USER MOD reduce.3.24.130724 H: found=0, std=0, add=1532, rem=0, adj=47 USER MOD reduce.3.24.130724 removed 1536 hydrogens (17 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 48 GLN :FLIP amide:sc= -3.34! C(o=-9.8!,f=-3.4!) USER MOD Set 1.2: A 157 ASN : amide:sc= -0.069 K(o=-3.4,f=-4.1) USER MOD Set 2.1: A 16 LYS NZ :NH3+ -155:sc= 2.51 (180deg=1.04) USER MOD Set 2.2: A 19 GLN : amide:sc= -0.739 K(o=2.7,f=-1.5!) USER MOD Set 2.3: A 61 TYR OH : rot -15:sc= 0.325 USER MOD Set 2.4: A 105 SER OG : rot -102:sc= 0.574 USER MOD Set 3.1: A 1 MET CE :methyl 139:sc= -2.38! (180deg=-3.51!) USER MOD Set 3.2: A 5 ASN : amide:sc= -1.83 K(o=-4.3,f=-13!) USER MOD Set 3.3: A 135 ASN : amide:sc= -0.0991 K(o=-4.3,f=-8.5!) USER MOD Single : A 1 MET N :NH3+ -162:sc= -0.0511 (180deg=-0.357) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= -0.621 K(o=-0.62,f=-1.6) USER MOD Single : A 4 SER OG : rot 147:sc= 1.26 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 160:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN :FLIP amide:sc= -0.0151 F(o=-1.1,f=-0.015) USER MOD Single : A 28 SER OG : rot -180:sc= 2 USER MOD Single : A 33 ASN :FLIP amide:sc= -0.518 F(o=-1.5,f=-0.52) USER MOD Single : A 35 THR OG1 : rot 49:sc= 0.351 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 167:sc= -0.506 USER MOD Single : A 47 LYS NZ :NH3+ -156:sc= 0.0155 (180deg=-1.42!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot -87:sc= 0.0953 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN :FLIP amide:sc= -2.74! C(o=-11!,f=-2.7!) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=-0.0032) USER MOD Single : A 75 THR OG1 : rot 180:sc= -4.28! USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.00599 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc=-0.00214 X(o=-0.0021,f=0) USER MOD Single : A 82 SER OG : rot -152:sc= 1.11 USER MOD Single : A 85 GLN : amide:sc= -2.09! C(o=-2.1!,f=-4.6!) USER MOD Single : A 88 ASN : amide:sc= 0.367 X(o=0.37,f=0) USER MOD Single : A 96 ASN :FLIP amide:sc= -0.354 F(o=-1.2,f=-0.35) USER MOD Single : A 111 CYS SG : rot 169:sc= -10.1! USER MOD Single : A 114 SER OG : rot 71:sc= 0.534 USER MOD Single : A 117 LYS NZ :NH3+ 158:sc= 0.0915 (180deg=-0.401) USER MOD Single : A 119 MET CE :methyl -154:sc= -4.15! (180deg=-6.95!) USER MOD Single : A 120 GLN : amide:sc= 0.259 K(o=0.26,f=-4.6!) USER MOD Single : A 124 SER OG : rot -110:sc= 1.02 USER MOD Single : A 130 MET CE :methyl -140:sc= -5.73! (180deg=-9.56!) USER MOD Single : A 132 THR OG1 : rot 84:sc= 0.223 USER MOD Single : A 133 TYR OH : rot -132:sc= 0.188 USER MOD Single : A 137 HIS :FLIP no HE2:sc= 0.128 F(o=-0.56,f=0.13) USER MOD Single : A 143 GLN : amide:sc= -1.74 K(o=-1.7,f=-7.8!) USER MOD Single : A 145 ASN :FLIP amide:sc= -0.461 F(o=-5.1!,f=-0.46) USER MOD Single : A 150 THR OG1 : rot -150:sc= 0 USER MOD Single : A 155 TYR OH : rot -7:sc= -4.35! USER MOD Single : A 158 ASN : amide:sc= -1.31 K(o=-1.3,f=-6.9!) USER MOD Single : A 163 SER OG : rot 180:sc= 0 USER MOD Single : A 165 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0802) USER MOD Single : A 167 GLN : amide:sc= -0.55 K(o=-0.55,f=-2.7!) USER MOD Single : A 172 HIS : no HD1:sc= -0.0677 X(o=-0.068,f=-0.082) USER MOD Single : A 173 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 174 HIS : no HD1:sc= -0.0904 X(o=-0.09,f=-0.1) USER MOD Single : A 175 HIS : no HD1:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 176 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 177 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 180 HIS : no HE2:sc= 0.792 K(o=0.79,f=-2.7!) USER MOD Single : A 181 HIS : no HD1:sc= 0 X(o=0,f=-0.002) USER MOD Single : A 182 HIS : no HD1:sc= -0.172 K(o=-0.17,f=-0.69) USER MOD Single : A 183 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 184 HIS : no HD1:sc= 0 X(o=0,f=-0.0084) USER MOD Single : A 185 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B1016 ASN : amide:sc= -0.0435 K(o=-0.044,f=-0.86) USER MOD Single : B1100 33B O62 : rot 180:sc= -4.71! USER MOD Single : B1100 33B O72 : rot 33:sc= 0.788 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.012 7.338 17.732 1.00 4.13 N ATOM 2 CA MET A 1 -0.606 7.193 16.393 1.00 3.61 C ATOM 3 C MET A 1 -0.102 8.286 15.464 1.00 2.48 C ATOM 4 O MET A 1 -0.218 9.474 15.766 1.00 2.89 O ATOM 5 CB MET A 1 -2.133 7.273 16.496 1.00 4.18 C ATOM 6 CG MET A 1 -2.757 6.144 17.300 1.00 4.89 C ATOM 7 SD MET A 1 -4.508 6.414 17.647 1.00 5.86 S ATOM 8 CE MET A 1 -5.190 6.482 15.993 1.00 6.21 C ATOM 0 H1 MET A 1 -0.086 6.446 18.258 1.00 4.13 H new ATOM 0 H2 MET A 1 1.021 7.569 17.626 1.00 4.13 H new ATOM 0 H3 MET A 1 -0.465 8.101 18.253 1.00 4.13 H new ATOM 0 HA MET A 1 -0.328 6.219 15.990 1.00 3.61 H new ATOM 0 HB2 MET A 1 -2.407 8.225 16.951 1.00 4.18 H new ATOM 0 HB3 MET A 1 -2.556 7.267 15.491 1.00 4.18 H new ATOM 0 HG2 MET A 1 -2.640 5.208 16.754 1.00 4.89 H new ATOM 0 HG3 MET A 1 -2.218 6.034 18.241 1.00 4.89 H new ATOM 0 HE1 MET A 1 -6.136 5.942 15.967 1.00 6.21 H new ATOM 0 HE2 MET A 1 -5.358 7.521 15.711 1.00 6.21 H new ATOM 0 HE3 MET A 1 -4.492 6.024 15.292 1.00 6.21 H new ATOM 20 N SER A 2 0.467 7.880 14.345 1.00 1.64 N ATOM 21 CA SER A 2 0.957 8.816 13.353 1.00 0.95 C ATOM 22 C SER A 2 -0.103 9.028 12.282 1.00 0.84 C ATOM 23 O SER A 2 -0.981 8.189 12.101 1.00 1.03 O ATOM 24 CB SER A 2 2.249 8.283 12.730 1.00 1.55 C ATOM 25 OG SER A 2 3.232 8.045 13.726 1.00 1.87 O ATOM 0 H SER A 2 0.602 6.899 14.100 1.00 1.64 H new ATOM 0 HA SER A 2 1.170 9.773 13.830 1.00 0.95 H new ATOM 0 HB2 SER A 2 2.042 7.359 12.189 1.00 1.55 H new ATOM 0 HB3 SER A 2 2.629 9.000 12.002 1.00 1.55 H new ATOM 0 HG SER A 2 4.048 7.703 13.305 1.00 1.87 H new ATOM 31 N GLN A 3 -0.032 10.150 11.584 1.00 0.73 N ATOM 32 CA GLN A 3 -0.990 10.440 10.527 1.00 0.73 C ATOM 33 C GLN A 3 -0.382 10.128 9.169 1.00 0.61 C ATOM 34 O GLN A 3 -1.068 10.138 8.157 1.00 0.64 O ATOM 35 CB GLN A 3 -1.454 11.901 10.578 1.00 0.83 C ATOM 36 CG GLN A 3 -2.277 12.242 11.812 1.00 1.13 C ATOM 37 CD GLN A 3 -1.444 12.335 13.075 1.00 1.76 C ATOM 38 OE1 GLN A 3 -0.280 12.743 13.042 1.00 2.42 O ATOM 39 NE2 GLN A 3 -2.020 11.937 14.194 1.00 2.22 N ATOM 0 H GLN A 3 0.674 10.872 11.728 1.00 0.73 H new ATOM 0 HA GLN A 3 -1.863 9.806 10.682 1.00 0.73 H new ATOM 0 HB2 GLN A 3 -0.580 12.551 10.545 1.00 0.83 H new ATOM 0 HB3 GLN A 3 -2.045 12.116 9.688 1.00 0.83 H new ATOM 0 HG2 GLN A 3 -2.788 13.191 11.650 1.00 1.13 H new ATOM 0 HG3 GLN A 3 -3.049 11.484 11.948 1.00 1.13 H new ATOM 0 HE21 GLN A 3 -2.985 11.606 14.181 1.00 2.22 H new ATOM 0 HE22 GLN A 3 -1.500 11.960 15.071 1.00 2.22 H new ATOM 48 N SER A 4 0.904 9.823 9.170 1.00 0.55 N ATOM 49 CA SER A 4 1.642 9.518 7.952 1.00 0.52 C ATOM 50 C SER A 4 1.066 8.305 7.221 1.00 0.45 C ATOM 51 O SER A 4 1.248 8.147 6.011 1.00 0.46 O ATOM 52 CB SER A 4 3.093 9.273 8.328 1.00 0.61 C ATOM 53 OG SER A 4 3.160 8.648 9.600 1.00 1.25 O ATOM 0 H SER A 4 1.470 9.779 10.018 1.00 0.55 H new ATOM 0 HA SER A 4 1.561 10.362 7.266 1.00 0.52 H new ATOM 0 HB2 SER A 4 3.572 8.644 7.578 1.00 0.61 H new ATOM 0 HB3 SER A 4 3.638 10.217 8.347 1.00 0.61 H new ATOM 0 HG SER A 4 3.924 8.035 9.623 1.00 1.25 H new ATOM 59 N ASN A 5 0.369 7.458 7.964 1.00 0.43 N ATOM 60 CA ASN A 5 -0.299 6.288 7.399 1.00 0.39 C ATOM 61 C ASN A 5 -1.453 6.699 6.493 1.00 0.35 C ATOM 62 O ASN A 5 -1.877 5.934 5.625 1.00 0.35 O ATOM 63 CB ASN A 5 -0.810 5.373 8.513 1.00 0.40 C ATOM 64 CG ASN A 5 -1.373 6.138 9.689 1.00 0.80 C ATOM 65 OD1 ASN A 5 -1.954 7.212 9.529 1.00 1.78 O ATOM 66 ND2 ASN A 5 -1.185 5.599 10.887 1.00 0.53 N ATOM 0 H ASN A 5 0.249 7.559 8.972 1.00 0.43 H new ATOM 0 HA ASN A 5 0.431 5.744 6.800 1.00 0.39 H new ATOM 0 HB2 ASN A 5 -1.581 4.715 8.111 1.00 0.40 H new ATOM 0 HB3 ASN A 5 0.005 4.736 8.857 1.00 0.40 H new ATOM 0 HD21 ASN A 5 -1.527 6.077 11.721 1.00 0.53 H new ATOM 0 HD22 ASN A 5 -0.698 4.707 10.974 1.00 0.53 H new ATOM 73 N ARG A 6 -1.958 7.908 6.705 1.00 0.35 N ATOM 74 CA ARG A 6 -2.994 8.472 5.853 1.00 0.34 C ATOM 75 C ARG A 6 -2.509 8.528 4.424 1.00 0.31 C ATOM 76 O ARG A 6 -3.185 8.076 3.504 1.00 0.30 O ATOM 77 CB ARG A 6 -3.347 9.886 6.303 1.00 0.41 C ATOM 78 CG ARG A 6 -4.384 10.542 5.416 1.00 0.59 C ATOM 79 CD ARG A 6 -5.694 9.796 5.513 1.00 0.41 C ATOM 80 NE ARG A 6 -6.334 10.048 6.803 1.00 0.68 N ATOM 81 CZ ARG A 6 -7.463 9.489 7.229 1.00 0.69 C ATOM 82 NH1 ARG A 6 -8.087 8.574 6.500 1.00 1.40 N ATOM 83 NH2 ARG A 6 -7.964 9.845 8.404 1.00 0.93 N ATOM 0 H ARG A 6 -1.663 8.520 7.466 1.00 0.35 H new ATOM 0 HA ARG A 6 -3.877 7.837 5.925 1.00 0.34 H new ATOM 0 HB2 ARG A 6 -3.719 9.854 7.327 1.00 0.41 H new ATOM 0 HB3 ARG A 6 -2.444 10.496 6.311 1.00 0.41 H new ATOM 0 HG2 ARG A 6 -4.525 11.581 5.714 1.00 0.59 H new ATOM 0 HG3 ARG A 6 -4.037 10.551 4.383 1.00 0.59 H new ATOM 0 HD2 ARG A 6 -6.357 10.107 4.705 1.00 0.41 H new ATOM 0 HD3 ARG A 6 -5.520 8.727 5.390 1.00 0.41 H new ATOM 0 HE ARG A 6 -5.875 10.709 7.430 1.00 0.68 H new ATOM 0 HH11 ARG A 6 -7.702 8.290 5.599 1.00 1.40 H new ATOM 0 HH12 ARG A 6 -8.952 8.154 6.840 1.00 1.40 H new ATOM 0 HH21 ARG A 6 -7.484 10.542 8.973 1.00 0.93 H new ATOM 0 HH22 ARG A 6 -8.829 9.422 8.739 1.00 0.93 H new ATOM 97 N GLU A 7 -1.330 9.096 4.273 1.00 0.30 N ATOM 98 CA GLU A 7 -0.686 9.271 2.982 1.00 0.29 C ATOM 99 C GLU A 7 -0.664 7.965 2.209 1.00 0.25 C ATOM 100 O GLU A 7 -1.128 7.898 1.079 1.00 0.26 O ATOM 101 CB GLU A 7 0.748 9.735 3.192 1.00 0.31 C ATOM 102 CG GLU A 7 0.874 10.977 4.046 1.00 0.40 C ATOM 103 CD GLU A 7 2.301 11.213 4.499 1.00 0.51 C ATOM 104 OE1 GLU A 7 3.215 11.045 3.673 1.00 0.68 O ATOM 105 OE2 GLU A 7 2.513 11.556 5.677 1.00 0.53 O ATOM 0 H GLU A 7 -0.782 9.455 5.054 1.00 0.30 H new ATOM 0 HA GLU A 7 -1.249 10.012 2.415 1.00 0.29 H new ATOM 0 HB2 GLU A 7 1.316 8.928 3.656 1.00 0.31 H new ATOM 0 HB3 GLU A 7 1.203 9.927 2.220 1.00 0.31 H new ATOM 0 HG2 GLU A 7 0.525 11.842 3.482 1.00 0.40 H new ATOM 0 HG3 GLU A 7 0.227 10.884 4.919 1.00 0.40 H new ATOM 112 N LEU A 8 -0.095 6.943 2.842 1.00 0.26 N ATOM 113 CA LEU A 8 -0.035 5.598 2.306 1.00 0.27 C ATOM 114 C LEU A 8 -1.369 5.186 1.688 1.00 0.28 C ATOM 115 O LEU A 8 -1.413 4.671 0.575 1.00 0.40 O ATOM 116 CB LEU A 8 0.349 4.648 3.443 1.00 0.34 C ATOM 117 CG LEU A 8 1.829 4.660 3.867 1.00 0.41 C ATOM 118 CD1 LEU A 8 2.433 6.059 3.907 1.00 1.00 C ATOM 119 CD2 LEU A 8 1.994 4.001 5.223 1.00 1.16 C ATOM 0 H LEU A 8 0.344 7.034 3.758 1.00 0.26 H new ATOM 0 HA LEU A 8 0.710 5.556 1.512 1.00 0.27 H new ATOM 0 HB2 LEU A 8 -0.259 4.892 4.314 1.00 0.34 H new ATOM 0 HB3 LEU A 8 0.086 3.633 3.145 1.00 0.34 H new ATOM 0 HG LEU A 8 2.368 4.098 3.105 1.00 0.41 H new ATOM 0 HD11 LEU A 8 3.477 5.996 4.213 1.00 1.00 H new ATOM 0 HD12 LEU A 8 2.372 6.510 2.917 1.00 1.00 H new ATOM 0 HD13 LEU A 8 1.882 6.673 4.620 1.00 1.00 H new ATOM 0 HD21 LEU A 8 3.046 4.017 5.510 1.00 1.16 H new ATOM 0 HD22 LEU A 8 1.407 4.543 5.965 1.00 1.16 H new ATOM 0 HD23 LEU A 8 1.648 2.969 5.170 1.00 1.16 H new ATOM 131 N VAL A 9 -2.451 5.453 2.404 1.00 0.23 N ATOM 132 CA VAL A 9 -3.783 5.149 1.915 1.00 0.23 C ATOM 133 C VAL A 9 -4.159 6.078 0.762 1.00 0.23 C ATOM 134 O VAL A 9 -4.397 5.634 -0.361 1.00 0.24 O ATOM 135 CB VAL A 9 -4.809 5.284 3.058 1.00 0.25 C ATOM 136 CG1 VAL A 9 -6.231 5.130 2.547 1.00 0.26 C ATOM 137 CG2 VAL A 9 -4.518 4.263 4.143 1.00 0.27 C ATOM 0 H VAL A 9 -2.430 5.881 3.329 1.00 0.23 H new ATOM 0 HA VAL A 9 -3.790 4.123 1.548 1.00 0.23 H new ATOM 0 HB VAL A 9 -4.717 6.285 3.480 1.00 0.25 H new ATOM 0 HG11 VAL A 9 -6.929 5.231 3.378 1.00 0.26 H new ATOM 0 HG12 VAL A 9 -6.437 5.902 1.805 1.00 0.26 H new ATOM 0 HG13 VAL A 9 -6.349 4.147 2.091 1.00 0.26 H new ATOM 0 HG21 VAL A 9 -5.248 4.367 4.946 1.00 0.27 H new ATOM 0 HG22 VAL A 9 -4.580 3.259 3.724 1.00 0.27 H new ATOM 0 HG23 VAL A 9 -3.517 4.429 4.540 1.00 0.27 H new ATOM 147 N VAL A 10 -4.185 7.370 1.056 1.00 0.23 N ATOM 148 CA VAL A 10 -4.620 8.395 0.107 1.00 0.25 C ATOM 149 C VAL A 10 -3.870 8.318 -1.219 1.00 0.25 C ATOM 150 O VAL A 10 -4.484 8.241 -2.288 1.00 0.27 O ATOM 151 CB VAL A 10 -4.411 9.790 0.717 1.00 0.28 C ATOM 152 CG1 VAL A 10 -4.846 10.879 -0.233 1.00 0.33 C ATOM 153 CG2 VAL A 10 -5.159 9.892 2.020 1.00 0.32 C ATOM 0 H VAL A 10 -3.904 7.743 1.963 1.00 0.23 H new ATOM 0 HA VAL A 10 -5.676 8.216 -0.094 1.00 0.25 H new ATOM 0 HB VAL A 10 -3.346 9.927 0.903 1.00 0.28 H new ATOM 0 HG11 VAL A 10 -4.684 11.852 0.231 1.00 0.33 H new ATOM 0 HG12 VAL A 10 -4.264 10.814 -1.152 1.00 0.33 H new ATOM 0 HG13 VAL A 10 -5.904 10.759 -0.464 1.00 0.33 H new ATOM 0 HG21 VAL A 10 -5.008 10.882 2.449 1.00 0.32 H new ATOM 0 HG22 VAL A 10 -6.222 9.731 1.843 1.00 0.32 H new ATOM 0 HG23 VAL A 10 -4.788 9.136 2.712 1.00 0.32 H new ATOM 163 N ASP A 11 -2.546 8.335 -1.128 1.00 0.26 N ATOM 164 CA ASP A 11 -1.674 8.359 -2.296 1.00 0.28 C ATOM 165 C ASP A 11 -1.995 7.212 -3.244 1.00 0.31 C ATOM 166 O ASP A 11 -1.935 7.367 -4.466 1.00 0.35 O ATOM 167 CB ASP A 11 -0.212 8.267 -1.849 1.00 0.32 C ATOM 168 CG ASP A 11 0.771 8.553 -2.965 1.00 0.39 C ATOM 169 OD1 ASP A 11 1.144 9.733 -3.138 1.00 0.59 O ATOM 170 OD2 ASP A 11 1.192 7.603 -3.657 1.00 0.49 O ATOM 0 H ASP A 11 -2.045 8.333 -0.239 1.00 0.26 H new ATOM 0 HA ASP A 11 -1.838 9.296 -2.827 1.00 0.28 H new ATOM 0 HB2 ASP A 11 -0.043 8.971 -1.035 1.00 0.32 H new ATOM 0 HB3 ASP A 11 -0.022 7.270 -1.452 1.00 0.32 H new ATOM 175 N PHE A 12 -2.367 6.069 -2.682 1.00 0.32 N ATOM 176 CA PHE A 12 -2.600 4.893 -3.494 1.00 0.38 C ATOM 177 C PHE A 12 -4.033 4.817 -3.994 1.00 0.34 C ATOM 178 O PHE A 12 -4.255 4.389 -5.121 1.00 0.39 O ATOM 179 CB PHE A 12 -2.252 3.623 -2.743 1.00 0.46 C ATOM 180 CG PHE A 12 -1.997 2.455 -3.655 1.00 0.76 C ATOM 181 CD1 PHE A 12 -0.884 2.420 -4.476 1.00 1.24 C ATOM 182 CD2 PHE A 12 -2.886 1.391 -3.692 1.00 0.98 C ATOM 183 CE1 PHE A 12 -0.660 1.345 -5.313 1.00 1.61 C ATOM 184 CE2 PHE A 12 -2.667 0.314 -4.529 1.00 1.38 C ATOM 185 CZ PHE A 12 -1.502 0.301 -5.340 1.00 1.61 C ATOM 0 H PHE A 12 -2.511 5.936 -1.681 1.00 0.32 H new ATOM 0 HA PHE A 12 -1.943 4.983 -4.359 1.00 0.38 H new ATOM 0 HB2 PHE A 12 -1.367 3.800 -2.131 1.00 0.46 H new ATOM 0 HB3 PHE A 12 -3.066 3.375 -2.062 1.00 0.46 H new ATOM 0 HD1 PHE A 12 -0.183 3.242 -4.462 1.00 1.24 H new ATOM 0 HD2 PHE A 12 -3.761 1.405 -3.058 1.00 0.98 H new ATOM 0 HE1 PHE A 12 0.207 1.345 -5.957 1.00 1.61 H new ATOM 0 HE2 PHE A 12 -3.371 -0.505 -4.566 1.00 1.38 H new ATOM 0 HZ PHE A 12 -1.294 -0.546 -5.977 1.00 1.61 H new ATOM 195 N LEU A 13 -5.016 5.219 -3.181 1.00 0.28 N ATOM 196 CA LEU A 13 -6.388 5.231 -3.670 1.00 0.28 C ATOM 197 C LEU A 13 -6.488 6.168 -4.864 1.00 0.30 C ATOM 198 O LEU A 13 -7.183 5.881 -5.838 1.00 0.34 O ATOM 199 CB LEU A 13 -7.391 5.634 -2.586 1.00 0.25 C ATOM 200 CG LEU A 13 -7.924 4.481 -1.732 1.00 0.26 C ATOM 201 CD1 LEU A 13 -7.067 4.260 -0.516 1.00 0.26 C ATOM 202 CD2 LEU A 13 -9.366 4.725 -1.320 1.00 0.27 C ATOM 0 H LEU A 13 -4.891 5.529 -2.217 1.00 0.28 H new ATOM 0 HA LEU A 13 -6.646 4.216 -3.972 1.00 0.28 H new ATOM 0 HB2 LEU A 13 -6.918 6.364 -1.929 1.00 0.25 H new ATOM 0 HB3 LEU A 13 -8.235 6.133 -3.062 1.00 0.25 H new ATOM 0 HG LEU A 13 -7.888 3.580 -2.345 1.00 0.26 H new ATOM 0 HD11 LEU A 13 -7.472 3.435 0.070 1.00 0.26 H new ATOM 0 HD12 LEU A 13 -6.050 4.020 -0.826 1.00 0.26 H new ATOM 0 HD13 LEU A 13 -7.057 5.165 0.091 1.00 0.26 H new ATOM 0 HD21 LEU A 13 -9.718 3.890 -0.714 1.00 0.27 H new ATOM 0 HD22 LEU A 13 -9.428 5.645 -0.739 1.00 0.27 H new ATOM 0 HD23 LEU A 13 -9.988 4.815 -2.210 1.00 0.27 H new ATOM 214 N SER A 14 -5.746 7.266 -4.796 1.00 0.29 N ATOM 215 CA SER A 14 -5.661 8.205 -5.908 1.00 0.33 C ATOM 216 C SER A 14 -5.029 7.531 -7.126 1.00 0.37 C ATOM 217 O SER A 14 -5.436 7.762 -8.266 1.00 0.42 O ATOM 218 CB SER A 14 -4.843 9.436 -5.500 1.00 0.33 C ATOM 219 OG SER A 14 -4.795 10.393 -6.545 1.00 1.05 O ATOM 0 H SER A 14 -5.193 7.529 -3.980 1.00 0.29 H new ATOM 0 HA SER A 14 -6.669 8.525 -6.171 1.00 0.33 H new ATOM 0 HB2 SER A 14 -5.281 9.888 -4.610 1.00 0.33 H new ATOM 0 HB3 SER A 14 -3.830 9.131 -5.237 1.00 0.33 H new ATOM 0 HG SER A 14 -4.268 11.167 -6.256 1.00 1.05 H new ATOM 225 N TYR A 15 -4.049 6.679 -6.866 1.00 0.37 N ATOM 226 CA TYR A 15 -3.354 5.953 -7.917 1.00 0.45 C ATOM 227 C TYR A 15 -4.265 4.879 -8.519 1.00 0.43 C ATOM 228 O TYR A 15 -4.106 4.490 -9.674 1.00 0.55 O ATOM 229 CB TYR A 15 -2.080 5.324 -7.339 1.00 0.52 C ATOM 230 CG TYR A 15 -1.209 4.619 -8.355 1.00 0.67 C ATOM 231 CD1 TYR A 15 -0.471 5.340 -9.284 1.00 0.72 C ATOM 232 CD2 TYR A 15 -1.119 3.234 -8.376 1.00 0.89 C ATOM 233 CE1 TYR A 15 0.331 4.701 -10.207 1.00 0.89 C ATOM 234 CE2 TYR A 15 -0.315 2.586 -9.295 1.00 1.06 C ATOM 235 CZ TYR A 15 0.407 3.325 -10.208 1.00 1.03 C ATOM 236 OH TYR A 15 1.209 2.683 -11.127 1.00 1.22 O ATOM 0 H TYR A 15 -3.715 6.472 -5.925 1.00 0.37 H new ATOM 0 HA TYR A 15 -3.081 6.644 -8.715 1.00 0.45 H new ATOM 0 HB2 TYR A 15 -1.492 6.104 -6.855 1.00 0.52 H new ATOM 0 HB3 TYR A 15 -2.362 4.611 -6.564 1.00 0.52 H new ATOM 0 HD1 TYR A 15 -0.526 6.419 -9.284 1.00 0.72 H new ATOM 0 HD2 TYR A 15 -1.686 2.654 -7.663 1.00 0.89 H new ATOM 0 HE1 TYR A 15 0.896 5.276 -10.925 1.00 0.89 H new ATOM 0 HE2 TYR A 15 -0.253 1.508 -9.298 1.00 1.06 H new ATOM 0 HH TYR A 15 1.151 1.714 -10.992 1.00 1.22 H new ATOM 246 N LYS A 16 -5.224 4.411 -7.730 1.00 0.33 N ATOM 247 CA LYS A 16 -6.146 3.380 -8.169 1.00 0.33 C ATOM 248 C LYS A 16 -7.206 3.924 -9.115 1.00 0.33 C ATOM 249 O LYS A 16 -7.528 3.294 -10.115 1.00 0.42 O ATOM 250 CB LYS A 16 -6.809 2.720 -6.965 1.00 0.34 C ATOM 251 CG LYS A 16 -5.839 1.968 -6.068 1.00 0.61 C ATOM 252 CD LYS A 16 -5.000 0.967 -6.847 1.00 0.57 C ATOM 253 CE LYS A 16 -5.834 0.232 -7.877 1.00 1.18 C ATOM 254 NZ LYS A 16 -5.278 -1.111 -8.195 1.00 1.41 N ATOM 0 H LYS A 16 -5.381 4.735 -6.776 1.00 0.33 H new ATOM 0 HA LYS A 16 -5.566 2.638 -8.718 1.00 0.33 H new ATOM 0 HB2 LYS A 16 -7.316 3.485 -6.376 1.00 0.34 H new ATOM 0 HB3 LYS A 16 -7.575 2.029 -7.317 1.00 0.34 H new ATOM 0 HG2 LYS A 16 -5.182 2.680 -5.568 1.00 0.61 H new ATOM 0 HG3 LYS A 16 -6.396 1.446 -5.290 1.00 0.61 H new ATOM 0 HD2 LYS A 16 -4.180 1.485 -7.343 1.00 0.57 H new ATOM 0 HD3 LYS A 16 -4.554 0.250 -6.158 1.00 0.57 H new ATOM 0 HE2 LYS A 16 -6.853 0.123 -7.506 1.00 1.18 H new ATOM 0 HE3 LYS A 16 -5.888 0.826 -8.789 1.00 1.18 H new ATOM 0 HZ1 LYS A 16 -5.583 -1.397 -9.147 1.00 1.41 H new ATOM 0 HZ2 LYS A 16 -4.239 -1.074 -8.161 1.00 1.41 H new ATOM 0 HZ3 LYS A 16 -5.622 -1.803 -7.499 1.00 1.41 H new ATOM 268 N LEU A 17 -7.758 5.086 -8.796 1.00 0.33 N ATOM 269 CA LEU A 17 -8.746 5.727 -9.675 1.00 0.32 C ATOM 270 C LEU A 17 -8.159 6.010 -11.058 1.00 0.35 C ATOM 271 O LEU A 17 -8.895 6.201 -12.025 1.00 0.36 O ATOM 272 CB LEU A 17 -9.271 7.041 -9.080 1.00 0.35 C ATOM 273 CG LEU A 17 -10.334 6.918 -7.980 1.00 0.53 C ATOM 274 CD1 LEU A 17 -10.917 5.515 -7.925 1.00 1.35 C ATOM 275 CD2 LEU A 17 -9.754 7.324 -6.638 1.00 1.15 C ATOM 0 H LEU A 17 -7.546 5.606 -7.945 1.00 0.33 H new ATOM 0 HA LEU A 17 -9.575 5.025 -9.769 1.00 0.32 H new ATOM 0 HB2 LEU A 17 -8.424 7.595 -8.675 1.00 0.35 H new ATOM 0 HB3 LEU A 17 -9.686 7.641 -9.890 1.00 0.35 H new ATOM 0 HG LEU A 17 -11.151 7.598 -8.221 1.00 0.53 H new ATOM 0 HD11 LEU A 17 -11.666 5.463 -7.135 1.00 1.35 H new ATOM 0 HD12 LEU A 17 -11.381 5.276 -8.882 1.00 1.35 H new ATOM 0 HD13 LEU A 17 -10.122 4.798 -7.718 1.00 1.35 H new ATOM 0 HD21 LEU A 17 -10.520 7.232 -5.868 1.00 1.15 H new ATOM 0 HD22 LEU A 17 -8.913 6.675 -6.394 1.00 1.15 H new ATOM 0 HD23 LEU A 17 -9.412 8.358 -6.687 1.00 1.15 H new ATOM 287 N SER A 18 -6.835 6.023 -11.141 1.00 0.41 N ATOM 288 CA SER A 18 -6.133 6.348 -12.380 1.00 0.48 C ATOM 289 C SER A 18 -6.477 5.375 -13.518 1.00 0.51 C ATOM 290 O SER A 18 -6.728 5.805 -14.642 1.00 0.58 O ATOM 291 CB SER A 18 -4.621 6.366 -12.138 1.00 0.57 C ATOM 292 OG SER A 18 -3.952 7.063 -13.174 1.00 0.94 O ATOM 0 H SER A 18 -6.218 5.810 -10.357 1.00 0.41 H new ATOM 0 HA SER A 18 -6.465 7.338 -12.692 1.00 0.48 H new ATOM 0 HB2 SER A 18 -4.408 6.839 -11.179 1.00 0.57 H new ATOM 0 HB3 SER A 18 -4.246 5.344 -12.080 1.00 0.57 H new ATOM 0 HG SER A 18 -2.988 7.063 -12.998 1.00 0.94 H new ATOM 298 N GLN A 19 -6.506 4.068 -13.230 1.00 0.52 N ATOM 299 CA GLN A 19 -6.822 3.055 -14.253 1.00 0.57 C ATOM 300 C GLN A 19 -8.262 3.162 -14.722 1.00 0.51 C ATOM 301 O GLN A 19 -8.672 2.531 -15.694 1.00 0.59 O ATOM 302 CB GLN A 19 -6.572 1.641 -13.732 1.00 0.68 C ATOM 303 CG GLN A 19 -6.959 1.463 -12.281 1.00 0.84 C ATOM 304 CD GLN A 19 -7.097 0.008 -11.868 1.00 0.97 C ATOM 305 OE1 GLN A 19 -6.670 -0.382 -10.782 1.00 1.37 O ATOM 306 NE2 GLN A 19 -7.781 -0.777 -12.681 1.00 1.19 N ATOM 0 H GLN A 19 -6.316 3.685 -12.304 1.00 0.52 H new ATOM 0 HA GLN A 19 -6.160 3.250 -15.096 1.00 0.57 H new ATOM 0 HB2 GLN A 19 -7.133 0.932 -14.341 1.00 0.68 H new ATOM 0 HB3 GLN A 19 -5.516 1.398 -13.852 1.00 0.68 H new ATOM 0 HG2 GLN A 19 -6.209 1.942 -11.651 1.00 0.84 H new ATOM 0 HG3 GLN A 19 -7.903 1.976 -12.099 1.00 0.84 H new ATOM 0 HE21 GLN A 19 -8.119 -0.417 -13.574 1.00 1.19 H new ATOM 0 HE22 GLN A 19 -7.972 -1.743 -12.416 1.00 1.19 H new ATOM 315 N LYS A 20 -9.022 3.957 -14.012 1.00 0.45 N ATOM 316 CA LYS A 20 -10.431 4.124 -14.292 1.00 0.49 C ATOM 317 C LYS A 20 -10.646 5.474 -14.942 1.00 0.48 C ATOM 318 O LYS A 20 -11.549 5.672 -15.753 1.00 0.53 O ATOM 319 CB LYS A 20 -11.211 4.007 -12.986 1.00 0.57 C ATOM 320 CG LYS A 20 -10.626 2.965 -12.060 1.00 0.49 C ATOM 321 CD LYS A 20 -10.702 1.577 -12.661 1.00 1.20 C ATOM 322 CE LYS A 20 -12.135 1.222 -13.040 1.00 1.75 C ATOM 323 NZ LYS A 20 -12.235 -0.085 -13.742 1.00 2.20 N ATOM 0 H LYS A 20 -8.684 4.508 -13.223 1.00 0.45 H new ATOM 0 HA LYS A 20 -10.785 3.352 -14.976 1.00 0.49 H new ATOM 0 HB2 LYS A 20 -11.219 4.974 -12.483 1.00 0.57 H new ATOM 0 HB3 LYS A 20 -12.248 3.753 -13.206 1.00 0.57 H new ATOM 0 HG2 LYS A 20 -9.586 3.212 -11.844 1.00 0.49 H new ATOM 0 HG3 LYS A 20 -11.161 2.980 -11.110 1.00 0.49 H new ATOM 0 HD2 LYS A 20 -10.065 1.524 -13.544 1.00 1.20 H new ATOM 0 HD3 LYS A 20 -10.319 0.847 -11.948 1.00 1.20 H new ATOM 0 HE2 LYS A 20 -12.749 1.194 -12.140 1.00 1.75 H new ATOM 0 HE3 LYS A 20 -12.542 2.005 -13.679 1.00 1.75 H new ATOM 0 HZ1 LYS A 20 -13.230 -0.278 -13.977 1.00 2.20 H new ATOM 0 HZ2 LYS A 20 -11.673 -0.053 -14.616 1.00 2.20 H new ATOM 0 HZ3 LYS A 20 -11.873 -0.839 -13.125 1.00 2.20 H new ATOM 337 N GLY A 21 -9.786 6.395 -14.572 1.00 0.45 N ATOM 338 CA GLY A 21 -9.785 7.706 -15.172 1.00 0.49 C ATOM 339 C GLY A 21 -10.501 8.712 -14.309 1.00 0.47 C ATOM 340 O GLY A 21 -10.911 9.772 -14.781 1.00 0.53 O ATOM 0 H GLY A 21 -9.075 6.257 -13.854 1.00 0.45 H new ATOM 0 HA2 GLY A 21 -8.758 8.031 -15.335 1.00 0.49 H new ATOM 0 HA3 GLY A 21 -10.263 7.659 -16.150 1.00 0.49 H new ATOM 344 N TYR A 22 -10.648 8.379 -13.040 1.00 0.40 N ATOM 345 CA TYR A 22 -11.335 9.242 -12.099 1.00 0.37 C ATOM 346 C TYR A 22 -10.346 9.983 -11.227 1.00 0.36 C ATOM 