USER MOD reduce.3.24.130724 H: found=0, std=0, add=1532, rem=0, adj=45 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= -1.99 F(o=-6.7!,f=-1.7) USER MOD Set 1.2: A 157 ASN : amide:sc= 0.32 K(o=-1.7,f=-6.1!) USER MOD Set 2.1: A 5 ASN : amide:sc= -2.24 K(o=-4.5,f=-8.5!) USER MOD Set 2.2: A 135 ASN : amide:sc= -2.24! C(o=-4.5!,f=-5.6!) USER MOD Set 3.1: A 69 THR OG1 : rot -82:sc= 0.839 USER MOD Set 3.2: A 117 LYS NZ :NH3+ -177:sc= 1.25 (180deg=1.2) USER MOD Set 4.1: A 43 SER OG : rot -136:sc= -0.748 USER MOD Set 4.2: A 47 LYS NZ :NH3+ 179:sc= 1.26 (180deg=1.11) USER MOD Set 5.1: A 23 SER OG : rot -113:sc= 0.107 USER MOD Set 5.2: A 25 SER OG : rot 180:sc= 0.193 USER MOD Set 6.1: A 16 LYS NZ :NH3+ 162:sc= 0.641 (180deg=-0.161) USER MOD Set 6.2: A 19 GLN : amide:sc= 0 X(o=0.64,f=0.38) USER MOD Single : A 1 MET CE :methyl 166:sc= -0.058 (180deg=-0.343) USER MOD Single : A 1 MET N :NH3+ 164:sc= 1.2 (180deg=1.13) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= -0.644 K(o=-0.64,f=-2.2) USER MOD Single : A 4 SER OG : rot 140:sc= 0.0453 USER MOD Single : A 14 SER OG : rot 74:sc= 1.13 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 -101:sc= 1.28 USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 28 SER OG : rot -49:sc= -0.504 USER MOD Single : A 33 ASN :FLIP amide:sc= -0.69 F(o=-4.8!,f=-0.69) USER MOD Single : A 35 THR OG1 : rot 43:sc= 0.125 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot -127:sc= 0.547 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN :FLIP amide:sc= -0.294 F(o=-1.6,f=-0.29) USER MOD Single : A 73 HIS : no HD1:sc= -0.24 X(o=-0.24,f=-0.24) USER MOD Single : A 75 THR OG1 : rot 20:sc= -5.33! USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.00145 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.264 X(o=-0.26,f=-0.00029) USER MOD Single : A 82 SER OG : rot -99:sc= -0.762! USER MOD Single : A 85 GLN : amide:sc= -1.19 K(o=-1.2,f=-3!) USER MOD Single : A 88 ASN : amide:sc= 0.369 K(o=0.37,f=-1.1) USER MOD Single : A 96 ASN :FLIP amide:sc= -1.96! C(o=-8!,f=-2!) USER MOD Single : A 105 SER OG : rot 133:sc= 0.291 USER MOD Single : A 111 CYS SG : rot 157:sc= -15.9! USER MOD Single : A 114 SER OG : rot 71:sc= 0.368 USER MOD Single : A 119 MET CE :methyl -153:sc= -4.19! (180deg=-9.6!) USER MOD Single : A 120 GLN :FLIP amide:sc= -3.77! C(o=-5.5!,f=-3.8!) USER MOD Single : A 124 SER OG : rot -90:sc= -0.356 USER MOD Single : A 130 MET CE :methyl 171:sc= -6.23! (180deg=-6.39!) USER MOD Single : A 132 THR OG1 : rot 85:sc= 0.18 USER MOD Single : A 133 TYR OH : rot 180:sc= 0 USER MOD Single : A 137 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 143 GLN : amide:sc= -0.0102 K(o=-0.01,f=-0.62) USER MOD Single : A 145 ASN : amide:sc= 0.848 K(o=0.85,f=-0.53) USER MOD Single : A 150 THR OG1 : rot -130:sc= 0 USER MOD Single : A 155 TYR OH : rot 180:sc= 0 USER MOD Single : A 158 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 163 SER OG : rot 180:sc= 0 USER MOD Single : A 165 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 167 GLN :FLIP amide:sc= 0 F(o=-0.67,f=0) USER MOD Single : A 172 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 173 HIS : no HE2:sc= 0.838 K(o=0.84,f=-5.3!) USER MOD Single : A 174 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 175 HIS : no HD1:sc= 0 X(o=0,f=-0.0048) USER MOD Single : A 176 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 177 HIS : no HD1:sc= -0.0984 X(o=-0.098,f=-0.013) USER MOD Single : A 180 HIS : no HD1:sc= 0 X(o=0,f=-0.0086) USER MOD Single : A 181 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 182 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 183 HIS : no HD1:sc= 0 X(o=0,f=-0.005) USER MOD Single : A 184 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 185 HIS : no HD1:sc= 0 X(o=0,f=-0.0031) USER MOD Single : B1016 ASN : amide:sc= 0.958 K(o=0.96,f=0.0022) USER MOD Single : B1100 33B O62 : rot 180:sc= -4.71! USER MOD Single : B1100 33B O72 : rot 50:sc= 1.41 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.820 9.395 12.792 1.00 4.13 N ATOM 2 CA MET A 1 3.507 9.917 13.243 1.00 3.61 C ATOM 3 C MET A 1 2.369 9.076 12.676 1.00 2.48 C ATOM 4 O MET A 1 2.500 8.470 11.613 1.00 2.89 O ATOM 5 CB MET A 1 3.325 11.383 12.827 1.00 4.18 C ATOM 6 CG MET A 1 3.250 11.594 11.321 1.00 4.89 C ATOM 7 SD MET A 1 2.822 13.290 10.869 1.00 5.86 S ATOM 8 CE MET A 1 4.211 14.188 11.559 1.00 6.21 C ATOM 0 H1 MET A 1 5.553 10.115 12.953 1.00 4.13 H new ATOM 0 H2 MET A 1 5.055 8.536 13.329 1.00 4.13 H new ATOM 0 H3 MET A 1 4.774 9.168 11.778 1.00 4.13 H new ATOM 0 HA MET A 1 3.484 9.858 14.331 1.00 3.61 H new ATOM 0 HB2 MET A 1 2.414 11.769 13.284 1.00 4.18 H new ATOM 0 HB3 MET A 1 4.154 11.969 13.225 1.00 4.18 H new ATOM 0 HG2 MET A 1 4.210 11.336 10.875 1.00 4.89 H new ATOM 0 HG3 MET A 1 2.510 10.913 10.900 1.00 4.89 H new ATOM 0 HE1 MET A 1 4.226 15.201 11.156 1.00 6.21 H new ATOM 0 HE2 MET A 1 4.114 14.230 12.644 1.00 6.21 H new ATOM 0 HE3 MET A 1 5.139 13.680 11.297 1.00 6.21 H new ATOM 20 N SER A 2 1.244 9.066 13.378 1.00 1.64 N ATOM 21 CA SER A 2 0.094 8.260 12.990 1.00 0.95 C ATOM 22 C SER A 2 -0.739 8.942 11.904 1.00 0.84 C ATOM 23 O SER A 2 -1.858 8.527 11.617 1.00 1.03 O ATOM 24 CB SER A 2 -0.775 7.984 14.217 1.00 1.55 C ATOM 25 OG SER A 2 -0.038 7.298 15.219 1.00 1.87 O ATOM 0 H SER A 2 1.103 9.613 14.227 1.00 1.64 H new ATOM 0 HA SER A 2 0.465 7.321 12.579 1.00 0.95 H new ATOM 0 HB2 SER A 2 -1.153 8.924 14.618 1.00 1.55 H new ATOM 0 HB3 SER A 2 -1.642 7.390 13.927 1.00 1.55 H new ATOM 0 HG SER A 2 -0.614 7.134 15.994 1.00 1.87 H new ATOM 31 N GLN A 3 -0.193 9.991 11.309 1.00 0.73 N ATOM 32 CA GLN A 3 -0.878 10.689 10.232 1.00 0.73 C ATOM 33 C GLN A 3 -0.332 10.268 8.876 1.00 0.61 C ATOM 34 O GLN A 3 -1.016 10.378 7.867 1.00 0.64 O ATOM 35 CB GLN A 3 -0.757 12.209 10.396 1.00 0.83 C ATOM 36 CG GLN A 3 -1.626 12.779 11.509 1.00 1.13 C ATOM 37 CD GLN A 3 -1.156 12.386 12.896 1.00 1.76 C ATOM 38 OE1 GLN A 3 0.044 12.244 13.145 1.00 2.42 O ATOM 39 NE2 GLN A 3 -2.100 12.173 13.797 1.00 2.22 N ATOM 0 H GLN A 3 0.719 10.377 11.552 1.00 0.73 H new ATOM 0 HA GLN A 3 -1.932 10.417 10.283 1.00 0.73 H new ATOM 0 HB2 GLN A 3 0.284 12.462 10.596 1.00 0.83 H new ATOM 0 HB3 GLN A 3 -1.027 12.689 9.455 1.00 0.83 H new ATOM 0 HG2 GLN A 3 -1.638 13.866 11.431 1.00 1.13 H new ATOM 0 HG3 GLN A 3 -2.652 12.438 11.370 1.00 1.13 H new ATOM 0 HE21 GLN A 3 -3.081 12.302 13.548 1.00 2.22 H new ATOM 0 HE22 GLN A 3 -1.847 11.879 14.741 1.00 2.22 H new ATOM 48 N SER A 4 0.888 9.759 8.856 1.00 0.55 N ATOM 49 CA SER A 4 1.549 9.439 7.597 1.00 0.52 C ATOM 50 C SER A 4 0.941 8.203 6.939 1.00 0.45 C ATOM 51 O SER A 4 1.029 8.035 5.724 1.00 0.46 O ATOM 52 CB SER A 4 3.043 9.247 7.823 1.00 0.61 C ATOM 53 OG SER A 4 3.589 10.371 8.483 1.00 1.25 O ATOM 0 H SER A 4 1.440 9.559 9.690 1.00 0.55 H new ATOM 0 HA SER A 4 1.398 10.277 6.917 1.00 0.52 H new ATOM 0 HB2 SER A 4 3.215 8.349 8.417 1.00 0.61 H new ATOM 0 HB3 SER A 4 3.546 9.098 6.867 1.00 0.61 H new ATOM 0 HG SER A 4 4.240 10.073 9.152 1.00 1.25 H new ATOM 59 N ASN A 5 0.310 7.349 7.739 1.00 0.43 N ATOM 60 CA ASN A 5 -0.385 6.178 7.203 1.00 0.39 C ATOM 61 C ASN A 5 -1.563 6.608 6.340 1.00 0.35 C ATOM 62 O ASN A 5 -2.022 5.855 5.480 1.00 0.35 O ATOM 63 CB ASN A 5 -0.866 5.245 8.322 1.00 0.40 C ATOM 64 CG ASN A 5 -1.455 5.986 9.497 1.00 0.80 C ATOM 65 OD1 ASN A 5 -2.062 7.042 9.340 1.00 1.78 O ATOM 66 ND2 ASN A 5 -1.266 5.440 10.692 1.00 0.53 N ATOM 0 H ASN A 5 0.264 7.442 8.754 1.00 0.43 H new ATOM 0 HA ASN A 5 0.327 5.627 6.589 1.00 0.39 H new ATOM 0 HB2 ASN A 5 -1.613 4.560 7.920 1.00 0.40 H new ATOM 0 HB3 ASN A 5 -0.029 4.638 8.666 1.00 0.40 H new ATOM 0 HD21 ASN A 5 -1.631 5.899 11.526 1.00 0.53 H new ATOM 0 HD22 ASN A 5 -0.756 4.561 10.776 1.00 0.53 H new ATOM 73 N ARG A 6 -2.042 7.823 6.575 1.00 0.35 N ATOM 74 CA ARG A 6 -3.075 8.412 5.743 1.00 0.34 C ATOM 75 C ARG A 6 -2.608 8.486 4.309 1.00 0.31 C ATOM 76 O ARG A 6 -3.270 7.992 3.407 1.00 0.30 O ATOM 77 CB ARG A 6 -3.429 9.813 6.231 1.00 0.41 C ATOM 78 CG ARG A 6 -4.802 9.884 6.855 1.00 0.59 C ATOM 79 CD ARG A 6 -5.867 9.469 5.857 1.00 0.41 C ATOM 80 NE ARG A 6 -7.125 9.147 6.526 1.00 0.68 N ATOM 81 CZ ARG A 6 -8.071 10.036 6.826 1.00 0.69 C ATOM 82 NH1 ARG A 6 -7.939 11.315 6.486 1.00 1.40 N ATOM 83 NH2 ARG A 6 -9.151 9.641 7.483 1.00 0.93 N ATOM 0 H ARG A 6 -1.727 8.420 7.340 1.00 0.35 H new ATOM 0 HA ARG A 6 -3.961 7.781 5.806 1.00 0.34 H new ATOM 0 HB2 ARG A 6 -2.686 10.138 6.960 1.00 0.41 H new ATOM 0 HB3 ARG A 6 -3.379 10.508 5.393 1.00 0.41 H new ATOM 0 HG2 ARG A 6 -4.843 9.235 7.730 1.00 0.59 H new ATOM 0 HG3 ARG A 6 -4.997 10.899 7.202 1.00 0.59 H new ATOM 0 HD2 ARG A 6 -6.030 10.274 5.140 1.00 0.41 H new ATOM 0 HD3 ARG A 6 -5.521 8.603 5.292 1.00 0.41 H new ATOM 0 HE ARG A 6 -7.291 8.173 6.781 1.00 0.68 H new ATOM 0 HH11 ARG A 6 -7.105 11.627 5.989 1.00 1.40 H new ATOM 0 HH12 ARG A 6 -8.672 11.984 6.723 1.00 1.40 H new ATOM 0 HH21 ARG A 6 -9.253 8.663 7.755 1.00 0.93 H new ATOM 0 HH22 ARG A 6 -9.880 10.315 7.717 1.00 0.93 H new ATOM 97 N GLU A 7 -1.447 9.085 4.127 1.00 0.30 N ATOM 98 CA GLU A 7 -0.869 9.278 2.810 1.00 0.29 C ATOM 99 C GLU A 7 -0.728 7.956 2.088 1.00 0.25 C ATOM 100 O GLU A 7 -1.117 7.827 0.938 1.00 0.26 O ATOM 101 CB GLU A 7 0.499 9.923 2.943 1.00 0.31 C ATOM 102 CG GLU A 7 0.472 11.219 3.713 1.00 0.40 C ATOM 103 CD GLU A 7 1.852 11.776 3.935 1.00 0.51 C ATOM 104 OE1 GLU A 7 2.487 12.218 2.954 1.00 0.68 O ATOM 105 OE2 GLU A 7 2.285 11.822 5.102 1.00 0.53 O ATOM 0 H GLU A 7 -0.877 9.452 4.889 1.00 0.30 H new ATOM 0 HA GLU A 7 -1.531 9.925 2.234 1.00 0.29 H new ATOM 0 HB2 GLU A 7 1.175 9.227 3.439 1.00 0.31 H new ATOM 0 HB3 GLU A 7 0.905 10.107 1.948 1.00 0.31 H new ATOM 0 HG2 GLU A 7 -0.130 11.949 3.172 1.00 0.40 H new ATOM 0 HG3 GLU A 7 -0.012 11.058 4.676 1.00 0.40 H new ATOM 112 N LEU A 8 -0.153 6.986 2.782 1.00 0.26 N ATOM 113 CA LEU A 8 -0.002 5.639 2.286 1.00 0.27 C ATOM 114 C LEU A 8 -1.313 5.123 1.688 1.00 0.28 C ATOM 115 O LEU A 8 -1.324 4.543 0.607 1.00 0.40 O ATOM 116 CB LEU A 8 0.455 4.764 3.452 1.00 0.34 C ATOM 117 CG LEU A 8 1.928 4.911 3.888 1.00 0.41 C ATOM 118 CD1 LEU A 8 2.495 6.329 3.701 1.00 1.00 C ATOM 119 CD2 LEU A 8 2.086 4.472 5.334 1.00 1.16 C ATOM 0 H LEU A 8 0.226 7.121 3.719 1.00 0.26 H new ATOM 0 HA LEU A 8 0.738 5.613 1.486 1.00 0.27 H new ATOM 0 HB2 LEU A 8 -0.179 4.983 4.312 1.00 0.34 H new ATOM 0 HB3 LEU A 8 0.281 3.722 3.185 1.00 0.34 H new ATOM 0 HG LEU A 8 2.508 4.264 3.229 1.00 0.41 H new ATOM 0 HD11 LEU A 8 3.534 6.352 4.030 1.00 1.00 H new ATOM 0 HD12 LEU A 8 2.441 6.606 2.648 1.00 1.00 H new ATOM 0 HD13 LEU A 8 1.912 7.035 4.292 1.00 1.00 H new ATOM 0 HD21 LEU A 8 3.128 4.578 5.635 1.00 1.16 H new ATOM 0 HD22 LEU A 8 1.459 5.093 5.973 1.00 1.16 H new ATOM 0 HD23 LEU A 8 1.785 3.429 5.433 1.00 1.16 H new ATOM 131 N VAL A 9 -2.415 5.370 2.387 1.00 0.23 N ATOM 132 CA VAL A 9 -3.739 5.019 1.888 1.00 0.23 C ATOM 133 C VAL A 9 -4.133 5.930 0.724 1.00 0.23 C ATOM 134 O VAL A 9 -4.298 5.482 -0.412 1.00 0.24 O ATOM 135 CB VAL A 9 -4.788 5.147 3.010 1.00 0.25 C ATOM 136 CG1 VAL A 9 -6.202 4.950 2.477 1.00 0.26 C ATOM 137 CG2 VAL A 9 -4.491 4.152 4.118 1.00 0.27 C ATOM 0 H VAL A 9 -2.417 5.814 3.305 1.00 0.23 H new ATOM 0 HA VAL A 9 -3.705 3.986 1.541 1.00 0.23 H new ATOM 0 HB VAL A 9 -4.728 6.157 3.415 1.00 0.25 H new ATOM 0 HG11 VAL A 9 -6.916 5.047 3.295 1.00 0.26 H new ATOM 0 HG12 VAL A 9 -6.414 5.704 1.719 1.00 0.26 H new ATOM 0 HG13 VAL A 9 -6.289 3.957 2.035 1.00 0.26 H new ATOM 0 HG21 VAL A 9 -5.238 4.251 4.906 1.00 0.27 H new ATOM 0 HG22 VAL A 9 -4.520 3.140 3.715 1.00 0.27 H new ATOM 0 HG23 VAL A 9 -3.501 4.350 4.530 1.00 0.27 H new ATOM 147 N VAL A 10 -4.264 7.209 1.037 1.00 0.23 N ATOM 148 CA VAL A 10 -4.749 8.224 0.103 1.00 0.25 C ATOM 149 C VAL A 10 -3.994 8.212 -1.223 1.00 0.25 C ATOM 150 O VAL A 10 -4.610 8.228 -2.293 1.00 0.27 O ATOM 151 CB VAL A 10 -4.623 9.616 0.742 1.00 0.28 C ATOM 152 CG1 VAL A 10 -5.173 10.691 -0.167 1.00 0.33 C ATOM 153 CG2 VAL A 10 -5.333 9.635 2.075 1.00 0.32 C ATOM 0 H VAL A 10 -4.034 7.581 1.959 1.00 0.23 H new ATOM 0 HA VAL A 10 -5.792 7.990 -0.110 1.00 0.25 H new ATOM 0 HB VAL A 10 -3.565 9.826 0.898 1.00 0.28 H new ATOM 0 HG11 VAL A 10 -5.069 11.663 0.315 1.00 0.33 H new ATOM 0 HG12 VAL A 10 -4.621 10.690 -1.107 1.00 0.33 H new ATOM 0 HG13 VAL A 10 -6.227 10.496 -0.365 1.00 0.33 H new ATOM 0 HG21 VAL A 10 -5.240 10.624 2.523 1.00 0.32 H new ATOM 0 HG22 VAL A 10 -6.387 9.400 1.929 1.00 0.32 H new ATOM 0 HG23 VAL A 10 -4.885 8.894 2.737 1.00 0.32 H new ATOM 163 N ASP A 11 -2.669 8.195 -1.145 1.00 0.26 N ATOM 164 CA ASP A 11 -1.818 8.225 -2.331 1.00 0.28 C ATOM 165 C ASP A 11 -2.164 7.078 -3.270 1.00 0.31 C ATOM 166 O ASP A 11 -2.189 7.246 -4.491 1.00 0.35 O ATOM 167 CB ASP A 11 -0.343 8.140 -1.923 1.00 0.32 C ATOM 168 CG ASP A 11 0.606 8.316 -3.089 1.00 0.39 C ATOM 169 OD1 ASP A 11 0.967 9.465 -3.402 1.00 0.59 O ATOM 170 OD2 ASP A 11 0.985 7.296 -3.706 1.00 0.49 O ATOM 0 H ASP A 11 -2.155 8.160 -0.264 1.00 0.26 H new ATOM 0 HA ASP A 11 -1.991 9.165 -2.854 1.00 0.28 H new ATOM 0 HB2 ASP A 11 -0.135 8.904 -1.174 1.00 0.32 H new ATOM 0 HB3 ASP A 11 -0.157 7.174 -1.453 1.00 0.32 H new ATOM 175 N PHE A 12 -2.471 5.924 -2.694 1.00 0.32 N ATOM 176 CA PHE A 12 -2.793 4.754 -3.486 1.00 0.38 C ATOM 177 C PHE A 12 -4.181 4.874 -4.094 1.00 0.34 C ATOM 178 O PHE A 12 -4.360 4.583 -5.276 1.00 0.39 O ATOM 179 CB PHE A 12 -2.706 3.484 -2.651 1.00 0.46 C ATOM 180 CG PHE A 12 -2.745 2.231 -3.479 1.00 0.76 C ATOM 181 CD1 PHE A 12 -1.619 1.793 -4.150 1.00 1.24 C ATOM 182 CD2 PHE A 12 -3.914 1.495 -3.587 1.00 0.98 C ATOM 183 CE1 PHE A 12 -1.655 0.643 -4.913 1.00 1.61 C ATOM 184 CE2 PHE A 12 -3.956 0.345 -4.351 1.00 1.38 C ATOM 185 CZ PHE A 12 -2.806 -0.088 -5.005 1.00 1.61 C ATOM 0 H PHE A 12 -2.503 5.777 -1.685 1.00 0.32 H new ATOM 0 HA PHE A 12 -2.060 4.694 -4.290 1.00 0.38 H new ATOM 0 HB2 PHE A 12 -1.784 3.500 -2.071 1.00 0.46 H new ATOM 0 HB3 PHE A 12 -3.531 3.467 -1.938 1.00 0.46 H new ATOM 0 HD1 PHE A 12 -0.701 2.357 -4.077 1.00 1.24 H new ATOM 0 HD2 PHE A 12 -4.802 1.824 -3.068 1.00 0.98 H new ATOM 0 HE1 PHE A 12 -0.769 0.320 -5.440 1.00 1.61 H new ATOM 0 HE2 PHE A 12 -4.875 -0.215 -4.440 1.00 1.38 H new ATOM 0 HZ PHE A 12 -2.823 -1.000 -5.584 1.00 1.61 H new ATOM 195 N LEU A 13 -5.167 5.305 -3.299 1.00 0.28 N ATOM 196 CA LEU A 13 -6.517 5.475 -3.824 1.00 0.28 C ATOM 197 C LEU A 13 -6.497 6.447 -4.999 1.00 0.30 C ATOM 198 O LEU A 13 -7.088 6.182 -6.045 1.00 0.34 O ATOM 199 CB LEU A 13 -7.501 5.951 -2.742 1.00 0.25 C ATOM 200 CG LEU A 13 -8.092 4.841 -1.861 1.00 0.26 C ATOM 201 CD1 LEU A 13 -7.165 4.469 -0.730 1.00 0.26 C ATOM 202 CD2 LEU A 13 -9.451 5.242 -1.314 1.00 0.27 C ATOM 0 H LEU A 13 -5.056 5.537 -2.312 1.00 0.28 H new ATOM 0 HA LEU A 13 -6.867 4.502 -4.167 1.00 0.28 H new ATOM 0 HB2 LEU A 13 -6.991 6.669 -2.100 1.00 0.25 H new ATOM 0 HB3 LEU A 13 -8.320 6.483 -3.227 1.00 0.25 H new ATOM 0 HG LEU A 13 -8.216 3.964 -2.496 1.00 0.26 H new ATOM 0 HD11 LEU A 13 -7.620 3.681 -0.131 1.00 0.26 H new ATOM 0 HD12 LEU A 13 -6.218 4.114 -1.137 1.00 0.26 H new ATOM 0 HD13 LEU A 13 -6.986 5.343 -0.104 1.00 0.26 H new ATOM 0 HD21 LEU A 13 -9.846 4.437 -0.694 1.00 0.27 H new ATOM 0 HD22 LEU A 13 -9.349 6.146 -0.714 1.00 0.27 H new ATOM 0 HD23 LEU A 13 -10.135 5.431 -2.141 1.00 0.27 H new ATOM 214 N SER A 14 -5.763 7.542 -4.832 1.00 0.29 N ATOM 215 CA SER A 14 -5.603 8.539 -5.889 1.00 0.33 C ATOM 216 C SER A 14 -4.999 7.905 -7.142 1.00 0.37 C ATOM 217 O SER A 14 -5.416 8.182 -8.268 1.00 0.42 O ATOM 218 CB SER A 14 -4.691 9.671 -5.407 1.00 0.33 C ATOM 219 OG SER A 14 -5.129 10.202 -4.166 1.00 1.05 O ATOM 0 H SER A 14 -5.266 7.764 -3.969 1.00 0.29 H new ATOM 0 HA SER A 14 -6.587 8.939 -6.133 1.00 0.33 H new ATOM 0 HB2 SER A 14 -3.671 9.299 -5.305 1.00 0.33 H new ATOM 0 HB3 SER A 14 -4.668 10.464 -6.155 1.00 0.33 H new ATOM 0 HG SER A 14 -4.915 9.572 -3.447 1.00 1.05 H new ATOM 225 N TYR A 15 -4.032 7.026 -6.922 1.00 0.37 N ATOM 226 CA TYR A 15 -3.275 6.408 -8.002 1.00 0.45 C ATOM 227 C TYR A 15 -4.114 5.362 -8.738 1.00 0.43 C ATOM 228 O TYR A 15 -3.793 4.973 -9.861 1.00 0.55 O ATOM 229 CB TYR A 15 -2.008 5.771 -7.422 1.00 0.52 C ATOM 230 CG TYR A 15 -0.924 5.474 -8.436 1.00 0.67 C ATOM 231 CD1 TYR A 15 -0.267 6.504 -9.098 1.00 0.72 C ATOM 232 CD2 TYR A 15 -0.544 4.168 -8.716 1.00 0.89 C ATOM 233 CE1 TYR A 15 0.733 6.241 -10.012 1.00 0.89 C ATOM 234 CE2 TYR A 15 0.459 3.898 -9.626 1.00 1.06 C ATOM 235 CZ TYR A 15 1.095 4.937 -10.271 1.00 1.03 C ATOM 236 OH TYR A 15 2.100 4.671 -11.174 1.00 1.22 O ATOM 0 H TYR A 15 -3.750 6.721 -5.990 1.00 0.37 H new ATOM 0 HA TYR A 15 -3.001 7.174 -8.727 1.00 0.45 H new ATOM 0 HB2 TYR A 15 -1.601 6.435 -6.660 1.00 0.52 H new ATOM 0 HB3 TYR A 15 -2.282 4.842 -6.922 1.00 0.52 H new ATOM 0 HD1 TYR A 15 -0.544 7.528 -8.894 1.00 0.72 H new ATOM 0 HD2 TYR A 15 -1.041 3.351 -8.214 1.00 0.89 H new ATOM 0 HE1 TYR A 15 1.229 7.053 -10.522 1.00 0.89 H new ATOM 0 HE2 TYR A 15 0.744 2.877 -9.832 1.00 1.06 H new ATOM 0 HH TYR A 15 2.232 3.702 -11.240 1.00 1.22 H new ATOM 246 N LYS A 16 -5.193 4.909 -8.107 1.00 0.33 N ATOM 247 CA LYS A 16 -6.048 3.884 -8.702 1.00 0.33 C ATOM 248 C LYS A 16 -7.111 4.521 -9.555 1.00 0.33 C ATOM 249 O LYS A 16 -7.348 4.121 -10.681 1.00 0.42 O ATOM 250 CB LYS A 16 -6.705 3.027 -7.624 1.00 0.34 C ATOM 251 CG LYS A 16 -5.733 2.213 -6.786 1.00 0.61 C ATOM 252 CD LYS A 16 -4.854 1.304 -7.637 1.00 0.57 C ATOM 253 CE LYS A 16 -3.611 2.027 -8.132 1.00 1.18 C ATOM 254 NZ LYS A 16 -2.642 1.110 -8.784 1.00 1.41 N ATOM 0 H LYS A 16 -5.496 5.233 -7.188 1.00 0.33 H new ATOM 0 HA LYS A 16 -5.421 3.244 -9.323 1.00 0.33 H new ATOM 0 HB2 LYS A 16 -7.280 3.675 -6.963 1.00 0.34 H new ATOM 0 HB3 LYS A 16 -7.413 2.348 -8.099 1.00 0.34 H new ATOM 0 HG2 LYS A 16 -5.101 2.888 -6.208 1.00 0.61 H new ATOM 0 HG3 LYS A 16 -6.291 1.609 -6.071 1.00 0.61 H new ATOM 0 HD2 LYS A 16 -4.560 0.432 -7.053 1.00 0.57 H new ATOM 0 HD3 LYS A 16 -5.426 0.938 -8.490 1.00 0.57 H new ATOM 0 HE2 LYS A 16 -3.903 2.804 -8.839 1.00 1.18 H new ATOM 0 HE3 LYS A 16 -3.126 2.526 -7.293 1.00 1.18 H new ATOM 0 HZ1 LYS A 16 -1.977 1.662 -9.363 1.00 1.41 H new ATOM 0 HZ2 LYS A 16 -2.115 0.587 -8.056 1.00 1.41 H new ATOM 0 HZ3 LYS A 16 -3.154 0.438 -9.391 1.00 1.41 H new ATOM 268 N LEU A 17 -7.745 5.511 -9.003 1.00 0.33 N ATOM 269 CA LEU A 17 -8.758 6.263 -9.710 1.00 0.32 C ATOM 270 C LEU A 17 -8.203 6.870 -10.995 1.00 0.35 C ATOM 271 O LEU A 17 -8.919 7.011 -11.984 1.00 0.36 O ATOM 272 CB LEU A 17 -9.279 7.316 -8.760 1.00 0.35 C ATOM 273 CG LEU A 17 -9.808 6.696 -7.479 1.00 0.53 C ATOM 274 CD1 LEU A 17 -9.807 7.686 -6.345 1.00 1.35 C ATOM 275 CD2 LEU A 17 -11.187 6.126 -7.715 1.00 1.15 C ATOM 0 H LEU A 17 -7.580 5.827 -8.047 1.00 0.33 H new ATOM 0 HA LEU A 17 -9.574 5.611 -10.022 1.00 0.32 H new ATOM 0 HB2 LEU A 17 -8.481 8.020 -8.523 1.00 0.35 H new ATOM 0 HB3 LEU A 17 -10.072 7.885 -9.245 1.00 0.35 H new ATOM 0 HG LEU A 17 -9.143 5.883 -7.188 1.00 0.53 H new ATOM 0 HD11 LEU A 17 -10.192 7.208 -5.444 1.00 1.35 H new ATOM 0 HD12 LEU A 17 -8.789 8.032 -6.165 1.00 1.35 H new ATOM 0 HD13 LEU A 17 -10.439 8.536 -6.603 1.00 1.35 H new ATOM 0 HD21 LEU A 17 -11.560 5.683 -6.792 1.00 1.15 H new ATOM 0 HD22 LEU A 17 -11.860 6.922 -8.034 1.00 1.15 H new ATOM 0 HD23 LEU A 17 -11.137 5.361 -8.490 1.00 1.15 H new ATOM 287 N SER A 18 -6.916 7.193 -10.980 1.00 0.41 N ATOM 288 CA SER A 18 -6.239 7.732 -12.156 1.00 0.48 C ATOM 289 C SER A 18 -6.356 6.779 -13.357 1.00 0.51 C ATOM 290 O SER A 18 -6.727 7.203 -14.451 1.00 0.58 O ATOM 291 CB SER A 18 -4.767 8.008 -11.832 1.00 0.57 C ATOM 292 OG SER A 18 -4.133 8.751 -12.864 1.00 0.94 O ATOM 0 H SER A 18 -6.316 7.091 -10.162 1.00 0.41 H new ATOM 0 HA SER A 18 -6.726 8.668 -12.429 1.00 0.48 H new ATOM 0 HB2 SER A 18 -4.698 8.557 -10.893 1.00 0.57 H new ATOM 0 HB3 SER A 18 -4.242 7.063 -11.689 1.00 0.57 H new ATOM 0 HG SER A 18 -3.196 8.911 -12.624 1.00 0.94 H new ATOM 298 N GLN A 19 -6.080 5.489 -13.145 1.00 0.52 N ATOM 299 CA GLN A 19 -6.118 4.498 -14.231 1.00 0.57 C ATOM 300 C GLN A 19 -7.548 4.155 -14.637 1.00 0.51 C ATOM 301 O GLN A 19 -7.774 3.320 -15.512 1.00 0.59 O ATOM 302 CB GLN A 19 -5.369 3.224 -13.834 1.00 0.68 C ATOM 303 CG GLN A 19 -5.719 2.742 -12.447 1.00 0.84 C ATOM 304 CD GLN A 19 -5.102 1.408 -12.087 1.00 0.97 C ATOM 305 OE1 GLN A 19 -3.980 1.340 -11.581 1.00 1.37 O ATOM 306 NE2 GLN A 19 -5.850 0.340 -12.313 1.00 1.19 N ATOM 0 H GLN A 19 -5.828 5.104 -12.234 1.00 0.52 H new ATOM 0 HA GLN A 19 -5.622 4.949 -15.091 1.00 0.57 H new ATOM 0 HB2 GLN A 19 -5.595 2.437 -14.554 1.00 0.68 H new ATOM 0 HB3 GLN A 19 -4.296 3.408 -13.889 1.00 0.68 H new ATOM 0 HG2 GLN A 19 -5.396 3.488 -11.721 1.00 0.84 H new ATOM 0 HG3 GLN A 19 -6.803 2.664 -12.363 1.00 0.84 H new ATOM 0 HE21 GLN A 19 -6.773 0.444 -12.734 1.00 1.19 H new ATOM 0 HE22 GLN A 19 -5.503 -0.587 -12.066 1.00 1.19 H new ATOM 315 N LYS A 20 -8.505 4.799 -13.995 1.00 0.45 N ATOM 316 CA LYS A 20 -9.917 4.599 -14.303 1.00 0.49 C ATOM 317 C LYS A 20 -10.464 5.847 -14.957 1.00 0.48 C ATOM 318 O LYS A 20 -11.423 5.812 -15.725 1.00 0.53 O ATOM 319 CB LYS A 20 -10.698 4.314 -13.028 1.00 0.57 C ATOM 320 CG LYS A 20 -9.910 3.527 -12.003 1.00 0.49 C ATOM 321 CD LYS A 20 -9.547 2.136 -12.490 1.00 1.20 C ATOM 322 CE LYS A 20 -10.780 1.370 -12.949 1.00 1.75 C ATOM 323 NZ LYS A 20 -10.510 -0.082 -13.120 1.00 2.20 N ATOM 0 H LYS A 20 -8.332 5.473 -13.249 1.00 0.45 H new ATOM 0 HA LYS A 20 -10.019 3.749 -14.978 1.00 0.49 H new ATOM 0 HB2 LYS A 20 -11.014 5.259 -12.585 1.00 0.57 H new ATOM 0 HB3 LYS A 20 -11.603 3.762 -13.281 1.00 0.57 H new ATOM 0 HG2 LYS A 20 -8.998 4.071 -11.755 1.00 0.49 H new ATOM 0 HG3 LYS A 20 -10.493 3.446 -11.085 1.00 0.49 H new ATOM 0 HD2 LYS A 20 -8.836 2.211 -13.313 1.00 1.20 H new ATOM 0 HD3 LYS A 20 -9.052 1.586 -11.690 1.00 1.20 H new ATOM 0 HE2 LYS A 20 -11.581 1.505 -12.222 1.00 1.75 H new ATOM 0 HE3 LYS A 20 -11.133 1.785 -13.893 1.00 1.75 H new ATOM 0 HZ1 LYS A 20 -11.378 -0.562 -13.433 1.00 2.20 H new ATOM 0 HZ2 LYS A 20 -9.764 -0.215 -13.833 1.00 2.20 H new ATOM 0 HZ3 LYS A 20 -10.199 -0.486 -12.214 1.00 2.20 H new ATOM 337 N GLY A 21 -9.828 6.947 -14.625 1.00 0.45 N ATOM 338 CA GLY A 21 -10.201 8.228 -15.176 1.00 0.49 C ATOM 339 C GLY A 21 -10.994 9.055 -14.193 1.00 0.47 C ATOM 340 O GLY A 21 -11.798 9.898 -14.582 1.00 0.53 O ATOM 0 H GLY A 21 -9.045 6.979 -13.972 1.00 0.45 H new ATOM 0 HA2 GLY A 21 -9.303 8.773 -15.468 1.00 0.49 H new ATOM 0 HA3 GLY A 21 -10.790 8.076 -16.081 1.00 0.49 H new ATOM 344 N TYR A 22 -10.777 8.794 -12.914 1.00 0.40 N ATOM 345 CA TYR A 22 -11.385 9.588 -11.858 1.00 0.37 C ATOM 346 C TYR A 22 -10.325 10.182 -10.952 1.00 0.36 C ATOM 347 O TYR A 22 -9.158 9.793 -11.006 1.00 0.38 O ATOM 348 CB TYR A 22 -12.349 8.756 -11.018 1.00 0.34 C ATOM 349 CG TYR A 22 -13.612 8.376 -11.750 1.00 0.38 C ATOM 350 CD1 TYR A 22 -14.605 9.318 -11.981 1.00 0.50 C ATOM 351 CD2 TYR A 22 -13.813 7.082 -12.209 1.00 0.50 C ATOM 352 CE1 TYR A 22 -15.761 8.981 -12.649 1.00 0.62 C ATOM 353 CE2 TYR A 22 -14.971 6.738 -12.880 1.00 0.60 C ATOM 354 CZ TYR A 22 -15.941 7.693 -13.096 1.00 0.62 C ATOM 355 OH TYR A 22 -17.095 7.361 -13.762 1.00 0.76 O ATOM 0 H TYR A 22 -10.182 8.035 -12.581 1.00 0.40 H new ATOM 0 HA TYR A 22 -11.942 10.390 -12.342 1.00 0.37 H new ATOM 0 HB2 TYR A 22 -11.842 7.849 -10.690 1.00 0.34 H new ATOM 0 HB3 TYR A 22 -12.613 9.316 -10.121 1.00 0.34 H new ATOM 0 HD1 TYR A 22 -14.469 10.331 -11.631 1.00 0.50 H new ATOM 0 HD2 TYR A 22 -13.054 6.333 -12.039 1.00 0.50 H new ATOM 0 HE1 TYR A 22 -16.524 9.726 -12.821 1.00 0.62 H new ATOM 0 HE2 TYR A 22 -15.115 5.727 -13.233 1.00 0.60 H new ATOM 0 HH TYR A 22 -17.705 6.899 -13.149 1.00 0.76 H new ATOM 365 N SER A 23 -10.736 11.125 -10.125 1.00 0.37 N ATOM 366 CA SER A 23 -9.846 11.734 -9.167 1.00 0.39 C ATOM 367 C SER A 23 -10.229 11.312 -7.762 1.00 0.35 C ATOM 368 O SER A 23 -11.395 11.029 -7.488 1.00 0.34 O ATOM 369 CB SER A 23 -9.923 13.251 -9.273 1.00 0.45 C ATOM 370 OG SER A 23 -8.859 13.872 -8.574 1.00 0.52 O ATOM 0 H SER A 23 -11.690 11.485 -10.102 1.00 0.37 H new ATOM 0 HA SER A 23 -8.828 11.407 -9.380 1.00 0.39 H new ATOM 0 HB2 SER A 23 -9.893 13.546 -10.322 1.00 0.45 H new ATOM 0 HB3 SER A 23 -10.875 13.598 -8.872 1.00 0.45 H new ATOM 0 HG SER A 23 -9.215 14.361 -7.803 1.00 0.52 H new ATOM 376 N TRP A 24 -9.251 11.273 -6.883 1.00 0.37 N ATOM 377 CA TRP A 24 -9.514 11.037 -5.480 1.00 0.36 C ATOM 378 C TRP A 24 -10.153 12.271 -4.862 1.00 0.35 C ATOM 379 O TRP A 24 -11.206 12.190 -4.235 1.00 0.34 O ATOM 380 CB TRP A 24 -8.220 10.684 -4.734 1.00 0.45 C ATOM 381 CG TRP A 24 -8.238 11.113 -3.296 1.00 0.43 C ATOM 382 CD1 TRP A 24 -8.901 10.515 -2.267 1.00 0.96 C ATOM 383 CD2 TRP A 24 -7.573 12.254 -2.739 1.00 1.27 C ATOM 384 NE1 TRP A 24 -8.705 11.224 -1.108 1.00 0.61 N ATOM 385 CE2 TRP A 24 -7.887 12.292 -1.371 1.00 1.10 C ATOM 386 CE3 TRP A 24 -6.744 13.247 -3.267 1.00 2.43 C ATOM 387 CZ2 TRP A 24 -7.405 13.287 -0.524 1.00 2.00 C ATOM 388 CZ3 TRP A 24 -6.264 14.232 -2.426 1.00 3.36 C ATOM 389 CH2 TRP A 24 -6.595 14.245 -1.067 1.00 3.13 C ATOM 0 H TRP A 24 -8.266 11.402 -7.115 1.00 0.37 H new ATOM 0 HA TRP A 24 -10.199 10.194 -5.392 1.00 0.36 H new ATOM 0 HB2 TRP A 24 -8.060 9.607 -4.784 1.00 0.45 H new ATOM 0 HB3 TRP A 24 -7.376 11.155 -5.238 1.00 0.45 H new ATOM 0 HD1 TRP A 24 -9.493 9.616 -2.351 1.00 0.96 H new ATOM 0 HE1 TRP A 24 -9.104 10.993 -0.198 1.00 0.61 H new ATOM 0 HE3 TRP A 24 -6.483 13.244 -4.315 1.00 2.43 H new ATOM 0 HZ2 TRP A 24 -7.662 13.301 0.525 1.00 2.00 H new ATOM 0 HZ3 TRP A 24 -5.623 15.005 -2.824 1.00 3.36 H new ATOM 0 HH2 TRP A 24 -6.203 15.027 -0.434 1.00 3.13 H new ATOM 400 N SER A 25 -9.519 13.417 -5.079 1.00 0.39 N ATOM 401 CA SER A 25 -9.896 14.648 -4.411 1.00 0.44 C ATOM 402 C SER A 25 -11.322 15.060 -4.757 1.00 0.43 C ATOM 403 O SER A 25 -12.079 15.482 -3.879 1.00 0.49 O ATOM 404 CB SER A 25 -8.904 15.751 -4.778 1.00 0.53 C ATOM 405 OG SER A 25 -8.477 15.614 -6.125 1.00 1.37 O ATOM 0 H SER A 25 -8.733 13.515 -5.721 1.00 0.39 H new ATOM 0 HA SER A 25 -9.865 14.482 -3.334 1.00 0.44 H new ATOM 0 HB2 SER A 25 -9.369 16.727 -4.636 1.00 0.53 H new ATOM 0 HB3 SER A 25 -8.042 15.708 -4.112 1.00 0.53 H new ATOM 0 HG SER A 25 -7.844 16.330 -6.342 1.00 1.37 H new ATOM 411 N GLN A 26 -11.697 14.901 -6.025 1.00 0.40 N ATOM 412 CA GLN A 26 -13.042 15.253 -6.476 1.00 0.42 C ATOM 413 C GLN A 26 -14.108 14.529 -5.660 1.00 0.38 C ATOM 414 O GLN A 26 -15.201 15.046 -5.443 1.00 0.41 O ATOM 415 CB GLN A 26 -13.222 14.918 -7.951 1.00 0.47 C ATOM 416 CG GLN A 26 -12.345 15.745 -8.864 1.00 0.59 C ATOM 417 CD GLN A 26 -12.580 15.442 -10.327 1.00 0.73 C ATOM 418 OE1 GLN A 26 -12.939 14.322 -10.691 1.00 1.11 O ATOM 419 NE2 GLN A 26 -12.379 16.433 -11.175 1.00 1.10 N ATOM 0 H GLN A 26 -11.090 14.532 -6.757 1.00 0.40 H new ATOM 0 HA GLN A 26 -13.160 16.327 -6.333 1.00 0.42 H new ATOM 0 HB2 GLN A 26 -13.002 13.862 -8.106 1.00 0.47 H new ATOM 0 HB3 GLN A 26 -14.266 15.070 -8.226 1.00 0.47 H new ATOM 0 HG2 GLN A 26 -12.532 16.803 -8.681 1.00 0.59 H new ATOM 0 HG3 GLN A 26 -11.298 15.560 -8.622 1.00 0.59 H new ATOM 0 HE21 GLN A 26 -12.082 17.346 -10.831 1.00 1.10 H new ATOM 0 HE22 GLN A 26 -12.521 16.286 -12.174 1.00 1.10 H new ATOM 428 N PHE A 27 -13.772 13.337 -5.198 1.00 0.35 N ATOM 429 CA PHE A 27 -14.713 12.501 -4.476 1.00 0.38 C ATOM 430 C PHE A 27 -14.282 12.315 -3.025 1.00 0.43 C ATOM 431 O PHE A 27 -14.779 11.427 -2.331 1.00 0.67 O ATOM 432 CB PHE A 27 -14.819 11.146 -5.173 1.00 0.43 C ATOM 433 CG PHE A 27 -15.325 11.251 -6.585 1.00 0.67 C ATOM 434 CD1 PHE A 27 -16.620 11.672 -6.840 1.00 0.85 C ATOM 435 CD2 PHE A 27 -14.502 10.944 -7.654 1.00 0.94 C ATOM 436 CE1 PHE A 27 -17.084 11.780 -8.137 1.00 1.16 C ATOM 437 CE2 PHE A 27 -14.959 11.051 -8.952 1.00 1.20 C ATOM 438 CZ PHE A 27 -16.252 11.469 -9.195 1.00 1.28 C ATOM 0 H PHE A 27 -12.846 12.924 -5.312 1.00 0.35 H new ATOM 0 HA PHE A 27 -15.687 12.990 -4.473 1.00 0.38 H new ATOM 0 HB2 PHE A 27 -13.839 10.668 -5.178 1.00 0.43 H new ATOM 0 HB3 PHE A 27 -15.485 10.500 -4.601 1.00 0.43 H new ATOM 0 HD1 PHE A 27 -17.274 11.918 -6.016 1.00 0.85 H new ATOM 0 HD2 PHE A 27 -13.489 10.617 -7.470 1.00 0.94 H new ATOM 0 HE1 PHE A 27 -18.096 12.107 -8.323 1.00 1.16 H new ATOM 0 HE2 PHE A 27 -14.306 10.808 -9.777 1.00 1.20 H new ATOM 0 HZ PHE A 27 -16.612 11.553 -10.210 1.00 1.28 H new ATOM 448 N SER A 28 -13.368 13.161 -2.566 1.00 0.39 N ATOM 449 CA SER A 28 -12.822 13.019 -1.227 1.00 0.42 C ATOM 450 C SER A 28 -13.450 13.989 -0.241 1.00 0.58 C ATOM 451 O SER A 28 -14.337 14.772 -0.579 1.00 1.01 O ATOM 452 CB SER A 28 -11.306 13.199 -1.229 1.00 0.62 C ATOM 453 OG SER A 28 -10.938 14.552 -1.448 1.00 1.81 O ATOM 0 H SER A 28 -12.993 13.946 -3.098 1.00 0.39 H new ATOM 0 HA SER A 28 -13.064 12.007 -0.903 1.00 0.42 H new ATOM 0 HB2 SER A 28 -10.898 12.861 -0.276 1.00 0.62 H new ATOM 0 HB3 SER A 28 -10.866 12.572 -2.005 1.00 0.62 H new ATOM 0 HG SER A 28 -11.421 14.901 -2.226 1.00 1.81 H new ATOM 459 N ASP A 29 -12.971 13.891 0.986 1.00 0.63 N ATOM 460 CA ASP A 29 -13.417 14.708 2.102 1.00 0.84 C ATOM 461 C ASP A 29 -12.384 14.594 3.216 1.00 0.88 C ATOM 462 O ASP A 29 -12.212 15.495 4.037 1.00 1.03 O ATOM 463 CB ASP A 29 -14.789 14.220 2.579 1.00 1.04 C ATOM 464 CG ASP A 29 -15.246 14.859 3.877 1.00 1.69 C ATOM 465 OD1 ASP A 29 -14.931 14.318 4.958 1.00 2.31 O ATOM 466 OD2 ASP A 29 -15.945 15.889 3.825 1.00 1.85 O ATOM 0 H ASP A 29 -12.242 13.224 1.241 1.00 0.63 H new ATOM 0 HA ASP A 29 -13.515 15.751 1.802 1.00 0.84 H new ATOM 0 HB2 ASP A 29 -15.527 14.425 1.804 1.00 1.04 H new ATOM 0 HB3 ASP A 29 -14.755 13.138 2.709 1.00 1.04 H new ATOM 471 N VAL A 30 -11.664 13.478 3.170 1.00 0.80 N ATOM 472 CA VAL A 30 -10.654 13.112 4.158 1.00 0.82 C ATOM 473 C VAL A 30 -9.543 14.164 4.294 1.00 0.82 C ATOM 474 O VAL A 30 -9.500 14.899 5.275 1.00 0.92 O ATOM 475 CB VAL A 30 -10.055 11.740 3.769 1.00 0.81 C ATOM 476 CG1 VAL A 30 -11.060 10.639 4.040 1.00 0.89 C ATOM 477 CG2 VAL A 30 -9.667 11.716 2.293 1.00 0.76 C ATOM 0 H VAL A 30 -11.769 12.786 2.428 1.00 0.80 H new ATOM 0 HA VAL A 30 -11.139 13.056 5.132 1.00 0.82 H new ATOM 0 HB VAL A 30 -9.161 11.578 4.371 1.00 0.81 H new ATOM 0 HG11 VAL A 30 -10.629 9.677 3.763 1.00 0.89 H new ATOM 0 HG12 VAL A 30 -11.314 10.631 5.100 1.00 0.89 H new ATOM 0 HG13 VAL A 30 -11.961 10.816 3.452 1.00 0.89 H new ATOM 0 HG21 VAL A 30 -9.248 10.741 2.043 1.00 0.76 H new ATOM 0 HG22 VAL A 30 -10.551 11.899 1.682 1.00 0.76 H new ATOM 0 HG23 VAL A 30 -8.925 12.490 2.099 1.00 0.76 H new ATOM 487 N GLU A 31 -8.664 14.249 3.301 1.00 0.78 N ATOM 488 CA GLU A 31 -7.598 15.241 3.302 1.00 0.83 C ATOM 489 C GLU A 31 -8.133 16.525 2.695 1.00 0.88 C ATOM 490 O GLU A 31 -7.424 17.520 2.558 1.00 0.98 O ATOM 491 CB GLU A 31 -6.394 14.745 2.496 1.00 0.93 C ATOM 492 CG GLU A 31 -5.888 13.368 2.906 1.00 1.05 C ATOM 493 CD GLU A 31 -5.406 13.317 4.340 1.00 2.05 C ATOM 494 OE1 GLU A 31 -4.253 13.719 4.596 1.00 2.46 O ATOM 495 OE2 GLU A 31 -6.178 12.878 5.217 1.00 2.74 O ATOM 0 H GLU A 31 -8.670 13.640 2.483 1.00 0.78 H new ATOM 0 HA GLU A 31 -7.268 15.417 4.326 1.00 0.83 H new ATOM 0 HB2 GLU A 31 -6.664 14.720 1.440 1.00 0.93 H new ATOM 0 HB3 GLU A 31 -5.581 15.464 2.600 1.00 0.93 H new ATOM 0 HG2 GLU A 31 -6.687 12.639 2.771 1.00 1.05 H new ATOM 0 HG3 GLU A 31 -5.073 13.075 2.244 1.00 1.05 H new ATOM 502 N GLU A 32 -9.398 16.469 2.311 1.00 0.87 N ATOM 503 CA GLU A 32 -10.082 17.606 1.740 1.00 0.98 C ATOM 504 C GLU A 