347 O TYR A 22 -9.175 9.609 -11.144 1.00 0.38 O ATOM 348 CB TYR A 22 -12.292 8.436 -11.228 1.00 0.34 C ATOM 349 CG TYR A 22 -13.500 7.933 -11.986 1.00 0.38 C ATOM 350 CD1 TYR A 22 -13.434 6.772 -12.743 1.00 0.50 C ATOM 351 CD2 TYR A 22 -14.709 8.616 -11.938 1.00 0.50 C ATOM 352 CE1 TYR A 22 -14.536 6.306 -13.433 1.00 0.60 C ATOM 353 CE2 TYR A 22 -15.816 8.156 -12.623 1.00 0.62 C ATOM 354 CZ TYR A 22 -15.717 7.017 -13.391 1.00 0.62 C ATOM 355 OH TYR A 22 -16.825 6.542 -14.054 1.00 0.76 O ATOM 0 H TYR A 22 -10.298 7.510 -12.636 1.00 0.40 H new ATOM 0 HA TYR A 22 -11.909 9.970 -12.672 1.00 0.37 H new ATOM 0 HB2 TYR A 22 -11.758 7.587 -10.801 1.00 0.34 H new ATOM 0 HB3 TYR A 22 -12.625 9.055 -10.395 1.00 0.34 H new ATOM 0 HD1 TYR A 22 -12.505 6.223 -12.794 1.00 0.50 H new ATOM 0 HD2 TYR A 22 -14.784 9.522 -11.355 1.00 0.50 H new ATOM 0 HE1 TYR A 22 -14.473 5.390 -14.002 1.00 0.60 H new ATOM 0 HE2 TYR A 22 -16.754 8.686 -12.557 1.00 0.62 H new ATOM 0 HH TYR A 22 -17.574 7.160 -13.923 1.00 0.76 H new ATOM 365 N SER A 23 -10.816 11.037 -10.588 1.00 0.37 N ATOM 366 CA SER A 23 -9.988 11.810 -9.702 1.00 0.39 C ATOM 367 C SER A 23 -10.220 11.395 -8.269 1.00 0.35 C ATOM 368 O SER A 23 -11.318 10.979 -7.893 1.00 0.34 O ATOM 369 CB SER A 23 -10.308 13.288 -9.845 1.00 0.45 C ATOM 370 OG SER A 23 -9.328 14.099 -9.221 1.00 0.52 O ATOM 0 H SER A 23 -11.775 11.374 -10.672 1.00 0.37 H new ATOM 0 HA SER A 23 -8.946 11.632 -9.967 1.00 0.39 H new ATOM 0 HB2 SER A 23 -10.374 13.545 -10.902 1.00 0.45 H new ATOM 0 HB3 SER A 23 -11.284 13.493 -9.405 1.00 0.45 H new ATOM 0 HG SER A 23 -9.372 15.007 -9.588 1.00 0.52 H new ATOM 376 N TRP A 24 -9.186 11.527 -7.475 1.00 0.37 N ATOM 377 CA TRP A 24 -9.280 11.286 -6.058 1.00 0.36 C ATOM 378 C TRP A 24 -9.936 12.475 -5.371 1.00 0.35 C ATOM 379 O TRP A 24 -10.933 12.329 -4.665 1.00 0.34 O ATOM 380 CB TRP A 24 -7.884 11.040 -5.491 1.00 0.45 C ATOM 381 CG TRP A 24 -7.821 11.077 -4.001 1.00 0.43 C ATOM 382 CD1 TRP A 24 -7.294 12.068 -3.224 1.00 0.96 C ATOM 383 CD2 TRP A 24 -8.310 10.082 -3.107 1.00 1.27 C ATOM 384 NE1 TRP A 24 -7.433 11.747 -1.897 1.00 0.61 N ATOM 385 CE2 TRP A 24 -8.051 10.531 -1.800 1.00 1.10 C ATOM 386 CE3 TRP A 24 -8.946 8.855 -3.283 1.00 2.43 C ATOM 387 CZ2 TRP A 24 -8.408 9.794 -0.679 1.00 2.00 C ATOM 388 CZ3 TRP A 24 -9.300 8.127 -2.169 1.00 3.36 C ATOM 389 CH2 TRP A 24 -9.030 8.598 -0.882 1.00 3.13 C ATOM 0 H TRP A 24 -8.257 11.804 -7.793 1.00 0.37 H new ATOM 0 HA TRP A 24 -9.894 10.404 -5.878 1.00 0.36 H new ATOM 0 HB2 TRP A 24 -7.529 10.069 -5.836 1.00 0.45 H new ATOM 0 HB3 TRP A 24 -7.202 11.790 -5.892 1.00 0.45 H new ATOM 0 HD1 TRP A 24 -6.835 12.971 -3.598 1.00 0.96 H new ATOM 0 HE1 TRP A 24 -7.126 12.321 -1.112 1.00 0.61 H new ATOM 0 HE3 TRP A 24 -9.157 8.482 -4.274 1.00 2.43 H new ATOM 0 HZ2 TRP A 24 -8.201 10.155 0.318 1.00 2.00 H new ATOM 0 HZ3 TRP A 24 -9.795 7.175 -2.293 1.00 3.36 H new ATOM 0 HH2 TRP A 24 -9.320 8.002 -0.029 1.00 3.13 H new ATOM 400 N SER A 25 -9.395 13.659 -5.624 1.00 0.39 N ATOM 401 CA SER A 25 -9.818 14.859 -4.923 1.00 0.44 C ATOM 402 C SER A 25 -11.242 15.277 -5.297 1.00 0.43 C ATOM 403 O SER A 25 -11.896 15.983 -4.532 1.00 0.49 O ATOM 404 CB SER A 25 -8.841 15.996 -5.208 1.00 0.53 C ATOM 405 OG SER A 25 -7.505 15.600 -4.937 1.00 1.37 O ATOM 0 H SER A 25 -8.659 13.812 -6.313 1.00 0.39 H new ATOM 0 HA SER A 25 -9.819 14.635 -3.856 1.00 0.44 H new ATOM 0 HB2 SER A 25 -8.929 16.303 -6.250 1.00 0.53 H new ATOM 0 HB3 SER A 25 -9.098 16.862 -4.598 1.00 0.53 H new ATOM 0 HG SER A 25 -6.898 16.345 -5.129 1.00 1.37 H new ATOM 411 N GLN A 26 -11.730 14.843 -6.459 1.00 0.40 N ATOM 412 CA GLN A 26 -13.093 15.176 -6.868 1.00 0.42 C ATOM 413 C GLN A 26 -14.131 14.507 -5.972 1.00 0.38 C ATOM 414 O GLN A 26 -15.244 15.011 -5.807 1.00 0.41 O ATOM 415 CB GLN A 26 -13.354 14.773 -8.316 1.00 0.47 C ATOM 416 CG GLN A 26 -12.609 15.628 -9.321 1.00 0.59 C ATOM 417 CD GLN A 26 -12.947 15.315 -10.765 1.00 0.73 C ATOM 418 OE1 GLN A 26 -14.161 14.871 -11.006 1.00 1.11 O flip ATOM 419 NE2 GLN A 26 -12.116 15.478 -11.656 1.00 1.10 N flip ATOM 0 H GLN A 26 -11.211 14.269 -7.124 1.00 0.40 H new ATOM 0 HA GLN A 26 -13.187 16.258 -6.773 1.00 0.42 H new ATOM 0 HB2 GLN A 26 -13.067 13.731 -8.453 1.00 0.47 H new ATOM 0 HB3 GLN A 26 -14.423 14.838 -8.517 1.00 0.47 H new ATOM 0 HG2 GLN A 26 -12.831 16.677 -9.126 1.00 0.59 H new ATOM 0 HG3 GLN A 26 -11.537 15.496 -9.172 1.00 0.59 H new ATOM 0 HE21 GLN A 26 -11.184 15.825 -11.427 1.00 1.10 H new ATOM 0 HE22 GLN A 26 -12.358 15.267 -12.624 1.00 1.10 H new ATOM 428 N PHE A 27 -13.765 13.371 -5.401 1.00 0.35 N ATOM 429 CA PHE A 27 -14.701 12.577 -4.623 1.00 0.38 C ATOM 430 C PHE A 27 -14.293 12.493 -3.155 1.00 0.43 C ATOM 431 O PHE A 27 -15.050 11.990 -2.320 1.00 0.67 O ATOM 432 CB PHE A 27 -14.792 11.175 -5.222 1.00 0.43 C ATOM 433 CG PHE A 27 -15.265 11.172 -6.649 1.00 0.67 C ATOM 434 CD1 PHE A 27 -16.499 11.703 -6.982 1.00 0.85 C ATOM 435 CD2 PHE A 27 -14.477 10.632 -7.653 1.00 0.94 C ATOM 436 CE1 PHE A 27 -16.939 11.701 -8.292 1.00 1.16 C ATOM 437 CE2 PHE A 27 -14.912 10.625 -8.965 1.00 1.20 C ATOM 438 CZ PHE A 27 -16.135 11.172 -9.288 1.00 1.28 C ATOM 0 H PHE A 27 -12.826 12.978 -5.462 1.00 0.35 H new ATOM 0 HA PHE A 27 -15.675 13.065 -4.662 1.00 0.38 H new ATOM 0 HB2 PHE A 27 -13.812 10.700 -5.169 1.00 0.43 H new ATOM 0 HB3 PHE A 27 -15.471 10.572 -4.619 1.00 0.43 H new ATOM 0 HD1 PHE A 27 -17.125 12.124 -6.209 1.00 0.85 H new ATOM 0 HD2 PHE A 27 -13.513 10.212 -7.408 1.00 0.94 H new ATOM 0 HE1 PHE A 27 -17.907 12.111 -8.539 1.00 1.16 H new ATOM 0 HE2 PHE A 27 -14.294 10.191 -9.737 1.00 1.20 H new ATOM 0 HZ PHE A 27 -16.466 11.188 -10.316 1.00 1.28 H new ATOM 448 N SER A 28 -13.104 12.980 -2.843 1.00 0.39 N ATOM 449 CA SER A 28 -12.573 12.852 -1.496 1.00 0.42 C ATOM 450 C SER A 28 -12.699 14.125 -0.685 1.00 0.58 C ATOM 451 O SER A 28 -12.741 15.228 -1.219 1.00 1.01 O ATOM 452 CB SER A 28 -11.126 12.404 -1.545 1.00 0.62 C ATOM 453 OG SER A 28 -11.023 11.174 -2.229 1.00 1.81 O ATOM 0 H SER A 28 -12.491 13.465 -3.499 1.00 0.39 H new ATOM 0 HA SER A 28 -13.176 12.098 -0.991 1.00 0.42 H new ATOM 0 HB2 SER A 28 -10.520 13.159 -2.045 1.00 0.62 H new ATOM 0 HB3 SER A 28 -10.735 12.300 -0.533 1.00 0.62 H new ATOM 0 HG SER A 28 -10.085 10.891 -2.255 1.00 1.81 H new ATOM 459 N ASP A 29 -12.742 13.926 0.617 1.00 0.63 N ATOM 460 CA ASP A 29 -12.871 14.995 1.591 1.00 0.84 C ATOM 461 C ASP A 29 -11.617 15.062 2.454 1.00 0.88 C ATOM 462 O ASP A 29 -11.339 16.072 3.097 1.00 1.03 O ATOM 463 CB ASP A 29 -14.098 14.709 2.457 1.00 1.04 C ATOM 464 CG ASP A 29 -14.231 15.622 3.663 1.00 1.69 C ATOM 465 OD1 ASP A 29 -13.536 15.380 4.671 1.00 2.31 O ATOM 466 OD2 ASP A 29 -15.005 16.602 3.599 1.00 1.85 O ATOM 0 H ASP A 29 -12.687 12.998 1.038 1.00 0.63 H new ATOM 0 HA ASP A 29 -12.990 15.954 1.087 1.00 0.84 H new ATOM 0 HB2 ASP A 29 -14.993 14.804 1.843 1.00 1.04 H new ATOM 0 HB3 ASP A 29 -14.055 13.675 2.800 1.00 1.04 H new ATOM 471 N VAL A 30 -10.835 13.993 2.371 1.00 0.80 N ATOM 472 CA VAL A 30 -9.727 13.715 3.285 1.00 0.82 C ATOM 473 C VAL A 30 -8.803 14.917 3.491 1.00 0.82 C ATOM 474 O VAL A 30 -8.835 15.553 4.542 1.00 0.92 O ATOM 475 CB VAL A 30 -8.919 12.514 2.744 1.00 0.81 C ATOM 476 CG1 VAL A 30 -9.633 11.210 3.053 1.00 0.89 C ATOM 477 CG2 VAL A 30 -8.720 12.647 1.242 1.00 0.76 C ATOM 0 H VAL A 30 -10.953 13.279 1.653 1.00 0.80 H new ATOM 0 HA VAL A 30 -10.156 13.485 4.260 1.00 0.82 H new ATOM 0 HB VAL A 30 -7.945 12.507 3.234 1.00 0.81 H new ATOM 0 HG11 VAL A 30 -9.050 10.375 2.665 1.00 0.89 H new ATOM 0 HG12 VAL A 30 -9.745 11.104 4.132 1.00 0.89 H new ATOM 0 HG13 VAL A 30 -10.617 11.214 2.584 1.00 0.89 H new ATOM 0 HG21 VAL A 30 -8.149 11.794 0.874 1.00 0.76 H new ATOM 0 HG22 VAL A 30 -9.691 12.675 0.747 1.00 0.76 H new ATOM 0 HG23 VAL A 30 -8.177 13.567 1.027 1.00 0.76 H new ATOM 487 N GLU A 31 -8.004 15.233 2.483 1.00 0.78 N ATOM 488 CA GLU A 31 -7.134 16.397 2.527 1.00 0.83 C ATOM 489 C GLU A 31 -7.852 17.593 1.919 1.00 0.88 C ATOM 490 O GLU A 31 -7.296 18.688 1.826 1.00 0.98 O ATOM 491 CB GLU A 31 -5.831 16.129 1.770 1.00 0.93 C ATOM 492 CG GLU A 31 -5.021 14.970 2.329 1.00 1.05 C ATOM 493 CD GLU A 31 -3.784 14.678 1.504 1.00 2.05 C ATOM 494 OE1 GLU A 31 -3.884 13.926 0.512 1.00 2.74 O ATOM 495 OE2 GLU A 31 -2.701 15.191 1.849 1.00 2.46 O ATOM 0 H GLU A 31 -7.941 14.695 1.619 1.00 0.78 H new ATOM 0 HA GLU A 31 -6.888 16.611 3.567 1.00 0.83 H new ATOM 0 HB2 GLU A 31 -6.065 15.925 0.725 1.00 0.93 H new ATOM 0 HB3 GLU A 31 -5.219 17.030 1.790 1.00 0.93 H new ATOM 0 HG2 GLU A 31 -4.726 15.197 3.353 1.00 1.05 H new ATOM 0 HG3 GLU A 31 -5.647 14.078 2.368 1.00 1.05 H new ATOM 502 N GLU A 32 -9.092 17.364 1.498 1.00 0.87 N ATOM 503 CA GLU A 32 -9.898 18.396 0.876 1.00 0.98 C ATOM 504 C GLU A 32 -10.181 19.520 1.865 1.00 1.09 C ATOM 505 O GLU A 32 -9.949 20.695 1.575 1.00 1.24 O ATOM 506 CB GLU A 32 -11.213 17.808 0.350 1.00 0.98 C ATOM 507 CG GLU A 32 -12.248 18.873 0.009 1.00 1.12 C ATOM 508 CD GLU A 32 -13.483 18.333 -0.685 1.00 1.20 C ATOM 509 OE1 GLU A 32 -14.311 17.676 -0.019 1.00 1.17 O ATOM 510 OE2 GLU A 32 -13.650 18.598 -1.896 1.00 1.45 O ATOM 0 H GLU A 32 -9.560 16.461 1.580 1.00 0.87 H new ATOM 0 HA GLU A 32 -9.340 18.806 0.034 1.00 0.98 H new ATOM 0 HB2 GLU A 32 -11.008 17.211 -0.539 1.00 0.98 H new ATOM 0 HB3 GLU A 32 -11.628 17.133 1.099 1.00 0.98 H new ATOM 0 HG2 GLU A 32 -12.551 19.378 0.926 1.00 1.12 H new ATOM 0 HG3 GLU A 32 -11.784 19.624 -0.630 1.00 1.12 H new ATOM 517 N ASN A 33 -10.667 19.150 3.038 1.00 1.09 N ATOM 518 CA ASN A 33 -11.050 20.125 4.044 1.00 1.27 C ATOM 519 C ASN A 33 -9.977 20.256 5.114 1.00 1.32 C ATOM 520 O ASN A 33 -9.210 21.222 5.120 1.00 1.68 O ATOM 521 CB ASN A 33 -12.386 19.731 4.665 1.00 1.36 C ATOM 522 CG ASN A 33 -13.552 19.999 3.737 1.00 1.48 C ATOM 523 OD1 ASN A 33 -13.823 19.060 2.851 1.00 1.87 O flip ATOM 524 ND2 ASN A 33 -14.192 21.048 3.810 1.00 1.35 N flip ATOM 0 H ASN A 33 -10.806 18.179 3.317 1.00 1.09 H new ATOM 0 HA ASN A 33 -11.157 21.097 3.562 1.00 1.27 H new ATOM 0 HB2 ASN A 33 -12.366 18.672 4.923 1.00 1.36 H new ATOM 0 HB3 ASN A 33 -12.529 20.283 5.594 1.00 1.36 H new ATOM 0 HD21 ASN A 33 -13.947 21.747 4.511 1.00 1.35 H new ATOM 0 HD22 ASN A 33 -14.967 21.218 3.169 1.00 1.35 H new ATOM 531 N ARG A 34 -9.908 19.277 6.006 1.00 1.22 N ATOM 532 CA ARG A 34 -8.934 19.308 7.086 1.00 1.29 C ATOM 533 C ARG A 34 -7.569 18.863 6.576 1.00 1.17 C ATOM 534 O ARG A 34 -7.465 18.231 5.524 1.00 1.24 O ATOM 535 CB ARG A 34 -9.378 18.411 8.245 1.00 1.50 C ATOM 536 CG ARG A 34 -9.346 16.925 7.924 1.00 1.52 C ATOM 537 CD ARG A 34 -9.876 16.096 9.081 1.00 1.91 C ATOM 538 NE ARG A 34 -9.069 16.257 10.289 1.00 2.18 N ATOM 539 CZ ARG A 34 -9.502 15.977 11.516 1.00 2.65 C ATOM 540 NH1 ARG A 34 -10.760 15.596 11.713 1.00 2.89 N ATOM 541 NH2 ARG A 34 -8.677 16.103 12.547 1.00 3.39 N ATOM 0 H ARG A 34 -10.512 18.455 6.003 1.00 1.22 H new ATOM 0 HA ARG A 34 -8.862 20.333 7.451 1.00 1.29 H new ATOM 0 HB2 ARG A 34 -8.735 18.601 9.105 1.00 1.50 H new ATOM 0 HB3 ARG A 34 -10.391 18.687 8.537 1.00 1.50 H new ATOM 0 HG2 ARG A 34 -9.942 16.731 7.032 1.00 1.52 H new ATOM 0 HG3 ARG A 34 -8.324 16.623 7.696 1.00 1.52 H new ATOM 0 HD2 ARG A 34 -10.905 16.386 9.292 1.00 1.91 H new ATOM 0 HD3 ARG A 34 -9.893 15.044 8.795 1.00 1.91 H new ATOM 0 HE ARG A 34 -8.116 16.605 10.185 1.00 2.18 H new ATOM 0 HH11 ARG A 34 -11.399 15.517 10.922 1.00 2.89 H new ATOM 0 HH12 ARG A 34 -11.087 15.383 12.655 1.00 2.89 H new ATOM 0 HH21 ARG A 34 -7.717 16.413 12.397 1.00 3.39 H new ATOM 0 HH22 ARG A 34 -9.003 15.890 13.490 1.00 3.39 H new ATOM 555 N THR A 35 -6.528 19.194 7.318 1.00 1.31 N ATOM 556 CA THR A 35 -5.182 18.807 6.947 1.00 1.39 C ATOM 557 C THR A 35 -4.462 18.156 8.115 1.00 1.34 C ATOM 558 O THR A 35 -3.951 18.830 9.015 1.00 1.55 O ATOM 559 CB THR A 35 -4.357 19.998 6.462 1.00 1.82 C ATOM 560 OG1 THR A 35 -4.462 21.081 7.395 1.00 2.05 O ATOM 561 CG2 THR A 35 -4.800 20.456 5.082 1.00 2.25 C ATOM 0 H THR A 35 -6.591 19.731 8.183 1.00 1.31 H new ATOM 0 HA THR A 35 -5.280 18.093 6.129 1.00 1.39 H new ATOM 0 HB THR A 35 -3.317 19.679 6.392 1.00 1.82 H new ATOM 0 HG1 THR A 35 -4.300 20.748 8.302 1.00 2.05 H new ATOM 0 HG21 THR A 35 -4.192 21.305 4.768 1.00 2.25 H new ATOM 0 HG22 THR A 35 -4.678 19.639 4.371 1.00 2.25 H new ATOM 0 HG23 THR A 35 -5.848 20.753 5.116 1.00 2.25 H new ATOM 569 N GLU A 36 -4.455 16.845 8.103 1.00 1.44 N ATOM 570 CA GLU A 36 -3.829 16.063 9.147 1.00 1.68 C ATOM 571 C GLU A 36 -2.415 15.663 8.758 1.00 1.43 C ATOM 572 O GLU A 36 -1.437 16.307 9.143 1.00 1.46 O ATOM 573 CB GLU A 36 -4.682 14.823 9.437 1.00 2.17 C ATOM 574 CG GLU A 36 -5.127 14.032 8.210 1.00 2.49 C ATOM 575 CD GLU A 36 -5.777 12.714 8.580 1.00 2.96 C ATOM 576 OE1 GLU A 36 -6.973 12.705 8.926 1.00 3.34 O ATOM 577 OE2 GLU A 36 -5.090 11.674 8.519 1.00 3.30 O ATOM 0 H GLU A 36 -4.885 16.286 7.366 1.00 1.44 H new ATOM 0 HA GLU A 36 -3.762 16.671 10.049 1.00 1.68 H new ATOM 0 HB2 GLU A 36 -4.117 14.159 10.091 1.00 2.17 H new ATOM 0 HB3 GLU A 36 -5.569 15.134 9.989 1.00 2.17 H new ATOM 0 HG2 GLU A 36 -5.829 14.631 7.630 1.00 2.49 H new ATOM 0 HG3 GLU A 36 -4.265 13.843 7.570 1.00 2.49 H new ATOM 584 N ALA A 37 -2.336 14.592 8.004 1.00 1.50 N ATOM 585 CA ALA A 37 -1.077 14.075 7.496 1.00 1.39 C ATOM 586 C ALA A 37 -0.390 15.064 6.567 1.00 1.27 C ATOM 587 O ALA A 37 -1.036 15.701 5.736 1.00 1.58 O ATOM 588 CB ALA A 37 -1.306 12.771 6.758 1.00 1.92 C ATOM 0 H ALA A 37 -3.150 14.046 7.720 1.00 1.50 H new ATOM 0 HA ALA A 37 -0.427 13.908 8.355 1.00 1.39 H new ATOM 0 HB1 ALA A 37 -0.355 12.394 6.382 1.00 1.92 H new ATOM 0 HB2 ALA A 37 -1.743 12.040 7.438 1.00 1.92 H new ATOM 0 HB3 ALA A 37 -1.985 12.940 5.922 1.00 1.92 H new ATOM 594 N PRO A 38 0.932 15.202 6.712 1.00 1.10 N ATOM 595 CA PRO A 38 1.758 16.002 5.806 1.00 1.43 C ATOM 596 C PRO A 38 1.722 15.457 4.380 1.00 1.79 C ATOM 597 O PRO A 38 1.150 14.396 4.123 1.00 1.87 O ATOM 598 CB PRO A 38 3.173 15.874 6.401 1.00 1.34 C ATOM 599 CG PRO A 38 2.955 15.446 7.806 1.00 1.26 C ATOM 600 CD PRO A 38 1.726 14.598 7.787 1.00 1.01 C ATOM 0 HA PRO A 38 1.412 17.033 5.731 1.00 1.43 H new ATOM 0 HB2 PRO A 38 3.768 15.144 5.853 1.00 1.34 H new ATOM 0 HB3 PRO A 38 3.709 16.822 6.355 1.00 1.34 H new ATOM 0 HG2 PRO A 38 3.811 14.885 8.181 1.00 1.26 H new ATOM 0 HG3 PRO A 38 2.826 16.307 8.462 1.00 1.26 H new ATOM 0 HD2 PRO A 38 1.958 13.553 7.580 1.00 1.01 H new ATOM 0 HD3 PRO A 38 1.201 14.625 8.742 1.00 1.01 H new ATOM 608 N GLU A 39 2.340 16.172 3.454 1.00 2.28 N ATOM 609 CA GLU A 39 2.371 15.738 2.064 1.00 2.76 C ATOM 610 C GLU A 39 3.339 14.569 1.887 1.00 2.66 C ATOM 611 O GLU A 39 3.409 13.957 0.822 1.00 3.08 O ATOM 612 CB GLU A 39 2.755 16.897 1.143 1.00 3.38 C ATOM 613 CG GLU A 39 4.103 17.520 1.461 1.00 3.52 C ATOM 614 CD GLU A 39 4.447 18.647 0.514 1.00 4.22 C ATOM 615 OE1 GLU A 39 4.900 18.362 -0.613 1.00 4.64 O ATOM 616 OE2 GLU A 39 4.254 19.824 0.886 1.00 4.44 O ATOM 0 H GLU A 39 2.825 17.051 3.636 1.00 2.28 H new ATOM 0 HA GLU A 39 1.371 15.401 1.790 1.00 2.76 H new ATOM 0 HB2 GLU A 39 2.765 16.541 0.113 1.00 3.38 H new ATOM 0 HB3 GLU A 39 1.987 17.667 1.206 1.00 3.38 H new ATOM 0 HG2 GLU A 39 4.096 17.896 2.484 1.00 3.52 H new ATOM 0 HG3 GLU A 39 4.877 16.754 1.409 1.00 3.52 H new ATOM 623 N GLY A 40 4.073 14.267 2.947 1.00 2.15 N ATOM 624 CA GLY A 40 5.016 13.172 2.922 1.00 2.04 C ATOM 625 C GLY A 40 6.050 13.307 4.010 1.00 1.57 C ATOM 626 O GLY A 40 7.222 13.554 3.728 1.00 1.75 O ATOM 0 H GLY A 40 4.030 14.769 3.834 1.00 2.15 H new ATOM 0 HA2 GLY A 40 4.483 12.229 3.041 1.00 2.04 H new ATOM 0 HA3 GLY A 40 5.510 13.139 1.951 1.00 2.04 H new ATOM 630 N THR A 41 5.625 13.143 5.258 1.00 1.12 N ATOM 631 CA THR A 41 6.517 13.389 6.378 1.00 0.86 C ATOM 632 C THR A 41 7.572 12.276 6.498 1.00 0.75 C ATOM 633 O THR A 41 8.723 12.474 6.118 1.00 0.85 O ATOM 634 CB THR A 41 5.724 13.554 7.700 1.00 0.80 C ATOM 635 OG1 THR A 41 6.611 13.577 8.826 1.00 0.95 O ATOM 636 CG2 THR A 41 4.685 12.457 7.879 1.00 0.91 C ATOM 0 H THR A 41 4.684 12.846 5.514 1.00 1.12 H new ATOM 0 HA THR A 41 7.041 14.326 6.188 1.00 0.86 H new ATOM 0 HB THR A 41 5.199 14.507 7.641 1.00 0.80 H new ATOM 0 HG1 THR A 41 6.091 13.684 9.650 1.00 0.95 H new ATOM 0 HG21 THR A 41 4.152 12.610 8.817 1.00 0.91 H new ATOM 0 HG22 THR A 41 3.977 12.488 7.051 1.00 0.91 H new ATOM 0 HG23 THR A 41 5.180 11.486 7.897 1.00 0.91 H new ATOM 644 N GLU A 42 7.184 11.108 6.996 1.00 0.69 N ATOM 645 CA GLU A 42 8.081 9.959 7.036 1.00 0.66 C ATOM 646 C GLU A 42 7.885 9.124 5.792 1.00 0.54 C ATOM 647 O GLU A 42 8.802 8.480 5.278 1.00 0.56 O ATOM 648 CB GLU A 42 7.805 9.091 8.266 1.00 0.74 C ATOM 649 CG GLU A 42 6.498 8.298 8.215 1.00 0.65 C ATOM 650 CD GLU A 42 6.319 7.420 9.437 1.00 1.20 C ATOM 651 OE1 GLU A 42 7.077 6.440 9.593 1.00 2.02 O ATOM 652 OE2 GLU A 42 5.435 7.720 10.263 1.00 1.17 O ATOM 0 H GLU A 42 6.255 10.931 7.378 1.00 0.69 H new ATOM 0 HA GLU A 42 9.106 10.327 7.088 1.00 0.66 H new ATOM 0 HB2 GLU A 42 8.632 8.392 8.393 1.00 0.74 H new ATOM 0 HB3 GLU A 42 7.790 9.731 9.148 1.00 0.74 H new ATOM 0 HG2 GLU A 42 5.658 8.988 8.138 1.00 0.65 H new ATOM 0 HG3 GLU A 42 6.485 7.678 7.318 1.00 0.65 H new ATOM 659 N SER A 43 6.660 9.169 5.327 1.00 0.48 N ATOM 660 CA SER A 43 6.170 8.259 4.326 1.00 0.43 C ATOM 661 C SER A 43 6.762 8.466 2.956 1.00 0.43 C ATOM 662 O SER A 43 6.623 7.601 2.122 1.00 0.49 O ATOM 663 CB SER A 43 4.672 8.366 4.230 1.00 0.50 C ATOM 664 OG SER A 43 4.058 7.969 5.443 1.00 1.25 O ATOM 0 H SER A 43 5.967 9.849 5.639 1.00 0.48 H new ATOM 0 HA SER A 43 6.479 7.266 4.653 1.00 0.43 H new ATOM 0 HB2 SER A 43 4.391 9.393 3.995 1.00 0.50 H new ATOM 0 HB3 SER A 43 4.310 7.741 3.413 1.00 0.50 H new ATOM 0 HG SER A 43 3.114 8.233 5.434 1.00 1.25 H new ATOM 670 N GLU A 44 7.374 9.602 2.708 1.00 0.46 N ATOM 671 CA GLU A 44 7.955 9.884 1.393 1.00 0.52 C ATOM 672 C GLU A 44 8.704 8.667 0.826 1.00 0.51 C ATOM 673 O GLU A 44 8.578 8.356 -0.352 1.00 0.58 O ATOM 674 CB GLU A 44 8.888 11.084 1.461 1.00 0.61 C ATOM 675 CG GLU A 44 9.481 11.453 0.115 1.00 0.72 C ATOM 676 CD GLU A 44 8.474 12.125 -0.798 1.00 1.17 C ATOM 677 OE1 GLU A 44 7.575 11.433 -1.320 1.00 1.29 O ATOM 678 OE2 GLU A 44 8.582 13.353 -0.998 1.00 1.91 O ATOM 0 H GLU A 44 7.488 10.351 3.391 1.00 0.46 H new ATOM 0 HA GLU A 44 7.129 10.113 0.720 1.00 0.52 H new ATOM 0 HB2 GLU A 44 8.341 11.940 1.857 1.00 0.61 H new ATOM 0 HB3 GLU A 44 9.696 10.870 2.161 1.00 0.61 H new ATOM 0 HG2 GLU A 44 10.331 12.119 0.266 1.00 0.72 H new ATOM 0 HG3 GLU A 44 9.863 10.554 -0.369 1.00 0.72 H new ATOM 685 N ALA A 45 9.460 7.970 1.667 1.00 0.48 N ATOM 686 CA ALA A 45 10.108 6.729 1.247 1.00 0.48 C ATOM 687 C ALA A 45 9.140 5.555 1.365 1.00 0.41 C ATOM 688 O ALA A 45 9.073 4.696 0.486 1.00 0.41 O ATOM 689 CB ALA A 45 11.362 6.478 2.072 1.00 0.52 C ATOM 0 H ALA A 45 9.639 8.238 2.635 1.00 0.48 H new ATOM 0 HA ALA A 45 10.400 6.827 0.202 1.00 0.48 H new ATOM 0 HB1 ALA A 45 11.832 5.550 1.746 1.00 0.52 H new ATOM 0 HB2 ALA A 45 12.059 7.305 1.936 1.00 0.52 H new ATOM 0 HB3 ALA A 45 11.094 6.399 3.126 1.00 0.52 H new ATOM 695 N VAL A 46 8.398 5.544 2.467 1.00 0.37 N ATOM 696 CA VAL A 46 7.340 4.568 2.733 1.00 0.34 C ATOM 697 C VAL A 46 6.418 4.385 1.527 1.00 0.34 C ATOM 698 O VAL A 46 6.379 3.325 0.920 1.00 0.39 O ATOM 699 CB VAL A 46 6.495 5.080 3.898 1.00 0.49 C ATOM 700 CG1 VAL A 46 5.265 4.253 4.143 1.00 1.41 C ATOM 701 CG2 VAL A 46 7.284 5.204 5.176 1.00 1.13 C ATOM 0 H VAL A 46 8.515 6.225 3.217 1.00 0.37 H new ATOM 0 HA VAL A 46 7.810 3.611 2.958 1.00 0.34 H new ATOM 0 HB VAL A 46 6.175 6.076 3.590 1.00 0.49 H new ATOM 0 HG11 VAL A 46 4.708 4.669 4.983 1.00 1.41 H new ATOM 0 HG12 VAL A 46 4.637 4.262 3.252 1.00 1.41 H new ATOM 0 HG13 VAL A 46 5.556 3.228 4.372 1.00 1.41 H new ATOM 0 HG21 VAL A 46 6.635 5.572 5.970 1.00 1.13 H new ATOM 0 HG22 VAL A 46 7.681 4.228 5.455 1.00 1.13 H new ATOM 0 HG23 VAL A 46 8.108 5.902 5.029 1.00 1.13 H new ATOM 711 N LYS A 47 5.673 5.436 1.206 1.00 0.34 N ATOM 712 CA LYS A 47 4.698 5.417 0.123 1.00 0.36 C ATOM 713 C LYS A 47 5.384 5.138 -1.205 1.00 0.39 C ATOM 714 O LYS A 47 4.845 4.428 -2.050 1.00 0.43 O ATOM 715 CB LYS A 47 3.964 6.756 0.058 1.00 0.38 C ATOM 716 CG LYS A 47 4.912 7.923 -0.112 1.00 0.49 C ATOM 717 CD LYS A 47 4.205 9.248 -0.216 1.00 0.47 C ATOM 718 CE LYS A 47 3.457 9.568 1.048 1.00 0.47 C ATOM 719 NZ LYS A 47 2.940 10.962 1.037 1.00 0.67 N ATOM 0 H LYS A 47 5.729 6.331 1.693 1.00 0.34 H new ATOM 0 HA LYS A 47 3.978 4.623 0.318 1.00 0.36 H new ATOM 0 HB2 LYS A 47 3.258 6.741 -0.772 1.00 0.38 H new ATOM 0 HB3 LYS A 47 3.382 6.893 0.969 1.00 0.38 H new ATOM 0 HG2 LYS A 47 5.600 7.950 0.733 1.00 0.49 H new ATOM 0 HG3 LYS A 47 5.513 7.767 -1.008 1.00 0.49 H new ATOM 0 HD2 LYS A 47 4.931 10.035 -0.421 1.00 0.47 H new ATOM 0 HD3 LYS A 47 3.511 9.228 -1.057 1.00 0.47 H new ATOM 0 HE2 LYS A 47 2.627 8.872 1.167 1.00 0.47 H new ATOM 0 HE3 LYS A 47 4.115 9.429 1.906 1.00 0.47 H new ATOM 0 HZ1 LYS A 47 2.802 11.289 2.015 1.00 0.67 H new ATOM 0 HZ2 LYS A 47 3.624 11.582 0.558 1.00 0.67 H new ATOM 0 HZ3 LYS A 47 2.032 10.992 0.530 1.00 0.67 H new ATOM 733 N GLN A 48 6.577 5.702 -1.381 1.00 0.40 N ATOM 734 CA GLN A 48 7.375 5.425 -2.574 1.00 0.46 C ATOM 735 C GLN A 48 7.687 3.942 -2.687 1.00 0.45 C ATOM 736 O GLN A 48 7.904 3.445 -3.776 1.00 0.50 O ATOM 737 CB GLN A 48 8.679 6.225 -2.598 1.00 0.52 C ATOM 738 CG GLN A 48 8.576 7.585 -3.273 1.00 0.58 C ATOM 739 CD GLN A 48 8.382 7.530 -4.785 1.00 0.67 C ATOM 740 OE1 GLN A 48 7.770 6.471 -5.291 1.00 0.99 O flip ATOM 741 NE2 GLN A 48 8.798 8.441 -5.501 1.00 0.63 N flip ATOM 0 H GLN A 48 7.009 6.347 -0.720 1.00 0.40 H new ATOM 0 HA GLN A 48 6.773 5.735 -3.428 1.00 0.46 H new ATOM 0 HB2 GLN A 48 9.021 6.368 -1.573 1.00 0.52 H new ATOM 0 HB3 GLN A 48 9.441 5.637 -3.109 1.00 0.52 H new ATOM 0 HG2 GLN A 48 7.743 8.132 -2.833 1.00 0.58 H new ATOM 0 HG3 GLN A 48 9.481 8.153 -3.056 1.00 0.58 H new ATOM 0 HE21 GLN A 48 9.266 9.245 -5.083 1.00 0.63 H new ATOM 0 HE22 GLN A 48 8.675 8.392 -6.512 1.00 0.63 H new ATOM 750 N ALA A 49 7.731 3.253 -1.557 1.00 0.42 N ATOM 751 CA ALA A 49 7.863 1.802 -1.550 1.00 0.41 C ATOM 752 C ALA A 49 6.501 1.144 -1.724 1.00 0.39 C ATOM 753 O ALA A 49 6.336 0.218 -2.519 1.00 0.42 O ATOM 754 CB ALA A 49 8.489 1.342 -0.249 1.00 0.42 C ATOM 0 H ALA A 49 7.677 3.675 -0.630 1.00 0.42 H new ATOM 0 HA ALA A 49 8.505 1.510 -2.381 1.00 0.41 H new ATOM 0 HB1 ALA A 49 8.583 0.256 -0.254 1.00 0.42 H new ATOM 0 HB2 ALA A 49 9.476 1.791 -0.141 1.00 0.42 H new ATOM 0 HB3 ALA A 49 7.859 1.647 0.586 1.00 0.42 H new ATOM 760 N LEU A 50 5.534 1.656 -0.971 1.00 0.38 N ATOM 761 CA LEU A 50 4.155 1.170 -0.977 1.00 0.40 C ATOM 762 C LEU A 50 3.603 1.035 -2.392 1.00 0.41 C ATOM 763 O LEU A 50 2.973 0.033 -2.718 1.00 0.43 O ATOM 764 CB LEU A 50 3.272 2.138 -0.168 1.00 0.45 C ATOM 765 CG LEU A 50 3.126 1.859 1.334 1.00 0.69 C ATOM 766 CD1 LEU A 50 1.795 1.202 1.652 1.00 1.33 C ATOM 767 CD2 LEU A 50 4.258 0.994 1.815 1.00 1.20 C ATOM 0 H LEU A 50 5.686 2.433 -0.328 1.00 0.38 H new ATOM 0 HA LEU A 50 4.146 0.179 -0.524 1.00 0.40 H new ATOM 0 HB2 LEU A 50 3.674 3.144 -0.288 1.00 0.45 H new ATOM 0 HB3 LEU A 50 2.276 2.138 -0.611 1.00 0.45 H new ATOM 0 HG LEU A 50 3.159 2.816 1.855 1.00 0.69 H new ATOM 0 HD11 LEU A 50 1.726 1.019 2.724 1.00 1.33 H new ATOM 0 HD12 LEU A 50 0.982 1.859 1.343 1.00 1.33 H new ATOM 0 HD13 LEU A 50 1.720 0.255 1.117 1.00 1.33 H new ATOM 0 HD21 LEU A 50 4.142 0.804 2.882 1.00 1.20 H new ATOM 0 HD22 LEU A 50 4.248 0.048 1.274 1.00 1.20 H new ATOM 0 HD23 LEU A 50 5.205 1.503 1.638 1.00 1.20 H new ATOM 779 N ARG A 51 3.880 2.011 -3.249 1.00 0.44 N ATOM 780 CA ARG A 51 3.238 2.066 -4.554 1.00 0.50 C ATOM 781 C ARG A 51 3.870 1.055 -5.485 1.00 0.52 C ATOM 782 O ARG A 51 3.232 0.540 -6.392 1.00 0.59 O ATOM 783 CB ARG A 51 3.357 3.468 -5.141 1.00 0.53 C ATOM 784 CG ARG A 51 4.754 4.045 -5.021 1.00 0.52 C ATOM 785 CD ARG A 51 4.891 5.335 -5.790 1.00 0.73 C ATOM 786 NE ARG A 51 3.839 6.300 -5.459 1.00 1.21 N ATOM 787 CZ ARG A 51 3.703 7.490 -6.045 1.00 1.63 C ATOM 788 NH1 ARG A 51 4.544 7.863 -7.002 1.00 1.96 N ATOM 789 NH2 ARG A 51 2.729 8.305 -5.669 1.00 2.17 N ATOM 0 H ARG A 51 4.539 2.768 -3.065 1.00 0.44 H new ATOM 0 HA ARG A 51 2.181 1.825 -4.437 1.00 0.50 H new ATOM 0 HB2 ARG A 51 3.070 3.441 -6.192 1.00 0.53 H new ATOM 0 HB3 ARG A 51 2.653 4.128 -4.635 1.00 0.53 H new ATOM 0 HG2 ARG A 51 4.986 4.221 -3.971 1.00 0.52 H new ATOM 0 HG3 ARG A 51 5.480 3.321 -5.391 1.00 0.52 H new ATOM 0 HD2 ARG A 51 5.865 5.778 -5.580 1.00 0.73 H new ATOM 0 HD3 ARG A 51 4.861 5.122 -6.859 1.00 0.73 H new ATOM 0 HE ARG A 51 3.168 6.045 -4.734 1.00 1.21 H new ATOM 0 HH11 ARG A 51 5.297 7.239 -7.291 1.00 1.96 H new ATOM 0 HH12 ARG A 51 4.437 8.774 -7.448 1.00 1.96 H new ATOM 0 HH21 ARG A 51 2.084 8.022 -4.932 1.00 2.17 H new ATOM 0 HH22 ARG A 51 2.624 9.215 -6.117 1.00 2.17 H new ATOM 803 N GLU A 52 5.130 0.778 -5.229 1.00 0.49 N ATOM 804 CA GLU A 52 5.894 -0.182 -6.001 1.00 0.54 C ATOM 805 C GLU A 52 5.530 -1.600 -5.584 1.00 0.53 C ATOM 806 O GLU A 52 5.328 -2.477 -6.427 1.00 0.58 O ATOM 807 CB GLU A 52 7.368 0.089 -5.763 1.00 0.59 C ATOM 808 CG GLU A 52 7.691 1.568 -5.831 1.00 0.63 C ATOM 809 CD GLU A 52 7.758 2.100 -7.247 1.00 0.87 C ATOM 810 OE1 GLU A 52 8.338 1.415 -8.114 1.00 1.10 O ATOM 811 OE2 GLU A 52 7.216 3.197 -7.500 1.00 1.07 O ATOM 0 H GLU A 52 5.658 1.215 -4.474 1.00 0.49 H new ATOM 0 HA GLU A 52 5.668 -0.082 -7.063 1.00 0.54 H new ATOM 0 HB2 GLU A 52 7.655 -0.300 -4.786 1.00 0.59 H new ATOM 0 HB3 GLU A 52 7.960 -0.446 -6.506 1.00 0.59 H new ATOM 0 HG2 GLU A 52 6.935 2.124 -5.276 1.00 0.63 H new ATOM 0 HG3 GLU A 52 8.646 1.748 -5.337 1.00 0.63 H new ATOM 818 N ALA A 53 5.437 -1.809 -4.275 1.00 0.49 N ATOM 819 CA ALA A 53 4.980 -3.078 -3.731 1.00 0.48 C ATOM 820 C ALA A 53 3.542 -3.329 -4.155 1.00 0.49 C ATOM 821 O ALA A 53 3.180 -4.435 -4.563 1.00 0.53 O ATOM 822 CB ALA A 53 5.100 -3.072 -2.212 1.00 0.45 C ATOM 0 H ALA A 53 5.674 -1.111 -3.570 1.00 0.49 H new ATOM 0 HA ALA A 53 5.605 -3.882 -4.120 1.00 0.48 H new ATOM 0 HB1 ALA A 53 4.755 -4.027 -1.816 1.00 0.45 H new ATOM 0 HB2 ALA A 53 6.141 -2.917 -1.930 1.00 0.45 H new ATOM 0 HB3 ALA A 53 4.490 -2.267 -1.802 1.00 0.45 H new ATOM 828 N GLY A 54 2.729 -2.283 -4.070 1.00 0.49 N ATOM 829 CA GLY A 54 1.366 -2.358 -4.541 1.00 0.53 C ATOM 830 C GLY A 54 1.308 -2.617 -6.031 1.00 0.60 C ATOM 831 O GLY A 54 0.510 -3.423 -6.484 1.00 0.70 O ATOM 0 H GLY A 54 2.996 -1.379 -3.680 1.00 0.49 H new ATOM 0 HA2 GLY A 54 0.840 -3.153 -4.012 1.00 0.53 H new ATOM 0 HA3 GLY A 54 0.849 -1.426 -4.312 1.00 0.53 H new ATOM 835 N ASP A 55 2.185 -1.948 -6.779 1.00 0.61 N ATOM 836 CA ASP A 55 2.270 -2.105 -8.236 1.00 0.69 C ATOM 837 C ASP A 55 2.407 -3.572 -8.623 1.00 0.70 C ATOM 838 O ASP A 55 1.823 -4.014 -9.603 1.00 0.79 O ATOM 839 CB ASP A 55 3.469 -1.322 -8.781 1.00 0.73 C ATOM 840 CG ASP A 55 3.577 -1.355 -10.295 1.00 0.85 C ATOM 841 OD1 ASP A 55 2.910 -0.534 -10.961 1.00 1.04 O ATOM 842 OD2 ASP A 55 4.304 -2.221 -10.828 1.00 0.82 O ATOM 0 H ASP A 55 2.856 -1.283 -6.396 1.00 0.61 H new ATOM 0 HA ASP A 55 1.349 -1.715 -8.669 1.00 0.69 H new ATOM 0 HB2 ASP A 55 3.395 -0.285 -8.453 1.00 0.73 H new ATOM 0 HB3 ASP A 55 4.384 -1.728 -8.351 1.00 0.73 H new ATOM 847 N GLU A 56 3.186 -4.312 -7.843 1.00 0.66 N ATOM 848 CA GLU A 56 3.392 -5.744 -8.058 1.00 0.74 C ATOM 849 C GLU A 56 2.231 -6.563 -7.511 1.00 0.77 C ATOM 850 O GLU A 56 1.963 -7.669 -7.977 1.00 0.88 O ATOM 851 CB GLU A 56 4.699 -6.189 -7.401 1.00 0.79 C ATOM 852 CG GLU A 56 5.940 -5.593 -8.042 1.00 1.24 C ATOM 853 CD GLU A 56 7.220 -6.122 -7.430 1.00 1.52 C ATOM 854 OE1 GLU A 56 7.422 -7.354 -7.425 1.00 1.43 O ATOM 855 OE2 GLU A 56 8.027 -5.303 -6.934 1.00 2.29 O ATOM 0 H GLU A 56 3.694 -3.938 -7.042 1.00 0.66 H new ATOM 0 HA GLU A 56 3.448 -5.916 -9.133 1.00 0.74 H new ATOM 0 HB2 GLU A 56 4.677 -5.913 -6.347 1.00 0.79 H new ATOM 0 HB3 GLU A 56 4.765 -7.276 -7.444 1.00 0.79 H new ATOM 0 HG2 GLU A 56 5.934 -5.812 -9.110 1.00 1.24 H new ATOM 0 HG3 GLU A 56 5.913 -4.508 -7.939 1.00 1.24 H new ATOM 862 N PHE A 57 1.559 -6.035 -6.511 1.00 0.71 N ATOM 863 CA PHE A 57 0.452 -6.744 -5.897 1.00 0.75 C ATOM 864 C PHE A 57 -0.830 -6.590 -6.720 1.00 0.78 C ATOM 865 O PHE A 57 -1.693 -7.466 -6.696 1.00 0.91 O ATOM 866 CB PHE A 57 0.227 -6.248 -4.469 1.00 0.76 C ATOM 867 CG PHE A 57 -0.176 -7.349 -3.534 1.00 1.09 C ATOM 868 CD1 PHE A 57 -1.483 -7.803 -3.497 1.00 1.71 C ATOM 869 CD2 PHE A 57 0.761 -7.944 -2.707 1.00 1.37 C ATOM 870 CE1 PHE A 57 -1.848 -8.828 -2.650 1.00 2.29 C ATOM 871 CE2 PHE A 57 0.401 -8.967 -1.855 1.00 1.79 C ATOM 872 CZ PHE A 57 -0.906 -9.411 -1.828 1.00 2.20 C ATOM 0 H PHE A 57 1.757 -5.120 -6.105 1.00 0.71 H new ATOM 0 HA PHE A 57 0.709 -7.803 -5.866 1.00 0.75 H new ATOM 0 HB2 PHE A 57 1.141 -5.781 -4.102 1.00 0.76 H new ATOM 0 HB3 PHE A 57 -0.545 -5.478 -4.473 1.00 0.76 H new ATOM 0 HD1 PHE A 57 -2.225 -7.350 -4.138 1.00 1.71 H new ATOM 0 HD2 PHE A 57 1.786 -7.603 -2.729 1.00 1.37 H new ATOM 0 HE1 PHE A 57 -2.871 -9.174 -2.630 1.00 2.29 H new ATOM 0 HE2 PHE A 57 1.140 -9.420 -1.210 1.00 1.79 H new ATOM 0 HZ PHE A 57 -1.191 -10.214 -1.164 1.00 2.20 H new ATOM 882 N GLU A 58 -0.938 -5.484 -7.455 1.00 0.73 N ATOM 883 CA GLU A 58 -2.146 -5.182 -8.226 1.00 0.82 C ATOM 884 C GLU A 58 -2.494 -6.296 -9.192 1.00 0.82 C ATOM 885 O GLU A 58 -3.519 -6.943 -9.040 1.00 0.89 O ATOM 886 CB GLU A 58 -1.999 -3.886 -9.008 1.00 0.86 C ATOM 887 CG GLU A 58 -1.752 -2.676 -8.145 1.00 0.91 C ATOM 888 CD GLU A 58 -1.754 -1.401 -8.952 1.00 0.93 C ATOM 889 OE1 GLU A 58 -0.773 -1.153 -9.679 1.00 1.24 O ATOM 890 OE2 GLU A 58 -2.760 -0.663 -8.898 1.00 1.30 O ATOM 0 H GLU A 58 -0.203 -4.781 -7.534 1.00 0.73 H new ATOM 0 HA GLU A 58 -2.951 -5.078 -7.498 1.00 0.82 H new ATOM 0 HB2 GLU A 58 -1.175 -3.991 -9.714 1.00 0.86 H new ATOM 0 HB3 GLU A 58 -2.903 -3.723 -9.595 1.00 0.86 H new ATOM 0 HG2 GLU A 58 -2.519 -2.618 -7.372 1.00 0.91 H new ATOM 0 HG3 GLU A 58 -0.794 -2.782 -7.636 1.00 0.91 H new ATOM 897 N LEU A 59 -1.633 -6.515 -10.178 1.00 0.81 N ATOM 898 CA LEU A 59 -1.851 -7.533 -11.198 1.00 0.87 C ATOM 899 C LEU A 59 -2.152 -8.883 -10.575 1.00 0.85 C ATOM 900 O LEU A 59 -2.945 -9.662 -11.108 1.00 0.96 O ATOM 901 CB LEU A 59 -0.651 -7.629 -12.166 1.00 0.96 C ATOM 902 CG LEU A 59 0.783 -7.675 -11.585 1.00 1.06 C ATOM 903 CD1 LEU A 59 1.082 -6.520 -10.680 1.00 1.54 C ATOM 904 CD2 LEU A 59 1.100 -8.974 -10.878 1.00 1.46 C ATOM 0 H LEU A 59 -0.765 -5.992 -10.293 1.00 0.81 H new ATOM 0 HA LEU A 59 -2.723 -7.229 -11.777 1.00 0.87 H new ATOM 0 HB2 LEU A 59 -0.789 -8.524 -12.772 1.00 0.96 H new ATOM 0 HB3 LEU A 59 -0.705 -6.775 -12.841 1.00 0.96 H new ATOM 0 HG LEU A 59 1.431 -7.603 -12.458 1.00 1.06 H new ATOM 0 HD11 LEU A 59 2.101 -6.607 -10.304 1.00 1.54 H new ATOM 0 HD12 LEU A 59 0.978 -5.587 -11.234 1.00 1.54 H new ATOM 0 HD13 LEU A 59 0.384 -6.524 -9.842 1.00 1.54 H new ATOM 0 HD21 LEU A 59 2.120 -8.940 -10.495 1.00 1.46 H new ATOM 0 HD22 LEU A 59 0.406 -9.116 -10.050 1.00 1.46 H new ATOM 0 HD23 LEU A 59 1.003 -9.803 -11.579 1.00 1.46 H new ATOM 916 N ARG A 60 -1.509 -9.149 -9.450 1.00 0.83 N ATOM 917 CA ARG A 60 -1.762 -10.364 -8.692 1.00 0.90 C ATOM 918 C ARG A 60 -3.254 -10.545 -8.390 1.00 0.98 C ATOM 919 O ARG A 60 -3.839 -11.571 -8.734 1.00 1.15 O ATOM 920 CB ARG A 60 -0.951 -10.382 -7.394 1.00 1.03 C ATOM 921 CG ARG A 60 0.499 -10.782 -7.596 1.00 1.00 C ATOM 922 CD ARG A 60 1.268 -10.792 -6.286 1.00 1.07 C ATOM 923 NE ARG A 60 2.562 -11.459 -6.430 1.00 1.41 N ATOM 924 CZ ARG A 60 3.733 -10.909 -6.113 1.00 1.94 C ATOM 925 NH1 ARG A 60 3.779 -9.675 -5.627 1.00 2.43 N ATOM 926 NH2 ARG A 60 4.858 -11.600 -6.281 1.00 2.58 N ATOM 0 H ARG A 60 -0.804 -8.536 -9.040 1.00 0.83 H new ATOM 0 HA ARG A 60 -1.442 -11.201 -9.313 1.00 0.90 H new ATOM 0 HB2 ARG A 60 -0.987 -9.393 -6.938 1.00 1.03 H new ATOM 0 HB3 ARG A 60 -1.417 -11.074 -6.692 1.00 1.03 H new ATOM 0 HG2 ARG A 60 0.543 -11.771 -8.051 1.00 1.00 H new ATOM 0 HG3 ARG A 60 0.974 -10.090 -8.291 1.00 1.00 H new ATOM 0 HD2 ARG A 60 1.421 -9.768 -5.945 1.00 1.07 H new ATOM 0 HD3 ARG A 60 0.679 -11.298 -5.521 1.00 1.07 H new ATOM 0 HE ARG A 60 2.568 -12.410 -6.798 1.00 1.41 H new ATOM 0 HH11 ARG A 60 2.917 -9.146 -5.496 1.00 2.43 H new ATOM 0 HH12 ARG A 60 4.677 -9.255 -5.385 1.00 2.43 H new ATOM 0 HH21 ARG A 60 4.823 -12.549 -6.652 1.00 2.58 H new ATOM 0 HH22 ARG A 60 5.755 -11.180 -6.039 1.00 2.58 H new ATOM 940 N TYR A 61 -3.880 -9.549 -7.767 1.00 1.04 N ATOM 941 CA TYR A 61 -5.289 -9.670 -7.395 1.00 1.26 C ATOM 942 C TYR A 61 -6.213 -9.152 -8.498 1.00 1.32 C ATOM 943 O TYR A 61 -7.389 -9.500 -8.536 1.00 1.59 O ATOM 944 CB TYR A 61 -5.583 -8.942 -6.070 1.00 1.52 C ATOM 945 CG TYR A 61 -5.636 -7.425 -6.164 1.00 2.19 C ATOM 946 CD1 TYR A 61 -4.485 -6.658 -6.008 1.00 2.70 C ATOM 947 CD2 TYR A 61 -6.827 -6.764 -6.425 1.00 2.84 C ATOM 948 CE1 TYR A 61 -4.526 -5.279 -6.103 1.00 3.67 C ATOM 949 CE2 TYR A 61 -6.874 -5.386 -6.524 1.00 3.86 C ATOM 950 CZ TYR A 61 -5.741 -4.645 -6.312 1.00 4.23 C ATOM 951 OH TYR A 61 -5.768 -3.271 -6.465 1.00 5.32 O ATOM 0 H TYR A 61 -3.444 -8.663 -7.512 1.00 1.04 H new ATOM 0 HA TYR A 61 -5.489 -10.733 -7.258 1.00 1.26 H new ATOM 0 HB2 TYR A 61 -6.536 -9.300 -5.681 1.00 1.52 H new ATOM 0 HB3 TYR A 61 -4.818 -9.219 -5.344 1.00 1.52 H new ATOM 0 HD1 TYR A 61 -3.543 -7.148 -5.809 1.00 2.70 H new ATOM 0 HD2 TYR A 61 -7.734 -7.336 -6.553 1.00 2.84 H new ATOM 0 HE1 TYR A 61 -3.618 -4.700 -6.015 1.00 3.67 H new ATOM 0 HE2 TYR A 61 -7.804 -4.893 -6.768 1.00 3.86 H new ATOM 0 HH TYR A 61 -4.916 -2.892 -6.165 1.00 5.32 H new ATOM 961 N ARG A 62 -5.671 -8.333 -9.395 1.00 1.28 N ATOM 962 CA ARG A 62 -6.458 -7.671 -10.440 1.00 1.39 C ATOM 963 C ARG A 62 -7.174 -8.684 -11.329 1.00 1.07 C ATOM 964 O ARG A 62 -8.255 -8.406 -11.849 1.00 1.30 O ATOM 965 CB ARG A 62 -5.552 -6.772 -11.289 1.00 1.72 C ATOM 966 CG ARG A 62 -6.302 -5.838 -12.230 1.00 2.15 C ATOM 967 CD ARG A 62 -5.346 -4.899 -12.952 1.00 2.51 C ATOM 968 NE ARG A 62 -6.047 -3.937 -13.805 1.00 3.10 N ATOM 969 CZ ARG A 62 -5.454 -2.901 -14.406 1.00 3.59 C ATOM 970 NH1 ARG A 62 -4.163 -2.659 -14.208 1.00 3.59 N ATOM 971 NH2 ARG A 62 -6.158 -2.100 -15.195 1.00 4.48 N ATOM 0 H ARG A 62 -4.677 -8.108 -9.421 1.00 1.28 H new ATOM 0 HA ARG A 62 -7.218 -7.061 -9.951 1.00 1.39 H new ATOM 0 HB2 ARG A 62 -4.927 -6.175 -10.625 1.00 1.72 H new ATOM 0 HB3 ARG A 62 -4.883 -7.401 -11.877 1.00 1.72 H new ATOM 0 HG2 ARG A 62 -6.860 -6.424 -12.960 1.00 2.15 H new ATOM 0 HG3 ARG A 62 -7.030 -5.256 -11.665 1.00 2.15 H new ATOM 0 HD2 ARG A 62 -4.746 -4.360 -12.218 1.00 2.51 H new ATOM 0 HD3 ARG A 62 -4.656 -5.484 -13.560 1.00 2.51 H new ATOM 0 HE ARG A 62 -7.049 -4.065 -13.949 1.00 3.10 H new ATOM 0 HH11 ARG A 62 -3.619 -3.265 -13.595 1.00 3.59 H new ATOM 0 HH12 ARG A 62 -3.716 -1.867 -14.669 1.00 3.59 H new ATOM 0 HH21 ARG A 62 -7.152 -2.275 -15.343 1.00 4.48 H new ATOM 0 HH22 ARG A 62 -5.705 -1.309 -15.654 1.00 4.48 H new ATOM 985 N ARG A 63 -6.577 -9.860 -11.487 1.00 0.98 N ATOM 986 CA ARG A 63 -7.175 -10.921 -12.292 1.00 1.19 C ATOM 987 C ARG A 63 -8.506 -11.366 -11.694 1.00 1.20 C ATOM 988 O ARG A 63 -9.452 -11.672 -12.416 1.00 1.45 O ATOM 989 CB ARG A 63 -6.226 -12.115 -12.399 1.00 1.61 C ATOM 990 CG ARG A 63 -4.911 -11.787 -13.085 1.00 2.18 C ATOM 991 CD ARG A 63 -5.121 -11.332 -14.521 1.00 2.52 C ATOM 992 NE ARG A 63 -3.864 -10.938 -15.154 1.00 3.12 N ATOM 993 CZ ARG A 63 -3.752 -10.560 -16.427 1.00 3.84 C ATOM 994 NH1 ARG A 63 -4.819 -10.528 -17.217 1.00 4.07 N ATOM 995 NH2 ARG A 63 -2.566 -10.206 -16.908 1.00 4.72 N ATOM 0 H ARG A 63 -5.679 -10.104 -11.069 1.00 0.98 H new ATOM 0 HA ARG A 63 -7.356 -10.525 -13.291 1.00 1.19 H new ATOM 0 HB2 ARG A 63 -6.019 -12.495 -11.399 1.00 1.61 H new ATOM 0 HB3 ARG A 63 -6.723 -12.915 -12.948 1.00 1.61 H new ATOM 0 HG2 ARG A 63 -4.396 -11.005 -12.528 1.00 2.18 H new ATOM 0 HG3 ARG A 63 -4.266 -12.665 -13.073 1.00 2.18 H new ATOM 0 HD2 ARG A 63 -5.580 -12.138 -15.094 1.00 2.52 H new ATOM 0 HD3 ARG A 63 -5.816 -10.492 -14.538 1.00 2.52 H new ATOM 0 HE ARG A 63 -3.018 -10.953 -14.585 1.00 3.12 H new ATOM 0 HH11 ARG A 63 -5.733 -10.794 -16.851 1.00 4.07 H new ATOM 0 HH12 ARG A 63 -4.725 -10.237 -18.190 1.00 4.07 H new ATOM 0 HH21 ARG A 63 -1.745 -10.224 -16.304 1.00 4.72 H new ATOM 0 HH22 ARG A 63 -2.476 -9.916 -17.882 1.00 4.72 H new ATOM 1009 N ALA A 64 -8.573 -11.398 -10.370 1.00 1.07 N ATOM 1010 CA ALA A 64 -9.799 -11.766 -9.677 1.00 1.09 C ATOM 1011 C ALA A 64 -10.652 -10.537 -9.398 1.00 1.08 C ATOM 1012 O ALA A 64 -11.871 -10.619 -9.385 1.00 1.05 O ATOM 1013 CB ALA A 64 -9.478 -12.481 -8.375 1.00 1.17 C ATOM 0 H ALA A 64 -7.792 -11.173 -9.754 1.00 1.07 H new ATOM 0 HA ALA A 64 -10.363 -12.440 -10.322 1.00 1.09 H new ATOM 0 HB1 ALA A 64 -10.405 -12.749 -7.869 1.00 1.17 H new ATOM 0 HB2 ALA A 64 -8.906 -13.384 -8.587 1.00 1.17 H new ATOM 0 HB3 ALA A 64 -8.892 -11.823 -7.733 1.00 1.17 H new ATOM 1019 N PHE A 65 -9.984 -9.403 -9.196 1.00 1.14 N ATOM 1020 CA PHE A 65 -10.620 -8.138 -8.809 1.00 1.22 C ATOM 1021 C PHE A 65 -11.914 -7.856 -9.573 1.00 1.19 C ATOM 1022 O PHE A 65 -12.938 -7.534 -8.971 1.00 1.22 O ATOM 1023 CB PHE A 65 -9.626 -6.990 -9.022 1.00 1.47 C ATOM 1024 CG PHE A 65 -10.227 -5.618 -8.900 1.00 1.41 C ATOM 1025 CD1 PHE A 65 -10.626 -5.134 -7.665 1.00 1.67 C ATOM 1026 CD2 PHE A 65 -10.396 -4.816 -10.016 1.00 1.98 C ATOM 1027 CE1 PHE A 65 -11.180 -3.874 -7.544 1.00 2.44 C ATOM 1028 CE2 PHE A 65 -10.950 -3.557 -9.901 1.00 2.59 C ATOM 1029 CZ PHE A 65 -11.330 -3.078 -8.685 1.00 2.81 C ATOM 0 H PHE A 65 -8.971 -9.332 -9.297 1.00 1.14 H new ATOM 0 HA PHE A 65 -10.894 -8.221 -7.757 1.00 1.22 H new ATOM 0 HB2 PHE A 65 -8.818 -7.085 -8.296 1.00 1.47 H new ATOM 0 HB3 PHE A 65 -9.179 -7.091 -10.011 1.00 1.47 H new ATOM 0 HD1 PHE A 65 -10.503 -5.749 -6.786 1.00 1.67 H new ATOM 0 HD2 PHE A 65 -10.091 -5.179 -10.986 1.00 1.98 H new ATOM 0 HE1 PHE A 65 -11.494 -3.507 -6.578 1.00 2.44 H new ATOM 0 HE2 PHE A 65 -11.083 -2.947 -10.783 1.00 2.59 H new ATOM 0 HZ PHE A 65 -11.747 -2.085 -8.601 1.00 2.81 H new ATOM 1039 N SER A 66 -11.871 -7.996 -10.890 1.00 1.20 N ATOM 1040 CA SER A 66 -13.009 -7.638 -11.727 1.00 1.24 C ATOM 1041 C SER A 66 -14.224 -8.506 -11.398 1.00 1.13 C ATOM 1042 O SER A 66 -15.357 -8.023 -11.371 1.00 1.16 O ATOM 1043 CB SER A 66 -12.639 -7.770 -13.208 1.00 1.45 C ATOM 1044 OG SER A 66 -13.633 -7.195 -14.042 1.00 2.19 O ATOM 0 H SER A 66 -11.064 -8.353 -11.401 1.00 1.20 H new ATOM 0 HA SER A 66 -13.272 -6.600 -11.523 1.00 1.24 H new ATOM 0 HB2 SER A 66 -11.682 -7.282 -13.391 1.00 1.45 H new ATOM 0 HB3 SER A 66 -12.514 -8.823 -13.461 1.00 1.45 H new ATOM 0 HG SER A 66 -13.369 -7.293 -14.981 1.00 2.19 H new ATOM 1050 N ASP A 67 -13.980 -9.781 -11.121 1.00 1.09 N ATOM 1051 CA ASP A 67 -15.054 -10.716 -10.800 1.00 1.08 C ATOM 1052 C ASP A 67 -15.362 -10.693 -9.309 1.00 0.97 C ATOM 1053 O ASP A 67 -16.492 -10.959 -8.889 1.00 1.01 O ATOM 1054 CB ASP A 67 -14.668 -12.136 -11.224 1.00 1.18 C ATOM 1055 CG ASP A 67 -15.747 -13.156 -10.907 1.00 1.86 C ATOM 1056 OD1 ASP A 67 -16.716 -13.276 -11.692 1.00 2.06 O ATOM 1057 OD2 ASP A 67 -15.636 -13.844 -9.869 1.00 2.72 O ATOM 0 H ASP A 67 -13.047 -10.193 -11.112 1.00 1.09 H new ATOM 0 HA ASP A 67 -15.945 -10.408 -11.347 1.00 1.08 H new ATOM 0 HB2 ASP A 67 -14.465 -12.149 -12.295 1.00 1.18 H new ATOM 0 HB3 ASP A 67 -13.744 -12.422 -10.721 1.00 1.18 H new ATOM 1062 N LEU A 68 -14.353 -10.364 -8.509 1.00 0.89 N ATOM 1063 CA LEU A 68 -14.476 -10.398 -7.067 1.00 0.85 C ATOM 1064 C LEU A 68 -15.561 -9.470 -6.538 1.00 0.76 C ATOM 1065 O LEU A 68 -16.086 -9.720 -5.456 1.00 0.77 O ATOM 1066 CB LEU A 68 -13.141 -10.103 -6.391 1.00 0.91 C ATOM 1067 CG LEU A 68 -12.456 -11.332 -5.792 1.00 1.06 C ATOM 1068 CD1 LEU A 68 -12.642 -12.549 -6.680 1.00 1.54 C ATOM 1069 CD2 LEU A 68 -10.984 -11.061 -5.550 1.00 1.56 C ATOM 0 H LEU A 68 -13.436 -10.069 -8.845 1.00 0.89 H new ATOM 0 HA LEU A 68 -14.780 -11.414 -6.814 1.00 0.85 H new ATOM 0 HB2 LEU A 68 -12.471 -9.646 -7.119 1.00 0.91 H new ATOM 0 HB3 LEU A 68 -13.301 -9.369 -5.601 1.00 0.91 H new ATOM 0 HG LEU A 68 -12.926 -11.544 -4.832 1.00 1.06 H new ATOM 0 HD11 LEU A 68 -12.145 -13.408 -6.229 1.00 1.54 H new ATOM 0 HD12 LEU A 68 -13.706 -12.761 -6.788 1.00 1.54 H new ATOM 0 HD13 LEU A 68 -12.210 -12.353 -7.661 1.00 1.54 H new ATOM 0 HD21 LEU A 68 -10.516 -11.948 -5.124 1.00 1.56 H new ATOM 0 HD22 LEU A 68 -10.500 -10.814 -6.495 1.00 1.56 H new ATOM 0 HD23 LEU A 68 -10.877 -10.226 -4.858 1.00 1.56 H new ATOM 1081 N THR A 69 -15.935 -8.447 -7.302 1.00 0.70 N ATOM 1082 CA THR A 69 -16.965 -7.499 -6.867 1.00 0.62 C ATOM 1083 C THR A 69 -18.247 -8.222 -6.445 1.00 0.63 C ATOM 1084 O THR A 69 -19.000 -7.730 -5.611 1.00 0.60 O ATOM 1085 CB THR A 69 -17.299 -6.474 -7.968 1.00 0.62 C ATOM 1086 OG1 THR A 69 -17.363 -7.131 -9.243 1.00 0.69 O ATOM 1087 CG2 THR A 69 -16.268 -5.358 -8.011 1.00 0.63 C ATOM 0 H THR A 69 -15.543 -8.251 -8.223 1.00 0.70 H new ATOM 0 HA THR A 69 -16.554 -6.969 -6.008 1.00 0.62 H new ATOM 0 HB THR A 69 -18.268 -6.031 -7.738 1.00 0.62 H new ATOM 0 HG1 THR A 69 -16.466 -7.171 -9.636 1.00 0.69 H new ATOM 0 HG21 THR A 69 -16.530 -4.650 -8.797 1.00 0.63 H new ATOM 0 HG22 THR A 69 -16.249 -4.843 -7.051 1.00 0.63 H new ATOM 0 HG23 THR A 69 -15.284 -5.780 -8.216 1.00 0.63 H new ATOM 1095 N SER A 70 -18.470 -9.402 -7.015 1.00 0.72 N ATOM 1096 CA SER A 70 -19.572 -10.265 -6.616 1.00 0.80 C ATOM 1097 C SER A 70 -19.452 -10.617 -5.131 1.00 0.76 C ATOM 1098 O SER A 70 -20.350 -10.351 -4.336 1.00 0.76 O ATOM 1099 CB SER A 70 -19.536 -11.540 -7.457 1.00 0.96 C ATOM 1100 OG SER A 70 -20.669 -12.357 -7.223 1.00 1.34 O ATOM 0 H SER A 70 -17.893 -9.784 -7.764 1.00 0.72 H new ATOM 0 HA SER A 70 -20.517 -9.746 -6.776 1.00 0.80 H new ATOM 0 HB2 SER A 70 -19.490 -11.277 -8.514 1.00 0.96 H new ATOM 0 HB3 SER A 70 -18.630 -12.101 -7.228 1.00 0.96 H new ATOM 0 HG SER A 70 -20.612 -13.162 -7.779 1.00 1.34 H new ATOM 1106 N GLN A 71 -18.320 -11.223 -4.791 1.00 0.77 N ATOM 1107 CA GLN A 71 -17.942 -11.543 -3.436 1.00 0.77 C ATOM 1108 C GLN A 71 -18.055 -10.326 -2.533 1.00 0.67 C ATOM 1109 O GLN A 71 -18.578 -10.410 -1.424 1.00 0.74 O ATOM 1110 CB GLN A 71 -16.495 -12.041 -3.445 1.00 0.81 C ATOM 1111 CG GLN A 71 -16.284 -13.403 -4.084 1.00 0.99 C ATOM 1112 CD GLN A 71 -16.654 -13.501 -5.552 1.00 1.09 C ATOM 1113 OE1 GLN A 71 -16.498 -12.411 -6.272 1.00 1.31 O flip ATOM 1114 NE2 GLN A 71 -17.068 -14.552 -6.034 1.00 1.42 N flip ATOM 0 H GLN A 71 -17.624 -11.511 -5.479 1.00 0.77 H new ATOM 0 HA GLN A 71 -18.613 -12.311 -3.050 1.00 0.77 H new ATOM 0 HB2 GLN A 71 -15.880 -11.311 -3.971 1.00 0.81 H new ATOM 0 HB3 GLN A 71 -16.134 -12.080 -2.417 1.00 0.81 H new ATOM 0 HG2 GLN A 71 -15.235 -13.678 -3.973 1.00 0.99 H new ATOM 0 HG3 GLN A 71 -16.867 -14.139 -3.530 1.00 0.99 H new ATOM 0 HE21 GLN A 71 -17.176 -15.376 -5.443 1.00 1.42 H new ATOM 0 HE22 GLN A 71 -17.304 -14.600 -7.025 1.00 1.42 H new ATOM 1123 N LEU A 72 -17.549 -9.195 -3.012 1.00 0.59 N ATOM 1124 CA LEU A 72 -17.612 -7.965 -2.258 1.00 0.55 C ATOM 1125 C LEU A 72 -19.048 -7.471 -2.096 1.00 0.47 C ATOM 1126 O LEU A 72 -19.383 -6.866 -1.085 1.00 0.48 O ATOM 1127 CB LEU A 72 -16.781 -6.879 -2.935 1.00 0.59 C ATOM 1128 CG LEU A 72 -15.261 -6.961 -2.767 1.00 0.76 C ATOM 1129 CD1 LEU A 72 -14.886 -7.305 -1.340 1.00 1.37 C ATOM 1130 CD2 LEU A 72 -14.630 -7.928 -3.754 1.00 1.35 C ATOM 0 H LEU A 72 -17.092 -9.112 -3.920 1.00 0.59 H new ATOM 0 HA LEU A 72 -17.207 -8.176 -1.268 1.00 0.55 H new ATOM 0 HB2 LEU A 72 -17.005 -6.896 -4.002 1.00 0.59 H new ATOM 0 HB3 LEU A 72 -17.112 -5.913 -2.555 1.00 0.59 H new ATOM 0 HG LEU A 72 -14.859 -5.973 -2.990 1.00 0.76 H new ATOM 0 HD11 LEU A 72 -13.801 -7.356 -1.251 1.00 1.37 H new ATOM 0 HD12 LEU A 72 -15.269 -6.537 -0.668 1.00 1.37 H new ATOM 0 HD13 LEU A 72 -15.318 -8.269 -1.073 1.00 1.37 H new ATOM 0 HD21 LEU A 72 -13.551 -7.954 -3.599 1.00 1.35 H new ATOM 0 HD22 LEU A 72 -15.043 -8.925 -3.601 1.00 1.35 H new ATOM 0 HD23 LEU A 72 -14.842 -7.599 -4.771 1.00 1.35 H new ATOM 1142 N HIS A 73 -19.899 -7.739 -3.084 1.00 0.48 N ATOM 1143 CA HIS A 73 -21.271 -7.217 -3.081 1.00 0.48 C ATOM 1144 C HIS A 73 -21.214 -5.699 -2.987 1.00 0.43 C ATOM 1145 O HIS A 73 -21.972 -5.066 -2.248 1.00 0.52 O ATOM 1146 CB HIS A 73 -22.094 -7.803 -1.924 1.00 0.55 C ATOM 1147 CG HIS A 73 -22.317 -9.279 -2.028 1.00 1.20 C ATOM 1148 ND1 HIS A 73 -21.682 -10.195 -1.221 1.00 2.06 N ATOM 1149 CD2 HIS A 73 -23.115 -9.998 -2.853 1.00 1.97 C ATOM 1150 CE1 HIS A 73 -22.074 -11.411 -1.543 1.00 2.72 C ATOM 1151 NE2 HIS A 73 -22.944 -11.321 -2.529 1.00 2.62 N ATOM 0 H HIS A 73 -19.668 -8.312 -3.896 1.00 0.48 H new ATOM 0 HA HIS A 73 -21.767 -7.513 -4.005 1.00 0.48 H new ATOM 0 HB2 HIS A 73 -21.587 -7.587 -0.984 1.00 0.55 H new ATOM 0 HB3 HIS A 73 -23.061 -7.301 -1.887 1.00 0.55 H new ATOM 0 HD2 HIS A 73 -23.764 -9.604 -3.621 1.00 1.97 H new ATOM 0 HE1 HIS A 73 -21.739 -12.326 -1.078 1.00 2.72 H new ATOM 0 HE2 HIS A 73 -23.414 -12.107 -2.978 1.00 2.62 H new ATOM 1160 N ILE A 74 -20.285 -5.155 -3.758 1.00 0.45 N ATOM 1161 CA ILE A 74 -19.935 -3.744 -3.758 1.00 0.41 C ATOM 1162 C ILE A 74 -21.147 -2.826 -3.872 1.00 0.49 C ATOM 1163 O ILE A 74 -21.850 -2.805 -4.887 1.00 0.91 O ATOM 1164 CB ILE A 74 -18.943 -3.494 -4.900 1.00 0.38 C ATOM 1165 CG1 ILE A 74 -17.637 -4.205 -4.573 1.00 0.36 C ATOM 1166 CG2 ILE A 74 -18.700 -2.020 -5.135 1.00 0.44 C ATOM 1167 CD1 ILE A 74 -16.958 -3.670 -3.327 1.00 0.39 C ATOM 0 H ILE A 74 -19.737 -5.702 -4.422 1.00 0.45 H new ATOM 0 HA ILE A 74 -19.480 -3.503 -2.797 1.00 0.41 H new ATOM 0 HB ILE A 74 -19.369 -3.889 -5.822 