32 -10.386 18.633 2.821 1.00 1.09 C ATOM 505 O GLU A 32 -9.955 19.783 2.744 1.00 1.24 O ATOM 506 CB GLU A 32 -11.382 17.159 1.070 1.00 0.98 C ATOM 507 CG GLU A 32 -12.264 18.324 0.651 1.00 1.12 C ATOM 508 CD GLU A 32 -13.474 17.906 -0.153 1.00 1.20 C ATOM 509 OE1 GLU A 32 -13.325 17.653 -1.365 1.00 1.45 O ATOM 510 OE2 GLU A 32 -14.583 17.856 0.420 1.00 1.17 O ATOM 0 H GLU A 32 -9.975 15.632 2.389 1.00 0.87 H new ATOM 0 HA GLU A 32 -9.435 18.060 0.990 1.00 0.98 H new ATOM 0 HB2 GLU A 32 -11.144 16.557 0.193 1.00 0.98 H new ATOM 0 HB3 GLU A 32 -11.937 16.519 1.756 1.00 0.98 H new ATOM 0 HG2 GLU A 32 -12.596 18.857 1.542 1.00 1.12 H new ATOM 0 HG3 GLU A 32 -11.671 19.025 0.063 1.00 1.12 H new ATOM 517 N ASN A 33 -11.123 18.201 3.833 1.00 1.09 N ATOM 518 CA ASN A 33 -11.560 19.096 4.891 1.00 1.27 C ATOM 519 C ASN A 33 -10.458 19.293 5.923 1.00 1.32 C ATOM 520 O ASN A 33 -10.100 20.427 6.253 1.00 1.68 O ATOM 521 CB ASN A 33 -12.824 18.554 5.563 1.00 1.36 C ATOM 522 CG ASN A 33 -14.077 18.712 4.716 1.00 1.48 C ATOM 523 OD1 ASN A 33 -13.933 18.623 3.403 1.00 1.87 O flip ATOM 524 ND2 ASN A 33 -15.171 18.907 5.243 1.00 1.35 N flip ATOM 0 H ASN A 33 -11.431 17.235 3.943 1.00 1.09 H new ATOM 0 HA ASN A 33 -11.789 20.063 4.444 1.00 1.27 H new ATOM 0 HB2 ASN A 33 -12.680 17.498 5.791 1.00 1.36 H new ATOM 0 HB3 ASN A 33 -12.970 19.068 6.513 1.00 1.36 H new ATOM 0 HD21 ASN A 33 -15.244 18.970 6.258 1.00 1.35 H new ATOM 0 HD22 ASN A 33 -16.005 19.006 4.665 1.00 1.35 H new ATOM 531 N ARG A 34 -9.909 18.193 6.423 1.00 1.22 N ATOM 532 CA ARG A 34 -8.843 18.270 7.409 1.00 1.29 C ATOM 533 C ARG A 34 -7.497 17.997 6.757 1.00 1.17 C ATOM 534 O ARG A 34 -7.385 17.182 5.842 1.00 1.24 O ATOM 535 CB ARG A 34 -9.073 17.287 8.561 1.00 1.50 C ATOM 536 CG ARG A 34 -9.009 15.824 8.151 1.00 1.52 C ATOM 537 CD ARG A 34 -9.251 14.895 9.328 1.00 1.91 C ATOM 538 NE ARG A 34 -10.612 15.011 9.844 1.00 2.18 N ATOM 539 CZ ARG A 34 -11.212 14.081 10.584 1.00 2.65 C ATOM 540 NH1 ARG A 34 -10.566 12.971 10.922 1.00 2.89 N ATOM 541 NH2 ARG A 34 -12.458 14.269 10.996 1.00 3.39 N ATOM 0 H ARG A 34 -10.183 17.245 6.164 1.00 1.22 H new ATOM 0 HA ARG A 34 -8.845 19.280 7.819 1.00 1.29 H new ATOM 0 HB2 ARG A 34 -8.327 17.469 9.334 1.00 1.50 H new ATOM 0 HB3 ARG A 34 -10.048 17.486 9.005 1.00 1.50 H new ATOM 0 HG2 ARG A 34 -9.752 15.631 7.377 1.00 1.52 H new ATOM 0 HG3 ARG A 34 -8.033 15.611 7.715 1.00 1.52 H new ATOM 0 HD2 ARG A 34 -9.066 13.865 9.022 1.00 1.91 H new ATOM 0 HD3 ARG A 34 -8.541 15.124 10.123 1.00 1.91 H new ATOM 0 HE ARG A 34 -11.136 15.858 9.624 1.00 2.18 H new ATOM 0 HH11 ARG A 34 -9.604 12.827 10.614 1.00 2.89 H new ATOM 0 HH12 ARG A 34 -11.032 12.263 11.489 1.00 2.89 H new ATOM 0 HH21 ARG A 34 -12.954 15.124 10.746 1.00 3.39 H new ATOM 0 HH22 ARG A 34 -12.920 13.558 11.563 1.00 3.39 H new ATOM 555 N THR A 35 -6.484 18.687 7.233 1.00 1.31 N ATOM 556 CA THR A 35 -5.137 18.522 6.724 1.00 1.39 C ATOM 557 C THR A 35 -4.170 18.309 7.876 1.00 1.34 C ATOM 558 O THR A 35 -3.923 19.212 8.675 1.00 1.55 O ATOM 559 CB THR A 35 -4.700 19.740 5.889 1.00 1.82 C ATOM 560 OG1 THR A 35 -5.033 20.959 6.569 1.00 2.05 O ATOM 561 CG2 THR A 35 -5.356 19.725 4.518 1.00 2.25 C ATOM 0 H THR A 35 -6.568 19.376 7.981 1.00 1.31 H new ATOM 0 HA THR A 35 -5.127 17.647 6.074 1.00 1.39 H new ATOM 0 HB THR A 35 -3.619 19.684 5.759 1.00 1.82 H new ATOM 0 HG1 THR A 35 -4.807 20.876 7.519 1.00 2.05 H new ATOM 0 HG21 THR A 35 -5.030 20.596 3.949 1.00 2.25 H new ATOM 0 HG22 THR A 35 -5.069 18.817 3.987 1.00 2.25 H new ATOM 0 HG23 THR A 35 -6.440 19.751 4.633 1.00 2.25 H new ATOM 569 N GLU A 36 -3.644 17.103 7.966 1.00 1.44 N ATOM 570 CA GLU A 36 -2.818 16.712 9.095 1.00 1.68 C ATOM 571 C GLU A 36 -1.444 16.257 8.634 1.00 1.43 C ATOM 572 O GLU A 36 -0.432 16.901 8.921 1.00 1.46 O ATOM 573 CB GLU A 36 -3.499 15.589 9.872 1.00 2.17 C ATOM 574 CG GLU A 36 -4.827 15.992 10.490 1.00 2.49 C ATOM 575 CD GLU A 36 -5.436 14.883 11.320 1.00 2.96 C ATOM 576 OE1 GLU A 36 -5.067 14.741 12.503 1.00 3.30 O ATOM 577 OE2 GLU A 36 -6.299 14.149 10.794 1.00 3.34 O ATOM 0 H GLU A 36 -3.774 16.372 7.267 1.00 1.44 H new ATOM 0 HA GLU A 36 -2.693 17.580 9.742 1.00 1.68 H new ATOM 0 HB2 GLU A 36 -3.661 14.743 9.204 1.00 2.17 H new ATOM 0 HB3 GLU A 36 -2.830 15.248 10.662 1.00 2.17 H new ATOM 0 HG2 GLU A 36 -4.681 16.873 11.116 1.00 2.49 H new ATOM 0 HG3 GLU A 36 -5.522 16.274 9.699 1.00 2.49 H new ATOM 584 N ALA A 37 -1.415 15.134 7.938 1.00 1.50 N ATOM 585 CA ALA A 37 -0.172 14.589 7.415 1.00 1.39 C ATOM 586 C ALA A 37 0.464 15.527 6.397 1.00 1.27 C ATOM 587 O ALA A 37 -0.229 16.112 5.562 1.00 1.58 O ATOM 588 CB ALA A 37 -0.414 13.233 6.782 1.00 1.92 C ATOM 0 H ALA A 37 -2.242 14.578 7.720 1.00 1.50 H new ATOM 0 HA ALA A 37 0.516 14.478 8.253 1.00 1.39 H new ATOM 0 HB1 ALA A 37 0.526 12.839 6.396 1.00 1.92 H new ATOM 0 HB2 ALA A 37 -0.814 12.549 7.530 1.00 1.92 H new ATOM 0 HB3 ALA A 37 -1.128 13.335 5.965 1.00 1.92 H new ATOM 594 N PRO A 38 1.793 15.694 6.484 1.00 1.10 N ATOM 595 CA PRO A 38 2.580 16.447 5.498 1.00 1.43 C ATOM 596 C PRO A 38 2.439 15.869 4.090 1.00 1.79 C ATOM 597 O PRO A 38 1.701 14.910 3.872 1.00 1.87 O ATOM 598 CB PRO A 38 4.026 16.297 6.011 1.00 1.34 C ATOM 599 CG PRO A 38 3.876 16.005 7.458 1.00 1.26 C ATOM 600 CD PRO A 38 2.631 15.183 7.577 1.00 1.01 C ATOM 0 HA PRO A 38 2.255 17.484 5.411 1.00 1.43 H new ATOM 0 HB2 PRO A 38 4.549 15.492 5.495 1.00 1.34 H new ATOM 0 HB3 PRO A 38 4.602 17.208 5.847 1.00 1.34 H new ATOM 0 HG2 PRO A 38 4.741 15.463 7.840 1.00 1.26 H new ATOM 0 HG3 PRO A 38 3.795 16.925 8.037 1.00 1.26 H new ATOM 0 HD2 PRO A 38 2.838 14.119 7.464 1.00 1.01 H new ATOM 0 HD3 PRO A 38 2.152 15.313 8.548 1.00 1.01 H new ATOM 608 N GLU A 39 3.141 16.452 3.129 1.00 2.28 N ATOM 609 CA GLU A 39 3.097 15.951 1.761 1.00 2.76 C ATOM 610 C GLU A 39 3.899 14.658 1.643 1.00 2.66 C ATOM 611 O GLU A 39 3.827 13.952 0.637 1.00 3.08 O ATOM 612 CB GLU A 39 3.625 16.999 0.780 1.00 3.38 C ATOM 613 CG GLU A 39 5.039 17.464 1.073 1.00 3.52 C ATOM 614 CD GLU A 39 5.509 18.517 0.096 1.00 4.22 C ATOM 615 OE1 GLU A 39 4.957 19.636 0.115 1.00 4.44 O ATOM 616 OE2 GLU A 39 6.426 18.229 -0.704 1.00 4.64 O ATOM 0 H GLU A 39 3.742 17.264 3.268 1.00 2.28 H new ATOM 0 HA GLU A 39 2.058 15.741 1.507 1.00 2.76 H new ATOM 0 HB2 GLU A 39 3.591 16.587 -0.229 1.00 3.38 H new ATOM 0 HB3 GLU A 39 2.960 17.862 0.794 1.00 3.38 H new ATOM 0 HG2 GLU A 39 5.085 17.864 2.086 1.00 3.52 H new ATOM 0 HG3 GLU A 39 5.715 16.610 1.037 1.00 3.52 H new ATOM 623 N GLY A 40 4.657 14.360 2.683 1.00 2.15 N ATOM 624 CA GLY A 40 5.439 13.148 2.716 1.00 2.04 C ATOM 625 C GLY A 40 6.546 13.244 3.733 1.00 1.57 C ATOM 626 O GLY A 40 7.717 13.336 3.370 1.00 1.75 O ATOM 0 H GLY A 40 4.744 14.945 3.514 1.00 2.15 H new ATOM 0 HA2 GLY A 40 4.794 12.302 2.954 1.00 2.04 H new ATOM 0 HA3 GLY A 40 5.863 12.958 1.730 1.00 2.04 H new ATOM 630 N THR A 41 6.183 13.220 5.011 1.00 1.12 N ATOM 631 CA THR A 41 7.159 13.434 6.065 1.00 0.86 C ATOM 632 C THR A 41 8.091 12.216 6.195 1.00 0.75 C ATOM 633 O THR A 41 9.247 12.266 5.774 1.00 0.85 O ATOM 634 CB THR A 41 6.462 13.753 7.410 1.00 0.80 C ATOM 635 OG1 THR A 41 7.392 13.685 8.493 1.00 0.95 O ATOM 636 CG2 THR A 41 5.284 12.826 7.673 1.00 0.91 C ATOM 0 H THR A 41 5.230 13.056 5.336 1.00 1.12 H new ATOM 0 HA THR A 41 7.768 14.297 5.797 1.00 0.86 H new ATOM 0 HB THR A 41 6.077 14.770 7.337 1.00 0.80 H new ATOM 0 HG1 THR A 41 6.932 13.892 9.333 1.00 0.95 H new ATOM 0 HG21 THR A 41 4.824 13.084 8.627 1.00 0.91 H new ATOM 0 HG22 THR A 41 4.550 12.935 6.874 1.00 0.91 H new ATOM 0 HG23 THR A 41 5.633 11.794 7.706 1.00 0.91 H new ATOM 644 N GLU A 42 7.589 11.129 6.770 1.00 0.69 N ATOM 645 CA GLU A 42 8.279 9.845 6.730 1.00 0.66 C ATOM 646 C GLU A 42 7.770 9.058 5.543 1.00 0.54 C ATOM 647 O GLU A 42 8.475 8.264 4.925 1.00 0.56 O ATOM 648 CB GLU A 42 8.023 9.057 8.015 1.00 0.74 C ATOM 649 CG GLU A 42 6.589 8.559 8.188 1.00 0.65 C ATOM 650 CD GLU A 42 6.337 8.052 9.593 1.00 1.20 C ATOM 651 OE1 GLU A 42 6.874 6.980 9.954 1.00 2.02 O ATOM 652 OE2 GLU A 42 5.626 8.743 10.356 1.00 1.17 O ATOM 0 H GLU A 42 6.701 11.112 7.272 1.00 0.69 H new ATOM 0 HA GLU A 42 9.352 10.015 6.639 1.00 0.66 H new ATOM 0 HB2 GLU A 42 8.695 8.199 8.038 1.00 0.74 H new ATOM 0 HB3 GLU A 42 8.279 9.686 8.867 1.00 0.74 H new ATOM 0 HG2 GLU A 42 5.893 9.367 7.963 1.00 0.65 H new ATOM 0 HG3 GLU A 42 6.392 7.761 7.472 1.00 0.65 H new ATOM 659 N SER A 43 6.525 9.341 5.244 1.00 0.48 N ATOM 660 CA SER A 43 5.724 8.611 4.290 1.00 0.43 C ATOM 661 C SER A 43 6.299 8.613 2.887 1.00 0.43 C ATOM 662 O SER A 43 6.033 7.701 2.130 1.00 0.49 O ATOM 663 CB SER A 43 4.358 9.252 4.279 1.00 0.50 C ATOM 664 OG SER A 43 4.503 10.658 4.336 1.00 1.25 O ATOM 0 H SER A 43 6.022 10.117 5.675 1.00 0.48 H new ATOM 0 HA SER A 43 5.692 7.565 4.595 1.00 0.43 H new ATOM 0 HB2 SER A 43 3.817 8.967 3.377 1.00 0.50 H new ATOM 0 HB3 SER A 43 3.771 8.900 5.128 1.00 0.50 H new ATOM 0 HG SER A 43 3.854 11.028 4.970 1.00 1.25 H new ATOM 670 N GLU A 44 7.061 9.636 2.543 1.00 0.46 N ATOM 671 CA GLU A 44 7.609 9.778 1.191 1.00 0.52 C ATOM 672 C GLU A 44 8.217 8.465 0.682 1.00 0.51 C ATOM 673 O GLU A 44 7.839 7.971 -0.378 1.00 0.58 O ATOM 674 CB GLU A 44 8.647 10.896 1.167 1.00 0.61 C ATOM 675 CG GLU A 44 9.393 11.025 -0.150 1.00 0.72 C ATOM 676 CD GLU A 44 8.507 11.472 -1.291 1.00 1.17 C ATOM 677 OE1 GLU A 44 7.874 12.543 -1.173 1.00 1.29 O ATOM 678 OE2 GLU A 44 8.444 10.756 -2.314 1.00 1.91 O ATOM 0 H GLU A 44 7.320 10.389 3.180 1.00 0.46 H new ATOM 0 HA GLU A 44 6.789 10.035 0.520 1.00 0.52 H new ATOM 0 HB2 GLU A 44 8.151 11.842 1.385 1.00 0.61 H new ATOM 0 HB3 GLU A 44 9.369 10.723 1.965 1.00 0.61 H new ATOM 0 HG2 GLU A 44 10.209 11.738 -0.030 1.00 0.72 H new ATOM 0 HG3 GLU A 44 9.843 10.065 -0.402 1.00 0.72 H new ATOM 685 N ALA A 45 9.133 7.893 1.449 1.00 0.48 N ATOM 686 CA ALA A 45 9.767 6.636 1.065 1.00 0.48 C ATOM 687 C ALA A 45 8.821 5.457 1.241 1.00 0.41 C ATOM 688 O ALA A 45 8.758 4.572 0.387 1.00 0.41 O ATOM 689 CB ALA A 45 11.032 6.415 1.876 1.00 0.52 C ATOM 0 H ALA A 45 9.455 8.276 2.338 1.00 0.48 H new ATOM 0 HA ALA A 45 10.025 6.704 0.008 1.00 0.48 H new ATOM 0 HB1 ALA A 45 11.495 5.474 1.579 1.00 0.52 H new ATOM 0 HB2 ALA A 45 11.728 7.234 1.695 1.00 0.52 H new ATOM 0 HB3 ALA A 45 10.783 6.378 2.936 1.00 0.52 H new ATOM 695 N VAL A 46 8.076 5.443 2.339 1.00 0.37 N ATOM 696 CA VAL A 46 7.224 4.302 2.651 1.00 0.34 C ATOM 697 C VAL A 46 6.038 4.215 1.689 1.00 0.34 C ATOM 698 O VAL A 46 5.655 3.125 1.283 1.00 0.39 O ATOM 699 CB VAL A 46 6.754 4.298 4.131 1.00 0.49 C ATOM 700 CG1 VAL A 46 7.212 5.541 4.858 1.00 1.41 C ATOM 701 CG2 VAL A 46 5.250 4.155 4.257 1.00 1.13 C ATOM 0 H VAL A 46 8.044 6.200 3.022 1.00 0.37 H new ATOM 0 HA VAL A 46 7.834 3.409 2.515 1.00 0.34 H new ATOM 0 HB VAL A 46 7.215 3.426 4.595 1.00 0.49 H new ATOM 0 HG11 VAL A 46 6.866 5.506 5.891 1.00 1.41 H new ATOM 0 HG12 VAL A 46 8.301 5.592 4.841 1.00 1.41 H new ATOM 0 HG13 VAL A 46 6.800 6.422 4.367 1.00 1.41 H new ATOM 0 HG21 VAL A 46 4.971 4.158 5.311 1.00 1.13 H new ATOM 0 HG22 VAL A 46 4.762 4.987 3.750 1.00 1.13 H new ATOM 0 HG23 VAL A 46 4.934 3.217 3.800 1.00 1.13 H new ATOM 711 N LYS A 47 5.484 5.361 1.297 1.00 0.34 N ATOM 712 CA LYS A 47 4.394 5.384 0.332 1.00 0.36 C ATOM 713 C LYS A 47 4.938 4.942 -1.017 1.00 0.39 C ATOM 714 O LYS A 47 4.268 4.249 -1.778 1.00 0.43 O ATOM 715 CB LYS A 47 3.785 6.785 0.211 1.00 0.38 C ATOM 716 CG LYS A 47 4.628 7.721 -0.627 1.00 0.49 C ATOM 717 CD LYS A 47 4.110 9.144 -0.638 1.00 0.47 C ATOM 718 CE LYS A 47 3.605 9.594 0.715 1.00 0.47 C ATOM 719 NZ LYS A 47 3.317 11.054 0.722 1.00 0.67 N ATOM 0 H LYS A 47 5.772 6.280 1.633 1.00 0.34 H new ATOM 0 HA LYS A 47 3.607 4.709 0.669 1.00 0.36 H new ATOM 0 HB2 LYS A 47 2.791 6.707 -0.229 1.00 0.38 H new ATOM 0 HB3 LYS A 47 3.661 7.209 1.207 1.00 0.38 H new ATOM 0 HG2 LYS A 47 5.650 7.716 -0.248 1.00 0.49 H new ATOM 0 HG3 LYS A 47 4.666 7.347 -1.650 1.00 0.49 H new ATOM 0 HD2 LYS A 47 4.906 9.813 -0.965 1.00 0.47 H new ATOM 0 HD3 LYS A 47 3.304 9.227 -1.368 1.00 0.47 H new ATOM 0 HE2 LYS A 47 2.701 9.041 0.971 1.00 0.47 H new ATOM 0 HE3 LYS A 47 4.348 9.363 1.479 1.00 0.47 H new ATOM 0 HZ1 LYS A 47 2.956 11.332 1.657 1.00 0.67 H new ATOM 0 HZ2 LYS A 47 4.190 11.581 0.517 1.00 0.67 H new ATOM 0 HZ3 LYS A 47 2.603 11.271 -0.003 1.00 0.67 H new ATOM 733 N GLN A 48 6.180 5.347 -1.289 1.00 0.40 N ATOM 734 CA GLN A 48 6.853 4.981 -2.517 1.00 0.46 C ATOM 735 C GLN A 48 7.059 3.482 -2.586 1.00 0.45 C ATOM 736 O GLN A 48 6.931 2.890 -3.641 1.00 0.50 O ATOM 737 CB GLN A 48 8.197 5.696 -2.655 1.00 0.52 C ATOM 738 CG GLN A 48 8.120 7.000 -3.434 1.00 0.58 C ATOM 739 CD GLN A 48 7.371 6.877 -4.751 1.00 0.67 C ATOM 740 OE1 GLN A 48 7.419 5.707 -5.367 1.00 0.99 O flip ATOM 741 NE2 GLN A 48 6.750 7.834 -5.211 1.00 0.63 N flip ATOM 0 H GLN A 48 6.735 5.932 -0.665 1.00 0.40 H new ATOM 0 HA GLN A 48 6.215 5.293 -3.344 1.00 0.46 H new ATOM 0 HB2 GLN A 48 8.593 5.900 -1.660 1.00 0.52 H new ATOM 0 HB3 GLN A 48 8.904 5.029 -3.149 1.00 0.52 H new ATOM 0 HG2 GLN A 48 7.632 7.754 -2.817 1.00 0.58 H new ATOM 0 HG3 GLN A 48 9.131 7.356 -3.632 1.00 0.58 H new ATOM 0 HE21 GLN A 48 6.735 8.721 -4.708 1.00 0.63 H new ATOM 0 HE22 GLN A 48 6.250 7.740 -6.095 1.00 0.63 H new ATOM 750 N ALA A 49 7.385 2.881 -1.455 1.00 0.42 N ATOM 751 CA ALA A 49 7.538 1.438 -1.375 1.00 0.41 C ATOM 752 C ALA A 49 6.178 0.751 -1.410 1.00 0.39 C ATOM 753 O ALA A 49 5.998 -0.274 -2.069 1.00 0.42 O ATOM 754 CB ALA A 49 8.276 1.068 -0.107 1.00 0.42 C ATOM 0 H ALA A 49 7.549 3.372 -0.576 1.00 0.42 H new ATOM 0 HA ALA A 49 8.115 1.101 -2.236 1.00 0.41 H new ATOM 0 HB1 ALA A 49 8.387 -0.015 -0.054 1.00 0.42 H new ATOM 0 HB2 ALA A 49 9.261 1.534 -0.110 1.00 0.42 H new ATOM 0 HB3 ALA A 49 7.712 1.418 0.758 1.00 0.42 H new ATOM 760 N LEU A 50 5.232 1.340 -0.692 1.00 0.38 N ATOM 761 CA LEU A 50 3.872 0.829 -0.600 1.00 0.40 C ATOM 762 C LEU A 50 3.246 0.644 -1.976 1.00 0.41 C ATOM 763 O LEU A 50 2.652 -0.393 -2.248 1.00 0.43 O ATOM 764 CB LEU A 50 3.019 1.787 0.247 1.00 0.45 C ATOM 765 CG LEU A 50 2.835 1.419 1.723 1.00 0.69 C ATOM 766 CD1 LEU A 50 1.447 0.863 1.986 1.00 1.33 C ATOM 767 CD2 LEU A 50 3.886 0.424 2.146 1.00 1.20 C ATOM 0 H LEU A 50 5.388 2.192 -0.153 1.00 0.38 H new ATOM 0 HA LEU A 50 3.908 -0.150 -0.123 1.00 0.40 H new ATOM 0 HB2 LEU A 50 3.469 2.779 0.197 1.00 0.45 H new ATOM 0 HB3 LEU A 50 2.033 1.861 -0.211 1.00 0.45 H new ATOM 0 HG LEU A 50 2.947 2.329 2.313 1.00 0.69 H new ATOM 0 HD11 LEU A 50 1.350 0.612 3.042 1.00 1.33 H new ATOM 0 HD12 LEU A 50 0.699 1.610 1.720 1.00 1.33 H new ATOM 0 HD13 LEU A 50 1.294 -0.033 1.385 1.00 1.33 H new ATOM 0 HD21 LEU A 50 3.745 0.170 3.197 1.00 1.20 H new ATOM 0 HD22 LEU A 50 3.798 -0.478 1.540 1.00 1.20 H new ATOM 0 HD23 LEU A 50 4.876 0.859 2.008 1.00 1.20 H new ATOM 779 N ARG A 51 3.432 1.614 -2.866 1.00 0.44 N ATOM 780 CA ARG A 51 2.699 1.621 -4.126 1.00 0.50 C ATOM 781 C ARG A 51 3.265 0.573 -5.061 1.00 0.52 C ATOM 782 O ARG A 51 2.572 0.057 -5.929 1.00 0.59 O ATOM 783 CB ARG A 51 2.763 2.998 -4.780 1.00 0.53 C ATOM 784 CG ARG A 51 4.150 3.601 -4.758 1.00 0.52 C ATOM 785 CD ARG A 51 4.270 4.773 -5.706 1.00 0.73 C ATOM 786 NE ARG A 51 3.236 5.786 -5.491 1.00 1.21 N ATOM 787 CZ ARG A 51 2.931 6.736 -6.373 1.00 1.63 C ATOM 788 NH1 ARG A 51 3.516 6.764 -7.563 1.00 1.96 N ATOM 789 NH2 ARG A 51 2.018 7.646 -6.071 1.00 2.17 N ATOM 0 H ARG A 51 4.075 2.395 -2.741 1.00 0.44 H new ATOM 0 HA ARG A 51 1.655 1.387 -3.919 1.00 0.50 H new ATOM 0 HB2 ARG A 51 2.424 2.919 -5.813 1.00 0.53 H new ATOM 0 HB3 ARG A 51 2.073 3.669 -4.268 1.00 0.53 H new ATOM 0 HG2 ARG A 51 4.388 3.927 -3.746 1.00 0.52 H new ATOM 0 HG3 ARG A 51 4.881 2.839 -5.028 1.00 0.52 H new ATOM 0 HD2 ARG A 