1.00 0.38 H new ATOM 0 HG12 ILE A 74 -17.834 -5.269 -4.443 1.00 0.36 H new ATOM 0 HG13 ILE A 74 -16.957 -4.108 -5.419 1.00 0.36 H new ATOM 0 HG21 ILE A 74 -17.991 -1.894 -5.953 1.00 0.44 H new ATOM 0 HG22 ILE A 74 -19.641 -1.533 -5.392 1.00 0.44 H new ATOM 0 HG23 ILE A 74 -18.293 -1.569 -4.230 1.00 0.44 H new ATOM 0 HD11 ILE A 74 -16.034 -4.220 -3.152 1.00 0.39 H new ATOM 0 HD12 ILE A 74 -16.731 -2.613 -3.462 1.00 0.39 H new ATOM 0 HD13 ILE A 74 -17.621 -3.792 -2.470 1.00 0.39 H new ATOM 1179 N THR A 75 -21.351 -2.060 -2.812 1.00 0.38 N ATOM 1180 CA THR A 75 -22.534 -1.244 -2.636 1.00 0.40 C ATOM 1181 C THR A 75 -22.179 -0.101 -1.650 1.00 0.37 C ATOM 1182 O THR A 75 -20.992 0.096 -1.382 1.00 0.34 O ATOM 1183 CB THR A 75 -23.679 -2.169 -2.113 1.00 0.46 C ATOM 1184 OG1 THR A 75 -24.958 -1.745 -2.602 1.00 0.51 O ATOM 1185 CG2 THR A 75 -23.704 -2.237 -0.591 1.00 0.46 C ATOM 0 H THR A 75 -20.688 -1.989 -2.040 1.00 0.38 H new ATOM 0 HA THR A 75 -22.876 -0.786 -3.564 1.00 0.40 H new ATOM 0 HB THR A 75 -23.471 -3.168 -2.496 1.00 0.46 H new ATOM 0 HG1 THR A 75 -25.654 -2.344 -2.259 1.00 0.51 H new ATOM 0 HG21 THR A 75 -24.515 -2.891 -0.269 1.00 0.46 H new ATOM 0 HG22 THR A 75 -22.755 -2.631 -0.229 1.00 0.46 H new ATOM 0 HG23 THR A 75 -23.860 -1.238 -0.185 1.00 0.46 H new ATOM 1193 N PRO A 76 -23.163 0.715 -1.176 1.00 0.38 N ATOM 1194 CA PRO A 76 -23.040 1.619 -0.020 1.00 0.37 C ATOM 1195 C PRO A 76 -22.045 1.187 1.070 1.00 0.35 C ATOM 1196 O PRO A 76 -21.581 0.052 1.096 1.00 0.35 O ATOM 1197 CB PRO A 76 -24.464 1.622 0.543 1.00 0.42 C ATOM 1198 CG PRO A 76 -25.360 1.209 -0.588 1.00 0.47 C ATOM 1199 CD PRO A 76 -24.482 0.910 -1.775 1.00 0.44 C ATOM 0 HA PRO A 76 -22.644 2.584 -0.335 1.00 0.37 H new ATOM 0 HB2 PRO A 76 -24.553 0.932 1.382 1.00 0.42 H new ATOM 0 HB3 PRO A 76 -24.735 2.611 0.913 1.00 0.42 H new ATOM 0 HG2 PRO A 76 -25.945 0.331 -0.313 1.00 0.47 H new ATOM 0 HG3 PRO A 76 -26.068 2.003 -0.825 1.00 0.47 H new ATOM 0 HD2 PRO A 76 -24.817 0.021 -2.309 1.00 0.44 H new ATOM 0 HD3 PRO A 76 -24.481 1.731 -2.492 1.00 0.44 H new ATOM 1207 N GLY A 77 -21.746 2.149 1.959 1.00 0.36 N ATOM 1208 CA GLY A 77 -20.717 2.042 3.009 1.00 0.37 C ATOM 1209 C GLY A 77 -20.457 0.662 3.599 1.00 0.38 C ATOM 1210 O GLY A 77 -19.346 0.390 4.061 1.00 0.40 O ATOM 0 H GLY A 77 -22.227 3.049 1.968 1.00 0.36 H new ATOM 0 HA2 GLY A 77 -19.778 2.415 2.600 1.00 0.37 H new ATOM 0 HA3 GLY A 77 -20.997 2.709 3.824 1.00 0.37 H new ATOM 1214 N THR A 78 -21.446 -0.211 3.586 1.00 0.40 N ATOM 1215 CA THR A 78 -21.294 -1.544 4.136 1.00 0.42 C ATOM 1216 C THR A 78 -20.354 -2.410 3.291 1.00 0.38 C ATOM 1217 O THR A 78 -20.138 -3.586 3.590 1.00 0.40 O ATOM 1218 CB THR A 78 -22.661 -2.219 4.282 1.00 0.49 C ATOM 1219 OG1 THR A 78 -23.394 -2.109 3.055 1.00 0.50 O ATOM 1220 CG2 THR A 78 -23.441 -1.558 5.402 1.00 0.56 C ATOM 0 H THR A 78 -22.369 -0.019 3.198 1.00 0.40 H new ATOM 0 HA THR A 78 -20.841 -1.442 5.122 1.00 0.42 H new ATOM 0 HB THR A 78 -22.514 -3.273 4.517 1.00 0.49 H new ATOM 0 HG1 THR A 78 -24.266 -2.544 3.155 1.00 0.50 H new ATOM 0 HG21 THR A 78 -24.413 -2.041 5.503 1.00 0.56 H new ATOM 0 HG22 THR A 78 -22.889 -1.655 6.337 1.00 0.56 H new ATOM 0 HG23 THR A 78 -23.583 -0.502 5.173 1.00 0.56 H new ATOM 1228 N ALA A 79 -19.760 -1.807 2.261 1.00 0.34 N ATOM 1229 CA ALA A 79 -18.722 -2.462 1.479 1.00 0.31 C ATOM 1230 C ALA A 79 -17.461 -2.616 2.323 1.00 0.30 C ATOM 1231 O ALA A 79 -16.556 -3.378 1.989 1.00 0.31 O ATOM 1232 CB ALA A 79 -18.428 -1.673 0.209 1.00 0.32 C ATOM 0 H ALA A 79 -19.984 -0.861 1.951 1.00 0.34 H new ATOM 0 HA ALA A 79 -19.072 -3.452 1.185 1.00 0.31 H new ATOM 0 HB1 ALA A 79 -17.649 -2.179 -0.362 1.00 0.32 H new ATOM 0 HB2 ALA A 79 -19.333 -1.604 -0.394 1.00 0.32 H new ATOM 0 HB3 ALA A 79 -18.091 -0.671 0.473 1.00 0.32 H new ATOM 1238 N TYR A 80 -17.422 -1.893 3.438 1.00 0.33 N ATOM 1239 CA TYR A 80 -16.321 -2.003 4.382 1.00 0.36 C ATOM 1240 C TYR A 80 -16.466 -3.276 5.201 1.00 0.36 C ATOM 1241 O TYR A 80 -15.528 -3.714 5.857 1.00 0.38 O ATOM 1242 CB TYR A 80 -16.268 -0.774 5.297 1.00 0.44 C ATOM 1243 CG TYR A 80 -15.094 -0.783 6.253 1.00 1.15 C ATOM 1244 CD1 TYR A 80 -13.788 -0.801 5.780 1.00 1.69 C ATOM 1245 CD2 TYR A 80 -15.294 -0.762 7.628 1.00 2.21 C ATOM 1246 CE1 TYR A 80 -12.715 -0.801 6.649 1.00 2.52 C ATOM 1247 CE2 TYR A 80 -14.226 -0.758 8.504 1.00 3.13 C ATOM 1248 CZ TYR A 80 -12.937 -0.818 8.007 1.00 3.12 C ATOM 1249 OH TYR A 80 -11.871 -0.772 8.880 1.00 4.13 O ATOM 0 H TYR A 80 -18.143 -1.224 3.708 1.00 0.33 H new ATOM 0 HA TYR A 80 -15.385 -2.049 3.825 1.00 0.36 H new ATOM 0 HB2 TYR A 80 -16.219 0.125 4.682 1.00 0.44 H new ATOM 0 HB3 TYR A 80 -17.193 -0.718 5.871 1.00 0.44 H new ATOM 0 HD1 TYR A 80 -13.609 -0.815 4.715 1.00 1.69 H new ATOM 0 HD2 TYR A 80 -16.301 -0.749 8.018 1.00 2.21 H new ATOM 0 HE1 TYR A 80 -11.706 -0.788 6.265 1.00 2.52 H new ATOM 0 HE2 TYR A 80 -14.396 -0.708 9.569 1.00 3.13 H new ATOM 0 HH TYR A 80 -12.202 -0.791 9.802 1.00 4.13 H new ATOM 1259 N GLN A 81 -17.650 -3.872 5.153 1.00 0.37 N ATOM 1260 CA GLN A 81 -17.871 -5.166 5.779 1.00 0.41 C ATOM 1261 C GLN A 81 -17.502 -6.279 4.814 1.00 0.41 C ATOM 1262 O GLN A 81 -17.175 -7.395 5.212 1.00 0.46 O ATOM 1263 CB GLN A 81 -19.314 -5.308 6.252 1.00 0.45 C ATOM 1264 CG GLN A 81 -19.566 -4.650 7.597 1.00 0.58 C ATOM 1265 CD GLN A 81 -20.982 -4.846 8.087 1.00 0.68 C ATOM 1266 OE1 GLN A 81 -21.286 -5.832 8.760 1.00 1.03 O ATOM 1267 NE2 GLN A 81 -21.850 -3.900 7.772 1.00 0.79 N ATOM 0 H GLN A 81 -18.469 -3.480 4.688 1.00 0.37 H new ATOM 0 HA GLN A 81 -17.230 -5.240 6.658 1.00 0.41 H new ATOM 0 HB2 GLN A 81 -19.979 -4.868 5.509 1.00 0.45 H new ATOM 0 HB3 GLN A 81 -19.566 -6.366 6.319 1.00 0.45 H new ATOM 0 HG2 GLN A 81 -18.872 -5.058 8.332 1.00 0.58 H new ATOM 0 HG3 GLN A 81 -19.357 -3.583 7.519 1.00 0.58 H new ATOM 0 HE21 GLN A 81 -21.553 -3.101 7.212 1.00 0.79 H new ATOM 0 HE22 GLN A 81 -22.817 -3.969 8.089 1.00 0.79 H new ATOM 1276 N SER A 82 -17.553 -5.945 3.546 1.00 0.39 N ATOM 1277 CA SER A 82 -17.050 -6.801 2.487 1.00 0.41 C ATOM 1278 C SER A 82 -15.528 -6.825 2.541 1.00 0.41 C ATOM 1279 O SER A 82 -14.899 -7.882 2.569 1.00 0.48 O ATOM 1280 CB SER A 82 -17.523 -6.233 1.156 1.00 0.41 C ATOM 1281 OG SER A 82 -18.901 -5.905 1.223 1.00 0.43 O ATOM 0 H SER A 82 -17.947 -5.065 3.213 1.00 0.39 H new ATOM 0 HA SER A 82 -17.418 -7.820 2.605 1.00 0.41 H new ATOM 0 HB2 SER A 82 -16.943 -5.345 0.905 1.00 0.41 H new ATOM 0 HB3 SER A 82 -17.353 -6.960 0.362 1.00 0.41 H new ATOM 0 HG SER A 82 -19.299 -5.979 0.330 1.00 0.43 H new ATOM 1287 N PHE A 83 -14.954 -5.632 2.573 1.00 0.38 N ATOM 1288 CA PHE A 83 -13.523 -5.454 2.751 1.00 0.37 C ATOM 1289 C PHE A 83 -13.110 -5.872 4.165 1.00 0.38 C ATOM 1290 O PHE A 83 -11.934 -6.076 4.449 1.00 0.39 O ATOM 1291 CB PHE A 83 -13.143 -3.996 2.449 1.00 0.36 C ATOM 1292 CG PHE A 83 -11.694 -3.668 2.677 1.00 0.56 C ATOM 1293 CD1 PHE A 83 -10.718 -4.158 1.824 1.00 0.79 C ATOM 1294 CD2 PHE A 83 -11.308 -2.871 3.744 1.00 0.75 C ATOM 1295 CE1 PHE A 83 -9.386 -3.859 2.029 1.00 1.07 C ATOM 1296 CE2 PHE A 83 -9.977 -2.569 3.953 1.00 1.05 C ATOM 1297 CZ PHE A 83 -9.016 -3.062 3.099 1.00 1.18 C ATOM 0 H PHE A 83 -15.470 -4.758 2.476 1.00 0.38 H new ATOM 0 HA PHE A 83 -12.983 -6.093 2.053 1.00 0.37 H new ATOM 0 HB2 PHE A 83 -13.393 -3.777 1.411 1.00 0.36 H new ATOM 0 HB3 PHE A 83 -13.753 -3.339 3.069 1.00 0.36 H new ATOM 0 HD1 PHE A 83 -11.003 -4.781 0.989 1.00 0.79 H new ATOM 0 HD2 PHE A 83 -12.056 -2.482 4.419 1.00 0.75 H new ATOM 0 HE1 PHE A 83 -8.635 -4.246 1.357 1.00 1.07 H new ATOM 0 HE2 PHE A 83 -9.690 -1.946 4.787 1.00 1.05 H new ATOM 0 HZ PHE A 83 -7.975 -2.827 3.264 1.00 1.18 H new ATOM 1307 N GLU A 84 -14.086 -5.992 5.052 1.00 0.41 N ATOM 1308 CA GLU A 84 -13.827 -6.449 6.409 1.00 0.48 C ATOM 1309 C GLU A 84 -13.321 -7.877 6.394 1.00 0.52 C ATOM 1310 O GLU A 84 -12.310 -8.198 7.007 1.00 0.55 O ATOM 1311 CB GLU A 84 -15.090 -6.398 7.250 1.00 0.55 C ATOM 1312 CG GLU A 84 -14.881 -6.918 8.653 1.00 0.62 C ATOM 1313 CD GLU A 84 -16.089 -6.732 9.540 1.00 0.71 C ATOM 1314 OE1 GLU A 84 -17.034 -7.541 9.440 1.00 0.78 O ATOM 1315 OE2 GLU A 84 -16.105 -5.768 10.332 1.00 0.80 O ATOM 0 H GLU A 84 -15.064 -5.779 4.857 1.00 0.41 H new ATOM 0 HA GLU A 84 -13.076 -5.788 6.841 1.00 0.48 H new ATOM 0 HB2 GLU A 84 -15.448 -5.369 7.298 1.00 0.55 H new ATOM 0 HB3 GLU A 84 -15.869 -6.984 6.763 1.00 0.55 H new ATOM 0 HG2 GLU A 84 -14.631 -7.978 8.608 1.00 0.62 H new ATOM 0 HG3 GLU A 84 -14.028 -6.408 9.100 1.00 0.62 H new ATOM 1322 N GLN A 85 -14.063 -8.712 5.688 1.00 0.57 N ATOM 1323 CA GLN A 85 -13.762 -10.137 5.535 1.00 0.65 C ATOM 1324 C GLN A 85 -12.300 -10.360 5.253 1.00 0.64 C ATOM 1325 O GLN A 85 -11.646 -11.238 5.820 1.00 0.71 O ATOM 1326 CB GLN A 85 -14.572 -10.691 4.367 1.00 0.69 C ATOM 1327 CG GLN A 85 -16.014 -10.280 4.425 1.00 0.79 C ATOM 1328 CD GLN A 85 -16.884 -10.921 3.362 1.00 1.13 C ATOM 1329 OE1 GLN A 85 -16.428 -11.239 2.266 1.00 1.44 O ATOM 1330 NE2 GLN A 85 -18.154 -11.103 3.682 1.00 1.62 N ATOM 0 H GLN A 85 -14.907 -8.421 5.194 1.00 0.57 H new ATOM 0 HA GLN A 85 -14.019 -10.643 6.465 1.00 0.65 H new ATOM 0 HB2 GLN A 85 -14.136 -10.345 3.430 1.00 0.69 H new ATOM 0 HB3 GLN A 85 -14.507 -11.779 4.367 1.00 0.69 H new ATOM 0 HG2 GLN A 85 -16.413 -10.533 5.407 1.00 0.79 H new ATOM 0 HG3 GLN A 85 -16.076 -9.196 4.325 1.00 0.79 H new ATOM 0 HE21 GLN A 85 -18.493 -10.825 4.603 1.00 1.62 H new ATOM 0 HE22 GLN A 85 -18.795 -11.521 3.008 1.00 1.62 H new ATOM 1339 N VAL A 86 -11.807 -9.531 4.383 1.00 0.58 N ATOM 1340 CA VAL A 86 -10.491 -9.671 3.845 1.00 0.62 C ATOM 1341 C VAL A 86 -9.455 -8.902 4.659 1.00 0.55 C ATOM 1342 O VAL A 86 -8.340 -9.356 4.856 1.00 0.59 O ATOM 1343 CB VAL A 86 -10.513 -9.223 2.403 1.00 0.70 C ATOM 1344 CG1 VAL A 86 -11.179 -7.892 2.309 1.00 1.13 C ATOM 1345 CG2 VAL A 86 -9.122 -9.239 1.813 1.00 1.30 C ATOM 0 H VAL A 86 -12.318 -8.725 4.022 1.00 0.58 H new ATOM 0 HA VAL A 86 -10.192 -10.718 3.897 1.00 0.62 H new ATOM 0 HB VAL A 86 -11.097 -9.922 1.804 1.00 0.70 H new ATOM 0 HG11 VAL A 86 -11.196 -7.566 1.269 1.00 1.13 H new ATOM 0 HG12 VAL A 86 -12.200 -7.969 2.682 1.00 1.13 H new ATOM 0 HG13 VAL A 86 -10.628 -7.166 2.907 1.00 1.13 H new ATOM 0 HG21 VAL A 86 -9.164 -8.913 0.774 1.00 1.30 H new ATOM 0 HG22 VAL A 86 -8.479 -8.566 2.379 1.00 1.30 H new ATOM 0 HG23 VAL A 86 -8.719 -10.251 1.860 1.00 1.30 H new ATOM 1355 N VAL A 87 -9.824 -7.746 5.161 1.00 0.51 N ATOM 1356 CA VAL A 87 -8.917 -7.005 6.035 1.00 0.51 C ATOM 1357 C VAL A 87 -8.717 -7.785 7.331 1.00 0.56 C ATOM 1358 O VAL A 87 -7.726 -7.618 8.044 1.00 0.60 O ATOM 1359 CB VAL A 87 -9.432 -5.582 6.344 1.00 0.54 C ATOM 1360 CG1 VAL A 87 -10.591 -5.597 7.330 1.00 0.75 C ATOM 1361 CG2 VAL A 87 -8.303 -4.716 6.858 1.00 0.85 C ATOM 0 H VAL A 87 -10.724 -7.298 4.990 1.00 0.51 H new ATOM 0 HA VAL A 87 -7.966 -6.893 5.514 1.00 0.51 H new ATOM 0 HB VAL A 87 -9.808 -5.158 5.413 1.00 0.54 H new ATOM 0 HG11 VAL A 87 -10.922 -4.576 7.519 1.00 0.75 H new ATOM 0 HG12 VAL A 87 -11.416 -6.174 6.913 1.00 0.75 H new ATOM 0 HG13 VAL A 87 -10.267 -6.052 8.266 1.00 0.75 H new ATOM 0 HG21 VAL A 87 -8.680 -3.716 7.072 1.00 0.85 H new ATOM 0 HG22 VAL A 87 -7.896 -5.153 7.770 1.00 0.85 H new ATOM 0 HG23 VAL A 87 -7.519 -4.655 6.103 1.00 0.85 H new ATOM 1371 N ASN A 88 -9.674 -8.657 7.591 1.00 0.61 N ATOM 1372 CA ASN A 88 -9.640 -9.566 8.724 1.00 0.71 C ATOM 1373 C ASN A 88 -8.620 -10.674 8.508 1.00 0.78 C ATOM 1374 O ASN A 88 -7.750 -10.898 9.350 1.00 0.91 O ATOM 1375 CB ASN A 88 -11.026 -10.161 8.932 1.00 0.73 C ATOM 1376 CG ASN A 88 -11.757 -9.533 10.102 1.00 0.78 C ATOM 1377 OD1 ASN A 88 -11.710 -10.033 11.226 1.00 0.87 O ATOM 1378 ND2 ASN A 88 -12.434 -8.426 9.851 1.00 0.73 N ATOM 0 H ASN A 88 -10.509 -8.756 7.013 1.00 0.61 H new ATOM 0 HA ASN A 88 -9.342 -9.008 9.612 1.00 0.71 H new ATOM 0 HB2 ASN A 88 -11.615 -10.027 8.025 1.00 0.73 H new ATOM 0 HB3 ASN A 88 -10.936 -11.235 9.098 1.00 0.73 H new ATOM 0 HD21 ASN A 88 -12.940 -7.957 10.602 1.00 0.73 H new ATOM 0 HD22 ASN A 88 -12.450 -8.041 8.907 1.00 0.73 H new ATOM 1385 N GLU A 89 -8.707 -11.343 7.357 1.00 0.75 N ATOM 1386 CA GLU A 89 -7.810 -12.449 7.035 1.00 0.84 C ATOM 1387 C GLU A 89 -6.416 -11.919 6.915 1.00 0.82 C ATOM 1388 O GLU A 89 -5.455 -12.520 7.390 1.00 0.98 O ATOM 1389 CB GLU A 89 -8.209 -13.122 5.724 1.00 0.87 C ATOM 1390 CG GLU A 89 -8.705 -12.164 4.682 1.00 1.25 C ATOM 1391 CD GLU A 89 -7.854 -12.069 3.470 1.00 2.21 C ATOM 1392 OE1 GLU A 89 -6.774 -11.473 3.581 1.00 2.58 O ATOM 1393 OE2 GLU A 89 -8.241 -12.603 2.420 1.00 2.87 O ATOM 0 H GLU A 89 -9.393 -11.135 6.631 1.00 0.75 H new ATOM 0 HA GLU A 89 -7.872 -13.192 7.830 1.00 0.84 H new ATOM 0 HB2 GLU A 89 -7.350 -13.664 5.328 1.00 0.87 H new ATOM 0 HB3 GLU A 89 -8.986 -13.860 5.926 1.00 0.87 H new ATOM 0 HG2 GLU A 89 -9.709 -12.463 4.381 1.00 1.25 H new ATOM 0 HG3 GLU A 89 -8.788 -11.173 5.129 1.00 1.25 H new ATOM 1400 N LEU A 90 -6.340 -10.755 6.307 1.00 0.69 N ATOM 1401 CA LEU A 90 -5.095 -10.082 6.106 1.00 0.64 C ATOM 1402 C LEU A 90 -4.382 -9.846 7.442 1.00 0.70 C ATOM 1403 O LEU A 90 -3.156 -9.794 7.510 1.00 0.80 O ATOM 1404 CB LEU A 90 -5.346 -8.761 5.395 1.00 0.56 C ATOM 1405 CG LEU A 90 -5.394 -8.844 3.873 1.00 0.67 C ATOM 1406 CD1 LEU A 90 -5.912 -7.548 3.306 1.00 1.25 C ATOM 1407 CD2 LEU A 90 -4.021 -9.148 3.298 1.00 1.28 C ATOM 0 H LEU A 90 -7.149 -10.254 5.940 1.00 0.69 H new ATOM 0 HA LEU A 90 -4.449 -10.707 5.489 1.00 0.64 H new ATOM 0 HB2 LEU A 90 -6.290 -8.348 5.751 1.00 0.56 H new ATOM 0 HB3 LEU A 90 -4.563 -8.058 5.680 1.00 0.56 H new ATOM 0 HG LEU A 90 -6.066 -9.656 3.597 1.00 0.67 H new ATOM 0 HD11 LEU A 90 -5.944 -7.614 2.218 1.00 1.25 H new ATOM 0 HD12 LEU A 90 -6.915 -7.359 3.688 1.00 1.25 H new ATOM 0 HD13 LEU A 90 -5.252 -6.732 3.601 1.00 1.25 H new ATOM 0 HD21 LEU A 90 -4.085 -9.201 2.211 1.00 1.28 H new ATOM 0 HD22 LEU A 90 -3.325 -8.359 3.582 1.00 1.28 H new ATOM 0 HD23 LEU A 90 -3.666 -10.102 3.688 1.00 1.28 H new ATOM 1419 N PHE A 91 -5.166 -9.750 8.512 1.00 0.73 N ATOM 1420 CA PHE A 91 -4.652 -9.351 9.807 1.00 0.82 C ATOM 1421 C PHE A 91 -4.369 -10.565 10.669 1.00 0.91 C ATOM 1422 O PHE A 91 -3.290 -10.706 11.240 1.00 1.06 O ATOM 1423 CB PHE A 91 -5.663 -8.428 10.499 1.00 0.88 C ATOM 1424 CG PHE A 91 -5.218 -7.896 11.834 1.00 1.04 C ATOM 1425 CD1 PHE A 91 -4.427 -6.762 11.913 1.00 1.26 C ATOM 1426 CD2 PHE A 91 -5.597 -8.525 13.009 1.00 1.70 C ATOM 1427 CE1 PHE A 91 -4.021 -6.266 13.137 1.00 1.75 C ATOM 1428 CE2 PHE A 91 -5.195 -8.034 14.236 1.00 2.30 C ATOM 1429 CZ PHE A 91 -4.405 -6.903 14.300 1.00 2.23 C ATOM 0 H PHE A 91 -6.167 -9.946 8.501 1.00 0.73 H new ATOM 0 HA PHE A 91 -3.715 -8.813 9.664 1.00 0.82 H new ATOM 0 HB2 PHE A 91 -5.876 -7.586 9.840 1.00 0.88 H new ATOM 0 HB3 PHE A 91 -6.598 -8.972 10.633 1.00 0.88 H new ATOM 0 HD1 PHE A 91 -4.124 -6.259 11.007 1.00 1.26 H new ATOM 0 HD2 PHE A 91 -6.214 -9.410 12.965 1.00 1.70 H new ATOM 0 HE1 PHE A 91 -3.404 -5.381 13.184 1.00 1.75 H new ATOM 0 HE2 PHE A 91 -5.498 -8.534 15.144 1.00 2.30 H new ATOM 0 HZ PHE A 91 -4.088 -6.518 15.258 1.00 2.23 H new ATOM 1439 N ARG A 92 -5.336 -11.449 10.738 1.00 0.96 N ATOM 1440 CA ARG A 92 -5.257 -12.579 11.640 1.00 1.11 C ATOM 1441 C ARG A 92 -4.301 -13.634 11.105 1.00 0.83 C ATOM 1442 O ARG A 92 -3.614 -14.316 11.866 1.00 0.90 O ATOM 1443 CB ARG A 92 -6.645 -13.177 11.852 1.00 1.53 C ATOM 1444 CG ARG A 92 -7.127 -14.042 10.703 1.00 1.62 C ATOM 1445 CD ARG A 92 -8.511 -13.636 10.251 1.00 2.21 C ATOM 1446 NE ARG A 92 -9.516 -13.815 11.295 1.00 3.27 N ATOM 1447 CZ ARG A 92 -10.828 -13.708 11.094 1.00 4.05 C ATOM 1448 NH1 ARG A 92 -11.309 -13.572 9.864 1.00 3.96 N ATOM 1449 NH2 ARG A 92 -11.660 -13.776 12.122 1.00 5.06 N ATOM 0 H ARG A 92 -6.189 -11.409 10.180 1.00 0.96 H new ATOM 0 HA ARG A 92 -4.872 -12.229 12.598 1.00 1.11 H new ATOM 0 HB2 ARG A 92 -6.637 -13.774 12.764 1.00 1.53 H new ATOM 0 HB3 ARG A 92 -7.358 -12.367 12.008 1.00 1.53 H new ATOM 0 HG2 ARG A 92 -6.431 -13.961 9.868 1.00 1.62 H new ATOM 0 HG3 ARG A 92 -7.135 -15.088 11.011 1.00 1.62 H new ATOM 0 HD2 ARG A 92 -8.496 -12.591 9.941 1.00 2.21 H new ATOM 0 HD3 ARG A 92 -8.791 -14.224 9.377 1.00 2.21 H new ATOM 0 HE ARG A 92 -9.193 -14.036 12.237 1.00 3.27 H new ATOM 0 HH11 ARG A 92 -10.673 -13.549 9.067 1.00 3.96 H new ATOM 0 HH12 ARG A 92 -12.315 -13.490 9.716 1.00 3.96 H new ATOM 0 HH21 ARG A 92 -11.295 -13.910 13.065 1.00 5.06 H new ATOM 0 HH22 ARG A 92 -12.665 -13.694 11.971 1.00 5.06 H new ATOM 1463 N ASP A 93 -4.247 -13.743 9.791 1.00 0.84 N ATOM 1464 CA ASP A 93 -3.463 -14.778 9.141 1.00 1.10 C ATOM 1465 C ASP A 93 -2.072 -14.300 8.755 1.00 1.31 C ATOM 1466 O ASP A 93 -1.435 -14.919 7.904 1.00 1.88 O ATOM 1467 CB ASP A 93 -4.183 -15.297 7.889 1.00 1.65 C ATOM 1468 CG ASP A 93 -5.152 -16.427 8.179 1.00 2.40 C ATOM 1469 OD1 ASP A 93 -4.730 -17.602 8.173 1.00 2.58 O ATOM 1470 OD2 ASP A 93 -6.345 -16.144 8.429 1.00 3.12 O ATOM 0 H ASP A 93 -4.740 -13.123 9.148 1.00 0.84 H new ATOM 0 HA ASP A 93 -3.353 -15.583 9.868 1.00 1.10 H new ATOM 0 HB2 ASP A 93 -4.725 -14.474 7.422 1.00 1.65 H new ATOM 0 HB3 ASP A 93 -3.441 -15.640 7.168 1.00 1.65 H new ATOM 1475 N GLY A 94 -1.562 -13.227 9.363 1.00 1.11 N ATOM 1476 CA GLY A 94 -0.213 -12.842 9.004 1.00 1.69 C ATOM 1477 C GLY A 94 -0.006 -11.378 8.654 1.00 1.62 C ATOM 1478 O GLY A 94 0.156 -11.053 7.476 1.00 2.31 O ATOM 0 H GLY A 94 -2.031 -12.648 10.059 1.00 1.11 H new ATOM 0 HA2 GLY A 94 0.448 -13.093 9.834 1.00 1.69 H new ATOM 0 HA3 GLY A 94 0.101 -13.446 8.153 1.00 1.69 H new ATOM 1482 N VAL A 95 -0.069 -10.471 9.622 1.00 0.85 N ATOM 1483 CA VAL A 95 0.307 -9.091 9.330 1.00 0.67 C ATOM 1484 C VAL A 95 1.817 -8.938 9.240 1.00 0.62 C ATOM 1485 O VAL A 95 2.519 -8.857 10.246 1.00 0.61 O ATOM 1486 CB VAL A 95 -0.216 -8.067 10.355 1.00 0.59 C ATOM 1487 CG1 VAL A 95 0.155 -6.651 9.923 1.00 0.84 C ATOM 1488 CG2 VAL A 95 -1.711 -8.194 10.534 1.00 1.06 C ATOM 0 H VAL A 95 -0.365 -10.654 10.581 1.00 0.85 H new ATOM 0 HA VAL A 95 -0.164 -8.877 8.371 1.00 0.67 H new ATOM 0 HB VAL A 95 0.255 -8.274 11.316 1.00 0.59 H new ATOM 0 HG11 VAL A 95 -0.220 -5.937 10.656 1.00 0.84 H new ATOM 0 HG12 VAL A 95 1.239 -6.564 9.854 1.00 0.84 H new ATOM 0 HG13 VAL A 95 -0.289 -6.439 8.950 1.00 0.84 H new ATOM 0 HG21 VAL A 95 -2.054 -7.460 11.263 1.00 1.06 H new ATOM 0 HG22 VAL A 95 -2.208 -8.018 9.580 1.00 1.06 H new ATOM 0 HG23 VAL A 95 -1.951 -9.196 10.888 1.00 1.06 H new ATOM 1498 N ASN A 96 2.302 -8.935 8.019 1.00 0.76 N ATOM 1499 CA ASN A 96 3.714 -8.738 7.742 1.00 0.86 C ATOM 1500 C ASN A 96 3.911 -7.422 7.016 1.00 0.72 C ATOM 1501 O ASN A 96 2.971 -6.637 6.874 1.00 0.62 O ATOM 1502 CB ASN A 96 4.248 -9.896 6.899 1.00 1.17 C ATOM 1503 CG ASN A 96 3.912 -11.226 7.522 1.00 1.47 C ATOM 1504 OD1 ASN A 96 2.699 -11.676 7.278 1.00 2.12 O flip ATOM 1505 ND2 ASN A 96 4.723 -11.833 8.222 1.00 1.67 N flip ATOM 0 H ASN A 96 1.730 -9.069 7.185 1.00 0.76 H new ATOM 0 HA ASN A 96 4.266 -8.710 8.682 1.00 0.86 H new ATOM 0 HB2 ASN A 96 3.824 -9.844 5.896 1.00 1.17 H new ATOM 0 HB3 ASN A 96 5.329 -9.804 6.794 1.00 1.17 H new ATOM 0 HD21 ASN A 96 5.652 -11.443 8.382 1.00 1.67 H new ATOM 0 HD22 ASN A 96 4.466 -12.726 8.642 1.00 1.67 H new ATOM 1512 N TRP A 97 5.122 -7.198 6.536 1.00 0.77 N ATOM 1513 CA TRP A 97 5.442 -5.996 5.788 1.00 0.72 C ATOM 1514 C TRP A 97 4.607 -5.918 4.511 1.00 0.63 C ATOM 1515 O TRP A 97 4.010 -4.887 4.205 1.00 0.59 O ATOM 1516 CB TRP A 97 6.933 -5.977 5.434 1.00 0.86 C ATOM 1517 CG TRP A 97 7.837 -6.141 6.622 1.00 0.68 C ATOM 1518 CD1 TRP A 97 8.403 -5.147 7.367 1.00 0.83 C ATOM 1519 CD2 TRP A 97 8.287 -7.376 7.195 1.00 1.43 C ATOM 1520 NE1 TRP A 97 9.178 -5.686 8.365 1.00 0.99 N ATOM 1521 CE2 TRP A 97 9.120 -7.053 8.282 1.00 1.60 C ATOM 1522 CE3 TRP A 97 8.065 -8.723 6.894 1.00 2.29 C ATOM 1523 CZ2 TRP A 97 9.731 -8.026 9.067 1.00 2.54 C ATOM 1524 CZ3 TRP A 97 8.670 -9.688 7.676 1.00 3.24 C ATOM 1525 CH2 TRP A 97 9.495 -9.336 8.751 1.00 3.34 C ATOM 0 H TRP A 97 5.906 -7.840 6.653 1.00 0.77 H new ATOM 0 HA TRP A 97 5.209 -5.132 6.411 1.00 0.72 H new ATOM 0 HB2 TRP A 97 7.138 -6.774 4.720 1.00 0.86 H new ATOM 0 HB3 TRP A 97 7.168 -5.036 4.937 1.00 0.86 H new ATOM 0 HD1 TRP A 97 8.262 -4.090 7.197 1.00 0.83 H new ATOM 0 HE1 TRP A 97 9.710 -5.156 9.055 1.00 0.99 H new ATOM 0 HE3 TRP A 97 7.432 -9.004 6.065 1.00 2.29 H new ATOM 0 HZ2 TRP A 97 10.369 -7.757 9.896 1.00 2.54 H new ATOM 0 HZ3 TRP A 97 8.504 -10.732 7.454 1.00 3.24 H new ATOM 0 HH2 TRP A 97 9.954 -10.114 9.343 1.00 3.34 H new ATOM 1536 N GLY A 98 4.547 -7.030 3.789 1.00 0.69 N ATOM 1537 CA GLY A 98 3.883 -7.051 2.502 1.00 0.69 C ATOM 1538 C GLY A 98 2.369 -7.125 2.592 1.00 0.62 C ATOM 1539 O GLY A 98 1.675 -6.768 1.643 1.00 0.61 O ATOM 0 H GLY A 98 4.949 -7.922 4.075 1.00 0.69 H new ATOM 0 HA2 GLY A 98 4.161 -6.155 1.946 1.00 0.69 H new ATOM 0 HA3 GLY A 98 4.245 -7.906 1.931 1.00 0.69 H new ATOM 1543 N ARG A 99 1.847 -7.571 3.728 1.00 0.65 N ATOM 1544 CA ARG A 99 0.409 -7.749 3.872 1.00 0.67 C ATOM 1545 C ARG A 99 -0.286 -6.392 3.882 1.00 0.53 C ATOM 1546 O ARG A 99 -1.427 -6.256 3.439 1.00 0.55 O ATOM 1547 CB ARG A 99 0.095 -8.563 5.145 1.00 0.82 C ATOM 1548 CG ARG A 99 -0.515 -7.781 6.310 1.00 1.04 C ATOM 1549 CD ARG A 99 -2.000 -7.521 6.095 1.00 1.50 C ATOM 1550 NE ARG A 99 -2.658 -6.957 7.279 1.00 2.48 N ATOM 1551 CZ ARG A 99 -3.825 -6.311 7.240 1.00 3.32 C ATOM 1552 NH1 ARG A 99 -4.364 -5.985 6.073 1.00 3.44 N ATOM 1553 NH2 ARG A 99 -4.447 -5.980 8.365 1.00 4.24 N ATOM 0 H ARG A 99 2.392 -7.814 4.555 1.00 0.65 H new ATOM 0 HA ARG A 99 0.027 -8.313 3.021 1.00 0.67 H new ATOM 0 HB2 ARG A 99 -0.589 -9.369 4.877 1.00 0.82 H new ATOM 0 HB3 ARG A 99 1.018 -9.029 5.490 1.00 0.82 H new ATOM 0 HG2 ARG A 99 -0.373 -8.338 7.236 1.00 1.04 H new ATOM 0 HG3 ARG A 99 0.008 -6.832 6.425 1.00 1.04 H new ATOM 0 HD2 ARG A 99 -2.126 -6.838 5.255 1.00 1.50 H new ATOM 0 HD3 ARG A 99 -2.492 -8.455 5.823 1.00 1.50 H new ATOM 0 HE ARG A 99 -2.197 -7.065 8.183 1.00 2.48 H new ATOM 0 HH11 ARG A 99 -3.887 -6.228 5.205 1.00 3.44 H new ATOM 0 HH12 ARG A 99 -5.256 -5.491 6.043 1.00 3.44 H new ATOM 0 HH21 ARG A 99 -4.033 -6.219 9.266 1.00 4.24 H new ATOM 0 HH22 ARG A 99 -5.339 -5.486 8.328 1.00 4.24 H new ATOM 1567 N ILE A 100 0.406 -5.383 4.380 1.00 0.44 N ATOM 1568 CA ILE A 100 -0.173 -4.060 4.477 1.00 0.36 C ATOM 1569 C ILE A 100 -0.191 -3.378 3.109 1.00 0.33 C ATOM 1570 O ILE A 100 -1.107 -2.615 2.799 1.00 0.34 O ATOM 1571 CB ILE A 100 0.563 -3.202 5.518 1.00 0.32 C ATOM 1572 CG1 ILE A 100 0.442 -3.861 6.895 1.00 0.33 C ATOM 1573 CG2 ILE A 100 -0.010 -1.798 5.537 1.00 0.34 C ATOM 1574 CD1 ILE A 100 1.232 -3.168 7.977 1.00 0.34 C ATOM 0 H ILE A 100 1.364 -5.456 4.721 1.00 0.44 H new ATOM 0 HA ILE A 100 -1.204 -4.167 4.815 1.00 0.36 H new ATOM 0 HB ILE A 100 1.618 -3.131 5.254 1.00 0.32 H new ATOM 0 HG12 ILE A 100 -0.609 -3.884 7.184 1.00 0.33 H new ATOM 0 HG13 ILE A 100 0.776 -4.896 6.822 1.00 0.33 H new ATOM 0 HG21 ILE A 100 0.519 -1.199 6.278 1.00 0.34 H new ATOM 0 HG22 ILE A 100 0.107 -1.344 4.553 1.00 0.34 H new ATOM 0 HG23 ILE A 100 -1.069 -1.840 5.793 1.00 0.34 H new ATOM 0 HD11 ILE A 100 1.095 -3.694 8.922 1.00 0.34 H new ATOM 0 HD12 ILE A 100 2.289 -3.168 7.712 1.00 0.34 H new ATOM 0 HD13 ILE A 100 0.884 -2.140 8.080 1.00 0.34 H new ATOM 1586 N VAL A 101 0.804 -3.682 2.282 1.00 0.33 N ATOM 1587 CA VAL A 101 0.801 -3.229 0.893 1.00 0.35 C ATOM 1588 C VAL A 101 -0.386 -3.864 0.148 1.00 0.37 C ATOM 1589 O VAL A 101 -0.889 -3.321 -0.831 1.00 0.45 O ATOM 1590 CB VAL A 101 2.124 -3.551 0.146 1.00 0.46 C ATOM 1591 CG1 VAL A 101 3.255 -3.809 1.122 1.00 1.35 C ATOM 1592 CG2 VAL A 101 1.950 -4.703 -0.825 1.00 1.32 C ATOM 0 H VAL A 101 1.618 -4.236 2.546 1.00 0.33 H new ATOM 0 HA VAL A 101 0.705 -2.143 0.910 1.00 0.35 H new ATOM 0 HB VAL A 101 2.392 -2.674 -0.443 1.00 0.46 H new ATOM 0 HG11 VAL A 101 4.168 -4.032 0.570 1.00 1.35 H new ATOM 0 HG12 VAL A 101 3.411 -2.925 1.740 1.00 1.35 H new ATOM 0 HG13 VAL A 101 3.000 -4.656 1.759 1.00 1.35 H new ATOM 0 HG21 VAL A 101 2.896 -4.900 -1.329 1.00 1.32 H new ATOM 0 HG22 VAL A 101 1.637 -5.594 -0.280 1.00 1.32 H new ATOM 0 HG23 VAL A 101 1.192 -4.444 -1.564 1.00 1.32 H new ATOM 1602 N ALA A 102 -0.827 -5.028 0.618 1.00 0.37 N ATOM 1603 CA ALA A 102 -2.033 -5.650 0.087 1.00 0.39 C ATOM 1604 C ALA A 102 -3.248 -4.897 0.585 1.00 0.35 C ATOM 1605 O ALA A 102 -4.124 -4.522 -0.188 1.00 0.34 O ATOM 1606 CB ALA A 102 -2.123 -7.107 0.505 1.00 0.44 C ATOM 0 H ALA A 102 -0.369 -5.556 1.361 1.00 0.37 H new ATOM 0 HA ALA A 102 -1.994 -5.610 -1.002 1.00 0.39 H new ATOM 0 HB1 ALA A 102 -3.032 -7.547 0.096 1.00 0.44 H new ATOM 0 HB2 ALA A 102 -1.256 -7.648 0.127 1.00 0.44 H new ATOM 0 HB3 ALA A 102 -2.146 -7.173 1.593 1.00 0.44 H new ATOM 1612 N PHE A 103 -3.265 -4.674 1.890 1.00 0.35 N ATOM 1613 CA PHE A 103 -4.328 -3.935 2.552 1.00 0.34 C ATOM 1614 C PHE A 103 -4.610 -2.608 1.856 1.00 0.31 C ATOM 1615 O PHE A 103 -5.741 -2.345 1.444 1.00 0.32 O ATOM 1616 CB PHE A 103 -3.936 -3.698 4.013 1.00 0.36 C ATOM 1617 CG PHE A 103 -4.733 -2.626 4.705 1.00 0.62 C ATOM 1618 CD1 PHE A 103 -6.051 -2.857 5.070 1.00 0.67 C ATOM 1619 CD2 PHE A 103 -4.169 -1.397 4.990 1.00 1.03 C ATOM 1620 CE1 PHE A 103 -6.789 -1.880 5.707 1.00 1.09 C ATOM 1621 CE2 PHE A 103 -4.904 -0.416 5.627 1.00 1.48 C ATOM 1622 CZ PHE A 103 -6.192 -0.638 5.978 1.00 1.49 C ATOM 0 H PHE A 103 -2.536 -5.003 2.524 1.00 0.35 H new ATOM 0 HA PHE A 103 -5.243 -4.525 2.504 1.00 0.34 H new ATOM 0 HB2 PHE A 103 -4.051 -4.632 4.563 1.00 0.36 H new ATOM 0 HB3 PHE A 103 -2.880 -3.432 4.054 1.00 0.36 H new ATOM 0 HD1 PHE A 103 -6.505 -3.813 4.853 1.00 0.67 H new ATOM 0 HD2 PHE A 103 -3.144 -1.202 4.712 1.00 1.03 H new ATOM 0 HE1 PHE A 103 -7.813 -2.068 5.994 1.00 1.09 H new ATOM 0 HE2 PHE A 103 -4.446 0.537 5.847 1.00 1.48 H new ATOM 0 HZ PHE A 103 -6.761 0.140 6.466 1.00 1.49 H new ATOM 1632 N PHE A 104 -3.580 -1.786 1.702 1.00 0.33 N ATOM 1633 CA PHE A 104 -3.768 -0.450 1.164 1.00 0.40 C ATOM 1634 C PHE A 104 -4.065 -0.507 -0.340 1.00 0.39 C ATOM 1635 O PHE A 104 -4.607 0.437 -0.915 1.00 0.47 O ATOM 1636 CB PHE A 104 -2.553 0.443 1.490 1.00 0.56 C ATOM 1637 CG PHE A 104 -1.520 0.559 0.406 1.00 0.97 C ATOM 1638 CD1 PHE A 104 -0.911 -0.557 -0.126 1.00 1.47 C ATOM 1639 CD2 PHE A 104 -1.149 1.802 -0.065 1.00 1.79 C ATOM 1640 CE1 PHE A 104 0.044 -0.440 -1.114 1.00 2.61 C ATOM 1641 CE2 PHE A 104 -0.194 1.927 -1.051 1.00 2.90 C ATOM 1642 CZ PHE A 104 0.400 0.804 -1.576 1.00 3.29 C ATOM 0 H PHE A 104 -2.616 -2.020 1.940 1.00 0.33 H new ATOM 0 HA PHE A 104 -4.636 0.004 1.642 1.00 0.40 H new ATOM 0 HB2 PHE A 104 -2.914 1.443 1.730 1.00 0.56 H new ATOM 0 HB3 PHE A 104 -2.070 0.054 2.387 1.00 0.56 H new ATOM 0 HD1 PHE A 104 -1.185 -1.537 0.236 1.00 1.47 H new ATOM 0 HD2 PHE A 104 -1.613 2.688 0.344 1.00 1.79 H new ATOM 0 HE1 PHE A 104 0.511 -1.324 -1.523 1.00 2.61 H new ATOM 0 HE2 PHE A 104 0.087 2.906 -1.411 1.00 2.90 H new ATOM 0 HZ PHE A 104 1.146 0.899 -2.351 1.00 3.29 H new ATOM 1652 N SER A 105 -3.735 -1.636 -0.962 1.00 0.37 N ATOM 1653 CA SER A 105 -4.012 -1.841 -2.375 1.00 0.44 C ATOM 1654 C SER A 105 -5.464 -2.280 -2.579 1.00 0.40 C ATOM 1655 O SER A 105 -6.154 -1.778 -3.470 1.00 0.45 O ATOM 1656 CB SER A 105 -3.052 -2.883 -2.958 1.00 0.50 C ATOM 1657 OG SER A 105 -3.194 -2.985 -4.364 1.00 1.19 O ATOM 0 H SER A 105 -3.274 -2.423 -0.505 1.00 0.37 H new ATOM 0 HA SER A 105 -3.862 -0.897 -2.898 1.00 0.44 H new ATOM 0 HB2 SER A 105 -2.025 -2.612 -2.713 1.00 0.50 H new ATOM 0 HB3 SER A 105 -3.243 -3.853 -2.500 1.00 0.50 H new ATOM 0 HG SER A 105 -3.722 -3.781 -4.583 1.00 1.19 H new ATOM 1663 N PHE A 106 -5.925 -3.211 -1.745 1.00 0.35 N ATOM 1664 CA PHE A 106 -7.301 -3.691 -1.816 1.00 0.37 C ATOM 1665 C PHE A 106 -8.263 -2.571 -1.465 1.00 0.31 C ATOM 1666 O PHE A 106 -9.306 -2.426 -2.087 1.00 0.30 O ATOM 1667 CB PHE A 106 -7.534 -4.877 -0.873 1.00 0.46 C ATOM 1668 CG PHE A 106 -6.651 -6.063 -1.139 1.00 0.99 C ATOM 1669 CD1 PHE A 106 -6.200 -6.322 -2.421 1.00 1.56 C ATOM 1670 CD2 PHE A 106 -6.273 -6.916 -0.115 1.00 1.64 C ATOM 1671 CE1 PHE A 106 -5.388 -7.408 -2.679 1.00 2.46 C ATOM 1672 CE2 PHE A 106 -5.463 -8.005 -0.368 1.00 2.53 C ATOM 1673 CZ PHE A 106 -5.021 -8.259 -1.613 1.00 2.89 C ATOM 0 H PHE A 106 -5.364 -3.647 -1.013 1.00 0.35 H new ATOM 0 HA PHE A 106 -7.480 -4.026 -2.838 1.00 0.37 H new ATOM 0 HB2 PHE A 106 -7.378 -4.546 0.154 1.00 0.46 H new ATOM 0 HB3 PHE A 106 -8.575 -5.189 -0.952 1.00 0.46 H new ATOM 0 HD1 PHE A 106 -6.487 -5.666 -3.230 1.00 1.56 H new ATOM 0 HD2 PHE A 106 -6.616 -6.727 0.892 1.00 1.64 H new ATOM 0 HE1 PHE A 106 -5.038 -7.604 -3.682 1.00 2.46 H new ATOM 0 HE2 PHE A 106 -5.181 -8.660 0.443 1.00 2.53 H new ATOM 0 HZ PHE A 106 -4.386 -9.113 -1.797 1.00 2.89 H new ATOM 1683 N GLY A 107 -7.899 -1.775 -0.471 1.00 0.30 N ATOM 1684 CA GLY A 107 -8.708 -0.633 -0.101 1.00 0.28 C ATOM 1685 C GLY A 107 -8.768 0.391 -1.210 1.00 0.24 C ATOM 1686 O GLY A 107 -9.805 1.016 -1.439 1.00 0.27 O ATOM 0 H GLY A 107 -7.055 -1.900 0.088 1.00 0.30 H new ATOM 0 HA2 GLY A 107 -9.717 -0.965 0.143 1.00 0.28 H new ATOM 0 HA3 GLY A 107 -8.298 -0.173 0.798 1.00 0.28 H new ATOM 1690 N GLY A 108 -7.652 0.562 -1.905 1.00 0.23 N ATOM 1691 CA GLY A 108 -7.629 1.439 -3.052 1.00 0.22 C ATOM 1692 C GLY A 108 -8.482 0.895 -4.182 1.00 0.22 C ATOM 1693 O GLY A 108 -9.107 1.648 -4.926 1.00 0.23 O ATOM 0 H GLY A 108 -6.764 0.108 -1.693 1.00 0.23 H new ATOM 0 HA2 GLY A 108 -7.990 2.426 -2.764 1.00 0.22 H new ATOM 0 HA3 GLY A 108 -6.602 1.563 -3.396 1.00 0.22 H new ATOM 1697 N ALA A 109 -8.501 -0.425 -4.301 1.00 0.24 N ATOM 1698 CA ALA A 109 -9.326 -1.102 -5.289 1.00 0.26 C ATOM 1699 C ALA A 109 -10.797 -1.031 -4.894 1.00 0.27 C ATOM 1700 O ALA A 109 -11.673 -0.905 -5.748 1.00 0.31 O ATOM 1701 CB ALA A 109 -8.878 -2.548 -5.425 1.00 0.29 C ATOM 0 H ALA A 109 -7.948 -1.053 -3.718 1.00 0.24 H new ATOM 0 HA ALA A 109 -9.210 -0.604 -6.252 1.00 0.26 H new ATOM 0 HB1 ALA A 109 -9.498 -3.053 -6.166 1.00 0.29 H new ATOM 0 HB2 ALA A 109 -7.836 -2.578 -5.743 1.00 0.29 H new ATOM 0 HB3 ALA A 109 -8.979 -3.052 -4.464 1.00 0.29 H new ATOM 1707 N LEU A 110 -11.034 -1.070 -3.587 1.00 0.25 N ATOM 1708 CA LEU A 110 -12.381 -1.004 -3.019 1.00 0.28 C ATOM 1709 C LEU A 110 -13.013 0.314 -3.429 1.00 0.24 C ATOM 1710 O LEU A 110 -14.201 0.401 -3.756 1.00 0.24 O ATOM 1711 CB LEU A 110 -12.289 -1.087 -1.490 1.00 0.32 C ATOM 1712 CG LEU A 110 -13.326 -1.974 -0.788 1.00 0.45 C ATOM 1713 CD1 LEU A 110 -14.739 -1.448 -0.975 1.00 1.11 C ATOM 1714 CD2 LEU A 110 -13.222 -3.409 -1.282 1.00 1.12 C ATOM 0 H LEU A 110 -10.296 -1.149 -2.887 1.00 0.25 H new ATOM 0 HA LEU A 110 -12.989 -1.832 -3.384 1.00 0.28 H new ATOM 0 HB2 LEU A 110 -11.296 -1.451 -1.227 1.00 0.32 H new ATOM 0 HB3 LEU A 110 -12.376 -0.078 -1.088 1.00 0.32 H new ATOM 0 HG LEU A 110 -13.107 -1.951 0.279 1.00 0.45 H new ATOM 0 HD11 LEU A 110 -15.442 -2.104 -0.463 1.00 1.11 H new ATOM 0 HD12 LEU A 110 -14.811 -0.443 -0.559 1.00 1.11 H new ATOM 0 HD13 LEU A 110 -14.979 -1.418 -2.038 1.00 1.11 H new ATOM 0 HD21 LEU A 110 -13.965 -4.024 -0.773 1.00 1.12 H new ATOM 0 HD22 LEU A 110 -13.402 -3.438 -2.357 1.00 1.12 H new ATOM 0 HD23 LEU A 110 -12.225 -3.795 -1.070 1.00 1.12 H new ATOM 1726 N CYS A 111 -12.177 1.340 -3.393 1.00 0.21 N ATOM 1727 CA CYS A 111 -12.523 2.660 -3.875 1.00 0.19 C ATOM 1728 C CYS A 111 -13.053 2.581 -5.302 1.00 0.20 C ATOM 1729 O CYS A 111 -14.164 3.033 -5.588 1.00 0.26 O ATOM 1730 CB CYS A 111 -11.273 3.533 -3.808 1.00 0.20 C ATOM 1731 SG CYS A 111 -11.443 5.165 -4.541 1.00 0.22 S ATOM 0 H CYS A 111 -11.229 1.274 -3.023 1.00 0.21 H new ATOM 0 HA CYS A 111 -13.309 3.093 -3.256 1.00 0.19 H new ATOM 0 HB2 CYS A 111 -10.985 3.649 -2.763 1.00 0.20 H new ATOM 0 HB3 CYS A 111 -10.457 3.011 -4.307 1.00 0.20 H new ATOM 0 HG CYS A 111 -10.414 5.893 -4.222 1.00 0.22 H new ATOM 1737 N VAL A 112 -12.270 1.964 -6.182 1.00 0.20 N ATOM 1738 CA VAL A 112 -12.647 1.825 -7.582 1.00 0.22 C ATOM 1739 C VAL A 112 -13.936 1.025 -7.738 1.00 0.22 C ATOM 1740 O VAL A 112 -14.789 1.386 -8.540 1.00 0.26 O ATOM 1741 CB VAL A 112 -11.537 1.155 -8.414 1.00 0.26 C ATOM 1742 CG1 VAL A 112 -12.044 0.803 -9.798 1.00 0.35 C ATOM 1743 CG2 VAL A 112 -10.333 2.067 -8.530 1.00 0.27 C ATOM 0 H VAL A 112 -11.367 1.551 -5.947 1.00 0.20 H new ATOM 0 HA VAL A 112 -12.804 2.837 -7.955 1.00 0.22 H new ATOM 0 HB VAL A 112 -11.241 0.239 -7.902 1.00 0.26 H new ATOM 0 HG11 VAL A 112 -11.245 0.331 -10.369 1.00 0.35 H new ATOM 0 HG12 VAL A 112 -12.885 0.115 -9.713 1.00 0.35 H new ATOM 0 HG13 VAL A 112 -12.368 1.710 -10.308 1.00 0.35 H new ATOM 0 HG21 VAL A 112 -9.560 1.576 -9.121 1.00 0.27 H new ATOM 0 HG22 VAL A 112 -10.626 2.997 -9.017 1.00 0.27 H new ATOM 0 HG23 VAL A 112 -9.945 2.286 -7.535 1.00 0.27 H new ATOM 1753 N GLU A 113 -14.076 -0.059 -6.979 1.00 0.23 N ATOM 1754 CA GLU A 113 -15.294 -0.864 -7.024 1.00 0.28 C ATOM 1755 C GLU A 113 -16.521 -0.005 -6.743 1.00 0.23 C ATOM 1756 O GLU A 113 -17.590 -0.217 -7.317 1.00 0.29 O ATOM 1757 CB GLU A 113 -15.225 -2.016 -6.021 1.00 0.40 C ATOM 1758 CG GLU A 113 -14.278 -3.129 -6.428 1.00 0.53 C ATOM 1759 CD GLU A 113 -13.970 -4.083 -5.298 1.00 1.86 C ATOM 1760 OE1 GLU A 113 -13.083 -3.769 -4.481 1.00 2.51 O ATOM 1761 OE2 GLU A 113 -14.619 -5.146 -5.234 1.00 2.34 O ATOM 0 H GLU A 113 -13.367 -0.399 -6.330 1.00 0.23 H new ATOM 0 HA GLU A 113 -15.379 -1.280 -8.028 1.00 0.28 H new ATOM 0 HB2 GLU A 113 -14.914 -1.624 -5.053 1.00 0.40 H new ATOM 0 HB3 GLU A 113 -16.224 -2.432 -5.891 1.00 0.40 H new ATOM 0 HG2 GLU A 113 -14.715 -3.685 -7.257 1.00 0.53 H new ATOM 0 HG3 GLU A 113 -13.348 -2.693 -6.792 1.00 0.53 H new ATOM 1768 N SER A 114 -16.352 0.985 -5.884 1.00 0.18 N ATOM 1769 CA SER A 114 -17.429 1.893 -5.551 1.00 0.19 C ATOM 1770 C SER A 114 -17.659 2.845 -6.712 1.00 0.22 C ATOM 1771 O SER A 114 -18.787 3.151 -7.073 1.00 0.28 O ATOM 1772 CB SER A 114 -17.078 2.662 -4.282 1.00 0.18 C ATOM 1773 OG SER A 114 -16.788 1.769 -3.219 1.00 0.20 O ATOM 0 H SER A 114 -15.473 1.179 -5.404 1.00 0.18 H new ATOM 0 HA SER A 114 -18.346 1.332 -5.370 1.00 0.19 H new ATOM 0 HB2 SER A 114 -16.218 3.306 -4.467 1.00 0.18 H new ATOM 0 HB3 SER A 114 -17.908 3.311 -4.002 1.00 0.18 H new ATOM 0 HG SER A 114 -15.929 1.328 -3.387 1.00 0.20 H new ATOM 1779 N VAL A 115 -16.567 3.248 -7.330 1.00 0.21 N ATOM 1780 CA VAL A 115 -16.598 4.167 -8.453 1.00 0.27 C ATOM 1781 C VAL A 115 -17.249 3.490 -9.645 1.00 0.28 C ATOM 1782 O VAL A 115 -17.954 4.112 -10.442 1.00 0.31 O ATOM 1783 CB VAL A 115 -15.166 4.580 -8.823 1.00 0.34 C ATOM 1784 CG1 VAL A 115 -15.157 5.488 -10.031 1.00 1.23 C ATOM 1785 CG2 VAL A 115 -14.487 5.238 -7.639 1.00 1.10 C ATOM 0 H VAL A 115 -15.629 2.947 -7.067 1.00 0.21 H new ATOM 0 HA VAL A 115 -17.171 5.052 -8.177 1.00 0.27 H new ATOM 0 HB VAL A 115 -14.605 3.682 -9.084 1.00 0.34 H new ATOM 0 HG11 VAL A 115 -14.130 5.765 -10.270 1.00 1.23 H new ATOM 0 HG12 VAL A 115 -15.600 4.968 -10.880 1.00 1.23 H new ATOM 0 HG13 VAL A 115 -15.734 6.387 -9.815 1.00 1.23 H new ATOM 0 HG21 VAL A 115 -13.473 5.526 -7.915 1.00 1.10 H new ATOM 0 HG22 VAL A 115 -15.048 6.125 -7.344 1.00 1.10 H new ATOM 0 HG23 VAL A 115 -14.451 4.537 -6.805 1.00 1.10 H new ATOM 1795 N ASP A 116 -16.997 2.202 -9.721 1.00 0.28 N ATOM 1796 CA ASP A 116 -17.507 1.331 -10.761 1.00 0.34 C ATOM 1797 C ASP A 116 -19.018 1.471 -10.912 1.00 0.35 C ATOM 1798 O ASP A 116 -19.527 1.681 -12.012 1.00 0.41 O ATOM 1799 CB ASP A 116 -17.144 -0.097 -10.378 1.00 0.37 C ATOM 1800 CG ASP A 116 -17.429 -1.113 -11.468 1.00 0.48 C ATOM 1801 OD1 ASP A 116 -18.622 -1.418 -11.703 1.00 0.60 O ATOM 1802 OD2 ASP A 116 -16.476 -1.593 -12.108 1.00 0.60 O ATOM 0 H ASP A 116 -16.414 1.715 -9.040 1.00 0.28 H new ATOM 0 HA ASP A 116 -17.066 1.601 -11.720 1.00 0.34 H new ATOM 0 HB2 ASP A 116 -16.085 -0.137 -10.124 1.00 0.37 H new ATOM 0 HB3 ASP A 116 -17.698 -0.375 -9.481 1.00 0.37 H new ATOM 1807 N LYS A 117 -19.726 1.377 -9.794 1.00 0.32 N ATOM 1808 CA LYS A 117 -21.180 1.471 -9.797 1.00 0.35 C ATOM 1809 C LYS A 117 -21.623 2.921 -9.628 1.00 0.34 C ATOM 1810 O LYS A 117 -22.799 3.193 -9.380 1.00 0.37 O ATOM 1811 CB LYS A 117 -21.774 0.634 -8.660 1.00 0.37 C ATOM 1812 CG LYS A 117 -20.892 -0.509 -8.179 1.00 0.36 C ATOM 1813 CD LYS A 117 -20.635 -1.530 -9.264 1.00 0.45 C ATOM 1814 CE LYS A 117 -20.083 -2.819 -8.683 1.00 0.61 C ATOM 1815 NZ LYS A 117 -21.094 -3.515 -7.843 1.00 1.62 N ATOM 0 H LYS A 117 -19.316 1.235 -8.871 1.00 0.32 H new ATOM 0 HA LYS A 117 -21.538 1.091 -10.754 1.00 0.35 H new ATOM 0 HB2 LYS A 117 -21.985 1.291 -7.816 1.00 0.37 H new ATOM 0 HB3 LYS A 117 -22.728 0.223 -8.990 1.00 0.37 H new ATOM 0 HG2 LYS A 117 -19.941 -0.108 -7.827 1.00 0.36 H new ATOM 0 HG3 LYS A 117 -21.366 -0.998 -7.328 1.00 0.36 H new ATOM 0 HD2 LYS A 117 -21.561 -1.737 -9.800 1.00 0.45 H new ATOM 0 HD3 LYS A 117 -19.931 -1.124 -9.990 1.00 0.45 H new ATOM 0 HE2 LYS A 117 -19.765 -3.477 -9.492 1.00 0.61 H new ATOM 0 HE3 LYS A 117 -19.199 -2.600 -8.084 1.00 0.61 H new ATOM 0 HZ1 LYS A 117 -20.850 -4.523 -7.770 1.00 1.62 H new ATOM 0 HZ2 LYS A 117 -21.106 -3.092 -6.893 1.00 1.62 H new ATOM 0 HZ3 LYS A 117 -22.034 -3.417 -8.278 1.00 1.62 H new ATOM 1829 N GLU A 118 -20.666 3.838 -9.758 1.00 0.31 N ATOM 1830 CA GLU A 118 -20.906 5.264 -9.555 1.00 0.33 C ATOM 1831 C GLU A 118 -21.355 5.533 -8.126 1.00 0.31 C ATOM 1832 O GLU A 118 -22.417 6.095 -7.874 1.00 0.38 O ATOM 1833 CB GLU A 118 -21.916 5.808 -10.565 1.00 0.40 C ATOM 1834 CG GLU A 118 -21.402 5.765 -11.990 1.00 0.49 C ATOM 1835 CD GLU A 118 -22.369 6.384 -12.968 1.00 1.12 C ATOM 1836 OE1 GLU A 118 -22.430 7.627 -13.042 1.00 1.07 O ATOM 1837 OE2 GLU A 118 -23.076 5.628 -13.668 1.00 1.88 O ATOM 0 H GLU A 118 -19.703 3.613 -10.007 1.00 0.31 H new ATOM 0 HA GLU A 118 -19.966 5.791 -9.720 1.00 0.33 H new ATOM 0 HB2 GLU A 118 -22.837 5.230 -10.498 1.00 0.40 H new ATOM 0 HB3 GLU A 118 -22.166 6.837 -10.304 1.00 0.40 H new ATOM 0 HG2 GLU A 118 -20.448 6.289 -12.045 1.00 0.49 H new ATOM 0 HG3 GLU A 118 -21.214 4.730 -12.275 1.00 0.49 H new ATOM 1844 N MET A 119 -20.520 5.099 -7.202 1.00 0.26 N ATOM 1845 CA MET A 119 -20.737 5.290 -5.777 1.00 0.26 C ATOM 1846 C MET A 119 -19.466 5.878 -5.194 1.00 0.25 C ATOM 1847 O MET A 119 -18.989 5.467 -4.139 1.00 0.23 O ATOM 1848 CB MET A 119 -21.048 3.953 -5.097 1.00 0.25 C ATOM 1849 CG MET A 119 -22.220 3.203 -5.705 1.00 0.28 C ATOM 1850 SD MET A 119 -22.443 1.574 -4.966 1.00 0.31 S ATOM 1851 CE MET A 119 -20.782 0.919 -5.125 1.00 0.29 C ATOM 0 H MET A 119 -19.660 4.597 -7.421 1.00 0.26 H new ATOM 0 HA MET A 119 -21.584 5.956 -5.613 1.00 0.26 H new ATOM 0 HB2 MET A 119 -20.162 3.320 -5.144 1.00 0.25 H new ATOM 0 HB3 MET A 119 -21.255 4.134 -4.042 1.00 0.25 H new ATOM 0 HG2 MET A 119 -23.131 3.787 -5.574 1.00 0.28 H new ATOM 0 HG3 MET A 119 -22.063 3.095 -6.778 1.00 0.28 H new ATOM 0 HE1 MET A 119 -20.822 -0.170 -5.162 1.00 0.29 H new ATOM 0 HE2 MET A 119 -20.328 1.296 -6.041 1.00 0.29 H new ATOM 0 HE3 MET A 119 -20.184 1.231 -4.269 1.00 0.29 H new ATOM 1861 N GLN A 120 -18.920 6.844 -5.912 1.00 0.31 N ATOM 1862 CA GLN A 120 -17.633 7.431 -5.607 1.00 0.31 C ATOM 1863 C GLN A 120 -17.589 8.108 -4.235 1.00 0.32 C ATOM 1864 O GLN A 120 -16.536 8.553 -3.794 1.00 0.33 O ATOM 1865 CB GLN A 120 -17.277 8.408 -6.706 1.00 0.36 C ATOM 1866 CG GLN A 120 -17.454 7.801 -8.083 1.00 0.36 C ATOM 1867 CD GLN A 120 -18.760 8.187 -8.742 1.00 0.58 C ATOM 1868 OE1 GLN A 120 -19.763 8.431 -8.075 1.00 1.15 O ATOM 1869 NE2 GLN A 120 -18.754 8.231 -10.061 1.00 0.55 N ATOM 0 H GLN A 120 -19.368 7.247 -6.735 1.00 0.31 H new ATOM 0 HA GLN A 120 -16.897 6.628 -5.559 1.00 0.31 H new ATOM 0 HB2 GLN A 120 -17.902 9.296 -6.618 1.00 0.36 H new ATOM 0 HB3 GLN A 120 -16.244 8.732 -6.583 1.00 0.36 H new ATOM 0 HG2 GLN A 120 -16.627 8.114 -8.720 1.00 0.36 H new ATOM 0 HG3 GLN A 120 -17.402 6.715 -8.004 1.00 0.36 H new ATOM 0 HE21 GLN A 120 -17.898 8.021 -10.574 1.00 0.55 H new ATOM 0 HE22 GLN A 120 -19.605 8.475 -10.567 1.00 0.55 H new ATOM 1878 N VAL A 121 -18.726 8.211 -3.567 1.00 0.32 N ATOM 1879 CA VAL A 121 -18.750 8.708 -2.199 1.00 0.35 C ATOM 1880 C VAL A 121 -17.966 7.784 -1.260 1.00 0.31 C ATOM 1881 O VAL A 121 -17.403 8.233 -0.264 1.00 0.36 O ATOM 1882 CB VAL A 121 -20.187 8.873 -1.667 1.00 0.39 C ATOM 1883 CG1 VAL A 121 -20.898 10.001 -2.394 1.00 0.46 C ATOM 1884 CG2 VAL A 121 -20.960 7.571 -1.807 1.00 0.38 C ATOM 0 H VAL A 121 -19.639 7.959 -3.945 1.00 0.32 H new ATOM 0 HA VAL A 121 -18.276 9.689 -2.220 1.00 0.35 H new ATOM 0 HB VAL A 121 -20.136 9.128 -0.608 1.00 0.39 H new ATOM 0 HG11 VAL A 121 -21.911 10.103 -2.005 1.00 0.46 H new ATOM 0 HG12 VAL A 121 -20.355 10.933 -2.239 1.00 0.46 H new ATOM 0 HG13 VAL A 121 -20.939 9.778 -3.460 1.00 0.46 H new ATOM 0 HG21 VAL A 121 -21.972 7.706 -1.426 1.00 0.38 H new ATOM 0 HG22 VAL A 121 -21.003 7.284 -2.858 1.00 0.38 H new ATOM 0 HG23 VAL A 121 -20.460 6.788 -1.237 1.00 0.38 H new ATOM 1894 N LEU A 122 -17.907 6.493 -1.600 1.00 0.24 N ATOM 1895 CA LEU A 122 -17.186 5.520 -0.780 1.00 0.21 C ATOM 1896 C LEU A 122 -15.697 5.768 -0.861 1.00 0.19 C ATOM 1897 O LEU A 122 -14.965 5.463 0.072 1.00 0.19 O ATOM 1898 CB LEU A 122 -17.470 4.078 -1.217 1.00 0.18 C ATOM 1899 CG LEU A 122 -18.833 3.500 -0.830 1.00 0.22 C ATOM 1900 CD1 LEU A 122 -19.108 3.729 0.643 1.00 0.26 C ATOM 1901 CD2 LEU A 122 -19.938 4.083 -1.690 1.00 0.22 C ATOM 0 H LEU A 122 -18.347 6.101 -2.432 1.00 0.24 H new ATOM 0 HA LEU A 122 -17.536 5.647 0.245 1.00 0.21 H new ATOM 0 HB2 LEU A 122 -17.373 4.025 -2.301 1.00 0.18 H new ATOM 0 HB3 LEU A 122 -16.696 3.436 -0.796 1.00 0.18 H new ATOM 0 HG LEU A 122 -18.810 2.425 -1.009 1.00 0.22 H new ATOM 0 HD11 LEU A 122 -20.081 3.312 0.901 1.00 0.26 H new ATOM 0 HD12 LEU A 122 -18.335 3.242 1.237 1.00 0.26 H new ATOM 0 HD13 LEU A 122 -19.105 4.799 0.852 1.00 0.26 H new ATOM 0 HD21 LEU A 122 -20.895 3.654 -1.393 1.00 0.22 H new ATOM 0 HD22 LEU A 122 -19.969 5.165 -1.559 1.00 0.22 H new ATOM 0 HD23 LEU A 122 -19.746 3.850 -2.737 1.00 0.22 H new ATOM 1913 N VAL A 123 -15.271 6.326 -1.983 1.00 0.19 N ATOM 1914 CA VAL A 123 -13.873 6.659 -2.222 1.00 0.20 C ATOM 1915 C VAL A 123 -13.215 7.302 -0.996 1.00 0.22 C ATOM 1916 O VAL A 123 -12.188 6.823 -0.510 1.00 0.25 O ATOM 1917 CB VAL A 123 -13.777 7.596 -3.440 1.00 0.22 C ATOM 1918 CG1 VAL A 123 -12.387 8.181 -3.605 1.00 0.23 C ATOM 1919 CG2 VAL A 123 -14.195 6.839 -4.690 1.00 0.23 C ATOM 0 H VAL A 123 -15.889 6.563 -2.760 1.00 0.19 H new ATOM 0 HA VAL A 123 -13.332 5.734 -2.422 1.00 0.20 H new ATOM 0 HB VAL A 123 -14.452 8.436 -3.277 1.00 0.22 H new ATOM 0 HG11 VAL A 123 -12.369 8.835 -4.477 1.00 0.23 H new ATOM 0 HG12 VAL A 123 -12.126 8.754 -2.716 1.00 0.23 H new ATOM 0 HG13 VAL A 123 -11.667 7.374 -3.741 1.00 0.23 H new ATOM 0 HG21 VAL A 123 -14.128 7.499 -5.555 1.00 0.23 H new ATOM 0 HG22 VAL A 123 -13.535 5.984 -4.835 1.00 0.23 H new ATOM 0 HG23 VAL A 123 -15.222 6.490 -4.578 1.00 0.23 H new ATOM 1929 N SER A 124 -13.820 8.363 -0.485 1.00 0.24 N ATOM 1930 CA SER A 124 -13.262 9.070 0.660 1.00 0.28 C ATOM 1931 C SER A 124 -13.489 8.275 1.949 1.00 0.27 C ATOM 1932 O SER A 124 -12.643 8.268 2.845 1.00 0.33 O ATOM 1933 CB SER A 124 -13.902 10.452 0.779 1.00 0.36 C ATOM 1934 OG SER A 124 -13.071 11.347 1.503 1.00 1.35 O ATOM 0 H SER A 124 -14.693 8.753 -0.842 1.00 0.24 H new ATOM 0 HA SER A 124 -12.188 9.183 0.509 1.00 0.28 H new ATOM 0 HB2 SER A 124 -14.092 10.854 -0.216 1.00 0.36 H new ATOM 0 HB3 SER A 124 -14.868 10.366 1.277 1.00 0.36 H new ATOM 0 HG SER A 124 -13.479 11.542 2.372 1.00 1.35 H new ATOM 1940 N ARG A 125 -14.631 7.590 2.022 1.00 0.23 N ATOM 1941 CA ARG A 125 -15.009 6.839 3.216 1.00 0.23 C ATOM 1942 C ARG A 125 -14.032 5.700 3.470 1.00 0.21 C ATOM 1943 O ARG A 125 -13.531 5.530 4.580 1.00 0.25 O ATOM 1944 CB ARG A 125 -16.412 6.255 3.067 1.00 0.28 C ATOM 1945 CG ARG A 125 -17.479 7.259 2.676 1.00 0.55 C ATOM 1946 CD ARG A 125 -18.846 6.620 2.720 1.00 0.55 C ATOM 1947 NE ARG A 125 -19.911 7.509 2.262 1.00 1.44 N ATOM 1948 CZ ARG A 125 -21.199 7.168 2.273 1.00 1.65 C ATOM 1949 NH1 ARG A 125 -21.572 6.007 2.798 1.00 1.06 N ATOM 1950 NH2 ARG A 125 -22.118 7.995 1.795 1.00 2.67 N ATOM 0 H ARG A 125 -15.312 7.541 1.264 1.00 0.23 H new ATOM 0 HA ARG A 125 -14.989 7.532 4.057 1.00 0.23 H new ATOM 0 HB2 ARG A 125 -16.384 5.465 2.317 1.00 0.28 H new ATOM 0 HB3 ARG A 125 -16.699 5.789 4.010 1.00 0.28 H new ATOM 0 HG2 ARG A 125 -17.448 8.113 3.352 1.00 0.55 H new ATOM 0 HG3 ARG A 125 -17.280 7.638 1.674 1.00 0.55 H new ATOM 0 HD2 ARG A 125 -18.840 5.722 2.102 1.00 0.55 H new ATOM 0 HD3 ARG A 125 -19.059 6.303 3.741 1.00 0.55 H new ATOM 0 HE ARG A 125 -19.656 8.435 1.917 1.00 1.44 H new ATOM 0 HH11 ARG A 125 -20.873 5.377 3.192 1.00 1.06 H new ATOM 0 HH12 ARG A 125 -22.558 5.745 2.807 1.00 1.06 H new ATOM 0 HH21 ARG A 125 -21.841 8.900 1.415 1.00 2.67 H new ATOM 0 HH22 ARG A 125 -23.102 7.726 1.807 1.00 2.67 H new ATOM 1964 N ILE A 126 -13.783 4.915 2.432 1.00 0.19 N ATOM 1965 CA ILE A 126 -12.861 3.793 2.515 1.00 0.19 C ATOM 1966 C ILE A 126 -11.498 4.255 3.010 1.00 0.20 C ATOM 1967 O ILE A 126 -10.954 3.686 3.951 1.00 0.23 O ATOM 1968 CB ILE A 126 -12.714 3.099 1.146 1.00 0.19 C ATOM 1969 CG1 ILE A 126 -14.095 2.636 0.668 1.00 0.18 C ATOM 1970 CG2 ILE A 126 -11.752 1.922 1.246 1.00 0.22 C ATOM 1971 CD1 ILE A 126 -14.135 2.135 -0.752 1.00 0.18 C ATOM 0 H ILE A 126 -14.211 5.037 1.514 1.00 0.19 H new ATOM 0 HA ILE A 126 -13.271 3.076 3.226 1.00 0.19 H new ATOM 0 HB ILE A 126 -12.303 3.803 0.423 1.00 0.19 H new ATOM 0 HG12 ILE A 126 -14.446 1.843 1.329 1.00 0.18 H new ATOM 0 HG13 ILE A 126 -14.795 3.466 0.766 1.00 0.18 H new ATOM 0 HG21 ILE A 126 -11.660 1.444 0.271 1.00 0.22 H new ATOM 0 HG22 ILE A 126 -10.774 