51 5.252 5.232 -5.587 1.00 0.73 H new ATOM 0 HD3 ARG A 51 4.210 4.411 -6.733 1.00 0.73 H new ATOM 0 HE ARG A 51 2.718 5.763 -4.613 1.00 1.21 H new ATOM 0 HH11 ARG A 51 4.206 6.054 -7.809 1.00 1.96 H new ATOM 0 HH12 ARG A 51 3.276 7.495 -8.232 1.00 1.96 H new ATOM 0 HH21 ARG A 51 1.550 7.618 -5.165 1.00 2.17 H new ATOM 0 HH22 ARG A 51 1.782 8.375 -6.744 1.00 2.17 H new ATOM 803 N GLU A 52 4.531 0.268 -4.852 1.00 0.49 N ATOM 804 CA GLU A 52 5.235 -0.742 -5.619 1.00 0.54 C ATOM 805 C GLU A 52 4.785 -2.129 -5.192 1.00 0.53 C ATOM 806 O GLU A 52 4.395 -2.953 -6.018 1.00 0.58 O ATOM 807 CB GLU A 52 6.724 -0.576 -5.373 1.00 0.59 C ATOM 808 CG GLU A 52 7.174 0.858 -5.548 1.00 0.63 C ATOM 809 CD GLU A 52 7.367 1.234 -6.996 1.00 0.87 C ATOM 810 OE1 GLU A 52 8.473 1.012 -7.534 1.00 1.10 O ATOM 811 OE2 GLU A 52 6.412 1.753 -7.605 1.00 1.07 O ATOM 0 H GLU A 52 5.105 0.718 -4.139 1.00 0.49 H new ATOM 0 HA GLU A 52 5.017 -0.625 -6.681 1.00 0.54 H new ATOM 0 HB2 GLU A 52 6.964 -0.910 -4.363 1.00 0.59 H new ATOM 0 HB3 GLU A 52 7.278 -1.216 -6.060 1.00 0.59 H new ATOM 0 HG2 GLU A 52 6.437 1.523 -5.099 1.00 0.63 H new ATOM 0 HG3 GLU A 52 8.110 1.009 -5.010 1.00 0.63 H new ATOM 818 N ALA A 53 4.826 -2.367 -3.886 1.00 0.49 N ATOM 819 CA ALA A 53 4.368 -3.624 -3.323 1.00 0.48 C ATOM 820 C ALA A 53 2.881 -3.816 -3.604 1.00 0.49 C ATOM 821 O ALA A 53 2.436 -4.906 -3.965 1.00 0.53 O ATOM 822 CB ALA A 53 4.644 -3.659 -1.826 1.00 0.45 C ATOM 0 H ALA A 53 5.174 -1.700 -3.197 1.00 0.49 H new ATOM 0 HA ALA A 53 4.914 -4.443 -3.792 1.00 0.48 H new ATOM 0 HB1 ALA A 53 4.296 -4.606 -1.414 1.00 0.45 H new ATOM 0 HB2 ALA A 53 5.715 -3.558 -1.651 1.00 0.45 H new ATOM 0 HB3 ALA A 53 4.118 -2.837 -1.340 1.00 0.45 H new ATOM 828 N GLY A 54 2.123 -2.735 -3.448 1.00 0.49 N ATOM 829 CA GLY A 54 0.708 -2.760 -3.749 1.00 0.53 C ATOM 830 C GLY A 54 0.447 -2.999 -5.219 1.00 0.60 C ATOM 831 O GLY A 54 -0.483 -3.715 -5.574 1.00 0.70 O ATOM 0 H GLY A 54 2.470 -1.836 -3.115 1.00 0.49 H new ATOM 0 HA2 GLY A 54 0.226 -3.543 -3.163 1.00 0.53 H new ATOM 0 HA3 GLY A 54 0.257 -1.814 -3.449 1.00 0.53 H new ATOM 835 N ASP A 55 1.283 -2.403 -6.069 1.00 0.61 N ATOM 836 CA ASP A 55 1.194 -2.593 -7.517 1.00 0.69 C ATOM 837 C ASP A 55 1.313 -4.064 -7.868 1.00 0.70 C ATOM 838 O ASP A 55 0.443 -4.616 -8.529 1.00 0.79 O ATOM 839 CB ASP A 55 2.297 -1.808 -8.233 1.00 0.73 C ATOM 840 CG ASP A 55 2.354 -2.088 -9.722 1.00 0.85 C ATOM 841 OD1 ASP A 55 1.603 -1.437 -10.484 1.00 1.04 O ATOM 842 OD2 ASP A 55 3.126 -2.981 -10.136 1.00 0.82 O ATOM 0 H ASP A 55 2.035 -1.780 -5.777 1.00 0.61 H new ATOM 0 HA ASP A 55 0.223 -2.223 -7.846 1.00 0.69 H new ATOM 0 HB2 ASP A 55 2.137 -0.741 -8.076 1.00 0.73 H new ATOM 0 HB3 ASP A 55 3.260 -2.055 -7.786 1.00 0.73 H new ATOM 847 N GLU A 56 2.389 -4.686 -7.392 1.00 0.66 N ATOM 848 CA GLU A 56 2.664 -6.103 -7.638 1.00 0.74 C ATOM 849 C GLU A 56 1.514 -6.990 -7.160 1.00 0.77 C ATOM 850 O GLU A 56 1.297 -8.086 -7.684 1.00 0.88 O ATOM 851 CB GLU A 56 3.977 -6.498 -6.952 1.00 0.79 C ATOM 852 CG GLU A 56 5.183 -5.749 -7.503 1.00 1.24 C ATOM 853 CD GLU A 56 6.479 -6.092 -6.794 1.00 1.52 C ATOM 854 OE1 GLU A 56 6.925 -7.254 -6.884 1.00 1.43 O ATOM 855 OE2 GLU A 56 7.067 -5.195 -6.154 1.00 2.29 O ATOM 0 H GLU A 56 3.098 -4.222 -6.823 1.00 0.66 H new ATOM 0 HA GLU A 56 2.761 -6.254 -8.713 1.00 0.74 H new ATOM 0 HB2 GLU A 56 3.894 -6.306 -5.882 1.00 0.79 H new ATOM 0 HB3 GLU A 56 4.136 -7.570 -7.072 1.00 0.79 H new ATOM 0 HG2 GLU A 56 5.287 -5.974 -8.564 1.00 1.24 H new ATOM 0 HG3 GLU A 56 5.005 -4.677 -7.420 1.00 1.24 H new ATOM 862 N PHE A 57 0.792 -6.512 -6.162 1.00 0.71 N ATOM 863 CA PHE A 57 -0.365 -7.219 -5.627 1.00 0.75 C ATOM 864 C PHE A 57 -1.549 -7.146 -6.599 1.00 0.78 C ATOM 865 O PHE A 57 -2.353 -8.078 -6.684 1.00 0.91 O ATOM 866 CB PHE A 57 -0.743 -6.615 -4.267 1.00 0.76 C ATOM 867 CG PHE A 57 -1.879 -7.306 -3.564 1.00 1.09 C ATOM 868 CD1 PHE A 57 -1.714 -8.574 -3.034 1.00 1.37 C ATOM 869 CD2 PHE A 57 -3.106 -6.680 -3.424 1.00 1.71 C ATOM 870 CE1 PHE A 57 -2.755 -9.207 -2.379 1.00 1.79 C ATOM 871 CE2 PHE A 57 -4.148 -7.307 -2.769 1.00 2.29 C ATOM 872 CZ PHE A 57 -3.973 -8.571 -2.246 1.00 2.20 C ATOM 0 H PHE A 57 0.988 -5.625 -5.698 1.00 0.71 H new ATOM 0 HA PHE A 57 -0.110 -8.271 -5.496 1.00 0.75 H new ATOM 0 HB2 PHE A 57 0.133 -6.637 -3.619 1.00 0.76 H new ATOM 0 HB3 PHE A 57 -1.007 -5.567 -4.411 1.00 0.76 H new ATOM 0 HD1 PHE A 57 -0.762 -9.075 -3.133 1.00 1.37 H new ATOM 0 HD2 PHE A 57 -3.250 -5.690 -3.832 1.00 1.71 H new ATOM 0 HE1 PHE A 57 -2.615 -10.198 -1.972 1.00 1.79 H new ATOM 0 HE2 PHE A 57 -5.100 -6.807 -2.666 1.00 2.29 H new ATOM 0 HZ PHE A 57 -4.787 -9.062 -1.734 1.00 2.20 H new ATOM 882 N GLU A 58 -1.623 -6.053 -7.356 1.00 0.73 N ATOM 883 CA GLU A 58 -2.765 -5.783 -8.227 1.00 0.82 C ATOM 884 C GLU A 58 -2.812 -6.724 -9.420 1.00 0.82 C ATOM 885 O GLU A 58 -3.672 -7.594 -9.486 1.00 0.89 O ATOM 886 CB GLU A 58 -2.726 -4.344 -8.729 1.00 0.86 C ATOM 887 CG GLU A 58 -2.683 -3.320 -7.617 1.00 0.91 C ATOM 888 CD GLU A 58 -2.674 -1.903 -8.139 1.00 0.93 C ATOM 889 OE1 GLU A 58 -3.690 -1.471 -8.718 1.00 1.30 O ATOM 890 OE2 GLU A 58 -1.648 -1.207 -7.981 1.00 1.24 O ATOM 0 H GLU A 58 -0.899 -5.335 -7.383 1.00 0.73 H new ATOM 0 HA GLU A 58 -3.662 -5.945 -7.629 1.00 0.82 H new ATOM 0 HB2 GLU A 58 -1.852 -4.213 -9.367 1.00 0.86 H new ATOM 0 HB3 GLU A 58 -3.603 -4.160 -9.349 1.00 0.86 H new ATOM 0 HG2 GLU A 58 -3.546 -3.459 -6.965 1.00 0.91 H new ATOM 0 HG3 GLU A 58 -1.794 -3.486 -7.008 1.00 0.91 H new ATOM 897 N LEU A 59 -1.875 -6.559 -10.355 1.00 0.81 N ATOM 898 CA LEU A 59 -1.878 -7.320 -11.601 1.00 0.87 C ATOM 899 C LEU A 59 -1.894 -8.818 -11.338 1.00 0.85 C ATOM 900 O LEU A 59 -2.495 -9.587 -12.085 1.00 0.96 O ATOM 901 CB LEU A 59 -0.681 -6.919 -12.489 1.00 0.96 C ATOM 902 CG LEU A 59 0.753 -7.117 -11.944 1.00 1.06 C ATOM 903 CD1 LEU A 59 0.946 -6.518 -10.582 1.00 1.54 C ATOM 904 CD2 LEU A 59 1.194 -8.570 -11.952 1.00 1.46 C ATOM 0 H LEU A 59 -1.101 -5.900 -10.270 1.00 0.81 H new ATOM 0 HA LEU A 59 -2.794 -7.077 -12.139 1.00 0.87 H new ATOM 0 HB2 LEU A 59 -0.760 -7.479 -13.421 1.00 0.96 H new ATOM 0 HB3 LEU A 59 -0.796 -5.865 -12.740 1.00 0.96 H new ATOM 0 HG LEU A 59 1.394 -6.575 -12.639 1.00 1.06 H new ATOM 0 HD11 LEU A 59 1.971 -6.688 -10.252 1.00 1.54 H new ATOM 0 HD12 LEU A 59 0.752 -5.446 -10.625 1.00 1.54 H new ATOM 0 HD13 LEU A 59 0.256 -6.984 -9.879 1.00 1.54 H new ATOM 0 HD21 LEU A 59 2.208 -8.645 -11.559 1.00 1.46 H new ATOM 0 HD22 LEU A 59 0.519 -9.158 -11.330 1.00 1.46 H new ATOM 0 HD23 LEU A 59 1.172 -8.951 -12.973 1.00 1.46 H new ATOM 916 N ARG A 60 -1.226 -9.211 -10.270 1.00 0.83 N ATOM 917 CA ARG A 60 -1.188 -10.589 -9.830 1.00 0.90 C ATOM 918 C ARG A 60 -2.597 -11.172 -9.672 1.00 0.98 C ATOM 919 O ARG A 60 -2.996 -12.079 -10.404 1.00 1.15 O ATOM 920 CB ARG A 60 -0.441 -10.631 -8.500 1.00 1.03 C ATOM 921 CG ARG A 60 0.184 -11.967 -8.182 1.00 1.00 C ATOM 922 CD ARG A 60 1.192 -11.835 -7.052 1.00 1.07 C ATOM 923 NE ARG A 60 2.185 -10.802 -7.347 1.00 1.41 N ATOM 924 CZ ARG A 60 3.484 -10.913 -7.083 1.00 1.94 C ATOM 925 NH1 ARG A 60 3.962 -12.003 -6.501 1.00 2.43 N ATOM 926 NH2 ARG A 60 4.306 -9.934 -7.420 1.00 2.58 N ATOM 0 H ARG A 60 -0.690 -8.575 -9.679 1.00 0.83 H new ATOM 0 HA ARG A 60 -0.679 -11.197 -10.578 1.00 0.90 H new ATOM 0 HB2 ARG A 60 0.340 -9.871 -8.511 1.00 1.03 H new ATOM 0 HB3 ARG A 60 -1.132 -10.366 -7.700 1.00 1.03 H new ATOM 0 HG2 ARG A 60 -0.592 -12.679 -7.902 1.00 1.00 H new ATOM 0 HG3 ARG A 60 0.676 -12.364 -9.070 1.00 1.00 H new ATOM 0 HD2 ARG A 60 0.673 -11.590 -6.125 1.00 1.07 H new ATOM 0 HD3 ARG A 60 1.693 -12.790 -6.894 1.00 1.07 H new ATOM 0 HE ARG A 60 1.860 -9.940 -7.784 1.00 1.41 H new ATOM 0 HH11 ARG A 60 3.332 -12.766 -6.252 1.00 2.43 H new ATOM 0 HH12 ARG A 60 4.960 -12.079 -6.302 1.00 2.43 H new ATOM 0 HH21 ARG A 60 3.943 -9.099 -7.880 1.00 2.58 H new ATOM 0 HH22 ARG A 60 5.303 -10.014 -7.220 1.00 2.58 H new ATOM 940 N TYR A 61 -3.336 -10.643 -8.709 1.00 1.04 N ATOM 941 CA TYR A 61 -4.638 -11.187 -8.334 1.00 1.26 C ATOM 942 C TYR A 61 -5.806 -10.498 -9.045 1.00 1.32 C ATOM 943 O TYR A 61 -6.961 -10.831 -8.791 1.00 1.59 O ATOM 944 CB TYR A 61 -4.790 -11.137 -6.817 1.00 1.52 C ATOM 945 CG TYR A 61 -3.642 -11.834 -6.129 1.00 2.19 C ATOM 946 CD1 TYR A 61 -3.376 -13.176 -6.353 1.00 2.84 C ATOM 947 CD2 TYR A 61 -2.853 -11.151 -5.214 1.00 2.70 C ATOM 948 CE1 TYR A 61 -2.352 -13.818 -5.685 1.00 3.86 C ATOM 949 CE2 TYR A 61 -1.824 -11.782 -4.549 1.00 3.67 C ATOM 950 CZ TYR A 61 -1.484 -13.114 -4.942 1.00 4.23 C ATOM 951 OH TYR A 61 -0.562 -13.748 -4.112 1.00 5.32 O ATOM 0 H TYR A 61 -3.054 -9.827 -8.165 1.00 1.04 H new ATOM 0 HA TYR A 61 -4.674 -12.225 -8.666 1.00 1.26 H new ATOM 0 HB2 TYR A 61 -4.838 -10.099 -6.488 1.00 1.52 H new ATOM 0 HB3 TYR A 61 -5.730 -11.607 -6.528 1.00 1.52 H new ATOM 0 HD1 TYR A 61 -3.978 -13.727 -7.060 1.00 2.84 H new ATOM 0 HD2 TYR A 61 -3.049 -10.107 -5.020 1.00 2.70 H new ATOM 0 HE1 TYR A 61 -2.249 -14.890 -5.761 1.00 3.86 H new ATOM 0 HE2 TYR A 61 -1.289 -11.284 -3.753 1.00 3.67 H new ATOM 0 HH TYR A 61 -0.635 -13.385 -3.205 1.00 5.32 H new ATOM 961 N ARG A 62 -5.492 -9.514 -9.888 1.00 1.28 N ATOM 962 CA ARG A 62 -6.497 -8.697 -10.591 1.00 1.39 C ATOM 963 C ARG A 62 -7.642 -9.545 -11.158 1.00 1.07 C ATOM 964 O ARG A 62 -8.800 -9.119 -11.122 1.00 1.30 O ATOM 965 CB ARG A 62 -5.817 -7.902 -11.716 1.00 1.72 C ATOM 966 CG ARG A 62 -6.522 -6.605 -12.104 1.00 2.15 C ATOM 967 CD ARG A 62 -7.790 -6.842 -12.911 1.00 2.51 C ATOM 968 NE ARG A 62 -8.402 -5.583 -13.333 1.00 3.10 N ATOM 969 CZ ARG A 62 -9.589 -5.483 -13.932 1.00 3.59 C ATOM 970 NH1 ARG A 62 -10.308 -6.568 -14.200 1.00 3.59 N ATOM 971 NH2 ARG A 62 -10.051 -4.286 -14.270 1.00 4.48 N ATOM 0 H ARG A 62 -4.530 -9.255 -10.107 1.00 1.28 H new ATOM 0 HA ARG A 62 -6.936 -8.012 -9.865 1.00 1.39 H new ATOM 0 HB2 ARG A 62 -4.798 -7.667 -11.410 1.00 1.72 H new ATOM 0 HB3 ARG A 62 -5.746 -8.538 -12.599 1.00 1.72 H new ATOM 0 HG2 ARG A 62 -6.770 -6.048 -11.201 1.00 2.15 H new ATOM 0 HG3 ARG A 62 -5.838 -5.985 -12.684 1.00 2.15 H new ATOM 0 HD2 ARG A 62 -7.556 -7.446 -13.788 1.00 2.51 H new ATOM 0 HD3 ARG A 62 -8.502 -7.411 -12.313 1.00 2.51 H new ATOM 0 HE ARG A 62 -7.885 -4.721 -13.157 1.00 3.10 H new ATOM 0 HH11 ARG A 62 -9.953 -7.490 -13.947 1.00 3.59 H new ATOM 0 HH12 ARG A 62 -11.215 -6.479 -14.659 1.00 3.59 H new ATOM 0 HH21 ARG A 62 -9.499 -3.452 -14.071 1.00 4.48 H new ATOM 0 HH22 ARG A 62 -10.958 -4.200 -14.729 1.00 4.48 H new ATOM 985 N ARG A 63 -7.311 -10.734 -11.674 1.00 0.98 N ATOM 986 CA ARG A 63 -8.318 -11.676 -12.178 1.00 1.19 C ATOM 987 C ARG A 63 -9.469 -11.810 -11.187 1.00 1.20 C ATOM 988 O ARG A 63 -10.639 -11.679 -11.549 1.00 1.45 O ATOM 989 CB ARG A 63 -7.711 -13.066 -12.394 1.00 1.61 C ATOM 990 CG ARG A 63 -6.440 -13.086 -13.222 1.00 2.18 C ATOM 991 CD ARG A 63 -5.888 -14.497 -13.324 1.00 2.52 C ATOM 992 NE ARG A 63 -4.517 -14.527 -13.832 1.00 3.12 N ATOM 993 CZ ARG A 63 -3.628 -15.466 -13.500 1.00 3.84 C ATOM 994 NH1 ARG A 63 -3.975 -16.452 -12.681 1.00 4.07 N ATOM 995 NH2 ARG A 63 -2.394 -15.422 -13.985 1.00 4.72 N ATOM 0 H ARG A 63 -6.351 -11.068 -11.754 1.00 0.98 H new ATOM 0 HA ARG A 63 -8.682 -11.282 -13.127 1.00 1.19 H new ATOM 0 HB2 ARG A 63 -7.500 -13.510 -11.421 1.00 1.61 H new ATOM 0 HB3 ARG A 63 -8.454 -13.699 -12.879 1.00 1.61 H new ATOM 0 HG2 ARG A 63 -6.644 -12.697 -14.220 1.00 2.18 H new ATOM 0 HG3 ARG A 63 -5.695 -12.431 -12.770 1.00 2.18 H new ATOM 0 HD2 ARG A 63 -5.918 -14.967 -12.341 1.00 2.52 H new ATOM 0 HD3 ARG A 63 -6.528 -15.087 -13.980 1.00 2.52 H new ATOM 0 HE ARG A 63 -4.224 -13.791 -14.475 1.00 3.12 H new ATOM 0 HH11 ARG A 63 -4.922 -16.493 -12.305 1.00 4.07 H new ATOM 0 HH12 ARG A 63 -3.294 -17.169 -12.428 1.00 4.07 H new ATOM 0 HH21 ARG A 63 -2.120 -14.668 -14.615 1.00 4.72 H new ATOM 0 HH22 ARG A 63 -1.719 -16.142 -13.728 1.00 4.72 H new ATOM 1009 N ALA A 64 -9.119 -12.056 -9.932 1.00 1.07 N ATOM 1010 CA ALA A 64 -10.106 -12.224 -8.883 1.00 1.09 C ATOM 1011 C ALA A 64 -10.758 -10.896 -8.536 1.00 1.08 C ATOM 1012 O ALA A 64 -11.972 -10.816 -8.479 1.00 1.05 O ATOM 1013 CB ALA A 64 -9.477 -12.837 -7.639 1.00 1.17 C ATOM 0 H ALA A 64 -8.153 -12.143 -9.618 1.00 1.07 H new ATOM 0 HA ALA A 64 -10.874 -12.902 -9.255 1.00 1.09 H new ATOM 0 HB1 ALA A 64 -10.237 -12.953 -6.866 1.00 1.17 H new ATOM 0 HB2 ALA A 64 -9.059 -13.813 -7.886 1.00 1.17 H new ATOM 0 HB3 ALA A 64 -8.684 -12.185 -7.273 1.00 1.17 H new ATOM 1019 N PHE A 65 -9.943 -9.860 -8.341 1.00 1.14 N ATOM 1020 CA PHE A 65 -10.421 -8.557 -7.848 1.00 1.22 C ATOM 1021 C PHE A 65 -11.686 -8.078 -8.562 1.00 1.19 C ATOM 1022 O PHE A 65 -12.658 -7.691 -7.916 1.00 1.22 O ATOM 1023 CB PHE A 65 -9.329 -7.495 -7.990 1.00 1.47 C ATOM 1024 CG PHE A 65 -8.153 -7.704 -7.080 1.00 1.41 C ATOM 1025 CD1 PHE A 65 -8.330 -8.201 -5.799 1.00 1.67 C ATOM 1026 CD2 PHE A 65 -6.871 -7.398 -7.506 1.00 1.98 C ATOM 1027 CE1 PHE A 65 -7.250 -8.392 -4.961 1.00 2.44 C ATOM 1028 CE2 PHE A 65 -5.786 -7.585 -6.672 1.00 2.59 C ATOM 1029 CZ PHE A 65 -5.977 -8.082 -5.398 1.00 2.81 C ATOM 0 H PHE A 65 -8.939 -9.893 -8.517 1.00 1.14 H new ATOM 0 HA PHE A 65 -10.669 -8.701 -6.797 1.00 1.22 H new ATOM 0 HB2 PHE A 65 -8.979 -7.484 -9.022 1.00 1.47 H new ATOM 0 HB3 PHE A 65 -9.761 -6.515 -7.789 1.00 1.47 H new ATOM 0 HD1 PHE A 65 -9.324 -8.442 -5.452 1.00 1.67 H new ATOM 0 HD2 PHE A 65 -6.718 -7.009 -8.502 1.00 1.98 H new ATOM 0 HE1 PHE A 65 -7.400 -8.783 -3.966 1.00 2.44 H new ATOM 0 HE2 PHE A 65 -4.791 -7.343 -7.015 1.00 2.59 H new ATOM 0 HZ PHE A 65 -5.131 -8.228 -4.743 1.00 2.81 H new ATOM 1039 N SER A 66 -11.679 -8.125 -9.888 1.00 1.20 N ATOM 1040 CA SER A 66 -12.811 -7.637 -10.671 1.00 1.24 C ATOM 1041 C SER A 66 -14.073 -8.446 -10.368 1.00 1.13 C ATOM 1042 O SER A 66 -15.173 -7.900 -10.281 1.00 1.16 O ATOM 1043 CB SER A 66 -12.488 -7.699 -12.164 1.00 1.45 C ATOM 1044 OG SER A 66 -13.522 -7.117 -12.942 1.00 2.19 O ATOM 0 H SER A 66 -10.907 -8.494 -10.443 1.00 1.20 H new ATOM 0 HA SER A 66 -12.996 -6.599 -10.393 1.00 1.24 H new ATOM 0 HB2 SER A 66 -11.549 -7.179 -12.357 1.00 1.45 H new ATOM 0 HB3 SER A 66 -12.345 -8.737 -12.464 1.00 1.45 H new ATOM 0 HG SER A 66 -13.286 -7.170 -13.892 1.00 2.19 H new ATOM 1050 N ASP A 67 -13.901 -9.747 -10.187 1.00 1.09 N ATOM 1051 CA ASP A 67 -15.015 -10.640 -9.898 1.00 1.08 C ATOM 1052 C ASP A 67 -15.376 -10.581 -8.417 1.00 0.97 C ATOM 1053 O ASP A 67 -16.542 -10.716 -8.038 1.00 1.01 O ATOM 1054 CB ASP A 67 -14.649 -12.072 -10.296 1.00 1.18 C ATOM 1055 CG ASP A 67 -15.697 -13.081 -9.879 1.00 1.86 C ATOM 1056 OD1 ASP A 67 -16.703 -13.235 -10.606 1.00 2.06 O ATOM 1057 OD2 ASP A 67 -15.523 -13.726 -8.823 1.00 2.72 O ATOM 0 H ASP A 67 -12.994 -10.211 -10.236 1.00 1.09 H new ATOM 0 HA ASP A 67 -15.881 -10.319 -10.477 1.00 1.08 H new ATOM 0 HB2 ASP A 67 -14.513 -12.121 -11.376 1.00 1.18 H new ATOM 0 HB3 ASP A 67 -13.694 -12.338 -9.843 1.00 1.18 H new ATOM 1062 N LEU A 68 -14.362 -10.342 -7.595 1.00 0.89 N ATOM 1063 CA LEU A 68 -14.506 -10.309 -6.148 1.00 0.85 C ATOM 1064 C LEU A 68 -15.478 -9.232 -5.689 1.00 0.76 C ATOM 1065 O LEU A 68 -15.964 -9.301 -4.572 1.00 0.77 O ATOM 1066 CB LEU A 68 -13.139 -10.124 -5.470 1.00 0.91 C ATOM 1067 CG LEU A 68 -12.448 -11.418 -5.005 1.00 1.06 C ATOM 1068 CD1 LEU A 68 -12.655 -12.547 -5.996 1.00 1.54 C ATOM 1069 CD2 LEU A 68 -10.963 -11.179 -4.773 1.00 1.56 C ATOM 0 H LEU A 68 -13.411 -10.165 -7.917 1.00 0.89 H new ATOM 0 HA LEU A 68 -14.923 -11.270 -5.847 1.00 0.85 H new ATOM 0 HB2 LEU A 68 -12.476 -9.608 -6.164 1.00 0.91 H new ATOM 0 HB3 LEU A 68 -13.267 -9.471 -4.607 1.00 0.91 H new ATOM 0 HG LEU A 68 -12.906 -11.716 -4.062 1.00 1.06 H new ATOM 0 HD11 LEU A 68 -12.153 -13.445 -5.635 1.00 1.54 H new ATOM 0 HD12 LEU A 68 -13.721 -12.746 -6.104 1.00 1.54 H new ATOM 0 HD13 LEU A 68 -12.239 -12.263 -6.963 1.00 1.54 H new ATOM 0 HD21 LEU A 68 -10.492 -12.106 -4.445 1.00 1.56 H new ATOM 0 HD22 LEU A 68 -10.499 -10.845 -5.701 1.00 1.56 H new ATOM 0 HD23 LEU A 68 -10.833 -10.415 -4.007 1.00 1.56 H new ATOM 1081 N THR A 69 -15.785 -8.255 -6.544 1.00 0.70 N ATOM 1082 CA THR A 69 -16.755 -7.219 -6.184 1.00 0.62 C ATOM 1083 C THR A 69 -18.087 -7.838 -5.778 1.00 0.63 C ATOM 1084 O THR A 69 -18.848 -7.251 -5.015 1.00 0.60 O ATOM 1085 CB THR A 69 -17.004 -6.211 -7.321 1.00 0.62 C ATOM 1086 OG1 THR A 69 -17.069 -6.882 -8.588 1.00 0.69 O ATOM 1087 CG2 THR A 69 -15.938 -5.136 -7.348 1.00 0.63 C ATOM 0 H THR A 69 -15.383 -8.159 -7.477 1.00 0.70 H new ATOM 0 HA THR A 69 -16.318 -6.681 -5.343 1.00 0.62 H new ATOM 0 HB THR A 69 -17.963 -5.729 -7.131 1.00 0.62 H new ATOM 0 HG1 THR A 69 -16.161 -7.040 -8.921 1.00 0.69 H new ATOM 0 HG21 THR A 69 -16.143 -4.441 -8.162 1.00 0.63 H new ATOM 0 HG22 THR A 69 -15.941 -4.597 -6.401 1.00 0.63 H new ATOM 0 HG23 THR A 69 -14.962 -5.596 -7.501 1.00 0.63 H new ATOM 1095 N SER A 70 -18.352 -9.036 -6.282 1.00 0.72 N ATOM 1096 CA SER A 70 -19.538 -9.779 -5.905 1.00 0.80 C ATOM 1097 C SER A 70 -19.361 -10.343 -4.499 1.00 0.76 C ATOM 1098 O SER A 70 -20.296 -10.368 -3.698 1.00 0.76 O ATOM 1099 CB SER A 70 -19.769 -10.911 -6.903 1.00 0.96 C ATOM 1100 OG SER A 70 -21.030 -11.531 -6.709 1.00 1.34 O ATOM 0 H SER A 70 -17.755 -9.513 -6.957 1.00 0.72 H new ATOM 0 HA SER A 70 -20.404 -9.117 -5.914 1.00 0.80 H new ATOM 0 HB2 SER A 70 -19.708 -10.519 -7.918 1.00 0.96 H new ATOM 0 HB3 SER A 70 -18.978 -11.654 -6.800 1.00 0.96 H new ATOM 0 HG SER A 70 -21.146 -12.250 -7.365 1.00 1.34 H new ATOM 1106 N GLN A 71 -18.137 -10.763 -4.206 1.00 0.77 N ATOM 1107 CA GLN A 71 -17.797 -11.335 -2.912 1.00 0.77 C ATOM 1108 C GLN A 71 -17.768 -10.249 -1.843 1.00 0.67 C ATOM 1109 O GLN A 71 -18.229 -10.462 -0.719 1.00 0.74 O ATOM 1110 CB GLN A 71 -16.448 -12.054 -2.987 1.00 0.81 C ATOM 1111 CG GLN A 71 -16.366 -13.052 -4.126 1.00 0.99 C ATOM 1112 CD GLN A 71 -15.220 -14.032 -3.974 1.00 1.09 C ATOM 1113 OE1 GLN A 71 -14.154 -13.610 -3.312 1.00 1.31 O flip ATOM 1114 NE2 GLN A 71 -15.295 -15.165 -4.442 1.00 1.42 N flip ATOM 0 H GLN A 71 -17.354 -10.716 -4.858 1.00 0.77 H new ATOM 0 HA GLN A 71 -18.561 -12.064 -2.641 1.00 0.77 H new ATOM 0 HB2 GLN A 71 -15.655 -11.315 -3.102 1.00 0.81 H new ATOM 0 HB3 GLN A 71 -16.266 -12.572 -2.045 1.00 0.81 H new ATOM 0 HG2 GLN A 71 -17.304 -13.605 -4.186 1.00 0.99 H new ATOM 0 HG3 GLN A 71 -16.253 -12.513 -5.067 1.00 0.99 H new ATOM 0 HE21 GLN A 71 -16.133 -15.454 -4.946 1.00 1.42 H new ATOM 0 HE22 GLN A 71 -14.519 -15.817 -4.326 1.00 1.42 H new ATOM 1123 N LEU A 72 -17.218 -9.083 -2.187 1.00 0.59 N ATOM 1124 CA LEU A 72 -17.318 -7.930 -1.313 1.00 0.55 C ATOM 1125 C LEU A 72 -18.763 -7.455 -1.256 1.00 0.47 C ATOM 1126 O LEU A 72 -19.236 -7.000 -0.225 1.00 0.48 O ATOM 1127 CB LEU A 72 -16.470 -6.759 -1.828 1.00 0.59 C ATOM 1128 CG LEU A 72 -14.945 -6.864 -1.719 1.00 0.76 C ATOM 1129 CD1 LEU A 72 -14.516 -7.322 -0.338 1.00 1.37 C ATOM 1130 CD2 LEU A 72 -14.357 -7.741 -2.812 1.00 1.35 C ATOM 0 H LEU A 72 -16.707 -8.920 -3.054 1.00 0.59 H new ATOM 0 HA LEU A 72 -16.960 -8.236 -0.330 1.00 0.55 H new ATOM 0 HB2 LEU A 72 -16.719 -6.605 -2.878 1.00 0.59 H new ATOM 0 HB3 LEU A 72 -16.781 -5.862 -1.292 1.00 0.59 H new ATOM 0 HG LEU A 72 -14.543 -5.862 -1.867 1.00 0.76 H new ATOM 0 HD11 LEU A 72 -13.429 -7.385 -0.297 1.00 1.37 H new ATOM 0 HD12 LEU A 72 -14.866 -6.608 0.407 1.00 1.37 H new ATOM 0 HD13 LEU A 72 -14.944 -8.303 -0.130 1.00 1.37 H new ATOM 0 HD21 LEU A 72 -13.274 -7.788 -2.697 1.00 1.35 H new ATOM 0 HD22 LEU A 72 -14.774 -8.745 -2.736 1.00 1.35 H new ATOM 0 HD23 LEU A 72 -14.601 -7.319 -3.787 1.00 1.35 H new ATOM 1142 N HIS A 73 -19.458 -7.593 -2.382 1.00 0.48 N ATOM 1143 CA HIS A 73 -20.801 -7.034 -2.561 1.00 0.48 C ATOM 1144 C HIS A 73 -20.719 -5.508 -2.669 1.00 0.43 C ATOM 1145 O HIS A 73 -21.729 -4.845 -2.865 1.00 0.52 O ATOM 1146 CB HIS A 73 -21.749 -7.480 -1.427 1.00 0.55 C ATOM 1147 CG HIS A 73 -23.160 -6.986 -1.557 1.00 1.20 C ATOM 1148 ND1 HIS A 73 -24.051 -7.482 -2.483 1.00 2.06 N ATOM 1149 CD2 HIS A 73 -23.832 -6.035 -0.866 1.00 1.97 C ATOM 1150 CE1 HIS A 73 -25.207 -6.857 -2.359 1.00 2.72 C ATOM 1151 NE2 HIS A 73 -25.101 -5.976 -1.384 1.00 2.62 N ATOM 0 H HIS A 73 -19.109 -8.095 -3.198 1.00 0.48 H new ATOM 0 HA HIS A 73 -21.221 -7.419 -3.490 1.00 0.48 H new ATOM 0 HB2 HIS A 73 -21.762 -8.569 -1.390 1.00 0.55 H new ATOM 0 HB3 HIS A 73 -21.344 -7.134 -0.476 1.00 0.55 H new ATOM 0 HD2 HIS A 73 -23.442 -5.435 -0.058 1.00 1.97 H new ATOM 0 HE1 HIS A 73 -26.090 -7.037 -2.955 1.00 2.72 H new ATOM 0 HE2 HIS A 73 -25.842 -5.352 -1.066 1.00 2.62 H new ATOM 1160 N ILE A 74 -19.477 -5.013 -2.597 1.00 0.45 N ATOM 1161 CA ILE A 74 -19.107 -3.586 -2.661 1.00 0.41 C ATOM 1162 C ILE A 74 -20.244 -2.632 -2.342 1.00 0.49 C ATOM 1163 O ILE A 74 -20.480 -2.344 -1.172 1.00 0.91 O ATOM 1164 CB ILE A 74 -18.434 -3.279 -4.019 1.00 0.38 C ATOM 1165 CG1 ILE A 74 -17.198 -4.160 -4.151 1.00 0.36 C ATOM 1166 CG2 ILE A 74 -18.025 -1.819 -4.137 1.00 0.44 C ATOM 1167 CD1 ILE A 74 -16.105 -3.792 -3.171 1.00 0.39 C ATOM 0 H ILE A 74 -18.664 -5.619 -2.488 1.00 0.45 H new ATOM 0 HA ILE A 74 -18.386 -3.407 -1.863 1.00 0.41 H new ATOM 0 HB ILE A 74 -19.152 -3.483 -4.814 1.00 0.38 H new ATOM 0 HG12 ILE A 74 -17.482 -5.201 -3.997 1.00 0.36 H new ATOM 0 HG13 ILE A 74 -16.810 -4.083 -5.167 1.00 0.36 H new ATOM 0 HG21 ILE A 74 -17.557 -1.650 -5.107 1.00 0.44 H new ATOM 0 HG22 ILE A 74 -18.907 -1.185 -4.044 1.00 0.44 H new ATOM 0 HG23 ILE A 74 -17.318 -1.574 -3.345 1.00 0.44 H new ATOM 0 HD11 ILE A 74 -15.251 -4.454 -3.313 1.00 0.39 H new ATOM 0 HD12 ILE A 74 -15.797 -2.760 -3.340 1.00 0.39 H new ATOM 0 HD13 ILE A 74 -16.479 -3.896 -2.153 1.00 0.39 H new ATOM 1179 N THR A 75 -21.022 -2.328 -3.359 1.00 0.38 N ATOM 1180 CA THR A 75 -22.109 -1.328 -3.326 1.00 0.40 C ATOM 1181 C THR A 75 -21.930 -0.235 -2.188 1.00 0.37 C ATOM 1182 O THR A 75 -20.792 0.059 -1.816 1.00 0.34 O ATOM 1183 CB THR A 75 -23.386 -2.204 -3.136 1.00 0.46 C ATOM 1184 OG1 THR A 75 -24.541 -1.650 -3.777 1.00 0.51 O ATOM 1185 CG2 THR A 75 -23.656 -2.472 -1.659 1.00 0.46 C ATOM 0 H THR A 75 -20.925 -2.776 -4.270 1.00 0.38 H new ATOM 0 HA THR A 75 -22.142 -0.719 -4.229 1.00 0.40 H new ATOM 0 HB THR A 75 -23.183 -3.155 -3.628 1.00 0.46 H new ATOM 0 HG1 THR A 75 -24.259 -1.011 -4.464 1.00 0.51 H new ATOM 0 HG21 THR A 75 -24.552 -3.085 -1.558 1.00 0.46 H new ATOM 0 HG22 THR A 75 -22.806 -2.997 -1.223 1.00 0.46 H new ATOM 0 HG23 THR A 75 -23.803 -1.526 -1.138 1.00 0.46 H new ATOM 1193 N PRO A 76 -23.000 0.514 -1.760 1.00 0.38 N ATOM 1194 CA PRO A 76 -23.007 1.386 -0.574 1.00 0.37 C ATOM 1195 C PRO A 76 -22.066 1.010 0.583 1.00 0.35 C ATOM 1196 O PRO A 76 -21.537 -0.096 0.656 1.00 0.35 O ATOM 1197 CB PRO A 76 -24.462 1.285 -0.117 1.00 0.42 C ATOM 1198 CG PRO A 76 -25.253 0.970 -1.348 1.00 0.47 C ATOM 1199 CD PRO A 76 -24.269 0.715 -2.462 1.00 0.44 C ATOM 0 HA PRO A 76 -22.639 2.376 -0.843 1.00 0.37 H new ATOM 0 HB2 PRO A 76 -24.583 0.506 0.636 1.00 0.42 H new ATOM 0 HB3 PRO A 76 -24.796 2.219 0.335 1.00 0.42 H new ATOM 0 HG2 PRO A 76 -25.884 0.096 -1.186 1.00 0.47 H new ATOM 0 HG3 PRO A 76 -25.914 1.798 -1.602 1.00 0.47 H new ATOM 0 HD2 PRO A 76 -24.546 -0.161 -3.049 1.00 0.44 H new ATOM 0 HD3 PRO A 76 -24.217 1.557 -3.152 1.00 0.44 H new ATOM 1207 N GLY A 77 -21.901 2.000 1.481 1.00 0.36 N ATOM 1208 CA GLY A 77 -20.959 1.983 2.611 1.00 0.37 C ATOM 1209 C GLY A 77 -20.706 0.649 3.299 1.00 0.38 C ATOM 1210 O GLY A 77 -19.681 0.488 3.965 1.00 0.40 O ATOM 0 H GLY A 77 -22.441 2.864 1.436 1.00 0.36 H new ATOM 0 HA2 GLY A 77 -20.002 2.364 2.256 1.00 0.37 H new ATOM 0 HA3 GLY A 77 -21.323 2.684 3.362 1.00 0.37 H new ATOM 1214 N THR A 78 -21.608 -0.302 3.155 1.00 0.40 N ATOM 1215 CA THR A 78 -21.437 -1.614 3.748 1.00 0.42 C ATOM 1216 C THR A 78 -20.270 -2.370 3.109 1.00 0.38 C ATOM 1217 O THR A 78 -19.960 -3.499 3.490 1.00 0.40 O ATOM 1218 CB THR A 78 -22.733 -2.420 3.627 1.00 0.49 C ATOM 1219 OG1 THR A 78 -23.172 -2.441 2.260 1.00 0.50 O ATOM 1220 CG2 THR A 78 -23.803 -1.786 4.494 1.00 0.56 C ATOM 0 H THR A 78 -22.474 -0.189 2.628 1.00 0.40 H new ATOM 0 HA THR A 78 -21.202 -1.479 4.804 1.00 0.42 H new ATOM 0 HB THR A 78 -22.552 -3.443 3.958 1.00 0.49 H new ATOM 0 HG1 THR A 78 -24.001 -2.960 2.190 1.00 0.50 H new ATOM 0 HG21 THR A 78 -24.727 -2.359 4.409 1.00 0.56 H new ATOM 0 HG22 THR A 78 -23.474 -1.781 5.533 1.00 0.56 H new ATOM 0 HG23 THR A 78 -23.979 -0.762 4.164 1.00 0.56 H new ATOM 1228 N ALA A 79 -19.606 -1.720 2.156 1.00 0.34 N ATOM 1229 CA ALA A 79 -18.389 -2.239 1.562 1.00 0.31 C ATOM 1230 C ALA A 79 -17.262 -2.239 2.584 1.00 0.30 C ATOM 1231 O ALA A 79 -16.235 -2.884 2.395 1.00 0.31 O ATOM 1232 CB ALA A 79 -18.003 -1.417 0.346 1.00 0.32 C ATOM 0 H ALA A 79 -19.901 -0.820 1.778 1.00 0.34 H new ATOM 0 HA ALA A 79 -18.567 -3.266 1.242 1.00 0.31 H new ATOM 0 HB1 ALA A 79 -17.088 -1.819 -0.089 1.00 0.32 H new ATOM 0 HB2 ALA A 79 -18.804 -1.460 -0.391 1.00 0.32 H new ATOM 0 HB3 ALA A 79 -17.839 -0.381 0.644 1.00 0.32 H new ATOM 1238 N TYR A 80 -17.463 -1.520 3.683 1.00 0.33 N ATOM 1239 CA TYR A 80 -16.487 -1.507 4.764 1.00 0.36 C ATOM 1240 C TYR A 80 -16.627 -2.777 5.584 1.00 0.36 C ATOM 1241 O TYR A 80 -15.707 -3.191 6.279 1.00 0.38 O ATOM 1242 CB TYR A 80 -16.653 -0.253 5.636 1.00 0.44 C ATOM 1243 CG TYR A 80 -17.391 -0.459 6.945 1.00 1.15 C ATOM 1244 CD1 TYR A 80 -18.781 -0.445 6.978 1.00 2.21 C ATOM 1245 CD2 TYR A 80 -16.709 -0.675 8.138 1.00 1.69 C ATOM 1246 CE1 TYR A 80 -19.469 -0.639 8.157 1.00 3.13 C ATOM 1247 CE2 TYR A 80 -17.396 -0.870 9.325 1.00 2.52 C ATOM 1248 CZ TYR A 80 -18.713 -0.822 9.366 1.00 3.12 C ATOM 1249 OH TYR A 80 -19.469 -1.046 10.501 1.00 4.13 O ATOM 0 H TYR A 80 -18.288 -0.942 3.847 1.00 0.33 H new ATOM 0 HA TYR A 80 -15.482 -1.473 4.342 1.00 0.36 H new ATOM 0 HB2 TYR A 80 -15.664 0.148 5.856 1.00 0.44 H new ATOM 0 HB3 TYR A 80 -17.182 0.504 5.056 1.00 0.44 H new ATOM 0 HD1 TYR A 80 -19.332 -0.279 6.064 1.00 2.21 H new ATOM 0 HD2 TYR A 80 -15.629 -0.691 8.139 1.00 1.69 H new ATOM 0 HE1 TYR A 80 -20.549 -0.653 8.172 1.00 3.13 H new ATOM 0 HE2 TYR A 80 -16.843 -1.065 10.232 1.00 2.52 H new ATOM 0 HH TYR A 80 -18.875 -1.160 11.272 1.00 4.13 H new ATOM 1259 N GLN A 81 -17.790 -3.391 5.477 1.00 0.37 N ATOM 1260 CA GLN A 81 -18.030 -4.695 6.077 1.00 0.41 C ATOM 1261 C GLN A 81 -17.482 -5.777 5.166 1.00 0.41 C ATOM 1262 O GLN A 81 -17.126 -6.872 5.596 1.00 0.46 O ATOM 1263 CB GLN A 81 -19.521 -4.906 6.325 1.00 0.45 C ATOM 1264 CG GLN A 81 -20.045 -4.183 7.554 1.00 0.58 C ATOM 1265 CD GLN A 81 -21.549 -4.301 7.700 1.00 0.68 C ATOM 1266 OE1 GLN A 81 -22.056 -5.246 8.303 1.00 1.03 O ATOM 1267 NE2 GLN A 81 -22.272 -3.332 7.166 1.00 0.79 N ATOM 0 H GLN A 81 -18.591 -3.006 4.976 1.00 0.37 H new ATOM 0 HA GLN A 81 -17.520 -4.745 7.039 1.00 0.41 H new ATOM 0 HB2 GLN A 81 -20.077 -4.567 5.451 1.00 0.45 H new ATOM 0 HB3 GLN A 81 -19.715 -5.973 6.432 1.00 0.45 H new ATOM 0 HG2 GLN A 81 -19.564 -4.590 8.443 1.00 0.58 H new ATOM 0 HG3 GLN A 81 -19.770 -3.130 7.497 1.00 0.58 H new ATOM 0 HE21 GLN A 81 -21.813 -2.565 6.674 1.00 0.79 H new ATOM 0 HE22 GLN A 81 -23.289 -3.351 7.246 1.00 0.79 H new ATOM 1276 N SER A 82 -17.422 -5.439 3.901 1.00 0.39 N ATOM 1277 CA SER A 82 -16.808 -6.277 2.894 1.00 0.41 C ATOM 1278 C SER A 82 -15.292 -6.259 3.063 1.00 0.41 C ATOM 1279 O SER A 82 -14.649 -7.300 3.202 1.00 0.48 O ATOM 1280 CB SER A 82 -17.190 -5.728 1.530 1.00 0.41 C ATOM 1281 OG SER A 82 -18.551 -5.326 1.522 1.00 0.43 O ATOM 0 H SER A 82 -17.801 -4.566 3.535 1.00 0.39 H new ATOM 0 HA SER A 82 -17.152 -7.307 2.992 1.00 0.41 H new ATOM 0 HB2 SER A 82 -16.552 -4.880 1.281 1.00 0.41 H new ATOM 0 HB3 SER A 82 -17.024 -6.487 0.766 1.00 0.41 H new ATOM 0 HG SER A 82 -19.097 -6.029 1.112 1.00 0.43 H new ATOM 1287 N PHE A 83 -14.744 -5.047 3.071 1.00 0.38 N ATOM 1288 CA PHE A 83 -13.324 -4.815 3.301 1.00 0.37 C ATOM 1289 C PHE A 83 -12.930 -5.295 4.697 1.00 0.38 C ATOM 1290 O PHE A 83 -11.760 -5.558 4.981 1.00 0.39 O ATOM 1291 CB PHE A 83 -13.035 -3.316 3.093 1.00 0.36 C ATOM 1292 CG PHE A 83 -12.285 -2.625 4.203 1.00 0.56 C ATOM 1293 CD1 PHE A 83 -12.959 -2.114 5.298 1.00 0.75 C ATOM 1294 CD2 PHE A 83 -10.903 -2.510 4.158 1.00 0.79 C ATOM 1295 CE1 PHE A 83 -12.272 -1.497 6.324 1.00 1.05 C ATOM 1296 CE2 PHE A 83 -10.212 -1.895 5.183 1.00 1.07 C ATOM 1297 CZ PHE A 83 -10.906 -1.314 6.228 1.00 1.18 C ATOM 0 H PHE A 83 -15.279 -4.192 2.917 1.00 0.38 H new ATOM 0 HA PHE A 83 -12.721 -5.384 2.594 1.00 0.37 H new ATOM 0 HB2 PHE A 83 -12.465 -3.201 2.171 1.00 0.36 H new ATOM 0 HB3 PHE A 83 -13.984 -2.801 2.948 1.00 0.36 H new ATOM 0 HD1 PHE A 83 -14.034 -2.199 5.351 1.00 0.75 H new ATOM 0 HD2 PHE A 83 -10.362 -2.906 3.312 1.00 0.79 H new ATOM 0 HE1 PHE A 83 -12.802 -1.157 7.202 1.00 1.05 H new ATOM 0 HE2 PHE A 83 -9.132 -1.868 5.168 1.00 1.07 H new ATOM 0 HZ PHE A 83 -10.384 -0.721 6.964 1.00 1.18 H new ATOM 1307 N GLU A 84 -13.934 -5.431 5.546 1.00 0.41 N ATOM 1308 CA GLU A 84 -13.753 -5.891 6.912 1.00 0.48 C ATOM 1309 C GLU A 84 -13.223 -7.308 6.942 1.00 0.52 C ATOM 1310 O GLU A 84 -12.251 -7.605 7.625 1.00 0.55 O ATOM 1311 CB GLU A 84 -15.081 -5.866 7.645 1.00 0.55 C ATOM 1312 CG GLU A 84 -15.024 -6.476 9.027 1.00 0.62 C ATOM 1313 CD GLU A 84 -16.363 -6.437 9.732 1.00 0.71 C ATOM 1314 OE1 GLU A 84 -17.168 -7.373 9.535 1.00 0.78 O ATOM 1315 OE2 GLU A 84 -16.623 -5.475 10.481 1.00 0.80 O ATOM 0 H GLU A 84 -14.903 -5.224 5.306 1.00 0.41 H new ATOM 0 HA GLU A 84 -13.037 -5.226 7.394 1.00 0.48 H new ATOM 0 HB2 GLU A 84 -15.421 -4.834 7.727 1.00 0.55 H new ATOM 0 HB3 GLU A 84 -15.823 -6.400 7.052 1.00 0.55 H new ATOM 0 HG2 GLU A 84 -14.687 -7.510 8.951 1.00 0.62 H new ATOM 0 HG3 GLU A 84 -14.286 -5.943 9.626 1.00 0.62 H new ATOM 1322 N GLN A 85 -13.905 -8.177 6.215 1.00 0.57 N ATOM 1323 CA GLN A 85 -13.535 -9.585 6.107 1.00 0.65 C ATOM 1324 C GLN A 85 -12.068 -9.731 5.761 1.00 0.64 C ATOM 1325 O GLN A 85 -11.395 -10.666 6.191 1.00 0.71 O ATOM 1326 CB GLN A 85 -14.377 -10.240 5.024 1.00 0.69 C ATOM 1327 CG GLN A 85 -15.852 -10.024 5.239 1.00 0.79 C ATOM 1328 CD GLN A 85 -16.725 -10.729 4.221 1.00 1.13 C ATOM 1329 OE1 GLN A 85 -16.342 -10.908 3.065 1.00 1.44 O ATOM 1330 NE2 GLN A 85 -17.904 -11.146 4.651 1.00 1.62 N ATOM 0 H GLN A 85 -14.736 -7.928 5.679 1.00 0.57 H new ATOM 0 HA GLN A 85 -13.714 -10.069 7.067 1.00 0.65 H new ATOM 0 HB2 GLN A 85 -14.091 -9.839 4.052 1.00 0.69 H new ATOM 0 HB3 GLN A 85 -14.168 -11.310 5.001 1.00 0.69 H new ATOM 0 HG2 GLN A 85 -16.120 -10.372 6.237 1.00 0.79 H new ATOM 0 HG3 GLN A 85 -16.062 -8.955 5.207 1.00 0.79 H new ATOM 0 HE21 GLN A 85 -18.183 -10.977 5.617 1.00 1.62 H new ATOM 0 HE22 GLN A 85 -18.534 -11.636 4.016 1.00 1.62 H new ATOM 1339 N VAL A 86 -11.590 -8.779 4.995 1.00 0.58 N ATOM 1340 CA VAL A 86 -10.228 -8.787 4.533 1.00 0.62 C ATOM 1341 C VAL A 86 -9.301 -8.213 5.586 1.00 0.55 C ATOM 1342 O VAL A 86 -8.315 -8.827 5.956 1.00 0.59 O ATOM 1343 CB VAL A 86 -10.073 -7.959 3.265 1.00 0.70 C ATOM 1344 CG1 VAL A 86 -8.921 -8.508 2.466 1.00 1.13 C ATOM 1345 CG2 VAL A 86 -11.364 -7.930 2.462 1.00 1.30 C ATOM 0 H VAL A 86 -12.136 -7.979 4.676 1.00 0.58 H new ATOM 0 HA VAL A 86 -9.967 -9.825 4.328 1.00 0.62 H new ATOM 0 HB VAL A 86 -9.857 -6.923 3.528 1.00 0.70 H new ATOM 0 HG11 VAL A 86 -8.799 -7.923 1.554 1.00 1.13 H new ATOM 0 HG12 VAL A 86 -8.008 -8.451 3.058 1.00 1.13 H new ATOM 0 HG13 VAL A 86 -9.121 -9.548 2.206 1.00 1.13 H new ATOM 0 HG21 VAL A 86 -11.220 -7.331 1.563 1.00 1.30 H new ATOM 0 HG22 VAL A 86 -11.640 -8.946 2.180 1.00 1.30 H new ATOM 0 HG23 VAL A 86 -12.159 -7.492 3.066 1.00 1.30 H new ATOM 