2.278 1.569 1.00 0.22 H new ATOM 0 HG23 ILE A 126 -12.133 1.201 1.969 1.00 0.22 H new ATOM 0 HD11 ILE A 126 -15.151 1.830 -1.002 1.00 0.18 H new ATOM 0 HD12 ILE A 126 -13.819 2.930 -1.427 1.00 0.18 H new ATOM 0 HD13 ILE A 126 -13.464 1.282 -0.856 1.00 0.18 H new ATOM 1983 N ALA A 127 -10.968 5.302 2.389 1.00 0.21 N ATOM 1984 CA ALA A 127 -9.666 5.841 2.767 1.00 0.24 C ATOM 1985 C ALA A 127 -9.625 6.231 4.242 1.00 0.24 C ATOM 1986 O ALA A 127 -8.585 6.112 4.894 1.00 0.29 O ATOM 1987 CB ALA A 127 -9.319 7.035 1.904 1.00 0.27 C ATOM 0 H ALA A 127 -11.420 5.796 1.620 1.00 0.21 H new ATOM 0 HA ALA A 127 -8.926 5.056 2.608 1.00 0.24 H new ATOM 0 HB1 ALA A 127 -8.345 7.426 2.198 1.00 0.27 H new ATOM 0 HB2 ALA A 127 -9.287 6.731 0.858 1.00 0.27 H new ATOM 0 HB3 ALA A 127 -10.075 7.810 2.034 1.00 0.27 H new ATOM 1993 N ALA A 128 -10.755 6.706 4.756 1.00 0.21 N ATOM 1994 CA ALA A 128 -10.880 7.032 6.171 1.00 0.22 C ATOM 1995 C ALA A 128 -10.615 5.805 7.023 1.00 0.23 C ATOM 1996 O ALA A 128 -9.660 5.758 7.800 1.00 0.28 O ATOM 1997 CB ALA A 128 -12.270 7.565 6.475 1.00 0.23 C ATOM 0 H ALA A 128 -11.600 6.874 4.210 1.00 0.21 H new ATOM 0 HA ALA A 128 -10.143 7.800 6.407 1.00 0.22 H new ATOM 0 HB1 ALA A 128 -12.344 7.803 7.536 1.00 0.23 H new ATOM 0 HB2 ALA A 128 -12.451 8.465 5.888 1.00 0.23 H new ATOM 0 HB3 ALA A 128 -13.013 6.810 6.220 1.00 0.23 H new ATOM 2003 N TRP A 129 -11.459 4.804 6.834 1.00 0.25 N ATOM 2004 CA TRP A 129 -11.384 3.571 7.594 1.00 0.35 C ATOM 2005 C TRP A 129 -10.061 2.851 7.351 1.00 0.25 C ATOM 2006 O TRP A 129 -9.543 2.181 8.237 1.00 0.27 O ATOM 2007 CB TRP A 129 -12.551 2.663 7.218 1.00 0.56 C ATOM 2008 CG TRP A 129 -13.892 3.194 7.624 1.00 0.60 C ATOM 2009 CD1 TRP A 129 -14.779 3.870 6.839 1.00 0.49 C ATOM 2010 CD2 TRP A 129 -14.501 3.086 8.916 1.00 1.73 C ATOM 2011 NE1 TRP A 129 -15.899 4.192 7.561 1.00 1.14 N ATOM 2012 CE2 TRP A 129 -15.755 3.719 8.839 1.00 1.99 C ATOM 2013 CE3 TRP A 129 -14.109 2.513 10.129 1.00 2.63 C ATOM 2014 CZ2 TRP A 129 -16.618 3.797 9.928 1.00 3.08 C ATOM 2015 CZ3 TRP A 129 -14.967 2.592 11.210 1.00 3.70 C ATOM 2016 CH2 TRP A 129 -16.208 3.229 11.103 1.00 3.91 C ATOM 0 H TRP A 129 -12.215 4.825 6.149 1.00 0.25 H new ATOM 0 HA TRP A 129 -11.442 3.818 8.654 1.00 0.35 H new ATOM 0 HB2 TRP A 129 -12.544 2.508 6.139 1.00 0.56 H new ATOM 0 HB3 TRP A 129 -12.403 1.687 7.681 1.00 0.56 H new ATOM 0 HD1 TRP A 129 -14.622 4.116 5.799 1.00 0.49 H new ATOM 0 HE1 TRP A 129 -16.708 4.701 7.205 1.00 1.14 H new ATOM 0 HE3 TRP A 129 -13.154 2.018 10.220 1.00 2.63 H new ATOM 0 HZ2 TRP A 129 -17.577 4.288 9.848 1.00 3.08 H new ATOM 0 HZ3 TRP A 129 -14.674 2.155 12.153 1.00 3.70 H new ATOM 0 HH2 TRP A 129 -16.856 3.273 11.966 1.00 3.91 H new ATOM 2027 N MET A 130 -9.526 2.999 6.146 1.00 0.24 N ATOM 2028 CA MET A 130 -8.254 2.387 5.772 1.00 0.26 C ATOM 2029 C MET A 130 -7.108 2.903 6.630 1.00 0.25 C ATOM 2030 O MET A 130 -6.448 2.133 7.330 1.00 0.29 O ATOM 2031 CB MET A 130 -7.963 2.657 4.301 1.00 0.31 C ATOM 2032 CG MET A 130 -8.723 1.740 3.366 1.00 0.29 C ATOM 2033 SD MET A 130 -7.702 0.402 2.748 1.00 1.08 S ATOM 2034 CE MET A 130 -6.561 1.343 1.745 1.00 0.31 C ATOM 0 H MET A 130 -9.959 3.545 5.401 1.00 0.24 H new ATOM 0 HA MET A 130 -8.338 1.313 5.939 1.00 0.26 H new ATOM 0 HB2 MET A 130 -8.217 3.692 4.071 1.00 0.31 H new ATOM 0 HB3 MET A 130 -6.894 2.544 4.122 1.00 0.31 H new ATOM 0 HG2 MET A 130 -9.585 1.325 3.889 1.00 0.29 H new ATOM 0 HG3 MET A 130 -9.108 2.319 2.526 1.00 0.29 H new ATOM 0 HE1 MET A 130 -6.360 0.804 0.819 1.00 0.31 H new ATOM 0 HE2 MET A 130 -6.997 2.314 1.512 1.00 0.31 H new ATOM 0 HE3 MET A 130 -5.629 1.486 2.291 1.00 0.31 H new ATOM 2044 N ALA A 131 -6.879 4.209 6.586 1.00 0.24 N ATOM 2045 CA ALA A 131 -5.784 4.805 7.336 1.00 0.24 C ATOM 2046 C ALA A 131 -5.998 4.634 8.829 1.00 0.24 C ATOM 2047 O ALA A 131 -5.048 4.422 9.579 1.00 0.25 O ATOM 2048 CB ALA A 131 -5.625 6.272 6.989 1.00 0.25 C ATOM 0 H ALA A 131 -7.433 4.871 6.043 1.00 0.24 H new ATOM 0 HA ALA A 131 -4.866 4.287 7.058 1.00 0.24 H new ATOM 0 HB1 ALA A 131 -4.800 6.694 7.563 1.00 0.25 H new ATOM 0 HB2 ALA A 131 -5.416 6.373 5.924 1.00 0.25 H new ATOM 0 HB3 ALA A 131 -6.545 6.805 7.230 1.00 0.25 H new ATOM 2054 N THR A 132 -7.249 4.719 9.259 1.00 0.26 N ATOM 2055 CA THR A 132 -7.575 4.514 10.658 1.00 0.29 C ATOM 2056 C THR A 132 -7.323 3.065 11.076 1.00 0.30 C ATOM 2057 O THR A 132 -6.841 2.803 12.180 1.00 0.32 O ATOM 2058 CB THR A 132 -9.033 4.900 10.958 1.00 0.32 C ATOM 2059 OG1 THR A 132 -9.217 6.310 10.748 1.00 0.35 O ATOM 2060 CG2 THR A 132 -9.398 4.535 12.386 1.00 0.40 C ATOM 0 H THR A 132 -8.049 4.927 8.661 1.00 0.26 H new ATOM 0 HA THR A 132 -6.921 5.164 11.239 1.00 0.29 H new ATOM 0 HB THR A 132 -9.687 4.348 10.282 1.00 0.32 H new ATOM 0 HG1 THR A 132 -9.394 6.479 9.799 1.00 0.35 H new ATOM 0 HG21 THR A 132 -10.433 4.816 12.580 1.00 0.40 H new ATOM 0 HG22 THR A 132 -9.280 3.461 12.528 1.00 0.40 H new ATOM 0 HG23 THR A 132 -8.743 5.066 13.076 1.00 0.40 H new ATOM 2068 N TYR A 133 -7.648 2.124 10.197 1.00 0.30 N ATOM 2069 CA TYR A 133 -7.367 0.720 10.462 1.00 0.32 C ATOM 2070 C TYR A 133 -5.871 0.519 10.640 1.00 0.32 C ATOM 2071 O TYR A 133 -5.435 -0.195 11.541 1.00 0.37 O ATOM 2072 CB TYR A 133 -7.888 -0.180 9.337 1.00 0.33 C ATOM 2073 CG TYR A 133 -7.781 -1.652 9.666 1.00 0.93 C ATOM 2074 CD1 TYR A 133 -8.808 -2.317 10.324 1.00 1.29 C ATOM 2075 CD2 TYR A 133 -6.658 -2.381 9.300 1.00 1.72 C ATOM 2076 CE1 TYR A 133 -8.717 -3.664 10.607 1.00 1.93 C ATOM 2077 CE2 TYR A 133 -6.562 -3.729 9.578 1.00 2.40 C ATOM 2078 CZ TYR A 133 -7.580 -4.346 10.311 1.00 2.40 C ATOM 2079 OH TYR A 133 -7.503 -5.707 10.505 1.00 3.13 O ATOM 0 H TYR A 133 -8.102 2.306 9.302 1.00 0.30 H new ATOM 0 HA TYR A 133 -7.885 0.439 11.379 1.00 0.32 H new ATOM 0 HB2 TYR A 133 -8.930 0.067 9.133 1.00 0.33 H new ATOM 0 HB3 TYR A 133 -7.328 0.025 8.425 1.00 0.33 H new ATOM 0 HD1 TYR A 133 -9.692 -1.771 10.619 1.00 1.29 H new ATOM 0 HD2 TYR A 133 -5.846 -1.885 8.789 1.00 1.72 H new ATOM 0 HE1 TYR A 133 -9.550 -4.177 11.064 1.00 1.93 H new ATOM 0 HE2 TYR A 133 -5.712 -4.300 9.234 1.00 2.40 H new ATOM 0 HH TYR A 133 -6.671 -5.924 10.975 1.00 3.13 H new ATOM 2089 N LEU A 134 -5.086 1.153 9.780 1.00 0.29 N ATOM 2090 CA LEU A 134 -3.641 1.134 9.926 1.00 0.30 C ATOM 2091 C LEU A 134 -3.275 1.758 11.273 1.00 0.32 C ATOM 2092 O LEU A 134 -2.547 1.164 12.058 1.00 0.35 O ATOM 2093 CB LEU A 134 -2.973 1.890 8.763 1.00 0.29 C ATOM 2094 CG LEU A 134 -1.472 1.626 8.554 1.00 0.48 C ATOM 2095 CD1 LEU A 134 -1.014 2.177 7.211 1.00 0.95 C ATOM 2096 CD2 LEU A 134 -0.642 2.241 9.673 1.00 0.88 C ATOM 0 H LEU A 134 -5.425 1.684 8.978 1.00 0.29 H new ATOM 0 HA LEU A 134 -3.279 0.106 9.898 1.00 0.30 H new ATOM 0 HB2 LEU A 134 -3.497 1.634 7.842 1.00 0.29 H new ATOM 0 HB3 LEU A 134 -3.114 2.959 8.924 1.00 0.29 H new ATOM 0 HG LEU A 134 -1.322 0.546 8.567 1.00 0.48 H new ATOM 0 HD11 LEU A 134 0.050 1.981 7.081 1.00 0.95 H new ATOM 0 HD12 LEU A 134 -1.573 1.693 6.410 1.00 0.95 H new ATOM 0 HD13 LEU A 134 -1.191 3.252 7.179 1.00 0.95 H new ATOM 0 HD21 LEU A 134 0.414 2.037 9.497 1.00 0.88 H new ATOM 0 HD22 LEU A 134 -0.805 3.319 9.697 1.00 0.88 H new ATOM 0 HD23 LEU A 134 -0.941 1.808 10.628 1.00 0.88 H new ATOM 2108 N ASN A 135 -3.825 2.938 11.535 1.00 0.31 N ATOM 2109 CA ASN A 135 -3.599 3.665 12.788 1.00 0.35 C ATOM 2110 C ASN A 135 -3.799 2.782 14.019 1.00 0.38 C ATOM 2111 O ASN A 135 -2.889 2.618 14.831 1.00 0.43 O ATOM 2112 CB ASN A 135 -4.557 4.857 12.882 1.00 0.36 C ATOM 2113 CG ASN A 135 -3.938 6.164 12.449 1.00 0.38 C ATOM 2114 OD1 ASN A 135 -3.389 6.904 13.265 1.00 0.46 O ATOM 2115 ND2 ASN A 135 -4.018 6.458 11.168 1.00 0.34 N ATOM 0 H ASN A 135 -4.443 3.423 10.885 1.00 0.31 H new ATOM 0 HA ASN A 135 -2.562 4.002 12.774 1.00 0.35 H new ATOM 0 HB2 ASN A 135 -5.434 4.658 12.266 1.00 0.36 H new ATOM 0 HB3 ASN A 135 -4.905 4.952 13.910 1.00 0.36 H new ATOM 0 HD21 ASN A 135 -3.616 7.328 10.818 1.00 0.34 H new ATOM 0 HD22 ASN A 135 -4.482 5.816 10.525 1.00 0.34 H new ATOM 2122 N ASP A 136 -4.994 2.217 14.147 1.00 0.38 N ATOM 2123 CA ASP A 136 -5.371 1.485 15.352 1.00 0.42 C ATOM 2124 C ASP A 136 -4.806 0.064 15.361 1.00 0.40 C ATOM 2125 O ASP A 136 -4.275 -0.398 16.372 1.00 0.43 O ATOM 2126 CB ASP A 136 -6.900 1.442 15.464 1.00 0.45 C ATOM 2127 CG ASP A 136 -7.397 0.640 16.653 1.00 0.53 C ATOM 2128 OD1 ASP A 136 -7.443 1.189 17.773 1.00 0.59 O ATOM 2129 OD2 ASP A 136 -7.781 -0.533 16.468 1.00 0.58 O ATOM 0 H ASP A 136 -5.720 2.251 13.431 1.00 0.38 H new ATOM 0 HA ASP A 136 -4.947 2.008 16.209 1.00 0.42 H new ATOM 0 HB2 ASP A 136 -7.280 2.461 15.539 1.00 0.45 H new ATOM 0 HB3 ASP A 136 -7.312 1.015 14.550 1.00 0.45 H new ATOM 2134 N HIS A 137 -4.923 -0.618 14.235 1.00 0.38 N ATOM 2135 CA HIS A 137 -4.604 -2.036 14.155 1.00 0.38 C ATOM 2136 C HIS A 137 -3.160 -2.309 13.746 1.00 0.35 C ATOM 2137 O HIS A 137 -2.459 -3.079 14.397 1.00 0.37 O ATOM 2138 CB HIS A 137 -5.552 -2.706 13.161 1.00 0.40 C ATOM 2139 CG HIS A 137 -6.790 -3.268 13.786 1.00 0.63 C ATOM 2140 ND1 HIS A 137 -7.041 -4.495 14.298 1.00 1.18 N flip ATOM 2141 CD2 HIS A 137 -7.962 -2.555 13.918 1.00 1.45 C flip ATOM 2142 CE1 HIS A 137 -8.344 -4.502 14.724 1.00 1.13 C flip ATOM 2143 NE2 HIS A 137 -8.876 -3.321 14.485 1.00 1.34 N flip ATOM 0 H HIS A 137 -5.239 -0.210 13.355 1.00 0.38 H new ATOM 0 HA HIS A 137 -4.728 -2.449 15.156 1.00 0.38 H new ATOM 0 HB2 HIS A 137 -5.839 -1.979 12.401 1.00 0.40 H new ATOM 0 HB3 HIS A 137 -5.019 -3.508 12.650 1.00 0.40 H new ATOM 0 HD1 HIS A 137 -6.382 -5.272 14.356 1.00 1.18 H new ATOM 0 HD2 HIS A 137 -8.110 -1.531 13.607 1.00 1.45 H new ATOM 0 HE1 HIS A 137 -8.851 -5.339 15.181 1.00 1.13 H new ATOM 2152 N LEU A 138 -2.721 -1.682 12.666 1.00 0.32 N ATOM 2153 CA LEU A 138 -1.490 -2.095 12.003 1.00 0.29 C ATOM 2154 C LEU A 138 -0.259 -1.364 12.499 1.00 0.27 C ATOM 2155 O LEU A 138 0.818 -1.950 12.552 1.00 0.27 O ATOM 2156 CB LEU A 138 -1.642 -1.886 10.507 1.00 0.30 C ATOM 2157 CG LEU A 138 -2.884 -2.538 9.932 1.00 0.59 C ATOM 2158 CD1 LEU A 138 -2.991 -2.260 8.453 1.00 1.20 C ATOM 2159 CD2 LEU A 138 -2.860 -4.026 10.214 1.00 1.20 C ATOM 0 H LEU A 138 -3.194 -0.890 12.231 1.00 0.32 H new ATOM 0 HA LEU A 138 -1.336 -3.148 12.240 1.00 0.29 H new ATOM 0 HB2 LEU A 138 -1.672 -0.817 10.298 1.00 0.30 H new ATOM 0 HB3 LEU A 138 -0.763 -2.285 10.001 1.00 0.30 H new ATOM 0 HG LEU A 138 -3.766 -2.113 10.411 1.00 0.59 H new ATOM 0 HD11 LEU A 138 -3.888 -2.736 8.057 1.00 1.20 H new ATOM 0 HD12 LEU A 138 -3.048 -1.184 8.288 1.00 1.20 H new ATOM 0 HD13 LEU A 138 -2.114 -2.659 7.943 1.00 1.20 H new ATOM 0 HD21 LEU A 138 -3.755 -4.490 9.799 1.00 1.20 H new ATOM 0 HD22 LEU A 138 -1.976 -4.469 9.756 1.00 1.20 H new ATOM 0 HD23 LEU A 138 -2.832 -4.192 11.291 1.00 1.20 H new ATOM 2171 N GLU A 139 -0.414 -0.095 12.843 1.00 0.30 N ATOM 2172 CA GLU A 139 0.722 0.741 13.221 1.00 0.31 C ATOM 2173 C GLU A 139 1.583 0.072 14.303 1.00 0.30 C ATOM 2174 O GLU A 139 2.800 -0.014 14.138 1.00 0.30 O ATOM 2175 CB GLU A 139 0.261 2.125 13.676 1.00 0.38 C ATOM 2176 CG GLU A 139 1.399 3.120 13.817 1.00 0.40 C ATOM 2177 CD GLU A 139 0.944 4.431 14.409 1.00 0.49 C ATOM 2178 OE1 GLU A 139 0.948 4.556 15.654 1.00 0.61 O ATOM 2179 OE2 GLU A 139 0.577 5.337 13.643 1.00 0.75 O ATOM 0 H GLU A 139 -1.315 0.382 12.869 1.00 0.30 H new ATOM 0 HA GLU A 139 1.342 0.863 12.333 1.00 0.31 H new ATOM 0 HB2 GLU A 139 -0.465 2.512 12.961 1.00 0.38 H new ATOM 0 HB3 GLU A 139 -0.253 2.033 14.633 1.00 0.38 H new ATOM 0 HG2 GLU A 139 2.178 2.691 14.447 1.00 0.40 H new ATOM 0 HG3 GLU A 139 1.844 3.301 12.838 1.00 0.40 H new ATOM 2186 N PRO A 140 0.984 -0.429 15.417 1.00 0.32 N ATOM 2187 CA PRO A 140 1.740 -1.167 16.435 1.00 0.34 C ATOM 2188 C PRO A 140 2.539 -2.314 15.821 1.00 0.32 C ATOM 2189 O PRO A 140 3.745 -2.433 16.037 1.00 0.34 O ATOM 2190 CB PRO A 140 0.657 -1.721 17.362 1.00 0.40 C ATOM 2191 CG PRO A 140 -0.495 -0.798 17.199 1.00 0.56 C ATOM 2192 CD PRO A 140 -0.447 -0.319 15.777 1.00 0.36 C ATOM 0 HA PRO A 140 2.467 -0.533 16.944 1.00 0.34 H new ATOM 0 HB2 PRO A 140 0.387 -2.741 17.089 1.00 0.40 H new ATOM 0 HB3 PRO A 140 0.999 -1.748 18.397 1.00 0.40 H new ATOM 0 HG2 PRO A 140 -1.436 -1.308 17.407 1.00 0.56 H new ATOM 0 HG3 PRO A 140 -0.426 0.038 17.895 1.00 0.56 H new ATOM 0 HD2 PRO A 140 -1.072 -0.932 15.127 1.00 0.36 H new ATOM 0 HD3 PRO A 140 -0.804 0.707 15.688 1.00 0.36 H new ATOM 2200 N TRP A 141 1.848 -3.136 15.036 1.00 0.31 N ATOM 2201 CA TRP A 141 2.460 -4.268 14.343 1.00 0.32 C ATOM 2202 C TRP A 141 3.647 -3.804 13.504 1.00 0.31 C ATOM 2203 O TRP A 141 4.754 -4.314 13.644 1.00 0.36 O ATOM 2204 CB TRP A 141 1.420 -4.933 13.442 1.00 0.35 C ATOM 2205 CG TRP A 141 1.347 -6.417 13.602 1.00 0.36 C ATOM 2206 CD1 TRP A 141 2.155 -7.345 13.015 1.00 0.43 C ATOM 2207 CD2 TRP A 141 0.407 -7.146 14.399 1.00 0.63 C ATOM 2208 NE1 TRP A 141 1.774 -8.607 13.397 1.00 0.60 N ATOM 2209 CE2 TRP A 141 0.705 -8.512 14.248 1.00 0.70 C ATOM 2210 CE3 TRP A 141 -0.656 -6.776 15.227 1.00 0.91 C ATOM 2211 CZ2 TRP A 141 -0.023 -9.508 14.892 1.00 0.98 C ATOM 2212 CZ3 TRP A 141 -1.377 -7.766 15.868 1.00 1.19 C ATOM 2213 CH2 TRP A 141 -1.058 -9.119 15.696 1.00 1.20 C ATOM 0 H TRP A 141 0.848 -3.037 14.862 1.00 0.31 H new ATOM 0 HA TRP A 141 2.817 -4.984 15.083 1.00 0.32 H new ATOM 0 HB2 TRP A 141 0.441 -4.505 13.655 1.00 0.35 H new ATOM 0 HB3 TRP A 141 1.650 -4.699 12.403 1.00 0.35 H new ATOM 0 HD1 TRP A 141 2.974 -7.120 12.348 1.00 0.43 H new ATOM 0 HE1 TRP A 141 2.216 -9.476 13.096 1.00 0.60 H new ATOM 0 HE3 TRP A 141 -0.910 -5.735 15.364 1.00 0.91 H new ATOM 0 HZ2 TRP A 141 0.221 -10.552 14.761 1.00 0.98 H new ATOM 0 HZ3 TRP A 141 -2.200 -7.492 16.512 1.00 1.19 H new ATOM 0 HH2 TRP A 141 -1.641 -9.870 16.209 1.00 1.20 H new ATOM 2224 N ILE A 142 3.389 -2.828 12.644 1.00 0.26 N ATOM 2225 CA ILE A 142 4.414 -2.183 11.827 1.00 0.26 C ATOM 2226 C ILE A 142 5.684 -1.893 12.627 1.00 0.29 C ATOM 2227 O ILE A 142 6.787 -2.275 12.226 1.00 0.32 O ATOM 2228 CB ILE A 142 3.842 -0.868 11.250 1.00 0.25 C ATOM 2229 CG1 ILE A 142 2.861 -1.199 10.129 1.00 0.28 C ATOM 2230 CG2 ILE A 142 4.943 0.068 10.761 1.00 0.28 C ATOM 2231 CD1 ILE A 142 1.738 -0.203 9.980 1.00 0.26 C ATOM 0 H ILE A 142 2.452 -2.456 12.491 1.00 0.26 H new ATOM 0 HA ILE A 142 4.688 -2.864 11.021 1.00 0.26 H new ATOM 0 HB ILE A 142 3.318 -0.338 12.046 1.00 0.25 H new ATOM 0 HG12 ILE A 142 3.408 -1.258 9.188 1.00 0.28 H new ATOM 0 HG13 ILE A 142 2.435 -2.186 10.313 1.00 0.28 H new ATOM 0 HG21 ILE A 142 4.496 0.979 10.364 1.00 0.28 H new ATOM 0 HG22 ILE A 142 5.602 0.320 11.592 1.00 0.28 H new ATOM 0 HG23 ILE A 142 5.518 -0.425 9.978 1.00 0.28 H new ATOM 0 HD11 ILE A 142 1.085 -0.510 9.163 1.00 0.26 H new ATOM 0 HD12 ILE A 142 1.164 -0.160 10.906 1.00 0.26 H new ATOM 0 HD13 ILE A 142 2.152 0.782 9.764 1.00 0.26 H new ATOM 2243 N GLN A 143 5.515 -1.239 13.762 1.00 0.30 N ATOM 2244 CA GLN A 143 6.637 -0.823 14.592 1.00 0.35 C ATOM 2245 C GLN A 143 7.369 -2.022 15.198 1.00 0.39 C ATOM 2246 O GLN A 143 8.578 -1.962 15.432 1.00 0.43 O ATOM 2247 CB GLN A 143 6.140 0.117 15.682 1.00 0.41 C ATOM 2248 CG GLN A 143 5.308 1.264 15.128 1.00 0.43 C ATOM 2249 CD GLN A 143 6.107 2.227 14.266 1.00 0.48 C ATOM 2250 OE1 GLN A 143 7.144 1.879 13.702 1.00 0.57 O ATOM 2251 NE2 GLN A 143 5.598 3.436 14.119 1.00 0.52 N ATOM 0 H GLN A 143 4.602 -0.981 14.135 1.00 0.30 H new ATOM 0 HA GLN A 143 7.355 -0.298 13.962 1.00 0.35 H new ATOM 0 HB2 GLN A 143 5.543 -0.447 16.399 1.00 0.41 H new ATOM 0 HB3 GLN A 143 6.994 0.521 16.226 1.00 0.41 H new ATOM 0 HG2 GLN A 143 4.487 0.856 14.539 1.00 0.43 H new ATOM 0 HG3 GLN A 143 4.863 1.814 15.957 1.00 0.43 H new ATOM 0 HE21 GLN A 143 4.736 3.689 14.603 1.00 0.52 H new ATOM 0 HE22 GLN A 143 6.066 4.117 13.522 1.00 0.52 H new ATOM 2260 N GLU A 144 6.647 -3.112 15.443 1.00 0.40 N ATOM 2261 CA GLU A 144 7.254 -4.347 15.923 1.00 0.47 C ATOM 2262 C GLU A 144 8.127 -4.969 14.848 1.00 0.48 C ATOM 2263 O GLU A 144 9.034 -5.747 15.129 1.00 0.55 O ATOM 2264 CB GLU A 144 6.161 -5.329 16.306 1.00 0.51 C ATOM 2265 CG GLU A 144 5.189 -4.765 17.308 1.00 0.52 C ATOM 2266 CD GLU A 144 5.771 -4.692 18.704 1.00 0.61 C ATOM 2267 OE1 GLU A 144 6.466 -3.698 19.015 1.00 0.67 O ATOM 2268 OE2 GLU A 144 5.546 -5.630 19.493 1.00 0.78 O ATOM 0 H GLU A 144 5.636 -3.163 15.316 1.00 0.40 H new ATOM 0 HA GLU A 144 7.873 -4.116 16.790 1.00 0.47 H new ATOM 0 HB2 GLU A 144 5.618 -5.628 15.409 1.00 0.51 H new ATOM 0 HB3 GLU A 144 6.617 -6.230 16.717 1.00 0.51 H new ATOM 0 HG2 GLU A 144 4.885 -3.767 16.992 1.00 0.52 H new ATOM 0 HG3 GLU A 144 4.290 -5.382 17.324 1.00 0.52 H new ATOM 2275 N ASN A 145 7.844 -4.605 13.612 1.00 0.44 N ATOM 2276 CA ASN A 145 8.512 -5.195 12.467 1.00 0.48 C ATOM 2277 C ASN A 145 9.573 -4.233 11.965 1.00 0.47 C ATOM 2278 O ASN A 145 10.228 -4.465 10.946 1.00 0.57 O ATOM 2279 CB ASN A 145 7.505 -5.529 11.354 1.00 0.49 C ATOM 2280 CG ASN A 145 6.498 -6.606 11.754 1.00 0.58 C ATOM 2281 OD1 ASN A 145 6.086 -6.599 13.015 1.00 0.93 O flip ATOM 2282 ND2 ASN A 145 6.085 -7.421 10.930 1.00 0.54 N flip ATOM 0 H ASN A 145 7.150 -3.897 13.374 1.00 0.44 H new ATOM 0 HA ASN A 145 8.985 -6.130 12.768 1.00 0.48 H new ATOM 0 HB2 ASN A 145 6.966 -4.623 11.077 1.00 0.49 H new ATOM 0 HB3 ASN A 145 8.049 -5.860 10.469 1.00 0.49 H new ATOM 0 HD21 ASN A 145 6.427 -7.393 9.969 1.00 0.54 H new ATOM 0 HD22 ASN A 145 5.401 -8.125 11.207 1.00 0.54 H new ATOM 2289 N GLY A 146 9.718 -3.139 12.696 1.00 0.42 N ATOM 2290 CA GLY A 146 10.773 -2.194 12.436 1.00 0.45 C ATOM 2291 C GLY A 146 10.269 -0.781 12.232 1.00 0.44 C ATOM 2292 O GLY A 146 10.927 0.182 12.623 1.00 0.56 O ATOM 0 H GLY A 146 9.111 -2.890 13.477 1.00 0.42 H new ATOM 0 HA2 GLY A 146 11.476 -2.206 13.269 1.00 0.45 H new ATOM 0 HA3 GLY A 146 11.324 -2.508 11.549 1.00 0.45 H new ATOM 2296 N GLY A 147 9.094 -0.653 11.639 1.00 0.36 N ATOM 2297 CA GLY A 147 8.574 0.655 11.291 1.00 0.36 C ATOM 2298 C GLY A 147 8.533 0.843 9.792 1.00 0.38 C ATOM 2299 O GLY A 147 9.199 0.105 9.066 1.00 0.49 O ATOM 0 H GLY A 147 8.487 -1.434 11.391 1.00 0.36 H new ATOM 0 HA2 GLY A 147 7.572 0.773 11.703 1.00 0.36 H new ATOM 0 HA3 GLY A 147 9.196 1.429 11.741 1.00 0.36 H new ATOM 2303 N TRP A 148 7.773 1.826 9.324 1.00 0.35 N ATOM 2304 CA TRP A 148 7.537 2.005 7.900 1.00 0.37 C ATOM 2305 C TRP A 148 8.822 2.198 7.099 1.00 0.38 C ATOM 2306 O TRP A 148 8.902 1.751 5.954 1.00 0.40 O ATOM 2307 CB TRP A 148 6.578 3.164 7.669 1.00 0.39 C ATOM 2308 CG TRP A 148 5.149 2.751 7.774 1.00 0.46 C ATOM 2309 CD1 TRP A 148 4.228 3.164 8.691 1.00 0.79 C ATOM 2310 CD2 TRP A 148 4.481 1.817 6.925 1.00 1.45 C ATOM 2311 NE1 TRP A 148 3.023 2.548 8.454 1.00 0.52 N ATOM 2312 CE2 TRP A 148 3.157 1.715 7.375 1.00 1.25 C ATOM 2313 CE3 TRP A 148 4.879 1.059 5.821 1.00 2.64 C ATOM 2314 CZ2 TRP A 148 2.226 0.884 6.760 1.00 2.17 C ATOM 2315 CZ3 TRP A 148 3.954 0.235 5.212 1.00 3.57 C ATOM 2316 CH2 TRP A 148 2.643 0.154 5.683 1.00 3.32 C ATOM 0 H TRP A 148 7.308 2.514 9.916 1.00 0.35 H new ATOM 0 HA TRP A 148 7.086 1.082 7.535 1.00 0.37 H new ATOM 0 HB2 TRP A 148 6.780 3.950 8.397 1.00 0.39 H new ATOM 0 HB3 TRP A 148 6.758 3.590 6.682 1.00 0.39 H new ATOM 0 HD1 TRP A 148 4.418 3.870 9.486 1.00 0.79 H new ATOM 0 HE1 TRP A 148 2.169 2.688 8.993 1.00 0.52 H new ATOM 0 HE3 TRP A 148 5.892 1.117 5.451 1.00 2.64 H new ATOM 0 HZ2 TRP A 148 1.210 0.818 7.121 1.00 2.17 H new ATOM 0 HZ3 TRP A 148 4.250 -0.356 4.358 1.00 3.57 H new ATOM 0 HH2 TRP A 148 1.942 -0.500 5.185 1.00 3.32 H new ATOM 2327 N ASP A 149 9.825 2.842 7.688 1.00 0.42 N ATOM 2328 CA ASP A 149 11.119 2.993 7.019 1.00 0.47 C ATOM 2329 C ASP A 149 11.676 1.628 6.645 1.00 0.47 C ATOM 2330 O ASP A 149 12.186 1.435 5.541 1.00 0.52 O ATOM 2331 CB ASP A 149 12.140 3.717 7.898 1.00 0.56 C ATOM 2332 CG ASP A 149 11.829 5.183 8.112 1.00 1.23 C ATOM 2333 OD1 ASP A 149 11.963 5.972 7.155 1.00 1.72 O ATOM 2334 OD2 ASP A 149 11.478 5.561 9.250 1.00 1.96 O ATOM 0 H ASP A 149 9.772 3.264 8.615 1.00 0.42 H new ATOM 0 HA ASP A 149 10.948 3.593 6.125 1.00 0.47 H new ATOM 0 HB2 ASP A 149 12.189 3.220 8.867 1.00 0.56 H new ATOM 0 HB3 ASP A 149 13.126 3.627 7.443 1.00 0.56 H new ATOM 2339 N THR A 150 11.557 0.684 7.570 1.00 0.47 N ATOM 2340 CA THR A 150 12.021 -0.679 7.360 1.00 0.51 C ATOM 2341 C THR A 150 11.312 -1.341 6.187 1.00 0.50 C ATOM 2342 O THR A 150 11.919 -2.097 5.435 1.00 0.56 O ATOM 2343 CB THR A 150 11.810 -1.534 8.621 1.00 0.56 C ATOM 2344 OG1 THR A 150 12.688 -1.087 9.663 1.00 0.62 O ATOM 2345 CG2 THR A 150 12.047 -3.010 8.325 1.00 0.67 C ATOM 0 H THR A 150 11.136 0.843 8.486 1.00 0.47 H new ATOM 0 HA THR A 150 13.086 -0.617 7.136 1.00 0.51 H new ATOM 0 HB THR A 150 10.777 -1.419 8.949 1.00 0.56 H new ATOM 0 HG1 THR A 150 12.918 -1.842 10.244 1.00 0.62 H new ATOM 0 HG21 THR A 150 11.891 -3.593 9.233 1.00 0.67 H new ATOM 0 HG22 THR A 150 11.350 -3.343 7.556 1.00 0.67 H new ATOM 0 HG23 THR A 150 13.069 -3.151 7.974 1.00 0.67 H new ATOM 2353 N PHE A 151 10.037 -1.045 6.018 1.00 0.45 N ATOM 2354 CA PHE A 151 9.265 -1.665 4.957 1.00 0.47 C ATOM 2355 C PHE A 151 9.848 -1.273 3.602 1.00 0.48 C ATOM 2356 O PHE A 151 9.966 -2.099 2.695 1.00 0.55 O ATOM 2357 CB PHE A 151 7.793 -1.258 5.052 1.00 0.47 C ATOM 2358 CG PHE A 151 7.053 -1.833 6.237 1.00 1.18 C ATOM 2359 CD1 PHE A 151 7.577 -1.719 7.514 1.00 1.80 C ATOM 2360 CD2 PHE A 151 5.850 -2.498 6.078 1.00 1.75 C ATOM 2361 CE1 PHE A 151 6.917 -2.253 8.605 1.00 2.65 C ATOM 2362 CE2 PHE A 151 5.184 -3.035 7.163 1.00 2.61 C ATOM 2363 CZ PHE A 151 5.660 -2.874 8.411 1.00 3.00 C ATOM 0 H PHE A 151 9.517 -0.385 6.596 1.00 0.45 H new ATOM 0 HA PHE A 151 9.320 -2.748 5.065 1.00 0.47 H new ATOM 0 HB2 PHE A 151 7.733 -0.171 5.097 1.00 0.47 H new ATOM 0 HB3 PHE A 151 7.285 -1.568 4.139 1.00 0.47 H new ATOM 0 HD1 PHE A 151 8.516 -1.205 7.660 1.00 1.80 H new ATOM 0 HD2 PHE A 151 5.425 -2.599 5.090 1.00 1.75 H new ATOM 0 HE1 PHE A 151 7.354 -2.197 9.591 1.00 2.65 H new ATOM 0 HE2 PHE A 151 4.271 -3.590 7.007 1.00 2.61 H new ATOM 0 HZ PHE A 151 5.086 -3.217 9.260 1.00 3.00 H new ATOM 2373 N VAL A 152 10.254 -0.016 3.489 1.00 0.45 N ATOM 2374 CA VAL A 152 10.906 0.475 2.284 1.00 0.49 C ATOM 2375 C VAL A 152 12.356 -0.029 2.227 1.00 0.57 C ATOM 2376 O VAL A 152 12.960 -0.110 1.164 1.00 0.64 O ATOM 2377 CB VAL A 152 10.839 2.031 2.157 1.00 0.60 C ATOM 2378 CG1 VAL A 152 9.813 2.624 3.116 1.00 1.15 C ATOM 2379 CG2 VAL A 152 12.198 2.685 2.360 1.00 0.91 C ATOM 0 H VAL A 152 10.142 0.685 4.221 1.00 0.45 H new ATOM 0 HA VAL A 152 10.360 0.077 1.429 1.00 0.49 H new ATOM 0 HB VAL A 152 10.521 2.245 1.137 1.00 0.60 H new ATOM 0 HG11 VAL A 152 9.792 3.708 3.002 1.00 1.15 H new ATOM 0 HG12 VAL A 152 8.827 2.216 2.892 1.00 1.15 H new ATOM 0 HG13 VAL A 152 10.085 2.372 4.141 1.00 1.15 H new ATOM 0 HG21 VAL A 152 12.100 3.766 2.262 1.00 0.91 H new ATOM 0 HG22 VAL A 