1355 N VAL A 87 -9.624 -7.032 6.087 1.00 0.51 N ATOM 1356 CA VAL A 87 -8.778 -6.395 7.084 1.00 0.51 C ATOM 1357 C VAL A 87 -8.711 -7.274 8.326 1.00 0.56 C ATOM 1358 O VAL A 87 -7.781 -7.197 9.127 1.00 0.60 O ATOM 1359 CB VAL A 87 -9.295 -4.988 7.454 1.00 0.54 C ATOM 1360 CG1 VAL A 87 -10.594 -5.051 8.247 1.00 0.75 C ATOM 1361 CG2 VAL A 87 -8.236 -4.213 8.217 1.00 0.85 C ATOM 0 H VAL A 87 -10.454 -6.500 5.825 1.00 0.51 H new ATOM 0 HA VAL A 87 -7.780 -6.276 6.661 1.00 0.51 H new ATOM 0 HB VAL A 87 -9.508 -4.463 6.523 1.00 0.54 H new ATOM 0 HG11 VAL A 87 -10.923 -4.040 8.487 1.00 0.75 H new ATOM 0 HG12 VAL A 87 -11.359 -5.550 7.653 1.00 0.75 H new ATOM 0 HG13 VAL A 87 -10.430 -5.608 9.170 1.00 0.75 H new ATOM 0 HG21 VAL A 87 -8.619 -3.224 8.469 1.00 0.85 H new ATOM 0 HG22 VAL A 87 -7.983 -4.748 9.132 1.00 0.85 H new ATOM 0 HG23 VAL A 87 -7.344 -4.110 7.599 1.00 0.85 H new ATOM 1371 N ASN A 88 -9.723 -8.113 8.449 1.00 0.61 N ATOM 1372 CA ASN A 88 -9.782 -9.125 9.478 1.00 0.71 C ATOM 1373 C ASN A 88 -8.725 -10.196 9.248 1.00 0.78 C ATOM 1374 O ASN A 88 -7.935 -10.478 10.147 1.00 0.91 O ATOM 1375 CB ASN A 88 -11.172 -9.743 9.518 1.00 0.73 C ATOM 1376 CG ASN A 88 -11.992 -9.220 10.677 1.00 0.78 C ATOM 1377 OD1 ASN A 88 -11.998 -9.800 11.762 1.00 0.87 O ATOM 1378 ND2 ASN A 88 -12.694 -8.122 10.462 1.00 0.73 N ATOM 0 H ASN A 88 -10.533 -8.108 7.829 1.00 0.61 H new ATOM 0 HA ASN A 88 -9.577 -8.655 10.440 1.00 0.71 H new ATOM 0 HB2 ASN A 88 -11.690 -9.531 8.583 1.00 0.73 H new ATOM 0 HB3 ASN A 88 -11.085 -10.827 9.596 1.00 0.73 H new ATOM 0 HD21 ASN A 88 -13.266 -7.728 11.209 1.00 0.73 H new ATOM 0 HD22 ASN A 88 -12.664 -7.668 9.549 1.00 0.73 H new ATOM 1385 N GLU A 89 -8.669 -10.768 8.040 1.00 0.75 N ATOM 1386 CA GLU A 89 -7.698 -11.813 7.764 1.00 0.84 C ATOM 1387 C GLU A 89 -6.315 -11.225 7.841 1.00 0.82 C ATOM 1388 O GLU A 89 -5.386 -11.822 8.387 1.00 0.98 O ATOM 1389 CB GLU A 89 -7.931 -12.476 6.395 1.00 0.87 C ATOM 1390 CG GLU A 89 -8.027 -11.546 5.212 1.00 1.25 C ATOM 1391 CD GLU A 89 -6.705 -11.175 4.582 1.00 2.21 C ATOM 1392 OE1 GLU A 89 -5.646 -11.492 5.156 1.00 2.58 O ATOM 1393 OE2 GLU A 89 -6.727 -10.576 3.496 1.00 2.87 O ATOM 0 H GLU A 89 -9.275 -10.526 7.256 1.00 0.75 H new ATOM 0 HA GLU A 89 -7.813 -12.597 8.513 1.00 0.84 H new ATOM 0 HB2 GLU A 89 -7.119 -13.180 6.213 1.00 0.87 H new ATOM 0 HB3 GLU A 89 -8.851 -13.058 6.449 1.00 0.87 H new ATOM 0 HG2 GLU A 89 -8.656 -12.012 4.453 1.00 1.25 H new ATOM 0 HG3 GLU A 89 -8.531 -10.632 5.527 1.00 1.25 H new ATOM 1400 N LEU A 90 -6.229 -10.002 7.367 1.00 0.69 N ATOM 1401 CA LEU A 90 -4.970 -9.372 7.106 1.00 0.64 C ATOM 1402 C LEU A 90 -4.179 -9.096 8.378 1.00 0.70 C ATOM 1403 O LEU A 90 -2.962 -8.906 8.333 1.00 0.80 O ATOM 1404 CB LEU A 90 -5.208 -8.091 6.332 1.00 0.56 C ATOM 1405 CG LEU A 90 -5.382 -8.310 4.831 1.00 0.67 C ATOM 1406 CD1 LEU A 90 -5.914 -7.076 4.170 1.00 1.25 C ATOM 1407 CD2 LEU A 90 -4.079 -8.728 4.175 1.00 1.28 C ATOM 0 H LEU A 90 -7.039 -9.420 7.153 1.00 0.69 H new ATOM 0 HA LEU A 90 -4.365 -10.058 6.513 1.00 0.64 H new ATOM 0 HB2 LEU A 90 -6.097 -7.598 6.725 1.00 0.56 H new ATOM 0 HB3 LEU A 90 -4.370 -7.415 6.498 1.00 0.56 H new ATOM 0 HG LEU A 90 -6.103 -9.118 4.703 1.00 0.67 H new ATOM 0 HD11 LEU A 90 -6.029 -7.257 3.101 1.00 1.25 H new ATOM 0 HD12 LEU A 90 -6.882 -6.821 4.601 1.00 1.25 H new ATOM 0 HD13 LEU A 90 -5.218 -6.251 4.326 1.00 1.25 H new ATOM 0 HD21 LEU A 90 -4.240 -8.875 3.107 1.00 1.28 H new ATOM 0 HD22 LEU A 90 -3.330 -7.950 4.325 1.00 1.28 H new ATOM 0 HD23 LEU A 90 -3.730 -9.659 4.621 1.00 1.28 H new ATOM 1419 N PHE A 91 -4.866 -9.087 9.517 1.00 0.73 N ATOM 1420 CA PHE A 91 -4.225 -8.720 10.770 1.00 0.82 C ATOM 1421 C PHE A 91 -4.066 -9.917 11.698 1.00 0.91 C ATOM 1422 O PHE A 91 -3.259 -9.888 12.626 1.00 1.06 O ATOM 1423 CB PHE A 91 -4.989 -7.587 11.475 1.00 0.88 C ATOM 1424 CG PHE A 91 -6.092 -8.032 12.403 1.00 1.04 C ATOM 1425 CD1 PHE A 91 -5.830 -8.304 13.733 1.00 1.26 C ATOM 1426 CD2 PHE A 91 -7.390 -8.188 11.938 1.00 1.70 C ATOM 1427 CE1 PHE A 91 -6.836 -8.719 14.583 1.00 1.75 C ATOM 1428 CE2 PHE A 91 -8.399 -8.604 12.782 1.00 2.30 C ATOM 1429 CZ PHE A 91 -8.124 -8.833 14.122 1.00 2.23 C ATOM 0 H PHE A 91 -5.854 -9.327 9.596 1.00 0.73 H new ATOM 0 HA PHE A 91 -3.227 -8.359 10.523 1.00 0.82 H new ATOM 0 HB2 PHE A 91 -4.276 -6.990 12.044 1.00 0.88 H new ATOM 0 HB3 PHE A 91 -5.418 -6.933 10.716 1.00 0.88 H new ATOM 0 HD1 PHE A 91 -4.825 -8.190 14.112 1.00 1.26 H new ATOM 0 HD2 PHE A 91 -7.613 -7.981 10.902 1.00 1.70 H new ATOM 0 HE1 PHE A 91 -6.609 -8.954 15.612 1.00 1.75 H new ATOM 0 HE2 PHE A 91 -9.399 -8.751 12.401 1.00 2.30 H new ATOM 0 HZ PHE A 91 -8.921 -9.100 14.801 1.00 2.23 H new ATOM 1439 N ARG A 92 -4.835 -10.961 11.468 1.00 0.96 N ATOM 1440 CA ARG A 92 -4.771 -12.126 12.340 1.00 1.11 C ATOM 1441 C ARG A 92 -3.947 -13.239 11.713 1.00 0.83 C ATOM 1442 O ARG A 92 -3.425 -14.111 12.405 1.00 0.90 O ATOM 1443 CB ARG A 92 -6.174 -12.642 12.663 1.00 1.53 C ATOM 1444 CG ARG A 92 -6.653 -13.767 11.761 1.00 1.62 C ATOM 1445 CD ARG A 92 -7.716 -13.284 10.806 1.00 2.21 C ATOM 1446 NE ARG A 92 -8.980 -13.009 11.487 1.00 3.27 N ATOM 1447 CZ ARG A 92 -10.177 -13.116 10.915 1.00 4.05 C ATOM 1448 NH1 ARG A 92 -10.283 -13.536 9.658 1.00 3.96 N ATOM 1449 NH2 ARG A 92 -11.267 -12.812 11.609 1.00 5.06 N ATOM 0 H ARG A 92 -5.502 -11.032 10.700 1.00 0.96 H new ATOM 0 HA ARG A 92 -4.286 -11.814 13.265 1.00 1.11 H new ATOM 0 HB2 ARG A 92 -6.191 -12.989 13.696 1.00 1.53 H new ATOM 0 HB3 ARG A 92 -6.878 -11.813 12.594 1.00 1.53 H new ATOM 0 HG2 ARG A 92 -5.811 -14.170 11.199 1.00 1.62 H new ATOM 0 HG3 ARG A 92 -7.049 -14.581 12.369 1.00 1.62 H new ATOM 0 HD2 ARG A 92 -7.370 -12.380 10.305 1.00 2.21 H new ATOM 0 HD3 ARG A 92 -7.877 -14.035 10.033 1.00 2.21 H new ATOM 0 HE ARG A 92 -8.942 -12.716 12.463 1.00 3.27 H new ATOM 0 HH11 ARG A 92 -9.445 -13.778 9.129 1.00 3.96 H new ATOM 0 HH12 ARG A 92 -11.202 -13.617 9.223 1.00 3.96 H new ATOM 0 HH21 ARG A 92 -11.185 -12.498 12.576 1.00 5.06 H new ATOM 0 HH22 ARG A 92 -12.187 -12.892 11.175 1.00 5.06 H new ATOM 1463 N ASP A 93 -3.831 -13.198 10.400 1.00 0.84 N ATOM 1464 CA ASP A 93 -3.259 -14.306 9.652 1.00 1.10 C ATOM 1465 C ASP A 93 -1.783 -14.079 9.369 1.00 1.31 C ATOM 1466 O ASP A 93 -1.230 -14.672 8.444 1.00 1.88 O ATOM 1467 CB ASP A 93 -4.017 -14.505 8.335 1.00 1.65 C ATOM 1468 CG ASP A 93 -4.174 -15.966 7.956 1.00 2.40 C ATOM 1469 OD1 ASP A 93 -3.185 -16.565 7.477 1.00 3.12 O ATOM 1470 OD2 ASP A 93 -5.275 -16.530 8.137 1.00 2.58 O ATOM 0 H ASP A 93 -4.125 -12.408 9.826 1.00 0.84 H new ATOM 0 HA ASP A 93 -3.355 -15.204 10.262 1.00 1.10 H new ATOM 0 HB2 ASP A 93 -5.003 -14.049 8.417 1.00 1.65 H new ATOM 0 HB3 ASP A 93 -3.490 -13.983 7.536 1.00 1.65 H new ATOM 1475 N GLY A 94 -1.129 -13.220 10.144 1.00 1.11 N ATOM 1476 CA GLY A 94 0.292 -13.064 9.945 1.00 1.69 C ATOM 1477 C GLY A 94 0.695 -11.706 9.411 1.00 1.62 C ATOM 1478 O GLY A 94 1.139 -11.609 8.267 1.00 2.31 O ATOM 0 H GLY A 94 -1.543 -12.649 10.881 1.00 1.11 H new ATOM 0 HA2 GLY A 94 0.802 -13.236 10.893 1.00 1.69 H new ATOM 0 HA3 GLY A 94 0.638 -13.832 9.253 1.00 1.69 H new ATOM 1482 N VAL A 95 0.534 -10.647 10.205 1.00 0.85 N ATOM 1483 CA VAL A 95 0.852 -9.307 9.723 1.00 0.67 C ATOM 1484 C VAL A 95 2.346 -9.131 9.562 1.00 0.62 C ATOM 1485 O VAL A 95 3.089 -8.872 10.506 1.00 0.61 O ATOM 1486 CB VAL A 95 0.370 -8.176 10.653 1.00 0.59 C ATOM 1487 CG1 VAL A 95 0.632 -6.821 10.000 1.00 0.84 C ATOM 1488 CG2 VAL A 95 -1.089 -8.333 11.004 1.00 1.06 C ATOM 0 H VAL A 95 0.192 -10.690 11.165 1.00 0.85 H new ATOM 0 HA VAL A 95 0.326 -9.228 8.771 1.00 0.67 H new ATOM 0 HB VAL A 95 0.933 -8.234 11.584 1.00 0.59 H new ATOM 0 HG11 VAL A 95 0.289 -6.026 10.662 1.00 0.84 H new ATOM 0 HG12 VAL A 95 1.700 -6.706 9.817 1.00 0.84 H new ATOM 0 HG13 VAL A 95 0.094 -6.763 9.054 1.00 0.84 H new ATOM 0 HG21 VAL A 95 -1.395 -7.519 11.661 1.00 1.06 H new ATOM 0 HG22 VAL A 95 -1.687 -8.309 10.093 1.00 1.06 H new ATOM 0 HG23 VAL A 95 -1.241 -9.285 11.512 1.00 1.06 H new ATOM 1498 N ASN A 96 2.756 -9.347 8.351 1.00 0.76 N ATOM 1499 CA ASN A 96 4.073 -8.998 7.887 1.00 0.86 C ATOM 1500 C ASN A 96 3.917 -7.847 6.919 1.00 0.72 C ATOM 1501 O ASN A 96 2.790 -7.428 6.640 1.00 0.62 O ATOM 1502 CB ASN A 96 4.751 -10.201 7.211 1.00 1.17 C ATOM 1503 CG ASN A 96 3.783 -11.055 6.410 1.00 1.47 C ATOM 1504 OD1 ASN A 96 2.779 -10.428 5.814 1.00 2.12 O flip ATOM 1505 ND2 ASN A 96 3.939 -12.270 6.322 1.00 1.67 N flip ATOM 0 H ASN A 96 2.173 -9.782 7.636 1.00 0.76 H new ATOM 0 HA ASN A 96 4.710 -8.707 8.723 1.00 0.86 H new ATOM 0 HB2 ASN A 96 5.542 -9.842 6.552 1.00 1.17 H new ATOM 0 HB3 ASN A 96 5.227 -10.818 7.973 1.00 1.17 H new ATOM 0 HD21 ASN A 96 4.724 -12.719 6.794 1.00 1.67 H new ATOM 0 HD22 ASN A 96 3.284 -12.830 5.776 1.00 1.67 H new ATOM 1512 N TRP A 97 5.019 -7.366 6.390 1.00 0.77 N ATOM 1513 CA TRP A 97 5.015 -6.210 5.507 1.00 0.72 C ATOM 1514 C TRP A 97 4.008 -6.380 4.361 1.00 0.63 C ATOM 1515 O TRP A 97 3.240 -5.467 4.061 1.00 0.59 O ATOM 1516 CB TRP A 97 6.425 -5.996 4.959 1.00 0.86 C ATOM 1517 CG TRP A 97 7.468 -5.909 6.035 1.00 0.68 C ATOM 1518 CD1 TRP A 97 7.926 -4.776 6.647 1.00 0.83 C ATOM 1519 CD2 TRP A 97 8.179 -7.002 6.633 1.00 1.43 C ATOM 1520 NE1 TRP A 97 8.877 -5.098 7.586 1.00 0.99 N ATOM 1521 CE2 TRP A 97 9.048 -6.458 7.596 1.00 1.60 C ATOM 1522 CE3 TRP A 97 8.162 -8.388 6.447 1.00 2.29 C ATOM 1523 CZ2 TRP A 97 9.893 -7.253 8.370 1.00 2.54 C ATOM 1524 CZ3 TRP A 97 9.000 -9.174 7.213 1.00 3.24 C ATOM 1525 CH2 TRP A 97 9.855 -8.604 8.165 1.00 3.34 C ATOM 0 H TRP A 97 5.945 -7.761 6.556 1.00 0.77 H new ATOM 0 HA TRP A 97 4.706 -5.334 6.077 1.00 0.72 H new ATOM 0 HB2 TRP A 97 6.675 -6.815 4.285 1.00 0.86 H new ATOM 0 HB3 TRP A 97 6.444 -5.080 4.368 1.00 0.86 H new ATOM 0 HD1 TRP A 97 7.590 -3.774 6.425 1.00 0.83 H new ATOM 0 HE1 TRP A 97 9.374 -4.433 8.179 1.00 0.99 H new ATOM 0 HE3 TRP A 97 7.505 -8.836 5.717 1.00 2.29 H new ATOM 0 HZ2 TRP A 97 10.554 -6.817 9.105 1.00 2.54 H new ATOM 0 HZ3 TRP A 97 8.996 -10.245 7.076 1.00 3.24 H new ATOM 0 HH2 TRP A 97 10.498 -9.246 8.749 1.00 3.34 H new ATOM 1536 N GLY A 98 3.994 -7.570 3.765 1.00 0.69 N ATOM 1537 CA GLY A 98 3.140 -7.842 2.616 1.00 0.69 C ATOM 1538 C GLY A 98 1.644 -7.734 2.895 1.00 0.62 C ATOM 1539 O GLY A 98 0.885 -7.333 2.015 1.00 0.61 O ATOM 0 H GLY A 98 4.566 -8.361 4.061 1.00 0.69 H new ATOM 0 HA2 GLY A 98 3.398 -7.148 1.816 1.00 0.69 H new ATOM 0 HA3 GLY A 98 3.356 -8.845 2.249 1.00 0.69 H new ATOM 1543 N ARG A 99 1.214 -8.081 4.111 1.00 0.65 N ATOM 1544 CA ARG A 99 -0.214 -8.032 4.456 1.00 0.67 C ATOM 1545 C ARG A 99 -0.741 -6.615 4.325 1.00 0.53 C ATOM 1546 O ARG A 99 -1.850 -6.383 3.855 1.00 0.55 O ATOM 1547 CB ARG A 99 -0.466 -8.503 5.894 1.00 0.82 C ATOM 1548 CG ARG A 99 -0.286 -9.991 6.126 1.00 1.04 C ATOM 1549 CD ARG A 99 -1.279 -10.826 5.335 1.00 1.50 C ATOM 1550 NE ARG A 99 -1.226 -12.234 5.728 1.00 2.48 N ATOM 1551 CZ ARG A 99 -0.329 -13.108 5.271 1.00 3.32 C ATOM 1552 NH1 ARG A 99 0.534 -12.746 4.326 1.00 3.44 N ATOM 1553 NH2 ARG A 99 -0.309 -14.347 5.745 1.00 4.24 N ATOM 0 H ARG A 99 1.823 -8.395 4.866 1.00 0.65 H new ATOM 0 HA ARG A 99 -0.730 -8.698 3.764 1.00 0.67 H new ATOM 0 HB2 ARG A 99 0.208 -7.963 6.560 1.00 0.82 H new ATOM 0 HB3 ARG A 99 -1.482 -8.227 6.177 1.00 0.82 H new ATOM 0 HG2 ARG A 99 0.728 -10.279 5.849 1.00 1.04 H new ATOM 0 HG3 ARG A 99 -0.400 -10.206 7.188 1.00 1.04 H new ATOM 0 HD2 ARG A 99 -2.287 -10.441 5.492 1.00 1.50 H new ATOM 0 HD3 ARG A 99 -1.065 -10.736 4.270 1.00 1.50 H new ATOM 0 HE ARG A 99 -1.921 -12.569 6.395 1.00 2.48 H new ATOM 0 HH11 ARG A 99 0.510 -11.798 3.950 1.00 3.44 H new ATOM 0 HH12 ARG A 99 1.220 -13.416 3.978 1.00 3.44 H new ATOM 0 HH21 ARG A 99 -0.980 -14.631 6.459 1.00 4.24 H new ATOM 0 HH22 ARG A 99 0.377 -15.016 5.395 1.00 4.24 H new ATOM 1567 N ILE A 100 0.084 -5.671 4.726 1.00 0.44 N ATOM 1568 CA ILE A 100 -0.319 -4.284 4.803 1.00 0.36 C ATOM 1569 C ILE A 100 -0.394 -3.652 3.418 1.00 0.33 C ATOM 1570 O ILE A 100 -1.268 -2.824 3.150 1.00 0.34 O ATOM 1571 CB ILE A 100 0.647 -3.522 5.717 1.00 0.32 C ATOM 1572 CG1 ILE A 100 0.573 -4.151 7.109 1.00 0.33 C ATOM 1573 CG2 ILE A 100 0.308 -2.041 5.757 1.00 0.34 C ATOM 1574 CD1 ILE A 100 1.543 -3.580 8.105 1.00 0.34 C ATOM 0 H ILE A 100 1.049 -5.843 5.007 1.00 0.44 H new ATOM 0 HA ILE A 100 -1.321 -4.229 5.229 1.00 0.36 H new ATOM 0 HB ILE A 100 1.664 -3.596 5.333 1.00 0.32 H new ATOM 0 HG12 ILE A 100 -0.439 -4.029 7.495 1.00 0.33 H new ATOM 0 HG13 ILE A 100 0.753 -5.222 7.019 1.00 0.33 H new ATOM 0 HG21 ILE A 100 1.009 -1.525 6.413 1.00 0.34 H new ATOM 0 HG22 ILE A 100 0.377 -1.625 4.752 1.00 0.34 H new ATOM 0 HG23 ILE A 100 -0.706 -1.910 6.135 1.00 0.34 H new ATOM 0 HD11 ILE A 100 1.420 -4.085 9.063 1.00 0.34 H new ATOM 0 HD12 ILE A 100 2.562 -3.726 7.746 1.00 0.34 H new ATOM 0 HD13 ILE A 100 1.352 -2.514 8.229 1.00 0.34 H new ATOM 1586 N VAL A 101 0.505 -4.057 2.536 1.00 0.33 N ATOM 1587 CA VAL A 101 0.437 -3.620 1.149 1.00 0.35 C ATOM 1588 C VAL A 101 -0.822 -4.190 0.494 1.00 0.37 C ATOM 1589 O VAL A 101 -1.432 -3.551 -0.351 1.00 0.45 O ATOM 1590 CB VAL A 101 1.693 -4.015 0.326 1.00 0.46 C ATOM 1591 CG1 VAL A 101 2.833 -4.437 1.230 1.00 1.35 C ATOM 1592 CG2 VAL A 101 1.378 -5.090 -0.697 1.00 1.32 C ATOM 0 H VAL A 101 1.283 -4.681 2.751 1.00 0.33 H new ATOM 0 HA VAL A 101 0.399 -2.531 1.156 1.00 0.35 H new ATOM 0 HB VAL A 101 2.012 -3.128 -0.221 1.00 0.46 H new ATOM 0 HG11 VAL A 101 3.697 -4.707 0.623 1.00 1.35 H new ATOM 0 HG12 VAL A 101 3.097 -3.612 1.891 1.00 1.35 H new ATOM 0 HG13 VAL A 101 2.526 -5.296 1.827 1.00 1.35 H new ATOM 0 HG21 VAL A 101 2.282 -5.339 -1.253 1.00 1.32 H new ATOM 0 HG22 VAL A 101 1.008 -5.980 -0.188 1.00 1.32 H new ATOM 0 HG23 VAL A 101 0.617 -4.724 -1.387 1.00 1.32 H new ATOM 1602 N ALA A 102 -1.214 -5.393 0.901 1.00 0.37 N ATOM 1603 CA ALA A 102 -2.446 -5.988 0.411 1.00 0.39 C ATOM 1604 C ALA A 102 -3.631 -5.186 0.909 1.00 0.35 C ATOM 1605 O ALA A 102 -4.520 -4.817 0.141 1.00 0.34 O ATOM 1606 CB ALA A 102 -2.560 -7.430 0.868 1.00 0.44 C ATOM 0 H ALA A 102 -0.698 -5.970 1.565 1.00 0.37 H new ATOM 0 HA ALA A 102 -2.435 -5.975 -0.679 1.00 0.39 H new ATOM 0 HB1 ALA A 102 -3.489 -7.859 0.491 1.00 0.44 H new ATOM 0 HB2 ALA A 102 -1.715 -8.001 0.484 1.00 0.44 H new ATOM 0 HB3 ALA A 102 -2.559 -7.468 1.957 1.00 0.44 H new ATOM 1612 N PHE A 103 -3.601 -4.909 2.206 1.00 0.35 N ATOM 1613 CA PHE A 103 -4.624 -4.123 2.876 1.00 0.34 C ATOM 1614 C PHE A 103 -4.900 -2.809 2.150 1.00 0.31 C ATOM 1615 O PHE A 103 -6.044 -2.499 1.816 1.00 0.32 O ATOM 1616 CB PHE A 103 -4.183 -3.846 4.317 1.00 0.36 C ATOM 1617 CG PHE A 103 -4.989 -2.789 5.006 1.00 0.62 C ATOM 1618 CD1 PHE A 103 -6.305 -3.032 5.363 1.00 0.67 C ATOM 1619 CD2 PHE A 103 -4.434 -1.559 5.306 1.00 1.03 C ATOM 1620 CE1 PHE A 103 -7.051 -2.067 6.004 1.00 1.09 C ATOM 1621 CE2 PHE A 103 -5.175 -0.591 5.946 1.00 1.48 C ATOM 1622 CZ PHE A 103 -6.477 -0.822 6.270 1.00 1.49 C ATOM 0 H PHE A 103 -2.857 -5.228 2.827 1.00 0.35 H new ATOM 0 HA PHE A 103 -5.551 -4.696 2.871 1.00 0.34 H new ATOM 0 HB2 PHE A 103 -4.249 -4.771 4.891 1.00 0.36 H new ATOM 0 HB3 PHE A 103 -3.135 -3.546 4.315 1.00 0.36 H new ATOM 0 HD1 PHE A 103 -6.752 -3.989 5.136 1.00 0.67 H new ATOM 0 HD2 PHE A 103 -3.408 -1.355 5.036 1.00 1.03 H new ATOM 0 HE1 PHE A 103 -8.070 -2.272 6.298 1.00 1.09 H new ATOM 0 HE2 PHE A 103 -4.721 0.357 6.192 1.00 1.48 H new ATOM 0 HZ PHE A 103 -7.065 -0.043 6.732 1.00 1.49 H new ATOM 1632 N PHE A 104 -3.857 -2.040 1.899 1.00 0.33 N ATOM 1633 CA PHE A 104 -4.038 -0.728 1.311 1.00 0.40 C ATOM 1634 C PHE A 104 -4.246 -0.827 -0.206 1.00 0.39 C ATOM 1635 O PHE A 104 -4.799 0.083 -0.822 1.00 0.47 O ATOM 1636 CB PHE A 104 -2.857 0.185 1.677 1.00 0.56 C ATOM 1637 CG PHE