152 12.573 2.443 3.354 1.00 0.91 H new ATOM 0 HG23 VAL A 152 12.896 2.315 1.609 1.00 0.91 H new ATOM 2389 N GLU A 153 12.931 -0.344 3.381 1.00 0.59 N ATOM 2390 CA GLU A 153 14.255 -0.958 3.419 1.00 0.69 C ATOM 2391 C GLU A 153 14.243 -2.298 2.690 1.00 0.70 C ATOM 2392 O GLU A 153 15.277 -2.779 2.228 1.00 0.80 O ATOM 2393 CB GLU A 153 14.724 -1.156 4.861 1.00 0.76 C ATOM 2394 CG GLU A 153 15.013 0.147 5.570 1.00 0.80 C ATOM 2395 CD GLU A 153 16.204 0.867 4.986 1.00 1.31 C ATOM 2396 OE1 GLU A 153 16.025 1.629 4.014 1.00 1.67 O ATOM 2397 OE2 GLU A 153 17.327 0.676 5.501 1.00 1.58 O ATOM 0 H GLU A 153 12.507 -0.187 4.296 1.00 0.59 H new ATOM 0 HA GLU A 153 14.951 -0.286 2.917 1.00 0.69 H new ATOM 0 HB2 GLU A 153 13.961 -1.703 5.414 1.00 0.76 H new ATOM 0 HB3 GLU A 153 15.623 -1.772 4.864 1.00 0.76 H new ATOM 0 HG2 GLU A 153 14.137 0.792 5.510 1.00 0.80 H new ATOM 0 HG3 GLU A 153 15.193 -0.050 6.627 1.00 0.80 H new ATOM 2404 N LEU A 154 13.060 -2.895 2.593 1.00 0.67 N ATOM 2405 CA LEU A 154 12.900 -4.177 1.936 1.00 0.72 C ATOM 2406 C LEU A 154 12.457 -3.974 0.493 1.00 0.74 C ATOM 2407 O LEU A 154 13.111 -4.436 -0.439 1.00 0.83 O ATOM 2408 CB LEU A 154 11.859 -5.026 2.674 1.00 0.72 C ATOM 2409 CG LEU A 154 11.817 -4.842 4.196 1.00 0.83 C ATOM 2410 CD1 LEU A 154 10.790 -5.764 4.823 1.00 1.30 C ATOM 2411 CD2 LEU A 154 13.184 -5.074 4.811 1.00 1.14 C ATOM 0 H LEU A 154 12.195 -2.504 2.966 1.00 0.67 H new ATOM 0 HA LEU A 154 13.859 -4.695 1.950 1.00 0.72 H new ATOM 0 HB2 LEU A 154 10.874 -4.794 2.270 1.00 0.72 H new ATOM 0 HB3 LEU A 154 12.053 -6.077 2.458 1.00 0.72 H new ATOM 0 HG LEU A 154 11.523 -3.812 4.399 1.00 0.83 H new ATOM 0 HD11 LEU A 154 10.779 -5.615 5.903 1.00 1.30 H new ATOM 0 HD12 LEU A 154 9.804 -5.541 4.416 1.00 1.30 H new ATOM 0 HD13 LEU A 154 11.048 -6.800 4.602 1.00 1.30 H new ATOM 0 HD21 LEU A 154 13.125 -4.937 5.891 1.00 1.14 H new ATOM 0 HD22 LEU A 154 13.514 -6.089 4.591 1.00 1.14 H new ATOM 0 HD23 LEU A 154 13.896 -4.363 4.393 1.00 1.14 H new ATOM 2423 N TYR A 155 11.347 -3.264 0.317 1.00 0.69 N ATOM 2424 CA TYR A 155 10.737 -3.122 -0.999 1.00 0.78 C ATOM 2425 C TYR A 155 10.621 -1.674 -1.431 1.00 0.77 C ATOM 2426 O TYR A 155 9.767 -1.315 -2.244 1.00 1.15 O ATOM 2427 CB TYR A 155 9.374 -3.783 -1.020 1.00 0.86 C ATOM 2428 CG TYR A 155 8.401 -3.369 0.067 1.00 1.40 C ATOM 2429 CD1 TYR A 155 7.795 -2.118 0.041 1.00 2.24 C ATOM 2430 CD2 TYR A 155 8.123 -4.208 1.136 1.00 1.83 C ATOM 2431 CE1 TYR A 155 6.941 -1.718 1.050 1.00 3.16 C ATOM 2432 CE2 TYR A 155 7.264 -3.820 2.144 1.00 2.65 C ATOM 2433 CZ TYR A 155 6.555 -2.645 2.015 1.00 3.24 C ATOM 2434 OH TYR A 155 5.837 -2.183 3.111 1.00 4.24 O ATOM 0 H TYR A 155 10.853 -2.780 1.067 1.00 0.69 H new ATOM 0 HA TYR A 155 11.395 -3.619 -1.712 1.00 0.78 H new ATOM 0 HB2 TYR A 155 8.912 -3.580 -1.986 1.00 0.86 H new ATOM 0 HB3 TYR A 155 9.518 -4.862 -0.956 1.00 0.86 H new ATOM 0 HD1 TYR A 155 7.995 -1.448 -0.782 1.00 2.24 H new ATOM 0 HD2 TYR A 155 8.587 -5.182 1.180 1.00 1.83 H new ATOM 0 HE1 TYR A 155 6.578 -0.702 1.090 1.00 3.16 H new ATOM 0 HE2 TYR A 155 7.148 -4.432 3.026 1.00 2.65 H new ATOM 0 HH TYR A 155 5.796 -1.204 3.086 1.00 4.24 H new ATOM 2444 N GLY A 156 11.500 -0.866 -0.905 1.00 0.66 N ATOM 2445 CA GLY A 156 11.489 0.555 -1.189 1.00 0.64 C ATOM 2446 C GLY A 156 11.695 0.875 -2.639 1.00 0.78 C ATOM 2447 O GLY A 156 12.174 0.050 -3.419 1.00 1.10 O ATOM 0 H GLY A 156 12.242 -1.164 -0.271 1.00 0.66 H new ATOM 0 HA2 GLY A 156 10.537 0.975 -0.864 1.00 0.64 H new ATOM 0 HA3 GLY A 156 12.269 1.041 -0.603 1.00 0.64 H new ATOM 2451 N ASN A 157 11.314 2.082 -2.978 1.00 0.70 N ATOM 2452 CA ASN A 157 11.425 2.602 -4.319 1.00 0.80 C ATOM 2453 C ASN A 157 12.843 2.448 -4.857 1.00 1.14 C ATOM 2454 O ASN A 157 13.765 3.133 -4.412 1.00 1.29 O ATOM 2455 CB ASN A 157 11.041 4.068 -4.271 1.00 0.70 C ATOM 2456 CG ASN A 157 11.033 4.740 -5.630 1.00 0.77 C ATOM 2457 OD1 ASN A 157 12.061 5.231 -6.100 1.00 0.88 O ATOM 2458 ND2 ASN A 157 9.872 4.784 -6.265 1.00 0.76 N ATOM 0 H ASN A 157 10.910 2.744 -2.316 1.00 0.70 H new ATOM 0 HA ASN A 157 10.766 2.047 -4.987 1.00 0.80 H new ATOM 0 HB2 ASN A 157 10.051 4.161 -3.824 1.00 0.70 H new ATOM 0 HB3 ASN A 157 11.737 4.596 -3.619 1.00 0.70 H new ATOM 0 HD21 ASN A 157 9.806 5.236 -7.177 1.00 0.76 H new ATOM 0 HD22 ASN A 157 9.043 4.366 -5.842 1.00 0.76 H new ATOM 2465 N ASN A 158 13.017 1.548 -5.808 1.00 1.40 N ATOM 2466 CA ASN A 158 14.324 1.335 -6.399 1.00 1.79 C ATOM 2467 C ASN A 158 14.421 2.085 -7.710 1.00 1.93 C ATOM 2468 O ASN A 158 15.489 2.165 -8.308 1.00 2.18 O ATOM 2469 CB ASN A 158 14.606 -0.152 -6.621 1.00 2.11 C ATOM 2470 CG ASN A 158 15.950 -0.566 -6.054 1.00 2.55 C ATOM 2471 OD1 ASN A 158 16.980 -0.449 -6.712 1.00 2.99 O ATOM 2472 ND2 ASN A 158 15.951 -1.071 -4.831 1.00 2.94 N ATOM 0 H ASN A 158 12.276 0.957 -6.185 1.00 1.40 H new ATOM 0 HA ASN A 158 15.074 1.714 -5.705 1.00 1.79 H new ATOM 0 HB2 ASN A 158 13.818 -0.744 -6.155 1.00 2.11 H new ATOM 0 HB3 ASN A 158 14.580 -0.371 -7.689 1.00 2.11 H new ATOM 0 HD21 ASN A 158 16.826 -1.378 -4.407 1.00 2.94 H new ATOM 0 HD22 ASN A 158 15.076 -1.154 -4.313 1.00 2.94 H new ATOM 2479 N ALA A 159 13.294 2.651 -8.139 1.00 1.86 N ATOM 2480 CA ALA A 159 13.239 3.462 -9.350 1.00 2.10 C ATOM 2481 C ALA A 159 14.314 4.544 -9.329 1.00 2.25 C ATOM 2482 O ALA A 159 14.884 4.892 -10.362 1.00 2.52 O ATOM 2483 CB ALA A 159 11.860 4.087 -9.503 1.00 2.14 C ATOM 0 H ALA A 159 12.399 2.560 -7.659 1.00 1.86 H new ATOM 0 HA ALA A 159 13.427 2.813 -10.205 1.00 2.10 H new ATOM 0 HB1 ALA A 159 11.832 4.690 -10.411 1.00 2.14 H new ATOM 0 HB2 ALA A 159 11.109 3.300 -9.567 1.00 2.14 H new ATOM 0 HB3 ALA A 159 11.650 4.720 -8.641 1.00 2.14 H new ATOM 2489 N ALA A 160 14.582 5.075 -8.144 1.00 2.17 N ATOM 2490 CA ALA A 160 15.673 6.018 -7.965 1.00 2.44 C ATOM 2491 C ALA A 160 16.914 5.311 -7.433 1.00 2.55 C ATOM 2492 O ALA A 160 18.037 5.653 -7.801 1.00 2.87 O ATOM 2493 CB ALA A 160 15.259 7.127 -7.017 1.00 2.45 C ATOM 0 H ALA A 160 14.058 4.868 -7.294 1.00 2.17 H new ATOM 0 HA ALA A 160 15.912 6.453 -8.935 1.00 2.44 H new ATOM 0 HB1 ALA A 160 16.086 7.826 -6.892 1.00 2.45 H new ATOM 0 HB2 ALA A 160 14.397 7.654 -7.427 1.00 2.45 H new ATOM 0 HB3 ALA A 160 14.996 6.699 -6.049 1.00 2.45 H new ATOM 2499 N ALA A 161 16.694 4.309 -6.585 1.00 2.37 N ATOM 2500 CA ALA A 161 17.781 3.597 -5.915 1.00 2.60 C ATOM 2501 C ALA A 161 18.768 2.989 -6.910 1.00 2.85 C ATOM 2502 O ALA A 161 19.917 3.418 -6.981 1.00 3.20 O ATOM 2503 CB ALA A 161 17.222 2.524 -4.994 1.00 2.50 C ATOM 0 H ALA A 161 15.763 3.969 -6.344 1.00 2.37 H new ATOM 0 HA ALA A 161 18.331 4.326 -5.319 1.00 2.60 H new ATOM 0 HB1 ALA A 161 18.043 2.003 -4.502 1.00 2.50 H new ATOM 0 HB2 ALA A 161 16.584 2.987 -4.241 1.00 2.50 H new ATOM 0 HB3 ALA A 161 16.638 1.812 -5.577 1.00 2.50 H new ATOM 2509 N GLU A 162 18.326 2.004 -7.691 1.00 2.76 N ATOM 2510 CA GLU A 162 19.206 1.359 -8.661 1.00 3.08 C ATOM 2511 C GLU A 162 19.606 2.319 -9.764 1.00 3.31 C ATOM 2512 O GLU A 162 20.640 2.136 -10.407 1.00 3.67 O ATOM 2513 CB GLU A 162 18.571 0.117 -9.282 1.00 3.06 C ATOM 2514 CG GLU A 162 17.184 0.337 -9.852 1.00 3.25 C ATOM 2515 CD GLU A 162 16.724 -0.826 -10.702 1.00 3.48 C ATOM 2516 OE1 GLU A 162 17.136 -0.910 -11.878 1.00 3.71 O ATOM 2517 OE2 GLU A 162 15.944 -1.661 -10.203 1.00 3.72 O ATOM 0 H GLU A 162 17.374 1.639 -7.671 1.00 2.76 H new ATOM 0 HA GLU A 162 20.094 1.051 -8.108 1.00 3.08 H new ATOM 0 HB2 GLU A 162 19.222 -0.250 -10.076 1.00 3.06 H new ATOM 0 HB3 GLU A 162 18.519 -0.666 -8.525 1.00 3.06 H new ATOM 0 HG2 GLU A 162 16.478 0.490 -9.036 1.00 3.25 H new ATOM 0 HG3 GLU A 162 17.180 1.247 -10.452 1.00 3.25 H new ATOM 2524 N SER A 163 18.794 3.337 -9.983 1.00 3.19 N ATOM 2525 CA SER A 163 19.098 4.324 -10.996 1.00 3.52 C ATOM 2526 C SER A 163 20.364 5.086 -10.606 1.00 3.81 C ATOM 2527 O SER A 163 21.240 5.332 -11.438 1.00 4.18 O ATOM 2528 CB SER A 163 17.918 5.284 -11.182 1.00 3.44 C ATOM 2529 OG SER A 163 18.135 6.164 -12.271 1.00 3.87 O ATOM 0 H SER A 163 17.925 3.499 -9.475 1.00 3.19 H new ATOM 0 HA SER A 163 19.271 3.819 -11.947 1.00 3.52 H new ATOM 0 HB2 SER A 163 17.005 4.713 -11.350 1.00 3.44 H new ATOM 0 HB3 SER A 163 17.769 5.861 -10.270 1.00 3.44 H new ATOM 0 HG SER A 163 17.365 6.763 -12.366 1.00 3.87 H new ATOM 2535 N ARG A 164 20.463 5.434 -9.326 1.00 3.70 N ATOM 2536 CA ARG A 164 21.649 6.099 -8.807 1.00 4.07 C ATOM 2537 C ARG A 164 22.755 5.088 -8.563 1.00 4.24 C ATOM 2538 O ARG A 164 23.937 5.376 -8.738 1.00 4.61 O ATOM 2539 CB ARG A 164 21.320 6.855 -7.524 1.00 4.05 C ATOM 2540 CG ARG A 164 20.393 8.028 -7.763 1.00 4.12 C ATOM 2541 CD ARG A 164 21.083 9.127 -8.552 1.00 4.41 C ATOM 2542 NE ARG A 164 20.180 10.236 -8.859 1.00 4.73 N ATOM 2543 CZ ARG A 164 20.274 10.983 -9.957 1.00 5.32 C ATOM 2544 NH1 ARG A 164 21.215 10.726 -10.856 1.00 5.65 N ATOM 2545 NH2 ARG A 164 19.430 11.988 -10.153 1.00 5.82 N ATOM 0 H ARG A 164 19.735 5.266 -8.631 1.00 3.70 H new ATOM 0 HA ARG A 164 21.996 6.819 -9.548 1.00 4.07 H new ATOM 0 HB2 ARG A 164 20.859 6.171 -6.811 1.00 4.05 H new ATOM 0 HB3 ARG A 164 22.244 7.213 -7.070 1.00 4.05 H new ATOM 0 HG2 ARG A 164 19.508 7.691 -8.303 1.00 4.12 H new ATOM 0 HG3 ARG A 164 20.051 8.424 -6.807 1.00 4.12 H new ATOM 0 HD2 ARG A 164 21.935 9.501 -7.983 1.00 4.41 H new ATOM 0 HD3 ARG A 164 21.477 8.713 -9.480 1.00 4.41 H new ATOM 0 HE ARG A 164 19.436 10.449 -8.194 1.00 4.73 H new ATOM 0 HH11 ARG A 164 21.867 9.956 -10.706 1.00 5.65 H new ATOM 0 HH12 ARG A 164 21.287 11.299 -11.697 1.00 5.65 H new ATOM 0 HH21 ARG A 164 18.708 12.189 -9.462 1.00 5.82 H new ATOM 0 HH22 ARG A 164 19.504 12.559 -10.995 1.00 5.82 H new ATOM 2559 N LYS A 165 22.346 3.896 -8.176 1.00 4.03 N ATOM 2560 CA LYS A 165 23.263 2.785 -7.954 1.00 4.26 C ATOM 2561 C LYS A 165 24.092 2.508 -9.197 1.00 4.49 C ATOM 2562 O LYS A 165 25.304 2.311 -9.122 1.00 4.77 O ATOM 2563 CB LYS A 165 22.490 1.521 -7.598 1.00 4.10 C ATOM 2564 CG LYS A 165 23.380 0.319 -7.413 1.00 4.47 C ATOM 2565 CD LYS A 165 22.609 -0.975 -7.551 1.00 4.47 C ATOM 2566 CE LYS A 165 22.220 -1.229 -8.998 1.00 4.43 C ATOM 2567 NZ LYS A 165 23.389 -1.643 -9.822 1.00 4.72 N ATOM 0 H LYS A 165 21.367 3.666 -8.005 1.00 4.03 H new ATOM 0 HA LYS A 165 23.922 3.063 -7.132 1.00 4.26 H new ATOM 0 HB2 LYS A 165 21.926 1.693 -6.681 1.00 4.10 H new ATOM 0 HB3 LYS A 165 21.765 1.312 -8.384 1.00 4.10 H new ATOM 0 HG2 LYS A 165 24.183 0.344 -8.149 1.00 4.47 H new ATOM 0 HG3 LYS A 165 23.848 0.361 -6.429 1.00 4.47 H new ATOM 0 HD2 LYS A 165 23.214 -1.803 -7.183 1.00 4.47 H new ATOM 0 HD3 LYS A 165 21.713 -0.936 -6.932 1.00 4.47 H new ATOM 0 HE2 LYS A 165 21.455 -2.004 -9.038 1.00 4.43 H new ATOM 0 HE3 LYS A 165 21.780 -0.325 -9.420 1.00 4.43 H new ATOM 0 HZ1 LYS A 165 23.058 -1.985 -10.747 1.00 4.72 H new ATOM 0 HZ2 LYS A 165 24.022 -0.830 -9.960 1.00 4.72 H new ATOM 0 HZ3 LYS A 165 23.904 -2.404 -9.336 1.00 4.72 H new ATOM 2581 N GLY A 166 23.425 2.498 -10.340 1.00 4.45 N ATOM 2582 CA GLY A 166 24.084 2.141 -11.573 1.00 4.72 C ATOM 2583 C GLY A 166 25.192 3.103 -11.953 1.00 4.91 C ATOM 2584 O GLY A 166 26.166 2.712 -12.597 1.00 5.10 O ATOM 0 H GLY A 166 22.437 2.732 -10.434 1.00 4.45 H new ATOM 0 HA2 GLY A 166 24.498 1.137 -11.480 1.00 4.72 H new ATOM 0 HA3 GLY A 166 23.347 2.108 -12.376 1.00 4.72 H new ATOM 2588 N GLN A 167 25.063 4.362 -11.549 1.00 4.92 N ATOM 2589 CA GLN A 167 26.093 5.347 -11.844 1.00 5.16 C ATOM 2590 C GLN A 167 27.141 5.397 -10.740 1.00 5.19 C ATOM 2591 O GLN A 167 28.210 5.979 -10.925 1.00 5.45 O ATOM 2592 CB GLN A 167 25.499 6.737 -12.090 1.00 5.30 C ATOM 2593 CG GLN A 167 24.571 7.233 -10.994 1.00 5.16 C ATOM 2594 CD GLN A 167 24.074 8.649 -11.236 1.00 5.42 C ATOM 2595 OE1 GLN A 167 23.777 9.382 -10.294 1.00 5.60 O ATOM 2596 NE2 GLN A 167 23.984 9.050 -12.494 1.00 5.72 N ATOM 0 H GLN A 167 24.266 4.720 -11.023 1.00 4.92 H new ATOM 0 HA GLN A 167 26.582 5.030 -12.765 1.00 5.16 H new ATOM 0 HB2 GLN A 167 26.315 7.450 -12.207 1.00 5.30 H new ATOM 0 HB3 GLN A 167 24.951 6.722 -13.032 1.00 5.30 H new ATOM 0 HG2 GLN A 167 23.716 6.561 -10.917 1.00 5.16 H new ATOM 0 HG3 GLN A 167 25.093 7.195 -10.038 1.00 5.16 H new ATOM 0 HE21 GLN A 167 24.239 8.416 -13.251 1.00 5.72 H new ATOM 0 HE22 GLN A 167 23.660 9.994 -12.707 1.00 5.72 H new ATOM 2605 N GLU A 168 26.842 4.777 -9.603 1.00 5.02 N ATOM 2606 CA GLU A 168 27.830 4.618 -8.542 1.00 5.17 C ATOM 2607 C GLU A 168 28.883 3.601 -8.960 1.00 5.30 C ATOM 2608 O GLU A 168 29.975 3.543 -8.390 1.00 5.55 O ATOM 2609 CB GLU A 168 27.185 4.163 -7.231 1.00 5.10 C ATOM 2610 CG GLU A 168 26.294 5.199 -6.568 1.00 5.39 C ATOM 2611 CD GLU A 168 25.873 4.772 -5.176 1.00 5.63 C ATOM 2612 OE1 GLU A 168 24.893 4.009 -5.051 1.00 5.81 O ATOM 2613 OE2 GLU A 168 26.546 5.171 -4.198 1.00 5.88 O ATOM 0 H GLU A 168 25.927 4.378 -9.393 1.00 5.02 H new ATOM 0 HA GLU A 168 28.293 5.591 -8.377 1.00 5.17 H new ATOM 0 HB2 GLU A 168 26.595 3.267 -7.424 1.00 5.10 H new ATOM 0 HB3 GLU A 168 27.973 3.882 -6.533 1.00 5.10 H new ATOM 0 HG2 GLU A 168 26.823 6.151 -6.512 1.00 5.39 H new ATOM 0 HG3 GLU A 168 25.408 5.362 -7.182 1.00 5.39 H new ATOM 2620 N ARG A 169 28.551 2.799 -9.963 1.00 5.23 N ATOM 2621 CA ARG A 169 29.489 1.825 -10.497 1.00 5.45 C ATOM 2622 C ARG A 169 30.582 2.569 -11.251 1.00 5.78 C ATOM 2623 O ARG A 169 31.746 2.172 -11.251 1.00 6.09 O ATOM 2624 CB ARG A 169 28.757 0.833 -11.413 1.00 5.37 C ATOM 2625 CG ARG A 169 29.518 -0.461 -11.681 1.00 5.66 C ATOM 2626 CD ARG A 169 30.643 -0.279 -12.689 1.00 6.08 C ATOM 2627 NE ARG A 169 31.418 -1.506 -12.872 1.00 6.39 N ATOM 2628 CZ ARG A 169 32.399 -1.645 -13.766 1.00 6.90 C ATOM 2629 NH1 ARG A 169 32.710 -0.643 -14.581 1.00 7.13 N ATOM 2630 NH2 ARG A 169 33.063 -2.790 -13.850 1.00 7.34 N ATOM 0 H ARG A 169 27.640 2.805 -10.422 1.00 5.23 H new ATOM 0 HA ARG A 169 29.940 1.252 -9.687 1.00 5.45 H new ATOM 0 HB2 ARG A 169 27.794 0.587 -10.965 1.00 5.37 H new ATOM 0 HB3 ARG A 169 28.550 1.322 -12.365 1.00 5.37 H new ATOM 0 HG2 ARG A 169 29.931 -0.836 -10.745 1.00 5.66 H new ATOM 0 HG3 ARG A 169 28.824 -1.217 -12.049 1.00 5.66 H new ATOM 0 HD2 ARG A 169 30.225 0.032 -13.646 1.00 6.08 H new ATOM 0 HD3 ARG A 169 31.304 0.521 -12.355 1.00 6.08 H new ATOM 0 HE ARG A 169 31.195 -2.305 -12.279 1.00 6.39 H new ATOM 0 HH11 ARG A 169 32.198 0.238 -14.525 1.00 7.13 H new ATOM 0 HH12 ARG A 169 33.461 -0.754 -15.263 1.00 7.13 H new ATOM 0 HH21 ARG A 169 32.824 -3.565 -13.231 1.00 7.34 H new ATOM 0 HH22 ARG A 169 33.813 -2.896 -14.533 1.00 7.34 H new ATOM 2644 N LEU A 170 30.194 3.677 -11.865 1.00 5.79 N ATOM 2645 CA LEU A 170 31.120 4.510 -12.608 1.00 6.19 C ATOM 2646 C LEU A 170 31.426 5.777 -11.822 1.00 6.32 C ATOM 2647 O LEU A 170 31.750 6.819 -12.395 1.00 6.79 O ATOM 2648 CB LEU A 170 30.551 4.863 -13.980 1.00 6.33 C ATOM 2649 CG LEU A 170 30.575 3.744 -15.032 1.00 6.61 C ATOM 2650 CD1 LEU A 170 31.962 3.125 -15.131 1.00 6.97 C ATOM 2651 CD2 LEU A 170 29.529 2.680 -14.730 1.00 6.43 C ATOM 0 H LEU A 170 29.233 4.020 -11.861 1.00 5.79 H new ATOM 0 HA LEU A 170 32.044 3.952 -12.756 1.00 6.19 H new ATOM 0 HB2 LEU A 170 29.519 5.189 -13.850 1.00 6.33 H new ATOM 0 HB3 LEU A 170 31.107 5.715 -14.373 1.00 6.33 H new ATOM 0 HG LEU A 170 30.329 4.189 -15.996 1.00 6.61 H new ATOM 0 HD11 LEU A 170 31.955 2.335 -15.882 1.00 6.97 H new ATOM 0 HD12 LEU A 170 32.683 3.891 -15.417 1.00 6.97 H new ATOM 0 HD13 LEU A 170 32.243 2.705 -14.165 1.00 6.97 H new ATOM 0 HD21 LEU A 170 29.571 1.902 -15.492 1.00 6.43 H new ATOM 0 HD22 LEU A 170 29.728 2.241 -13.752 1.00 6.43 H new ATOM 0 HD23 LEU A 170 28.538 3.134 -14.729 1.00 6.43 H new ATOM 2663 N GLU A 171 31.316 5.672 -10.503 1.00 6.03 N ATOM 2664 CA GLU A 171 31.591 6.786 -9.608 1.00 6.27 C ATOM 2665 C GLU A 171 33.072 7.153 -9.668 1.00 6.70 C ATOM 2666 O GLU A 171 33.906 6.545 -8.998 1.00 6.90 O ATOM 2667 CB GLU A 171 31.187 6.415 -8.179 1.00 6.34 C ATOM 2668 CG GLU A 171 31.379 7.528 -7.165 1.00 6.31 C ATOM 2669 CD GLU A 171 31.120 7.054 -5.751 1.00 6.67 C ATOM 2670 OE1 GLU A 171 31.976 6.327 -5.199 1.00 6.97 O ATOM 2671 OE2 GLU A 171 30.069 7.403 -5.181 1.00 6.91 O ATOM 0 H GLU A 171 31.035 4.815 -10.027 1.00 6.03 H new ATOM 0 HA GLU A 171 31.008 7.652 -9.923 1.00 6.27 H new ATOM 0 HB2 GLU A 171 30.139 6.115 -8.177 1.00 6.34 H new ATOM 0 HB3 GLU A 171 31.768 5.548 -7.863 1.00 6.34 H new ATOM 0 HG2 GLU A 171 32.396 7.914 -7.238 1.00 6.31 H new ATOM 0 HG3 GLU A 171 30.707 8.353 -7.400 1.00 6.31 H new ATOM 2678 N HIS A 172 33.391 8.127 -10.502 1.00 7.18 N ATOM 2679 CA HIS A 172 34.773 8.535 -10.699 1.00 7.91 C ATOM 2680 C HIS A 172 34.858 10.058 -10.745 1.00 8.34 C ATOM 2681 O HIS A 172 35.846 10.633 -11.201 1.00 8.55 O ATOM 2682 CB HIS A 172 35.310 7.916 -11.995 1.00 8.43 C ATOM 2683 CG HIS A 172 36.803 7.938 -12.110 1.00 8.65 C ATOM 2684 ND1 HIS A 172 37.471 8.619 -13.101 1.00 8.91 N ATOM 2685 CD2 HIS A 172 37.757 7.341 -11.358 1.00 8.94 C ATOM 2686 CE1 HIS A 172 38.770 8.442 -12.956 1.00 9.32 C ATOM 2687 NE2 HIS A 172 38.969 7.671 -11.906 1.00 9.35 N ATOM 0 H HIS A 172 32.712 8.651 -11.054 1.00 7.18 H new ATOM 0 HA HIS A 172 35.384 8.183 -9.868 1.00 7.91 H new ATOM 0 HB2 HIS A 172 34.966 6.884 -12.062 1.00 8.43 H new ATOM 0 HB3 HIS A 172 34.883 8.450 -12.844 1.00 8.43 H new ATOM 0 HD2 HIS A 172 37.594 6.721 -10.489 1.00 8.94 H new ATOM 0 HE1 HIS A 172 39.539 8.858 -13.590 1.00 9.32 H new ATOM 0 HE2 HIS A 172 39.879 7.369 -11.557 1.00 9.35 H new ATOM 2696 N HIS A 173 33.802 10.702 -10.268 1.00 8.71 N ATOM 2697 CA HIS A 173 33.741 12.157 -10.209 1.00 9.35 C ATOM 2698 C HIS A 173 33.196 12.589 -8.853 1.00 9.73 C ATOM 2699 O HIS A 173 33.850 13.323 -8.108 1.00 10.12 O ATOM 2700 CB HIS A 173 32.843 12.718 -11.322 1.00 9.85 C ATOM 2701 CG HIS A 173 33.270 12.363 -12.714 1.00 10.34 C ATOM 2702 ND1 HIS A 173 34.197 13.089 -13.432 1.00 10.84 N ATOM 2703 CD2 HIS A 173 32.877 11.356 -13.529 1.00 10.66 C ATOM 2704 CE1 HIS A 173 34.353 12.546 -14.624 1.00 11.40 C ATOM 2705 NE2 HIS A 173 33.563 11.493 -14.707 1.00 11.31 N ATOM 0 H HIS A 173 32.968 10.235 -9.913 1.00 8.71 H new ATOM 0 HA HIS A 173 34.749 12.548 -10.349 1.00 9.35 H new ATOM 0 HB2 HIS A 173 31.826 12.357 -11.166 1.00 9.85 H new ATOM 0 HB3 HIS A 173 32.813 13.804 -11.232 1.00 9.85 H new ATOM 0 HD2 HIS A 173 32.156 10.587 -13.294 1.00 10.66 H new ATOM 0 HE1 HIS A 173 35.015 12.903 -15.400 1.00 11.40 H new ATOM 0 HE2 HIS A 173 33.477 10.880 -15.517 1.00 11.31 H new ATOM 2714 N HIS A 174 31.986 12.112 -8.553 1.00 9.86 N ATOM 2715 CA HIS A 174 31.298 12.377 -7.286 1.00 10.40 C ATOM 2716 C HIS A 174 31.007 13.871 -7.105 1.00 11.06 C ATOM 2717 O HIS A 174 30.790 14.345 -5.988 1.00 11.27 O ATOM 2718 CB HIS A 174 32.103 11.833 -6.098 1.00 10.58 C ATOM 2719 CG HIS A 174 31.259 11.545 -4.891 1.00 10.83 C ATOM 2720 ND1 HIS A 174 31.238 12.346 -3.771 1.00 11.12 N ATOM 2721 CD2 HIS A 174 30.395 10.532 -4.638 1.00 11.10 C ATOM 2722 CE1 HIS A 174 30.402 11.841 -2.883 1.00 11.52 C ATOM 2723 NE2 HIS A 174 29.877 10.741 -3.386 1.00 11.52 N ATOM 0 H HIS A 174 31.449 11.524 -9.190 1.00 9.86 H new ATOM 0 HA HIS A 174 30.342 11.854 -7.319 1.00 10.40 H new ATOM 0 HB2 HIS A 174 32.614 10.919 -6.402 1.00 10.58 H new ATOM 0 HB3 HIS A 174 32.874 12.555 -5.830 1.00 10.58 H new ATOM 0 HD2 HIS A 174 30.158 9.712 -5.300 1.00 11.10 H new ATOM 0 HE1 HIS A 174 30.185 12.258 -1.911 1.00 11.52 H new ATOM 0 HE2 HIS A 174 29.196 10.142 -2.919 1.00 11.52 H new ATOM 2732 N HIS A 175 30.971 14.605 -8.210 1.00 11.59 N ATOM 2733 CA HIS A 175 30.617 16.018 -8.173 1.00 12.41 C ATOM 2734 C HIS A 175 29.105 16.156 -8.096 1.00 12.84 C ATOM 2735 O HIS A 175 28.584 17.111 -7.524 1.00 13.21 O ATOM 2736 CB HIS A 175 31.145 16.751 -9.411 1.00 12.99 C ATOM 2737 CG HIS A 175 30.845 18.223 -9.424 1.00 13.51 C ATOM 2738 ND1 HIS A 175 29.677 18.753 -9.933 1.00 13.89 N ATOM 2739 CD2 HIS A 175 31.570 19.279 -8.984 1.00 13.89 C ATOM 2740 CE1 HIS A 175 29.699 20.065 -9.808 1.00 14.46 C ATOM 2741 NE2 HIS A 175 30.835 20.409 -9.236 1.00 14.48 N ATOM 0 H HIS A 175 31.182 14.246 -9.141 1.00 11.59 H new ATOM 0 HA HIS A 175 31.075 16.469 -7.293 1.00 12.41 H new ATOM 0 HB2 HIS A 175 32.224 16.610 -9.471 1.00 12.99 H new ATOM 0 HB3 HIS A 175 30.714 16.295 -10.302 1.00 12.99 H new ATOM 0 HD2 HIS A 175 32.545 19.239 -8.521 1.00 13.89 H new ATOM 0 HE1 HIS A 175 28.919 20.743 -10.121 1.00 14.46 H new ATOM 0 HE2 HIS A 175 31.122 21.363 -9.016 1.00 14.48 H new ATOM 2750 N HIS A 176 28.409 15.190 -8.684 1.00 12.98 N ATOM 2751 CA HIS A 176 26.956 15.165 -8.646 1.00 13.55 C ATOM 2752 C HIS A 176 26.490 14.862 -7.228 1.00 13.90 C ATOM 2753 O HIS A 176 26.351 13.701 -6.841 1.00 14.09 O ATOM 2754 CB HIS A 176 26.414 14.115 -9.623 1.00 13.99 C ATOM 2755 CG HIS A 176 24.975 14.315 -9.999 1.00 14.45 C ATOM 2756 ND1 HIS A 176 24.579 14.636 -11.275 1.00 14.88 N ATOM 2757 CD2 HIS A 176 23.837 14.230 -9.267 1.00 14.71 C ATOM 2758 CE1 HIS A 176 23.267 14.743 -11.317 1.00 15.37 C ATOM 2759 NE2 HIS A 176 22.787 14.502 -10.111 1.00 15.28 N ATOM 0 H HIS A 176 28.831 14.413 -9.193 1.00 12.98 H new ATOM 0 HA HIS A 176 26.573 16.140 -8.947 1.00 13.55 H new ATOM 0 HB2 HIS A 176 27.021 14.129 -10.529 1.00 13.99 H new ATOM 0 HB3 HIS A 176 26.528 13.127 -9.178 1.00 13.99 H new ATOM 0 HD2 HIS A 176 23.768 13.993 -8.216 1.00 14.71 H new ATOM 0 HE1 HIS A 176 22.682 14.987 -12.191 1.00 15.37 H new ATOM 0 HE2 HIS A 176 21.801 14.515 -9.849 1.00 15.28 H new ATOM 2768 N HIS A 177 26.294 15.910 -6.444 1.00 14.14 N ATOM 2769 CA HIS A 177 25.894 15.758 -5.057 1.00 14.65 C ATOM 2770 C HIS A 177 24.425 15.384 -4.960 1.00 15.60 C ATOM 2771 O HIS A 177 23.544 16.235 -5.093 1.00 16.02 O ATOM 2772 CB HIS A 177 26.173 17.041 -4.264 1.00 14.60 C ATOM 2773 CG HIS A 177 25.837 16.932 -2.806 1.00 14.47 C ATOM 2774 ND1 HIS A 177 26.670 16.337 -1.884 1.00 14.51 N ATOM 2775 CD2 HIS A 177 24.746 17.339 -2.114 1.00 14.51 C ATOM 2776 CE1 HIS A 177 26.106 16.381 -0.691 1.00 14.56 C ATOM 2777 NE2 HIS A 177 24.939 16.983 -0.804 1.00 14.56 N ATOM 0 H HIS A 177 26.406 16.877 -6.747 1.00 14.14 H new ATOM 0 HA HIS A 177 26.485 14.952 -4.622 1.00 14.65 H new ATOM 0 HB2 HIS A 177 27.227 17.300 -4.367 1.00 14.60 H new ATOM 0 HB3 HIS A 177 25.600 17.859 -4.700 1.00 14.60 H new ATOM 0 HD2 HIS A 177 23.884 17.849 -2.519 1.00 14.51 H new ATOM 0 HE1 HIS A 177 26.529 15.990 0.222 1.00 14.56 H new ATOM 0 HE2 HIS A 177 24.285 17.156 -0.040 1.00 14.56 H new ATOM 2786 N LEU A 178 24.170 14.103 -4.752 1.00 16.06 N ATOM 2787 CA LEU A 178 22.818 13.619 -4.541 1.00 17.08 C ATOM 2788 C LEU A 178 22.397 13.924 -3.112 1.00 17.58 C ATOM 2789 O LEU A 178 21.500 14.734 -2.874 1.00 17.74 O ATOM 2790 CB LEU A 178 22.740 12.111 -4.806 1.00 17.47 C ATOM 2791 CG LEU A 178 21.346 11.495 -4.659 1.00 17.56 C ATOM 2792 CD1 LEU A 178 20.408 12.028 -5.730 1.00 17.99 C ATOM 2793 CD2 LEU A 178 21.426 9.978 -4.722 1.00 17.68 C