A 104 -1.820 0.345 0.607 1.00 0.97 C ATOM 1638 CD1 PHE A 104 -1.085 -0.735 0.160 1.00 1.47 C ATOM 1639 CD2 PHE A 104 -1.580 1.586 0.053 1.00 1.79 C ATOM 1640 CE1 PHE A 104 -0.134 -0.583 -0.823 1.00 2.61 C ATOM 1641 CE2 PHE A 104 -0.627 1.747 -0.928 1.00 2.90 C ATOM 1642 CZ PHE A 104 0.095 0.661 -1.368 1.00 3.29 C ATOM 0 H PHE A 104 -2.889 -2.297 2.090 1.00 0.33 H new ATOM 0 HA PHE A 104 -4.942 -0.279 1.722 1.00 0.40 H new ATOM 0 HB2 PHE A 104 -3.246 1.170 1.934 1.00 0.56 H new ATOM 0 HB3 PHE A 104 -2.376 -0.211 2.571 1.00 0.56 H new ATOM 0 HD1 PHE A 104 -1.259 -1.712 0.587 1.00 1.47 H new ATOM 0 HD2 PHE A 104 -2.146 2.441 0.393 1.00 1.79 H new ATOM 0 HE1 PHE A 104 0.431 -1.437 -1.166 1.00 2.61 H new ATOM 0 HE2 PHE A 104 -0.446 2.724 -1.351 1.00 2.90 H new ATOM 0 HZ PHE A 104 0.840 0.784 -2.140 1.00 3.29 H new ATOM 1652 N SER A 105 -3.830 -1.946 -0.796 1.00 0.37 N ATOM 1653 CA SER A 105 -3.990 -2.153 -2.229 1.00 0.44 C ATOM 1654 C SER A 105 -5.442 -2.472 -2.560 1.00 0.40 C ATOM 1655 O SER A 105 -6.057 -1.805 -3.394 1.00 0.45 O ATOM 1656 CB SER A 105 -3.072 -3.272 -2.732 1.00 0.50 C ATOM 1657 OG SER A 105 -3.144 -3.408 -4.141 1.00 1.19 O ATOM 0 H SER A 105 -3.382 -2.719 -0.304 1.00 0.37 H new ATOM 0 HA SER A 105 -3.707 -1.230 -2.736 1.00 0.44 H new ATOM 0 HB2 SER A 105 -2.044 -3.061 -2.438 1.00 0.50 H new ATOM 0 HB3 SER A 105 -3.352 -4.214 -2.260 1.00 0.50 H new ATOM 0 HG SER A 105 -2.238 -3.467 -4.511 1.00 1.19 H new ATOM 1663 N PHE A 106 -6.009 -3.472 -1.884 1.00 0.35 N ATOM 1664 CA PHE A 106 -7.393 -3.846 -2.130 1.00 0.37 C ATOM 1665 C PHE A 106 -8.316 -2.735 -1.647 1.00 0.31 C ATOM 1666 O PHE A 106 -9.447 -2.633 -2.084 1.00 0.30 O ATOM 1667 CB PHE A 106 -7.752 -5.186 -1.459 1.00 0.46 C ATOM 1668 CG PHE A 106 -8.286 -5.064 -0.057 1.00 0.99 C ATOM 1669 CD1 PHE A 106 -9.646 -4.913 0.169 1.00 1.64 C ATOM 1670 CD2 PHE A 106 -7.434 -5.099 1.030 1.00 1.56 C ATOM 1671 CE1 PHE A 106 -10.141 -4.796 1.450 1.00 2.53 C ATOM 1672 CE2 PHE A 106 -7.924 -4.983 2.315 1.00 2.46 C ATOM 1673 CZ PHE A 106 -9.277 -4.831 2.525 1.00 2.89 C ATOM 0 H PHE A 106 -5.535 -4.028 -1.172 1.00 0.35 H new ATOM 0 HA PHE A 106 -7.524 -3.982 -3.203 1.00 0.37 H new ATOM 0 HB2 PHE A 106 -8.494 -5.697 -2.073 1.00 0.46 H new ATOM 0 HB3 PHE A 106 -6.864 -5.817 -1.441 1.00 0.46 H new ATOM 0 HD1 PHE A 106 -10.326 -4.887 -0.670 1.00 1.64 H new ATOM 0 HD2 PHE A 106 -6.372 -5.219 0.872 1.00 1.56 H new ATOM 0 HE1 PHE A 106 -11.202 -4.677 1.612 1.00 2.53 H new ATOM 0 HE2 PHE A 106 -7.247 -5.011 3.156 1.00 2.46 H new ATOM 0 HZ PHE A 106 -9.661 -4.739 3.530 1.00 2.89 H new ATOM 1683 N GLY A 107 -7.819 -1.905 -0.731 1.00 0.30 N ATOM 1684 CA GLY A 107 -8.578 -0.749 -0.289 1.00 0.28 C ATOM 1685 C GLY A 107 -8.572 0.351 -1.331 1.00 0.24 C ATOM 1686 O GLY A 107 -9.591 0.998 -1.570 1.00 0.27 O ATOM 0 H GLY A 107 -6.906 -2.013 -0.289 1.00 0.30 H new ATOM 0 HA2 GLY A 107 -9.605 -1.046 -0.078 1.00 0.28 H new ATOM 0 HA3 GLY A 107 -8.158 -0.371 0.643 1.00 0.28 H new ATOM 1690 N GLY A 108 -7.418 0.564 -1.953 1.00 0.23 N ATOM 1691 CA GLY A 108 -7.334 1.505 -3.051 1.00 0.22 C ATOM 1692 C GLY A 108 -8.165 1.040 -4.225 1.00 0.22 C ATOM 1693 O GLY A 108 -8.744 1.844 -4.956 1.00 0.23 O ATOM 0 H GLY A 108 -6.540 0.102 -1.716 1.00 0.23 H new ATOM 0 HA2 GLY A 108 -7.679 2.485 -2.722 1.00 0.22 H new ATOM 0 HA3 GLY A 108 -6.295 1.619 -3.359 1.00 0.22 H new ATOM 1697 N ALA A 109 -8.221 -0.272 -4.401 1.00 0.24 N ATOM 1698 CA ALA A 109 -9.079 -0.873 -5.401 1.00 0.26 C ATOM 1699 C ALA A 109 -10.530 -0.860 -4.935 1.00 0.27 C ATOM 1700 O ALA A 109 -11.440 -0.761 -5.751 1.00 0.31 O ATOM 1701 CB ALA A 109 -8.626 -2.290 -5.707 1.00 0.29 C ATOM 0 H ALA A 109 -7.676 -0.942 -3.858 1.00 0.24 H new ATOM 0 HA ALA A 109 -9.008 -0.286 -6.317 1.00 0.26 H new ATOM 0 HB1 ALA A 109 -9.282 -2.727 -6.460 1.00 0.29 H new ATOM 0 HB2 ALA A 109 -7.603 -2.272 -6.083 1.00 0.29 H new ATOM 0 HB3 ALA A 109 -8.668 -2.890 -4.798 1.00 0.29 H new ATOM 1707 N LEU A 110 -10.728 -0.912 -3.616 1.00 0.25 N ATOM 1708 CA LEU A 110 -12.067 -0.909 -3.019 1.00 0.28 C ATOM 1709 C LEU A 110 -12.728 0.399 -3.378 1.00 0.24 C ATOM 1710 O LEU A 110 -13.923 0.470 -3.683 1.00 0.24 O ATOM 1711 CB LEU A 110 -11.973 -1.029 -1.494 1.00 0.32 C ATOM 1712 CG LEU A 110 -13.073 -1.850 -0.805 1.00 0.45 C ATOM 1713 CD1 LEU A 110 -14.456 -1.298 -1.104 1.00 1.11 C ATOM 1714 CD2 LEU A 110 -12.980 -3.314 -1.210 1.00 1.12 C ATOM 0 H LEU A 110 -9.970 -0.957 -2.935 1.00 0.25 H new ATOM 0 HA LEU A 110 -12.644 -1.754 -3.395 1.00 0.28 H new ATOM 0 HB2 LEU A 110 -11.009 -1.472 -1.245 1.00 0.32 H new ATOM 0 HB3 LEU A 110 -11.981 -0.024 -1.071 1.00 0.32 H new ATOM 0 HG LEU A 110 -12.916 -1.774 0.271 1.00 0.45 H new ATOM 0 HD11 LEU A 110 -15.207 -1.905 -0.599 1.00 1.11 H new ATOM 0 HD12 LEU A 110 -14.522 -0.270 -0.749 1.00 1.11 H new ATOM 0 HD13 LEU A 110 -14.633 -1.322 -2.179 1.00 1.11 H new ATOM 0 HD21 LEU A 110 -13.767 -3.880 -0.712 1.00 1.12 H new ATOM 0 HD22 LEU A 110 -13.098 -3.401 -2.290 1.00 1.12 H new ATOM 0 HD23 LEU A 110 -12.008 -3.711 -0.918 1.00 1.12 H new ATOM 1726 N CYS A 111 -11.905 1.433 -3.330 1.00 0.21 N ATOM 1727 CA CYS A 111 -12.271 2.745 -3.795 1.00 0.19 C ATOM 1728 C CYS A 111 -12.889 2.640 -5.176 1.00 0.20 C ATOM 1729 O CYS A 111 -14.063 2.952 -5.358 1.00 0.26 O ATOM 1730 CB CYS A 111 -11.017 3.616 -3.816 1.00 0.20 C ATOM 1731 SG CYS A 111 -11.246 5.264 -4.485 1.00 0.22 S ATOM 0 H CYS A 111 -10.955 1.377 -2.962 1.00 0.21 H new ATOM 0 HA CYS A 111 -13.008 3.198 -3.132 1.00 0.19 H new ATOM 0 HB2 CYS A 111 -10.637 3.704 -2.798 1.00 0.20 H new ATOM 0 HB3 CYS A 111 -10.250 3.107 -4.400 1.00 0.20 H new ATOM 0 HG CYS A 111 -10.318 6.051 -4.027 1.00 0.22 H new ATOM 1737 N VAL A 112 -12.120 2.124 -6.129 1.00 0.20 N ATOM 1738 CA VAL A 112 -12.590 1.995 -7.500 1.00 0.22 C ATOM 1739 C VAL A 112 -13.732 0.989 -7.617 1.00 0.22 C ATOM 1740 O VAL A 112 -14.602 1.163 -8.453 1.00 0.26 O ATOM 1741 CB VAL A 112 -11.471 1.592 -8.472 1.00 0.26 C ATOM 1742 CG1 VAL A 112 -12.020 1.564 -9.886 1.00 0.35 C ATOM 1743 CG2 VAL A 112 -10.285 2.539 -8.374 1.00 0.27 C ATOM 0 H VAL A 112 -11.169 1.789 -5.975 1.00 0.20 H new ATOM 0 HA VAL A 112 -12.951 2.986 -7.777 1.00 0.22 H new ATOM 0 HB VAL A 112 -11.115 0.598 -8.203 1.00 0.26 H new ATOM 0 HG11 VAL A 112 -11.228 1.278 -10.578 1.00 0.35 H new ATOM 0 HG12 VAL A 112 -12.833 0.841 -9.946 1.00 0.35 H new ATOM 0 HG13 VAL A 112 -12.394 2.553 -10.151 1.00 0.35 H new ATOM 0 HG21 VAL A 112 -9.511 2.226 -9.074 1.00 0.27 H new ATOM 0 HG22 VAL A 112 -10.607 3.552 -8.617 1.00 0.27 H new ATOM 0 HG23 VAL A 112 -9.886 2.519 -7.360 1.00 0.27 H new ATOM 1753 N GLU A 113 -13.749 -0.046 -6.780 1.00 0.23 N ATOM 1754 CA GLU A 113 -14.859 -1.003 -6.786 1.00 0.28 C ATOM 1755 C GLU A 113 -16.177 -0.285 -6.537 1.00 0.23 C ATOM 1756 O GLU A 113 -17.245 -0.769 -6.912 1.00 0.29 O ATOM 1757 CB GLU A 113 -14.652 -2.119 -5.749 1.00 0.40 C ATOM 1758 CG GLU A 113 -13.615 -3.152 -6.165 1.00 0.53 C ATOM 1759 CD GLU A 113 -13.082 -3.984 -5.017 1.00 1.86 C ATOM 1760 OE1 GLU A 113 -13.711 -5.004 -4.675 1.00 2.34 O ATOM 1761 OE2 GLU A 113 -12.046 -3.602 -4.433 1.00 2.51 O ATOM 0 H GLU A 113 -13.018 -0.244 -6.096 1.00 0.23 H new ATOM 0 HA GLU A 113 -14.889 -1.469 -7.771 1.00 0.28 H new ATOM 0 HB2 GLU A 113 -14.348 -1.672 -4.802 1.00 0.40 H new ATOM 0 HB3 GLU A 113 -15.603 -2.622 -5.573 1.00 0.40 H new ATOM 0 HG2 GLU A 113 -14.056 -3.816 -6.908 1.00 0.53 H new ATOM 0 HG3 GLU A 113 -12.782 -2.642 -6.648 1.00 0.53 H new ATOM 1768 N SER A 114 -16.087 0.899 -5.956 1.00 0.18 N ATOM 1769 CA SER A 114 -17.250 1.694 -5.668 1.00 0.19 C ATOM 1770 C SER A 114 -17.536 2.572 -6.861 1.00 0.22 C ATOM 1771 O SER A 114 -18.658 2.649 -7.346 1.00 0.28 O ATOM 1772 CB SER A 114 -16.990 2.539 -4.427 1.00 0.18 C ATOM 1773 OG SER A 114 -16.672 1.716 -3.318 1.00 0.20 O ATOM 0 H SER A 114 -15.205 1.328 -5.675 1.00 0.18 H new ATOM 0 HA SER A 114 -18.113 1.056 -5.475 1.00 0.19 H new ATOM 0 HB2 SER A 114 -16.171 3.232 -4.618 1.00 0.18 H new ATOM 0 HB3 SER A 114 -17.870 3.140 -4.199 1.00 0.18 H new ATOM 0 HG SER A 114 -15.779 1.332 -3.441 1.00 0.20 H new ATOM 1779 N VAL A 115 -16.482 3.171 -7.379 1.00 0.21 N ATOM 1780 CA VAL A 115 -16.591 4.089 -8.479 1.00 0.27 C ATOM 1781 C VAL A 115 -17.013 3.337 -9.732 1.00 0.28 C ATOM 1782 O VAL A 115 -17.665 3.873 -10.625 1.00 0.31 O ATOM 1783 CB VAL A 115 -15.264 4.822 -8.705 1.00 0.34 C ATOM 1784 CG1 VAL A 115 -14.333 4.689 -7.545 1.00 1.23 C ATOM 1785 CG2 VAL A 115 -14.614 4.441 -9.998 1.00 1.10 C ATOM 0 H VAL A 115 -15.529 3.030 -7.044 1.00 0.21 H new ATOM 0 HA VAL A 115 -17.349 4.836 -8.244 1.00 0.27 H new ATOM 0 HB VAL A 115 -15.511 5.881 -8.783 1.00 0.34 H new ATOM 0 HG11 VAL A 115 -13.409 5.226 -7.757 1.00 1.23 H new ATOM 0 HG12 VAL A 115 -14.800 5.108 -6.654 1.00 1.23 H new ATOM 0 HG13 VAL A 115 -14.110 3.635 -7.377 1.00 1.23 H new ATOM 0 HG21 VAL A 115 -13.678 4.988 -10.110 1.00 1.10 H new ATOM 0 HG22 VAL A 115 -14.411 3.370 -10.002 1.00 1.10 H new ATOM 0 HG23 VAL A 115 -15.279 4.687 -10.826 1.00 1.10 H new ATOM 1795 N ASP A 116 -16.614 2.085 -9.748 1.00 0.28 N ATOM 1796 CA ASP A 116 -16.952 1.115 -10.780 1.00 0.34 C ATOM 1797 C ASP A 116 -18.453 1.068 -11.019 1.00 0.35 C ATOM 1798 O ASP A 116 -18.920 1.175 -12.150 1.00 0.41 O ATOM 1799 CB ASP A 116 -16.461 -0.253 -10.315 1.00 0.37 C ATOM 1800 CG ASP A 116 -16.535 -1.321 -11.388 1.00 0.48 C ATOM 1801 OD1 ASP A 116 -15.752 -1.247 -12.360 1.00 0.60 O ATOM 1802 OD2 ASP A 116 -17.342 -2.265 -11.246 1.00 0.60 O ATOM 0 H ASP A 116 -16.021 1.694 -9.016 1.00 0.28 H new ATOM 0 HA ASP A 116 -16.477 1.401 -11.718 1.00 0.34 H new ATOM 0 HB2 ASP A 116 -15.430 -0.163 -9.974 1.00 0.37 H new ATOM 0 HB3 ASP A 116 -17.054 -0.570 -9.457 1.00 0.37 H new ATOM 1807 N LYS A 117 -19.203 0.926 -9.936 1.00 0.32 N ATOM 1808 CA LYS A 117 -20.659 0.896 -10.002 1.00 0.35 C ATOM 1809 C LYS A 117 -21.208 2.319 -9.960 1.00 0.34 C ATOM 1810 O LYS A 117 -22.404 2.533 -9.755 1.00 0.37 O ATOM 1811 CB LYS A 117 -21.225 0.091 -8.828 1.00 0.37 C ATOM 1812 CG LYS A 117 -20.283 -0.983 -8.292 1.00 0.36 C ATOM 1813 CD LYS A 117 -19.909 -1.997 -9.353 1.00 0.45 C ATOM 1814 CE LYS A 117 -19.137 -3.160 -8.759 1.00 0.61 C ATOM 1815 NZ LYS A 117 -18.692 -4.115 -9.807 1.00 1.62 N ATOM 0 H LYS A 117 -18.825 0.829 -8.994 1.00 0.32 H new ATOM 0 HA LYS A 117 -20.959 0.420 -10.936 1.00 0.35 H new ATOM 0 HB2 LYS A 117 -21.473 0.777 -8.018 1.00 0.37 H new ATOM 0 HB3 LYS A 117 -22.156 -0.382 -9.142 1.00 0.37 H new ATOM 0 HG2 LYS A 117 -19.379 -0.512 -7.907 1.00 0.36 H new ATOM 0 HG3 LYS A 117 -20.757 -1.494 -7.454 1.00 0.36 H new ATOM 0 HD2 LYS A 117 -20.812 -2.368 -9.839 1.00 0.45 H new ATOM 0 HD3 LYS A 117 -19.308 -1.515 -10.124 1.00 0.45 H new ATOM 0 HE2 LYS A 117 -18.269 -2.783 -8.218 1.00 0.61 H new ATOM 0 HE3 LYS A 117 -19.763 -3.680 -8.034 1.00 0.61 H new ATOM 0 HZ1 LYS A 117 -18.212 -4.922 -9.360 1.00 1.62 H new ATOM 0 HZ2 LYS A 117 -19.518 -4.455 -10.340 1.00 1.62 H new ATOM 0 HZ3 LYS A 117 -18.034 -3.637 -10.455 1.00 1.62 H new ATOM 1829 N GLU A 118 -20.310 3.278 -10.158 1.00 0.31 N ATOM 1830 CA GLU A 118 -20.628 4.698 -10.106 1.00 0.33 C ATOM 1831 C GLU A 118 -21.087 5.091 -8.714 1.00 0.31 C ATOM 1832 O GLU A 118 -22.157 5.663 -8.518 1.00 0.38 O ATOM 1833 CB GLU A 118 -21.650 5.083 -11.157 1.00 0.40 C ATOM 1834 CG GLU A 118 -21.087 4.976 -12.554 1.00 0.49 C ATOM 1835 CD GLU A 118 -20.011 5.993 -12.855 1.00 1.12 C ATOM 1836 OE1 GLU A 118 -20.348 7.148 -13.190 1.00 1.07 O ATOM 1837 OE2 GLU A 118 -18.816 5.647 -12.739 1.00 1.88 O ATOM 0 H GLU A 118 -19.329 3.087 -10.362 1.00 0.31 H new ATOM 0 HA GLU A 118 -19.717 5.253 -10.332 1.00 0.33 H new ATOM 0 HB2 GLU A 118 -22.524 4.438 -11.067 1.00 0.40 H new ATOM 0 HB3 GLU A 118 -21.988 6.104 -10.979 1.00 0.40 H new ATOM 0 HG2 GLU A 118 -20.679 3.975 -12.696 1.00 0.49 H new ATOM 0 HG3 GLU A 118 -21.898 5.094 -13.273 1.00 0.49 H new ATOM 1844 N MET A 119 -20.251 4.752 -7.754 1.00 0.26 N ATOM 1845 CA MET A 119 -20.492 5.047 -6.354 1.00 0.26 C ATOM 1846 C MET A 119 -19.221 5.648 -5.791 1.00 0.25 C ATOM 1847 O MET A 119 -18.801 5.341 -4.679 1.00 0.23 O ATOM 1848 CB MET A 119 -20.849 3.769 -5.589 1.00 0.25 C ATOM 1849 CG MET A 119 -22.002 2.988 -6.191 1.00 0.28 C ATOM 1850 SD MET A 119 -22.242 1.397 -5.384 1.00 0.31 S ATOM 1851 CE MET A 119 -20.566 0.761 -5.415 1.00 0.29 C ATOM 0 H MET A 119 -19.375 4.258 -7.925 1.00 0.26 H new ATOM 0 HA MET A 119 -21.327 5.740 -6.253 1.00 0.26 H new ATOM 0 HB2 MET A 119 -19.970 3.125 -5.548 1.00 0.25 H new ATOM 0 HB3 MET A 119 -21.100 4.032 -4.561 1.00 0.25 H new ATOM 0 HG2 MET A 119 -22.917 3.575 -6.111 1.00 0.28 H new ATOM 0 HG3 MET A 119 -21.816 2.830 -7.253 1.00 0.28 H new ATOM 0 HE1 MET A 119 -20.590 -0.329 -5.415 1.00 0.29 H new ATOM 0 HE2 MET A 119 -20.060 1.113 -6.314 1.00 0.29 H new ATOM 0 HE3 MET A 119 -20.027 1.111 -4.535 1.00 0.29 H new ATOM 1861 N GLN A 120 -18.599 6.492 -6.605 1.00 0.31 N ATOM 1862 CA GLN A 120 -17.348 7.155 -6.273 1.00 0.31 C ATOM 1863 C GLN A 120 -17.400 7.914 -4.927 1.00 0.32 C ATOM 1864 O GLN A 120 -16.393 8.438 -4.471 1.00 0.33 O ATOM 1865 CB GLN A 120 -16.975 8.104 -7.406 1.00 0.36 C ATOM 1866 CG GLN A 120 -17.228 7.514 -8.785 1.00 0.36 C ATOM 1867 CD GLN A 120 -18.478 8.069 -9.448 1.00 0.58 C ATOM 1868 OE1 GLN A 120 -19.074 7.296 -10.350 1.00 1.15 O flip ATOM 1869 NE2 GLN A 120 -18.890 9.194 -9.173 1.00 0.55 N flip ATOM 0 H GLN A 120 -18.957 6.738 -7.528 1.00 0.31 H new ATOM 0 HA GLN A 120 -16.587 6.384 -6.155 1.00 0.31 H new ATOM 0 HB2 GLN A 120 -17.546 9.027 -7.302 1.00 0.36 H new ATOM 0 HB3 GLN A 120 -15.921 8.369 -7.318 1.00 0.36 H new ATOM 0 HG2 GLN A 120 -16.367 7.712 -9.423 1.00 0.36 H new ATOM 0 HG3 GLN A 120 -17.319 6.431 -8.700 1.00 0.36 H new ATOM 0 HE21 GLN A 120 -18.406 9.758 -8.475 1.00 0.55 H new ATOM 0 HE22 GLN A 120 -19.716 9.564 -9.643 1.00 0.55 H new ATOM 1878 N VAL A 121 -18.571 8.001 -4.307 1.00 0.32 N ATOM 1879 CA VAL A 121 -18.690 8.618 -2.986 1.00 0.35 C ATOM 1880 C VAL A 121 -17.991 7.785 -1.896 1.00 0.31 C ATOM 1881 O VAL A 121 -17.508 8.333 -0.903 1.00 0.36 O ATOM 1882 CB VAL A 121 -20.166 8.841 -2.594 1.00 0.39 C ATOM 1883 CG1 VAL A 121 -20.806 9.890 -3.491 1.00 0.46 C ATOM 1884 CG2 VAL A 121 -20.943 7.535 -2.660 1.00 0.38 C ATOM 0 H VAL A 121 -19.449 7.655 -4.693 1.00 0.32 H new ATOM 0 HA VAL A 121 -18.192 9.585 -3.056 1.00 0.35 H new ATOM 0 HB VAL A 121 -20.195 9.204 -1.567 1.00 0.39 H new ATOM 0 HG11 VAL A 121 -21.846 10.033 -3.199 1.00 0.46 H new ATOM 0 HG12 VAL A 121 -20.268 10.833 -3.390 1.00 0.46 H new ATOM 0 HG13 VAL A 121 -20.763 9.557 -4.528 1.00 0.46 H new ATOM 0 HG21 VAL A 121 -21.981 7.715 -2.380 1.00 0.38 H new ATOM 0 HG22 VAL A 121 -20.904 7.139 -3.675 1.00 0.38 H new ATOM 0 HG23 VAL A 121 -20.501 6.814 -1.972 1.00 0.38 H new ATOM 1894 N LEU A 122 -17.924 6.464 -2.092 1.00 0.24 N ATOM 1895 CA LEU A 122 -17.258 5.561 -1.140 1.00 0.21 C ATOM 1896 C LEU A 122 -15.778 5.856 -1.086 1.00 0.19 C ATOM 1897 O LEU A 122 -15.123 5.626 -0.072 1.00 0.19 O ATOM 1898 CB LEU A 122 -17.434 4.095 -1.546 1.00 0.18 C ATOM 1899 CG LEU A 122 -18.801 3.470 -1.279 1.00 0.22 C ATOM 1900 CD1 LEU A 122 -19.169 3.643 0.175 1.00 0.26 C ATOM 1901 CD2 LEU A 122 -19.864 4.062 -2.186 1.00 0.22 C ATOM 0 H LEU A 122 -18.324 5.993 -2.903 1.00 0.24 H new ATOM 0 HA LEU A 122 -17.717 5.726 -0.165 1.00 0.21 H new ATOM 0 HB2 LEU A 122 -17.223 4.009 -2.612 1.00 0.18 H new ATOM 0 HB3 LEU A 122 -16.682 3.504 -1.023 1.00 0.18 H new ATOM 0 HG LEU A 122 -18.744 2.404 -1.501 1.00 0.22 H new ATOM 0 HD11 LEU A 122 -20.145 3.195 0.359 1.00 0.26 H new ATOM 0 HD12 LEU A 122 -18.422 3.154 0.800 1.00 0.26 H new ATOM 0 HD13 LEU A 122 -19.206 4.705 0.417 1.00 0.26 H new ATOM 0 HD21 LEU A 122 -20.826 3.596 -1.971 1.00 0.22 H new ATOM 0 HD22 LEU A 122 -19.934 5.136 -2.012 1.00 