ATOM 0 H LEU A 178 24.886 13.377 -4.725 1.00 16.06 H new ATOM 0 HA LEU A 178 22.144 14.121 -5.235 1.00 17.08 H new ATOM 0 HB2 LEU A 178 23.101 11.917 -5.816 1.00 17.47 H new ATOM 0 HB3 LEU A 178 23.419 11.602 -4.121 1.00 17.47 H new ATOM 0 HG LEU A 178 20.946 11.778 -3.685 1.00 17.56 H new ATOM 0 HD11 LEU A 178 19.423 11.578 -5.608 1.00 17.99 H new ATOM 0 HD12 LEU A 178 20.326 13.111 -5.636 1.00 17.99 H new ATOM 0 HD13 LEU A 178 20.801 11.778 -6.715 1.00 17.99 H new ATOM 0 HD21 LEU A 178 20.427 9.556 -4.616 1.00 17.68 H new ATOM 0 HD22 LEU A 178 21.848 9.675 -5.680 1.00 17.68 H new ATOM 0 HD23 LEU A 178 22.061 9.613 -3.915 1.00 17.68 H new ATOM 2805 N GLU A 179 23.078 13.283 -2.172 1.00 17.95 N ATOM 2806 CA GLU A 179 22.861 13.492 -0.749 1.00 18.57 C ATOM 2807 C GLU A 179 23.849 12.637 0.028 1.00 19.13 C ATOM 2808 O GLU A 179 24.566 11.830 -0.567 1.00 19.11 O ATOM 2809 CB GLU A 179 21.418 13.151 -0.350 1.00 18.91 C ATOM 2810 CG GLU A 179 20.982 11.741 -0.713 1.00 18.77 C ATOM 2811 CD GLU A 179 19.516 11.504 -0.422 1.00 18.94 C ATOM 2812 OE1 GLU A 179 18.665 11.916 -1.240 1.00 19.19 O ATOM 2813 OE2 GLU A 179 19.207 10.888 0.619 1.00 18.93 O ATOM 0 H GLU A 179 23.804 12.597 -2.379 1.00 17.95 H new ATOM 0 HA GLU A 179 23.020 14.544 -0.514 1.00 18.57 H new ATOM 0 HB2 GLU A 179 21.310 13.286 0.726 1.00 18.91 H new ATOM 0 HB3 GLU A 179 20.744 13.861 -0.829 1.00 18.91 H new ATOM 0 HG2 GLU A 179 21.174 11.564 -1.771 1.00 18.77 H new ATOM 0 HG3 GLU A 179 21.582 11.022 -0.156 1.00 18.77 H new ATOM 2820 N HIS A 180 23.911 12.817 1.337 1.00 19.74 N ATOM 2821 CA HIS A 180 24.811 12.009 2.151 1.00 20.41 C ATOM 2822 C HIS A 180 24.035 10.883 2.818 1.00 20.84 C ATOM 2823 O HIS A 180 22.843 11.019 3.095 1.00 21.13 O ATOM 2824 CB HIS A 180 25.553 12.855 3.204 1.00 21.03 C ATOM 2825 CG HIS A 180 24.726 13.276 4.388 1.00 21.37 C ATOM 2826 ND1 HIS A 180 24.647 12.540 5.552 1.00 21.96 N ATOM 2827 CD2 HIS A 180 23.962 14.374 4.593 1.00 21.34 C ATOM 2828 CE1 HIS A 180 23.872 13.165 6.415 1.00 22.26 C ATOM 2829 NE2 HIS A 180 23.444 14.281 5.860 1.00 21.90 N ATOM 0 H HIS A 180 23.360 13.502 1.854 1.00 19.74 H new ATOM 0 HA HIS A 180 25.567 11.584 1.491 1.00 20.41 H new ATOM 0 HB2 HIS A 180 26.411 12.287 3.564 1.00 21.03 H new ATOM 0 HB3 HIS A 180 25.944 13.749 2.718 1.00 21.03 H new ATOM 0 HD1 HIS A 180 25.116 11.650 5.719 1.00 21.96 H new ATOM 0 HD2 HIS A 180 23.792 15.175 3.889 1.00 21.34 H new ATOM 0 HE1 HIS A 180 23.629 12.821 7.409 1.00 22.26 H new ATOM 2838 N HIS A 181 24.712 9.776 3.064 1.00 20.99 N ATOM 2839 CA HIS A 181 24.090 8.638 3.721 1.00 21.54 C ATOM 2840 C HIS A 181 24.114 8.842 5.231 1.00 22.31 C ATOM 2841 O HIS A 181 24.741 9.779 5.725 1.00 22.51 O ATOM 2842 CB HIS A 181 24.806 7.334 3.348 1.00 21.37 C ATOM 2843 CG HIS A 181 24.690 6.962 1.898 1.00 21.01 C ATOM 2844 ND1 HIS A 181 23.930 5.902 1.449 1.00 20.83 N ATOM 2845 CD2 HIS A 181 25.264 7.500 0.794 1.00 20.92 C ATOM 2846 CE1 HIS A 181 24.044 5.804 0.137 1.00 20.64 C ATOM 2847 NE2 HIS A 181 24.846 6.762 -0.285 1.00 20.70 N ATOM 0 H HIS A 181 25.693 9.640 2.819 1.00 20.99 H new ATOM 0 HA HIS A 181 23.056 8.563 3.385 1.00 21.54 H new ATOM 0 HB2 HIS A 181 25.861 7.426 3.605 1.00 21.37 H new ATOM 0 HB3 HIS A 181 24.400 6.524 3.953 1.00 21.37 H new ATOM 0 HD2 HIS A 181 25.927 8.352 0.768 1.00 20.92 H new ATOM 0 HE1 HIS A 181 23.562 5.064 -0.485 1.00 20.64 H new ATOM 0 HE2 HIS A 181 25.112 6.928 -1.256 1.00 20.70 H new ATOM 2856 N HIS A 182 23.439 7.970 5.962 1.00 22.83 N ATOM 2857 CA HIS A 182 23.372 8.091 7.412 1.00 23.69 C ATOM 2858 C HIS A 182 23.940 6.849 8.087 1.00 24.16 C ATOM 2859 O HIS A 182 23.219 5.915 8.427 1.00 24.40 O ATOM 2860 CB HIS A 182 21.934 8.375 7.891 1.00 24.01 C ATOM 2861 CG HIS A 182 20.885 7.450 7.337 1.00 24.24 C ATOM 2862 ND1 HIS A 182 20.425 6.336 8.008 1.00 24.67 N ATOM 2863 CD2 HIS A 182 20.195 7.492 6.173 1.00 24.22 C ATOM 2864 CE1 HIS A 182 19.502 5.737 7.281 1.00 24.89 C ATOM 2865 NE2 HIS A 182 19.344 6.417 6.163 1.00 24.63 N ATOM 0 H HIS A 182 22.931 7.173 5.579 1.00 22.83 H new ATOM 0 HA HIS A 182 23.986 8.944 7.701 1.00 23.69 H new ATOM 0 HB2 HIS A 182 21.911 8.316 8.979 1.00 24.01 H new ATOM 0 HB3 HIS A 182 21.673 9.399 7.622 1.00 24.01 H new ATOM 0 HD2 HIS A 182 20.296 8.235 5.396 1.00 24.22 H new ATOM 0 HE1 HIS A 182 18.966 4.840 7.555 1.00 24.89 H new ATOM 0 HE2 HIS A 182 18.694 6.182 5.413 1.00 24.63 H new ATOM 2874 N HIS A 183 25.252 6.838 8.257 1.00 24.38 N ATOM 2875 CA HIS A 183 25.930 5.710 8.877 1.00 24.93 C ATOM 2876 C HIS A 183 26.096 5.940 10.373 1.00 25.44 C ATOM 2877 O HIS A 183 26.135 4.985 11.150 1.00 25.58 O ATOM 2878 CB HIS A 183 27.301 5.482 8.235 1.00 25.08 C ATOM 2879 CG HIS A 183 27.244 5.024 6.810 1.00 25.22 C ATOM 2880 ND1 HIS A 183 27.259 3.697 6.446 1.00 25.36 N ATOM 2881 CD2 HIS A 183 27.182 5.725 5.655 1.00 25.35 C ATOM 2882 CE1 HIS A 183 27.211 3.602 5.131 1.00 25.56 C ATOM 2883 NE2 HIS A 183 27.164 4.819 4.623 1.00 25.56 N ATOM 0 H HIS A 183 25.870 7.598 7.974 1.00 24.38 H new ATOM 0 HA HIS A 183 25.316 4.823 8.721 1.00 24.93 H new ATOM 0 HB2 HIS A 183 27.871 6.410 8.284 1.00 25.08 H new ATOM 0 HB3 HIS A 183 27.845 4.742 8.821 1.00 25.08 H new ATOM 0 HD2 HIS A 183 27.152 6.801 5.561 1.00 25.35 H new ATOM 0 HE1 HIS A 183 27.210 2.682 4.565 1.00 25.56 H new ATOM 0 HE2 HIS A 183 27.121 5.048 3.630 1.00 25.56 H new ATOM 2892 N HIS A 184 26.199 7.217 10.761 1.00 25.80 N ATOM 2893 CA HIS A 184 26.386 7.629 12.164 1.00 26.40 C ATOM 2894 C HIS A 184 27.805 7.350 12.661 1.00 26.96 C ATOM 2895 O HIS A 184 28.315 8.075 13.515 1.00 27.37 O ATOM 2896 CB HIS A 184 25.362 6.966 13.096 1.00 26.76 C ATOM 2897 CG HIS A 184 23.974 7.515 12.966 1.00 26.84 C ATOM 2898 ND1 HIS A 184 23.414 8.360 13.896 1.00 26.92 N ATOM 2899 CD2 HIS A 184 23.024 7.316 12.023 1.00 26.96 C ATOM 2900 CE1 HIS A 184 22.181 8.655 13.536 1.00 27.09 C ATOM 2901 NE2 HIS A 184 21.917 8.036 12.403 1.00 27.11 N ATOM 0 H HIS A 184 26.155 8.000 10.109 1.00 25.80 H new ATOM 0 HA HIS A 184 26.224 8.707 12.188 1.00 26.40 H new ATOM 0 HB2 HIS A 184 25.339 5.896 12.891 1.00 26.76 H new ATOM 0 HB3 HIS A 184 25.694 7.086 14.127 1.00 26.76 H new ATOM 0 HD2 HIS A 184 23.118 6.705 11.137 1.00 26.96 H new ATOM 0 HE1 HIS A 184 21.502 9.296 14.078 1.00 27.09 H new ATOM 0 HE2 HIS A 184 21.036 8.084 11.892 1.00 27.11 H new ATOM 2910 N HIS A 185 28.429 6.306 12.118 1.00 27.04 N ATOM 2911 CA HIS A 185 29.795 5.925 12.476 1.00 27.63 C ATOM 2912 C HIS A 185 29.889 5.558 13.950 1.00 27.78 C ATOM 2913 O HIS A 185 29.484 4.435 14.306 1.00 27.59 O ATOM 2914 CB HIS A 185 30.794 7.041 12.141 1.00 28.05 C ATOM 2915 CG HIS A 185 30.956 7.285 10.673 1.00 28.32 C ATOM 2916 ND1 HIS A 185 30.332 8.316 10.007 1.00 28.85 N ATOM 2917 CD2 HIS A 185 31.686 6.627 9.742 1.00 28.21 C ATOM 2918 CE1 HIS A 185 30.668 8.283 8.732 1.00 29.06 C ATOM 2919 NE2 HIS A 185 31.490 7.268 8.545 1.00 28.68 N ATOM 2920 OXT HIS A 185 30.376 6.384 14.750 1.00 28.16 O ATOM 0 H HIS A 185 28.002 5.700 11.417 1.00 27.04 H new ATOM 0 HA HIS A 185 30.055 5.048 11.882 1.00 27.63 H new ATOM 0 HB2 HIS A 185 30.467 7.964 12.620 1.00 28.05 H new ATOM 0 HB3 HIS A 185 31.765 6.787 12.567 1.00 28.05 H new ATOM 0 HD2 HIS A 185 32.307 5.759 9.910 1.00 28.21 H new ATOM 0 HE1 HIS A 185 30.328 8.970 7.971 1.00 29.06 H new ATOM 0 HE2 HIS A 185 31.911 7.003 7.655 1.00 28.68 H new TER 2929 HIS A 185 HETATM 2930 C ACE B1001 -17.476 -17.942 1.240 1.00 3.23 C HETATM 2931 O ACE B1001 -17.217 -18.434 2.342 1.00 3.56 O HETATM 2932 CH3 ACE B1001 -18.528 -16.860 1.131 1.00 4.05 C HETATM 0 H1 ACE B1001 -18.077 -15.953 0.728 1.00 4.05 H new HETATM 0 H2 ACE B1001 -19.326 -17.194 0.468 1.00 4.05 H new HETATM 0 H3 ACE B1001 -18.940 -16.652 2.119 1.00 4.05 H new ATOM 2936 N GLY B1002 -16.853 -18.337 0.140 1.00 2.68 N ATOM 2937 CA GLY B1002 -15.844 -19.374 0.189 1.00 2.37 C ATOM 2938 C GLY B1002 -14.482 -18.864 -0.229 1.00 2.24 C ATOM 2939 O GLY B1002 -13.528 -19.635 -0.350 1.00 2.97 O ATOM 0 H GLY B1002 -17.029 -17.956 -0.790 1.00 2.68 H new ATOM 0 HA2 GLY B1002 -15.786 -19.775 1.201 1.00 2.37 H new ATOM 0 HA3 GLY B1002 -16.138 -20.196 -0.463 1.00 2.37 H new ATOM 2943 N CYS B1003 -14.386 -17.563 -0.450 1.00 1.72 N ATOM 2944 CA CYS B1003 -13.137 -16.961 -0.883 1.00 1.60 C ATOM 2945 C CYS B1003 -12.772 -15.790 0.009 1.00 1.42 C ATOM 2946 O CYS B1003 -12.901 -15.868 1.231 1.00 1.55 O ATOM 2947 CB CYS B1003 -13.245 -16.469 -2.322 1.00 1.63 C ATOM 2948 SG CYS B1003 -13.936 -17.680 -3.487 1.00 1.94 S ATOM 0 H CYS B1003 -15.157 -16.905 -0.337 1.00 1.72 H new ATOM 0 HA CYS B1003 -12.362 -17.725 -0.818 1.00 1.60 H new ATOM 0 HB2 CYS B1003 -13.865 -15.573 -2.340 1.00 1.63 H new ATOM 0 HB3 CYS B1003 -12.253 -16.177 -2.668 1.00 1.63 H new ATOM 2953 N VAL B1004 -12.325 -14.712 -0.639 1.00 1.37 N ATOM 2954 CA VAL B1004 -11.880 -13.488 0.001 1.00 1.19 C ATOM 2955 C VAL B1004 -10.985 -13.778 1.211 1.00 1.19 C ATOM 2956 O VAL B1004 -9.815 -14.036 0.991 1.00 1.63 O ATOM 2957 CB VAL B1004 -13.060 -12.527 0.262 1.00 1.15 C ATOM 2958 CG1 VAL B1004 -13.882 -12.425 -1.003 1.00 1.41 C ATOM 2959 CG2 VAL B1004 -13.948 -12.934 1.417 1.00 1.42 C ATOM 0 H VAL B1004 -12.264 -14.673 -1.656 1.00 1.37 H new ATOM 0 HA VAL B1004 -11.233 -12.943 -0.686 1.00 1.19 H new ATOM 0 HB VAL B1004 -12.632 -11.565 0.545 1.00 1.15 H new ATOM 0 HG11 VAL B1004 -14.721 -11.750 -0.838 1.00 1.41 H new ATOM 0 HG12 VAL B1004 -13.260 -12.040 -1.811 1.00 1.41 H new ATOM 0 HG13 VAL B1004 -14.258 -13.412 -1.273 1.00 1.41 H new ATOM 0 HG21 VAL B1004 -14.751 -12.206 1.532 1.00 1.42 H new ATOM 0 HG22 VAL B1004 -14.375 -13.917 1.219 1.00 1.42 H new ATOM 0 HG23 VAL B1004 -13.359 -12.972 2.333 1.00 1.42 H new ATOM 2969 N GLY B1005 -11.498 -13.756 2.450 1.00 1.02 N ATOM 2970 CA GLY B1005 -10.753 -14.285 3.592 1.00 1.07 C ATOM 2971 C GLY B1005 -9.965 -15.572 3.312 1.00 1.05 C ATOM 2972 O GLY B1005 -8.990 -15.863 4.000 1.00 1.20 O ATOM 0 H GLY B1005 -12.418 -13.380 2.681 1.00 1.02 H new ATOM 0 HA2 GLY B1005 -10.059 -13.520 3.940 1.00 1.07 H new ATOM 0 HA3 GLY B1005 -11.452 -14.475 4.406 1.00 1.07 H new ATOM 2976 N ARG B1006 -10.399 -16.360 2.334 1.00 1.08 N ATOM 2977 CA ARG B1006 -9.664 -17.558 1.925 1.00 1.08 C ATOM 2978 C ARG B1006 -8.580 -17.231 0.898 1.00 1.04 C ATOM 2979 O ARG B1006 -7.512 -17.838 0.894 1.00 1.10 O ATOM 2980 CB ARG B1006 -10.619 -18.590 1.317 1.00 1.14 C ATOM 2981 CG ARG B1006 -11.297 -19.495 2.329 1.00 1.24 C ATOM 2982 CD ARG B1006 -12.074 -18.708 3.370 1.00 1.55 C ATOM 2983 NE ARG B1006 -12.959 -19.560 4.164 1.00 1.88 N ATOM 2984 CZ ARG B1006 -13.237 -19.353 5.453 1.00 2.43 C ATOM 2985 NH1 ARG B1006 -12.625 -18.392 6.131 1.00 2.88 N ATOM 2986 NH2 ARG B1006 -14.114 -20.125 6.077 1.00 2.87 N ATOM 0 H ARG B1006 -11.257 -16.193 1.808 1.00 1.08 H new ATOM 0 HA ARG B1006 -9.192 -17.964 2.820 1.00 1.08 H new ATOM 0 HB2 ARG B1006 -11.386 -18.065 0.747 1.00 1.14 H new ATOM 0 HB3 ARG B1006 -10.064 -19.208 0.611 1.00 1.14 H new ATOM 0 HG2 ARG B1006 -11.973 -20.175 1.811 1.00 1.24 H new ATOM 0 HG3 ARG B1006 -10.546 -20.109 2.826 1.00 1.24 H new ATOM 0 HD2 ARG B1006 -11.375 -18.197 4.032 1.00 1.55 H new ATOM 0 HD3 ARG B1006 -12.664 -17.938 2.874 1.00 1.55 H new ATOM 0 HE ARG B1006 -13.390 -20.362 3.704 1.00 1.88 H new ATOM 0 HH11 ARG B1006 -11.934 -17.802 5.668 1.00 2.88 H new ATOM 0 HH12 ARG B1006 -12.845 -18.243 7.116 1.00 2.88 H new ATOM 0 HH21 ARG B1006 -14.579 -20.880 5.572 1.00 2.87 H new ATOM 0 HH22 ARG B1006 -14.325 -19.965 7.062 1.00 2.87 H new ATOM 3000 N ALA B1007 -8.856 -16.251 0.049 1.00 1.02 N ATOM 3001 CA ALA B1007 -8.048 -16.007 -1.138 1.00 1.05 C ATOM 3002 C ALA B1007 -6.980 -14.944 -0.909 1.00 1.02 C ATOM 3003 O ALA B1007 -5.801 -15.202 -1.124 1.00 1.31 O ATOM 3004 CB ALA B1007 -8.942 -15.607 -2.301 1.00 1.10 C ATOM 0 H ALA B1007 -9.639 -15.608 0.162 1.00 1.02 H new ATOM 0 HA ALA B1007 -7.530 -16.937 -1.373 1.00 1.05 H new ATOM 0 HB1 ALA B1007 -8.330 -15.426 -3.185 1.00 1.10 H new ATOM 0 HB2 ALA B1007 -9.650 -16.409 -2.508 1.00 1.10 H new ATOM 0 HB3 ALA B1007 -9.487 -14.698 -2.045 1.00 1.10 H new ATOM 3010 N LEU B1008 -7.391 -13.761 -0.472 1.00 0.84 N ATOM 3011 CA LEU B1008 -6.465 -12.638 -0.306 1.00 0.83 C ATOM 3012 C LEU B1008 -5.470 -12.954 0.794 1.00 0.78 C ATOM 3013 O LEU B1008 -4.280 -12.699 0.660 1.00 0.79 O ATOM 3014 CB LEU B1008 -7.220 -11.348 0.035 1.00 0.90 C ATOM 3015 CG LEU B1008 -8.146 -10.791 -1.052 1.00 0.88 C ATOM 3016 CD1 LEU B1008 -7.389 -10.630 -2.353 1.00 1.13 C ATOM 3017 CD2 LEU B1008 -9.368 -11.667 -1.254 1.00 1.33 C ATOM 0 H LEU B1008 -8.358 -13.550 -0.225 1.00 0.84 H new ATOM 0 HA LEU B1008 -5.937 -12.487 -1.247 1.00 0.83 H new ATOM 0 HB2 LEU B1008 -7.814 -11.527 0.931 1.00 0.90 H new ATOM 0 HB3 LEU B1008 -6.488 -10.580 0.286 1.00 0.90 H new ATOM 0 HG LEU B1008 -8.496 -9.814 -0.720 1.00 0.88 H new ATOM 0 HD11 LEU B1008 -8.058 -10.234 -3.117 1.00 1.13 H new ATOM 0 HD12 LEU B1008 -6.557 -9.941 -2.207 1.00 1.13 H new ATOM 0 HD13 LEU B1008 -7.006 -11.599 -2.674 1.00 1.13 H new ATOM 0 HD21 LEU B1008 -9.999 -11.238 -2.032 1.00 1.33 H new ATOM 0 HD22 LEU B1008 -9.053 -12.667 -1.552 1.00 1.33 H new ATOM 0 HD23 LEU B1008 -9.931 -11.726 -0.323 1.00 1.33 H new ATOM 3029 N ALA B1009 -5.994 -13.491 1.880 1.00 0.78 N ATOM 3030 CA ALA B1009 -5.210 -14.020 2.980 1.00 0.78 C ATOM 3031 C ALA B1009 -4.032 -14.832 2.454 1.00 0.80 C ATOM 3032 O ALA B1009 -2.896 -14.726 2.918 1.00 0.76 O ATOM 3033 CB ALA B1009 -6.060 -14.928 3.834 1.00 0.88 C ATOM 0 H ALA B1009 -7.000 -13.573 2.025 1.00 0.78 H new ATOM 0 HA ALA B1009 -4.848 -13.177 3.568 1.00 0.78 H new ATOM 0 HB1 ALA B1009 -5.461 -15.319 4.657 1.00 0.88 H new ATOM 0 HB2 ALA B1009 -6.904 -14.366 4.235 1.00 0.88 H new ATOM 0 HB3 ALA B1009 -6.430 -15.756 3.229 1.00 0.88 H new ATOM 3039 N ALA B1010 -4.357 -15.654 1.460 1.00 0.89 N ATOM 3040 CA ALA B1010 -3.430 -16.592 0.854 1.00 0.94 C ATOM 3041 C ALA B1010 -2.520 -15.896 -0.152 1.00 0.92 C ATOM 3042 O ALA B1010 -1.298 -16.028 -0.096 1.00 0.92 O ATOM 3043 CB ALA B1010 -4.228 -17.690 0.169 1.00 1.03 C ATOM 0 H ALA B1010 -5.290 -15.684 1.049 1.00 0.89 H new ATOM 0 HA ALA B1010 -2.795 -17.019 1.630 1.00 0.94 H new ATOM 0 HB1 ALA B1010 -3.544 -18.403 -0.292 1.00 1.03 H new ATOM 0 HB2 ALA B1010 -4.847 -18.204 0.905 1.00 1.03 H new ATOM 0 HB3 ALA B1010 -4.866 -17.251 -0.598 1.00 1.03 H new ATOM 3049 N PHE B1011 -3.124 -15.150 -1.069 1.00 0.93 N ATOM 3050 CA PHE B1011 -2.382 -14.432 -2.099 1.00 0.93 C ATOM 3051 C PHE B1011 -1.530 -13.322 -1.484 1.00 0.85 C ATOM 3052 O PHE B1011 -0.568 -12.852 -2.091 1.00 0.89 O ATOM 3053 CB PHE B1011 -3.346 -13.839 -3.135 1.00 0.97 C ATOM 3054 CG PHE B1011 -3.848 -14.822 -4.164 1.00 1.12 C ATOM 3055 CD1 PHE B1011 -3.089 -15.155 -5.282 1.00 1.50 C ATOM 3056 CD2 PHE B1011 -5.078 -15.434 -3.999 1.00 1.18 C ATOM 3057 CE1 PHE B1011 -3.547 -16.067 -6.204 1.00 1.67 C ATOM 3058 CE2 PHE B1011 -5.542 -16.352 -4.921 1.00 1.32 C ATOM 3059 CZ PHE B1011 -4.770 -16.601 -6.093 1.00 1.46 C ATOM 0 H PHE B1011 -4.135 -15.026 -1.120 1.00 0.93 H new ATOM 0 HA PHE B1011 -1.719 -15.141 -2.595 1.00 0.93 H new ATOM 0 HB2 PHE B1011 -4.202 -13.412 -2.612 1.00 0.97 H new ATOM 0 HB3 PHE B1011 -2.845 -13.019 -3.650 1.00 0.97 H new ATOM 0 HD1 PHE B1011 -2.125 -14.690 -5.428 1.00 1.50 H new ATOM 0 HD2 PHE B1011 -5.683 -15.191 -3.138 1.00 1.18 H new ATOM 0 HE1 PHE B1011 -2.912 -16.356 -7.028 1.00 1.67 H new ATOM 0 HE2 PHE B1011 -6.474 -16.872 -4.757 1.00 1.32 H new ATOM 0 HZ PHE B1011 -5.169 -17.216 -6.886 1.00 1.46 H new ATOM 3069 N GLY B1012 -1.885 -12.921 -0.273 1.00 0.78 N ATOM 3070 CA GLY B1012 -1.186 -11.850 0.400 1.00 0.72 C ATOM 3071 C GLY B1012 0.078 -12.308 1.083 1.00 0.73 C ATOM 3072 O GLY B1012 0.794 -11.505 1.681 1.00 0.78 O ATOM 0 H GLY B1012 -2.655 -13.325 0.260 1.00 0.78 H new ATOM 0 HA2 GLY B1012 -0.940 -11.073 -0.324 1.00 0.72 H new ATOM 0 HA3 GLY B1012 -1.849 -11.399 1.139 1.00 0.72 H new ATOM 3076 N ASP B1013 0.344 -13.602 1.024 1.00 0.78 N ATOM 3077 CA ASP B1013 1.627 -14.129 1.473 1.00 0.86 C ATOM 3078 C ASP B1013 2.632 -14.115 0.315 1.00 0.93 C ATOM 3079 O ASP B1013 3.748 -14.622 0.425 1.00 1.06 O ATOM 3080 CB ASP B1013 1.454 -15.546 2.033 1.00 0.98 C ATOM 3081 CG ASP B1013 2.717 -16.084 2.680 1.00 1.18 C ATOM 3082 OD1 ASP B1013 3.212 -15.463 3.647 1.00 1.48 O ATOM 3083 OD2 ASP B1013 3.208 -17.146 2.240 1.00 1.90 O ATOM 0 H ASP B1013 -0.305 -14.306 0.672 1.00 0.78 H new ATOM 0 HA ASP B1013 2.013 -13.496 2.272 1.00 0.86 H new ATOM 0 HB2 ASP B1013 0.648 -15.545 2.767 1.00 0.98 H new ATOM 0 HB3 ASP B1013 1.151 -16.215 1.228 1.00 0.98 H new ATOM 3088 N CYS B1014 2.227 -13.513 -0.800 1.00 0.93 N ATOM 3089 CA CYS B1014 3.094 -13.391 -1.967 1.00 1.06 C ATOM 3090 C CYS B1014 3.439 -11.922 -2.216 1.00 1.08 C ATOM 3091 O CYS B1014 2.699 -11.214 -2.898 1.00 1.44 O ATOM 3092 CB CYS B1014 2.405 -13.957 -3.213 1.00 1.12 C ATOM 3093 SG CYS B1014 1.328 -15.397 -2.907 1.00 1.34 S ATOM 0 H CYS B1014 1.301 -13.101 -0.919 1.00 0.93 H new ATOM 0 HA CYS B1014 4.005 -13.956 -1.771 1.00 1.06 H new ATOM 0 HB2 CYS B1014 1.810 -13.167 -3.672 1.00 1.12 H new ATOM 0 HB3 CYS B1014 3.170 -14.241 -3.936 1.00 1.12 H new ATOM 3098 N ILE B1015 4.541 -11.451 -1.641 1.00 1.14 N ATOM 3099 CA ILE B1015 4.962 -10.067 -1.832 1.00 1.23 C ATOM 3100 C ILE B1015 6.441 -10.018 -2.186 1.00 1.67 C ATOM 3101 O ILE B1015 6.827 -10.216 -3.338 1.00 2.20 O ATOM 3102 CB ILE B1015 4.734 -9.184 -0.575 1.00 1.32 C ATOM 3103 CG1 ILE B1015 3.478 -9.598 0.197 1.00 2.19 C ATOM 3104 CG2 ILE B1015 4.640 -7.718 -0.978 1.00 1.41 C ATOM 3105 CD1 ILE B1015 3.731 -10.693 1.215 1.00 2.91 C ATOM 0 H ILE B1015 5.155 -12.003 -1.043 1.00 1.14 H new ATOM 0 HA ILE B1015 4.349 -9.670 -2.641 1.00 1.23 H new ATOM 0 HB ILE B1015 5.588 -9.327 0.087 1.00 1.32 H new ATOM 0 HG12 ILE B1015 3.070 -8.725 0.707 1.00 2.19 H new ATOM 0 HG13 ILE B1015 2.721 -9.937 -0.510 1.00 2.19 H new ATOM 0 HG21 ILE B1015 4.480 -7.106 -0.090 1.00 1.41 H new ATOM 0 HG22 ILE B1015 5.566 -7.415 -1.466 1.00 1.41 H new ATOM 0 HG23 ILE B1015 3.806 -7.583 -1.667 1.00 1.41 H new ATOM 0 HD11 ILE B1015 2.799 -10.938 1.725 1.00 2.91 H new ATOM 0 HD12 ILE B1015 4.111 -11.580 0.708 1.00 2.91 H new ATOM 0 HD13 ILE B1015 4.465 -10.349 1.944 1.00 2.91 H new ATOM 3117 N ASN B1016 7.265 -9.762 -1.182 1.00 2.03 N ATOM 3118 CA ASN B1016 8.706 -9.728 -1.356 1.00 2.59 C ATOM 3119 C ASN B1016 9.366 -10.487 -0.217 1.00 2.83 C ATOM 3120 O ASN B1016 9.411 -10.014 0.919 1.00 3.29 O ATOM 3121 CB ASN B1016 9.218 -8.283 -1.408 1.00 3.32 C ATOM 3122 CG ASN B1016 10.706 -8.207 -1.697 1.00 3.73 C ATOM 3123 OD1 ASN B1016 11.269 -9.083 -2.356 1.00 4.03 O ATOM 3124 ND2 ASN B1016 11.354 -7.159 -1.215 1.00 4.29 N ATOM 0 H ASN B1016 6.955 -9.573 -0.229 1.00 2.03 H new ATOM 0 HA ASN B1016 8.960 -10.203 -2.303 1.00 2.59 H new ATOM 0 HB2 ASN B1016 8.673 -7.735 -2.176 1.00 3.32 H new ATOM 0 HB3 ASN B1016 9.010 -7.792 -0.457 1.00 3.32 H new ATOM 0 HD21 ASN B1016 12.354 -7.056 -1.385 1.00 4.29 H new ATOM 0 HD22 ASN B1016 10.853 -6.454 -0.674 1.00 4.29 H new ATOM 3131 N ARG B1017 9.853 -11.676 -0.526 1.00 3.18 N ATOM 3132 CA ARG B1017 10.416 -12.562 0.482 1.00 3.90 C ATOM 3133 C ARG B1017 11.941 -12.467 0.510 1.00 4.54 C ATOM 3134 O ARG B1017 12.516 -11.891 1.433 1.00 5.06 O ATOM 3135 CB ARG B1017 9.938 -14.004 0.240 1.00 4.55 C ATOM 3136 CG ARG B1017 10.012 -14.446 -1.214 1.00 5.10 C ATOM 3137 CD ARG B1017 9.192 -15.700 -1.470 1.00 5.97 C ATOM 3138 NE ARG B1017 9.671 -16.852 -0.709 1.00 6.51 N ATOM 3139 CZ ARG B1017 9.290 -18.106 -0.947 1.00 7.49 C ATOM 3140 NH1 ARG B1017 8.425 -18.363 -1.921 1.00 8.03 N ATOM 3141 NH2 ARG B1017 9.776 -19.098 -0.212 1.00 8.17 N ATOM 0 H ARG B1017 9.870 -12.054 -1.473 1.00 3.18 H new ATOM 0 HA ARG B1017 10.062 -12.248 1.464 1.00 3.90 H new ATOM 0 HB2 ARG B1017 10.540 -14.682 0.846 1.00 4.55 H new ATOM 0 HB3 ARG B1017 8.908 -14.097 0.585 1.00 4.55 H new ATOM 0 HG2 ARG B1017 9.654 -13.641 -1.856 1.00 5.10 H new ATOM 0 HG3 ARG B1017 11.052 -14.631 -1.484 1.00 5.10 H new ATOM 0 HD2 ARG B1017 8.151 -15.507 -1.212 1.00 5.97 H new ATOM 0 HD3 ARG B1017 9.219 -15.936 -2.534 1.00 5.97 H new ATOM 0 HE ARG B1017 10.335 -16.686 0.047 1.00 6.51 H new ATOM 0 HH11 ARG B1017 8.053 -17.600 -2.487 1.00 8.03 H new ATOM 0 HH12 ARG B1017 8.133 -19.323 -2.104 1.00 8.03 H new ATOM 0 HH21 ARG B1017 10.441 -18.900 0.535 1.00 8.17 H new ATOM 0 HH22 ARG B1017 9.484 -20.058 -0.394 1.00 8.17 H new HETATM 3155 N NH2 B1018 12.598 -13.015 -0.499 1.00 4.96 N TER 3158 NH2 B1018 HETATM 3159 C1 33B B1100 -12.763 -19.046 -3.273 1.00 1.93 C HETATM 3160 C2 33B B1100 -11.311 -18.551 -3.175 1.00 1.78 C HETATM 3161 O2 33B B1100 -10.981 -17.454 -3.617 1.00 2.16 O HETATM 3162 N3 33B B1100 -10.477 -19.385 -2.555 1.00 1.51 N HETATM 3163 C4 33B B1100 -9.149 -19.234 -2.689 1.00 1.44 C HETATM 3164 C5 33B B1100 -8.326 -19.460 -1.578 1.00 1.42 C HETATM 3165 C6 33B B1100 -8.560 -18.868 -3.917 1.00 1.47 C HETATM 3166 S6 33B B1100 -9.503 -18.651 -5.386 1.00 1.71 S HETATM 3167 C7 33B B1100 -6.943 -19.333 -1.691 1.00 1.43 C HETATM 3168 C8 33B B1100 -7.180 -18.734 -4.003 1.00 1.42 C HETATM 3169 C9 33B B1100 -6.375 -18.977 -2.905 1.00 1.39 C HETATM 3170 N10 33B B1100 -5.056 -18.904 -3.051 1.00 1.40 N HETATM 3171 N11 33B B1100 -4.282 -19.124 -2.122 1.00 1.51 N HETATM 3172 C12 33B B1100 -2.978 -19.017 -2.355 1.00 1.54 C HETATM 3173 C13 33B B1100 -2.044 -19.189 -1.337 1.00 1.75 C HETATM 3174 C14 33B B1100 -2.561 -18.673 -3.621 1.00 1.42 C HETATM 3175 C15 33B B1100 -0.690 -18.994 -1.598 1.00 1.78 C HETATM 3176 C16 33B B1100 -1.214 -18.484 -3.888 1.00 1.45 C HETATM 3177 C17 33B B1100 -0.277 -18.634 -2.878 1.00 1.60 C HETATM 3178 S17 33B B1100 -0.687 -18.098 -5.508 1.00 1.38 S HETATM 3179 N18 33B B1100 1.000 -18.354 -3.129 1.00 1.62 N HETATM 3180 C19 33B B1100 1.778 -17.974 -2.116 1.00 1.65 C HETATM 3181 O19 33B B1100 1.918 -18.609 -1.070 1.00 1.92 O HETATM 3182 C20 33B B1100 2.503 -16.647 -2.342 1.00 1.43 C HETATM 3183 O61 33B B1100 -9.784 -17.192 -5.607 1.00 2.13 O HETATM 3184 O62 33B B1100 -10.803 -19.398 -5.307 1.00 2.30 O HETATM 3185 O63 33B B1100 -8.718 -19.164 -6.557 1.00 2.30 O HETATM 3186 O71 33B B1100 -1.841 -18.213 -6.463 1.00 2.03 O HETATM 3187 O72 33B B1100 -0.158 -16.692 -5.544 1.00 2.14 O HETATM 3188 O73 33B B1100 0.403 -19.041 -5.924 1.00 1.73 O HETATM 0 HO72 33B B1100 0.263 -16.479 -4.685 1.00 2.14 H new HETATM 0 HO62 33B B1100 -11.310 -19.261 -6.135 1.00 2.30 H new HETATM 0 HN18 33B B1100 1.374 -18.429 -4.075 1.00 1.62 H new HETATM 0 HN3 33B B1100 -10.848 -20.140 -1.977 1.00 1.51 H new HETATM 0 H8 33B B1100 -6.726 -18.434 -4.947 1.00 1.42 H new HETATM 0 H7 33B B1100 -6.307 -19.514 -0.824 1.00 1.43 H new HETATM 0 H5 33B B1100 -8.769 -19.736 -0.621 1.00 1.42 H new HETATM 0 H15 33B B1100 0.044 -19.123 -0.803 1.00 1.78 H new HETATM 0 H14 33B B1100 -3.294 -18.549 -4.418 1.00 1.42 H new HETATM 0 H13 33B B1100 -2.372 -19.476 -0.338 1.00 1.75 H new