0.22 H new ATOM 0 HD23 LEU A 122 -19.597 3.880 -3.227 1.00 0.22 H new ATOM 1913 N VAL A 123 -15.285 6.376 -2.195 1.00 0.19 N ATOM 1914 CA VAL A 123 -13.878 6.680 -2.384 1.00 0.20 C ATOM 1915 C VAL A 123 -13.268 7.367 -1.164 1.00 0.22 C ATOM 1916 O VAL A 123 -12.196 6.985 -0.694 1.00 0.25 O ATOM 1917 CB VAL A 123 -13.727 7.564 -3.635 1.00 0.22 C ATOM 1918 CG1 VAL A 123 -12.347 8.199 -3.719 1.00 0.23 C ATOM 1919 CG2 VAL A 123 -14.037 6.735 -4.880 1.00 0.23 C ATOM 0 H VAL A 123 -15.862 6.603 -3.005 1.00 0.19 H new ATOM 0 HA VAL A 123 -13.336 5.744 -2.518 1.00 0.20 H new ATOM 0 HB VAL A 123 -14.439 8.386 -3.567 1.00 0.22 H new ATOM 0 HG11 VAL A 123 -12.284 8.814 -4.617 1.00 0.23 H new ATOM 0 HG12 VAL A 123 -12.179 8.821 -2.840 1.00 0.23 H new ATOM 0 HG13 VAL A 123 -11.589 7.417 -3.761 1.00 0.23 H new ATOM 0 HG21 VAL A 123 -13.931 7.358 -5.768 1.00 0.23 H new ATOM 0 HG22 VAL A 123 -13.344 5.896 -4.941 1.00 0.23 H new ATOM 0 HG23 VAL A 123 -15.058 6.358 -4.821 1.00 0.23 H new ATOM 1929 N SER A 124 -13.963 8.358 -0.643 1.00 0.24 N ATOM 1930 CA SER A 124 -13.473 9.105 0.500 1.00 0.28 C ATOM 1931 C SER A 124 -13.577 8.297 1.790 1.00 0.27 C ATOM 1932 O SER A 124 -12.638 8.269 2.588 1.00 0.33 O ATOM 1933 CB SER A 124 -14.258 10.406 0.647 1.00 0.36 C ATOM 1934 OG SER A 124 -13.698 11.231 1.654 1.00 1.35 O ATOM 0 H SER A 124 -14.870 8.666 -0.993 1.00 0.24 H new ATOM 0 HA SER A 124 -12.420 9.325 0.324 1.00 0.28 H new ATOM 0 HB2 SER A 124 -14.263 10.940 -0.303 1.00 0.36 H new ATOM 0 HB3 SER A 124 -15.296 10.182 0.892 1.00 0.36 H new ATOM 0 HG SER A 124 -14.114 11.023 2.516 1.00 1.35 H new ATOM 1940 N ARG A 125 -14.699 7.616 1.983 1.00 0.23 N ATOM 1941 CA ARG A 125 -14.981 6.994 3.255 1.00 0.23 C ATOM 1942 C ARG A 125 -14.083 5.772 3.458 1.00 0.21 C ATOM 1943 O ARG A 125 -13.623 5.513 4.565 1.00 0.25 O ATOM 1944 CB ARG A 125 -16.461 6.643 3.347 1.00 0.28 C ATOM 1945 CG ARG A 125 -16.784 5.331 2.731 1.00 0.55 C ATOM 1946 CD ARG A 125 -18.268 5.027 2.801 1.00 0.55 C ATOM 1947 NE ARG A 125 -18.836 5.213 4.135 1.00 1.44 N ATOM 1948 CZ ARG A 125 -20.148 5.294 4.372 1.00 1.65 C ATOM 1949 NH1 ARG A 125 -21.003 5.364 3.359 1.00 1.06 N ATOM 1950 NH2 ARG A 125 -20.604 5.348 5.618 1.00 2.67 N ATOM 0 H ARG A 125 -15.421 7.485 1.274 1.00 0.23 H new ATOM 0 HA ARG A 125 -14.760 7.694 4.060 1.00 0.23 H new ATOM 0 HB2 ARG A 125 -16.762 6.630 4.395 1.00 0.28 H new ATOM 0 HB3 ARG A 125 -17.045 7.422 2.857 1.00 0.28 H new ATOM 0 HG2 ARG A 125 -16.461 5.329 1.690 1.00 0.55 H new ATOM 0 HG3 ARG A 125 -16.227 4.544 3.239 1.00 0.55 H new ATOM 0 HD2 ARG A 125 -18.797 5.669 2.096 1.00 0.55 H new ATOM 0 HD3 ARG A 125 -18.436 3.998 2.483 1.00 0.55 H new ATOM 0 HE ARG A 125 -18.197 5.285 4.927 1.00 1.44 H new ATOM 0 HH11 ARG A 125 -20.658 5.356 2.399 1.00 1.06 H new ATOM 0 HH12 ARG A 125 -22.005 5.426 3.541 1.00 1.06 H new ATOM 0 HH21 ARG A 125 -19.951 5.328 6.401 1.00 2.67 H new ATOM 0 HH22 ARG A 125 -21.607 5.410 5.792 1.00 2.67 H new ATOM 1964 N ILE A 126 -13.820 5.038 2.378 1.00 0.19 N ATOM 1965 CA ILE A 126 -12.886 3.913 2.419 1.00 0.19 C ATOM 1966 C ILE A 126 -11.517 4.346 2.943 1.00 0.20 C ATOM 1967 O ILE A 126 -10.973 3.718 3.852 1.00 0.23 O ATOM 1968 CB ILE A 126 -12.725 3.272 1.026 1.00 0.19 C ATOM 1969 CG1 ILE A 126 -14.092 2.788 0.537 1.00 0.18 C ATOM 1970 CG2 ILE A 126 -11.724 2.120 1.071 1.00 0.22 C ATOM 1971 CD1 ILE A 126 -14.097 2.289 -0.885 1.00 0.18 C ATOM 0 H ILE A 126 -14.240 5.202 1.463 1.00 0.19 H new ATOM 0 HA ILE A 126 -13.306 3.174 3.102 1.00 0.19 H new ATOM 0 HB ILE A 126 -12.337 4.015 0.330 1.00 0.19 H new ATOM 0 HG12 ILE A 126 -14.438 1.988 1.192 1.00 0.18 H new ATOM 0 HG13 ILE A 126 -14.808 3.605 0.626 1.00 0.18 H new ATOM 0 HG21 ILE A 126 -11.627 1.683 0.077 1.00 0.22 H new ATOM 0 HG22 ILE A 126 -10.754 2.493 1.400 1.00 0.22 H new ATOM 0 HG23 ILE A 126 -12.075 1.360 1.769 1.00 0.22 H new ATOM 0 HD11 ILE A 126 -15.103 1.965 -1.153 1.00 0.18 H new ATOM 0 HD12 ILE A 126 -13.784 3.091 -1.553 1.00 0.18 H new ATOM 0 HD13 ILE A 126 -13.408 1.449 -0.978 1.00 0.18 H new ATOM 1983 N ALA A 127 -10.974 5.427 2.383 1.00 0.21 N ATOM 1984 CA ALA A 127 -9.655 5.916 2.778 1.00 0.24 C ATOM 1985 C ALA A 127 -9.602 6.239 4.270 1.00 0.24 C ATOM 1986 O ALA A 127 -8.551 6.121 4.904 1.00 0.29 O ATOM 1987 CB ALA A 127 -9.276 7.135 1.956 1.00 0.27 C ATOM 0 H ALA A 127 -11.427 5.980 1.655 1.00 0.21 H new ATOM 0 HA ALA A 127 -8.933 5.122 2.585 1.00 0.24 H new ATOM 0 HB1 ALA A 127 -8.291 7.488 2.262 1.00 0.27 H new ATOM 0 HB2 ALA A 127 -9.254 6.869 0.899 1.00 0.27 H new ATOM 0 HB3 ALA A 127 -10.010 7.925 2.116 1.00 0.27 H new ATOM 1993 N ALA A 128 -10.741 6.646 4.820 1.00 0.21 N ATOM 1994 CA ALA A 128 -10.861 6.890 6.253 1.00 0.22 C ATOM 1995 C ALA A 128 -10.609 5.611 7.024 1.00 0.23 C ATOM 1996 O ALA A 128 -9.673 5.515 7.820 1.00 0.28 O ATOM 1997 CB ALA A 128 -12.249 7.405 6.589 1.00 0.23 C ATOM 0 H ALA A 128 -11.598 6.814 4.293 1.00 0.21 H new ATOM 0 HA ALA A 128 -10.120 7.639 6.534 1.00 0.22 H new ATOM 0 HB1 ALA A 128 -12.322 7.582 7.662 1.00 0.23 H new ATOM 0 HB2 ALA A 128 -12.430 8.337 6.054 1.00 0.23 H new ATOM 0 HB3 ALA A 128 -12.993 6.666 6.292 1.00 0.23 H new ATOM 2003 N TRP A 129 -11.451 4.628 6.752 1.00 0.25 N ATOM 2004 CA TRP A 129 -11.391 3.345 7.421 1.00 0.35 C ATOM 2005 C TRP A 129 -10.027 2.694 7.234 1.00 0.25 C ATOM 2006 O TRP A 129 -9.462 2.147 8.176 1.00 0.27 O ATOM 2007 CB TRP A 129 -12.485 2.430 6.880 1.00 0.56 C ATOM 2008 CG TRP A 129 -13.872 2.889 7.211 1.00 0.60 C ATOM 2009 CD1 TRP A 129 -14.707 3.606 6.409 1.00 0.49 C ATOM 2010 CD2 TRP A 129 -14.583 2.660 8.430 1.00 1.73 C ATOM 2011 NE1 TRP A 129 -15.890 3.847 7.054 1.00 1.14 N ATOM 2012 CE2 TRP A 129 -15.842 3.275 8.297 1.00 1.99 C ATOM 2013 CE3 TRP A 129 -14.279 1.997 9.623 1.00 2.63 C ATOM 2014 CZ2 TRP A 129 -16.794 3.246 9.311 1.00 3.08 C ATOM 2015 CZ3 TRP A 129 -15.225 1.970 10.627 1.00 3.70 C ATOM 2016 CH2 TRP A 129 -16.470 2.590 10.465 1.00 3.91 C ATOM 0 H TRP A 129 -12.196 4.700 6.059 1.00 0.25 H new ATOM 0 HA TRP A 129 -11.547 3.506 8.488 1.00 0.35 H new ATOM 0 HB2 TRP A 129 -12.384 2.359 5.797 1.00 0.56 H new ATOM 0 HB3 TRP A 129 -12.338 1.427 7.281 1.00 0.56 H new ATOM 0 HD1 TRP A 129 -14.470 3.937 5.409 1.00 0.49 H new ATOM 0 HE1 TRP A 129 -16.679 4.368 6.671 1.00 1.14 H new ATOM 0 HE3 TRP A 129 -13.322 1.515 9.756 1.00 2.63 H new ATOM 0 HZ2 TRP A 129 -17.755 3.725 9.190 1.00 3.08 H new ATOM 0 HZ3 TRP A 129 -15.001 1.462 11.554 1.00 3.70 H new ATOM 0 HH2 TRP A 129 -17.190 2.549 11.269 1.00 3.91 H new ATOM 2027 N MET A 130 -9.491 2.781 6.022 1.00 0.24 N ATOM 2028 CA MET A 130 -8.208 2.166 5.708 1.00 0.26 C ATOM 2029 C MET A 130 -7.100 2.709 6.596 1.00 0.25 C ATOM 2030 O MET A 130 -6.441 1.956 7.314 1.00 0.29 O ATOM 2031 CB MET A 130 -7.846 2.401 4.247 1.00 0.31 C ATOM 2032 CG MET A 130 -8.744 1.671 3.269 1.00 0.29 C ATOM 2033 SD MET A 130 -8.329 2.051 1.562 1.00 1.08 S ATOM 2034 CE MET A 130 -6.624 1.515 1.520 1.00 0.31 C ATOM 0 H MET A 130 -9.926 3.272 5.241 1.00 0.24 H new ATOM 0 HA MET A 130 -8.306 1.096 5.891 1.00 0.26 H new ATOM 0 HB2 MET A 130 -7.891 3.470 4.039 1.00 0.31 H new ATOM 0 HB3 MET A 130 -6.815 2.087 4.083 1.00 0.31 H new ATOM 0 HG2 MET A 130 -8.660 0.597 3.432 1.00 0.29 H new ATOM 0 HG3 MET A 130 -9.783 1.942 3.459 1.00 0.29 H new ATOM 0 HE1 MET A 130 -6.262 1.532 0.492 1.00 0.31 H new ATOM 0 HE2 MET A 130 -6.017 2.184 2.129 1.00 0.31 H new ATOM 0 HE3 MET A 130 -6.552 0.501 1.913 1.00 0.31 H new ATOM 2044 N ALA A 131 -6.903 4.017 6.564 1.00 0.24 N ATOM 2045 CA ALA A 131 -5.829 4.628 7.328 1.00 0.24 C ATOM 2046 C ALA A 131 -6.045 4.430 8.820 1.00 0.24 C ATOM 2047 O ALA A 131 -5.087 4.289 9.577 1.00 0.25 O ATOM 2048 CB ALA A 131 -5.707 6.099 6.993 1.00 0.25 C ATOM 0 H ALA A 131 -7.468 4.671 6.022 1.00 0.24 H new ATOM 0 HA ALA A 131 -4.895 4.137 7.055 1.00 0.24 H new ATOM 0 HB1 ALA A 131 -4.897 6.539 7.575 1.00 0.25 H new ATOM 0 HB2 ALA A 131 -5.494 6.214 5.930 1.00 0.25 H new ATOM 0 HB3 ALA A 131 -6.642 6.605 7.232 1.00 0.25 H new ATOM 2054 N THR A 132 -7.301 4.411 9.239 1.00 0.26 N ATOM 2055 CA THR A 132 -7.629 4.159 10.631 1.00 0.29 C ATOM 2056 C THR A 132 -7.301 2.722 11.031 1.00 0.30 C ATOM 2057 O THR A 132 -6.732 2.477 12.095 1.00 0.32 O ATOM 2058 CB THR A 132 -9.110 4.443 10.918 1.00 0.32 C ATOM 2059 OG1 THR A 132 -9.354 5.853 10.834 1.00 0.35 O ATOM 2060 CG2 THR A 132 -9.500 3.924 12.295 1.00 0.40 C ATOM 0 H THR A 132 -8.108 4.567 8.635 1.00 0.26 H new ATOM 0 HA THR A 132 -7.018 4.838 11.225 1.00 0.29 H new ATOM 0 HB THR A 132 -9.717 3.927 10.175 1.00 0.32 H new ATOM 0 HG1 THR A 132 -9.526 6.100 9.901 1.00 0.35 H new ATOM 0 HG21 THR A 132 -10.553 4.135 12.479 1.00 0.40 H new ATOM 0 HG22 THR A 132 -9.333 2.848 12.339 1.00 0.40 H new ATOM 0 HG23 THR A 132 -8.893 4.417 13.055 1.00 0.40 H new ATOM 2068 N TYR A 133 -7.672 1.770 10.190 1.00 0.30 N ATOM 2069 CA TYR A 133 -7.367 0.376 10.460 1.00 0.32 C ATOM 2070 C TYR A 133 -5.862 0.154 10.469 1.00 0.32 C ATOM 2071 O TYR A 133 -5.357 -0.671 11.227 1.00 0.37 O ATOM 2072 CB TYR A 133 -8.062 -0.543 9.461 1.00 0.33 C ATOM 2073 CG TYR A 133 -9.447 -0.963 9.903 1.00 0.93 C ATOM 2074 CD1 TYR A 133 -9.624 -2.058 10.738 1.00 1.72 C ATOM 2075 CD2 TYR A 133 -10.574 -0.264 9.494 1.00 1.29 C ATOM 2076 CE1 TYR A 133 -10.883 -2.444 11.151 1.00 2.40 C ATOM 2077 CE2 TYR A 133 -11.837 -0.643 9.902 1.00 1.93 C ATOM 2078 CZ TYR A 133 -11.986 -1.733 10.730 1.00 2.40 C ATOM 2079 OH TYR A 133 -13.242 -2.113 11.143 1.00 3.13 O ATOM 0 H TYR A 133 -8.181 1.936 9.322 1.00 0.30 H new ATOM 0 HA TYR A 133 -7.750 0.126 11.449 1.00 0.32 H new ATOM 0 HB2 TYR A 133 -8.133 -0.036 8.499 1.00 0.33 H new ATOM 0 HB3 TYR A 133 -7.451 -1.432 9.309 1.00 0.33 H new ATOM 0 HD1 TYR A 133 -8.762 -2.617 11.070 1.00 1.72 H new ATOM 0 HD2 TYR A 133 -10.461 0.592 8.845 1.00 1.29 H new ATOM 0 HE1 TYR A 133 -11.003 -3.298 11.800 1.00 2.40 H new ATOM 0 HE2 TYR A 133 -12.703 -0.088 9.574 1.00 1.93 H new ATOM 0 HH TYR A 133 -13.910 -1.508 10.758 1.00 3.13 H new ATOM 2089 N LEU A 134 -5.141 0.900 9.641 1.00 0.29 N ATOM 2090 CA LEU A 134 -3.691 0.912 9.732 1.00 0.30 C ATOM 2091 C LEU A 134 -3.299 1.507 11.082 1.00 0.32 C ATOM 2092 O LEU A 134 -2.542 0.910 11.828 1.00 0.35 O ATOM 2093 CB LEU A 134 -3.059 1.711 8.571 1.00 0.29 C ATOM 2094 CG LEU A 134 -1.550 1.481 8.341 1.00 0.48 C ATOM 2095 CD1 LEU A 134 -1.102 2.081 7.015 1.00 0.95 C ATOM 2096 CD2 LEU A 134 -0.726 2.068 9.473 1.00 0.88 C ATOM 0 H LEU A 134 -5.531 1.495 8.910 1.00 0.29 H new ATOM 0 HA LEU A 134 -3.314 -0.108 9.652 1.00 0.30 H new ATOM 0 HB2 LEU A 134 -3.590 1.462 7.652 1.00 0.29 H new ATOM 0 HB3 LEU A 134 -3.222 2.773 8.755 1.00 0.29 H new ATOM 0 HG LEU A 134 -1.387 0.404 8.313 1.00 0.48 H new ATOM 0 HD11 LEU A 134 -0.035 1.905 6.878 1.00 0.95 H new ATOM 0 HD12 LEU A 134 -1.655 1.615 6.199 1.00 0.95 H new ATOM 0 HD13 LEU A 134 -1.295 3.154 7.017 1.00 0.95 H new ATOM 0 HD21 LEU A 134 0.332 1.890 9.283 1.00 0.88 H new ATOM 0 HD22 LEU A 134 -0.908 3.141 9.537 1.00 0.88 H new ATOM 0 HD23 LEU A 134 -1.010 1.595 10.413 1.00 0.88 H new ATOM 2108 N ASN A 135 -3.859 2.670 11.390 1.00 0.31 N ATOM 2109 CA ASN A 135 -3.580 3.382 12.640 1.00 0.35 C ATOM 2110 C ASN A 135 -3.694 2.482 13.867 1.00 0.38 C ATOM 2111 O ASN A 135 -2.721 2.290 14.596 1.00 0.43 O ATOM 2112 CB ASN A 135 -4.550 4.555 12.799 1.00 0.36 C ATOM 2113 CG ASN A 135 -3.946 5.889 12.439 1.00 0.38 C ATOM 2114 OD1 ASN A 135 -3.420 6.594 13.295 1.00 0.46 O ATOM 2115 ND2 ASN A 135 -4.014 6.245 11.173 1.00 0.34 N ATOM 0 H ASN A 135 -4.522 3.151 10.782 1.00 0.31 H new ATOM 0 HA ASN A 135 -2.551 3.736 12.577 1.00 0.35 H new ATOM 0 HB2 ASN A 135 -5.425 4.380 12.172 1.00 0.36 H new ATOM 0 HB3 ASN A 135 -4.899 4.590 13.831 1.00 0.36 H new ATOM 0 HD21 ASN A 135 -3.621 7.137 10.872 1.00 0.34 H new ATOM 0 HD22 ASN A 135 -4.460 5.629 10.493 1.00 0.34 H new ATOM 2122 N ASP A 136 -4.878 1.931 14.086 1.00 0.38 N ATOM 2123 CA ASP A 136 -5.155 1.184 15.311 1.00 0.42 C ATOM 2124 C ASP A 136 -4.571 -0.225 15.264 1.00 0.40 C ATOM 2125 O ASP A 136 -3.947 -0.683 16.220 1.00 0.43 O ATOM 2126 CB ASP A 136 -6.666 1.117 15.549 1.00 0.45 C ATOM 2127 CG ASP A 136 -7.045 0.232 16.723 1.00 0.53 C ATOM 2128 OD1 ASP A 136 -7.127 0.741 17.860 1.00 0.59 O ATOM 2129 OD2 ASP A 136 -7.288 -0.973 16.508 1.00 0.58 O ATOM 0 H ASP A 136 -5.662 1.985 13.436 1.00 0.38 H new ATOM 0 HA ASP A 136 -4.676 1.711 16.136 1.00 0.42 H new ATOM 0 HB2 ASP A 136 -7.045 2.124 15.723 1.00 0.45 H new ATOM 0 HB3 ASP A 136 -7.154 0.744 14.648 1.00 0.45 H new ATOM 2134 N HIS A 137 -4.758 -0.899 14.144 1.00 0.38 N ATOM 2135 CA HIS A 137 -4.426 -2.314 14.040 1.00 0.38 C ATOM 2136 C HIS A 137 -2.995 -2.554 13.566 1.00 0.35 C ATOM 2137 O HIS A 137 -2.239 -3.298 14.190 1.00 0.37 O ATOM 2138 CB HIS A 137 -5.399 -2.986 13.073 1.00 0.40 C ATOM 2139 CG HIS A 137 -6.645 -3.510 13.720 1.00 0.63 C ATOM 2140 ND1 HIS A 137 -7.784 -2.753 13.894 1.00 1.18 N ATOM 2141 CD2 HIS A 137 -6.930 -4.734 14.222 1.00 1.45 C ATOM 2142 CE1 HIS A 137 -8.712 -3.489 14.473 1.00 1.13 C ATOM 2143 NE2 HIS A 137 -8.222 -4.695 14.682 1.00 1.34 N ATOM 0 H HIS A 137 -5.139 -0.491 13.290 1.00 0.38 H new ATOM 0 HA HIS A 137 -4.509 -2.742 15.039 1.00 0.38 H new ATOM 0 HB2 HIS A 137 -5.678 -2.270 12.300 1.00 0.40 H new ATOM 0 HB3 HIS A 137 -4.888 -3.810 12.575 1.00 0.40 H new ATOM 0 HD2 HIS A 137 -6.264 -5.584 14.254 1.00 1.45 H new ATOM 0 HE1 HIS A 137 -9.707 -3.159 14.733 1.00 1.13 H new ATOM 0 HE2 HIS A 137 -8.722 -5.472 15.115 1.00 1.34 H new ATOM 2152 N LEU A 138 -2.631 -1.920 12.467 1.00 0.32 N ATOM 2153 CA LEU A 138 -1.402 -2.227 11.772 1.00 0.29 C ATOM 2154 C LEU A 138 -0.187 -1.495 12.316 1.00 0.27 C ATOM 2155 O LEU A 138 0.859 -2.100 12.512 1.00 0.27 O ATOM 2156 CB LEU A 138 -1.605 -1.881 10.313 1.00 0.30 C ATOM 2157 CG LEU A 138 -1.794 -3.072 9.399 1.00 0.59 C ATOM 2158 CD1 LEU A 138 -2.458 -4.237 10.119 1.00 1.20 C ATOM 2159 CD2 LEU A 138 -2.601 -2.676 8.179 1.00 1.20 C ATOM 0 H LEU A 138 -3.181 -1.178 12.034 1.00 0.32 H new ATOM 0 HA LEU A 138 -1.190 -3.286 11.916 1.00 0.29 H new ATOM 0 HB2 LEU A 138 -2.476 -1.232 10.226 1.00 0.30 H new ATOM 0 HB3 LEU A 138 -0.745 -1.308 9.967 1.00 0.30 H new ATOM 0 HG LEU A 138 -0.806 -3.403 9.080 1.00 0.59 H new ATOM 0 HD11 LEU A 138 -2.576 -5.072 9.428 1.00 1.20 H new ATOM 0 HD12 LEU A 138 -1.837 -4.546 10.960 1.00 1.20 H new ATOM 0 HD13 LEU A 138 -3.437 -3.928 10.485 1.00 1.20 H new ATOM 0 HD21 LEU A 138 -2.729 -3.543 7.530 1.00 1.20 H new ATOM 0 HD22 LEU A 138 -3.579 -2.310 8.493 1.00 1.20 H new ATOM 0 HD23 LEU A 138 -2.077 -1.890 7.635 1.00 1.20 H new ATOM 2171 N GLU A 139 -0.333 -0.197 12.528 1.00 0.30 N ATOM 2172 CA GLU A 139 0.776 0.673 12.924 1.00 0.31 C ATOM 2173 C GLU A 139 1.641 0.068 14.042 1.00 0.30 C ATOM 2174 O GLU A 139 2.858 -0.016 13.878 1.00 0.30 O ATOM 2175 CB GLU A 139 0.274 2.057 13.335 1.00 0.38 C ATOM 2176 CG GLU A 139 1.397 3.043 13.588 1.00 0.40 C ATOM 2177 CD GLU A 139 0.906 4.356 14.144 1.00 0.49 C ATOM 2178 OE1 GLU A 139 0.594 4.417 15.347 1.00 0.61 O ATOM 2179 OE2 GLU A 139 0.811 5.332 13.375 1.00 0.75 O ATOM 0 H GLU A 139 -1.224 0.290 12.431 1.00 0.30 H new ATOM 0 HA GLU A 139 1.411 0.773 12.044 1.00 0.31 H new ATOM 0 HB2 GLU A 139 -0.377 2.449 12.553 1.00 0.38 H new ATOM 0 HB3 GLU A 139 -0.331 1.965 14.237 1.00 0.38 H new ATOM 0 HG2 GLU A 139 2.111 2.603 14.284 1.00 0.40 H new ATOM 0 HG3 GLU A 139 1.932 3.225 12.656 1.00 0.40 H new ATOM 2186 N PRO A 140 1.050 -0.369 15.183 1.00 0.32 N ATOM 2187 CA PRO A 140 1.821 -1.013 16.254 1.00 0.34 C ATOM 2188 C PRO A 140 2.640 -2.181 15.727 1.00 0.32 C ATOM 2189 O PRO A 140 3.840 -2.283 15.981 1.00 0.34 O ATOM 2190 CB PRO A 140 0.752 -1.519 17.222 1.00 0.40 C ATOM 2191 CG PRO A 140 -0.432 -0.656 16.978 1.00 0.56 C ATOM 2192 CD PRO A 140 -0.386 -0.279 15.526 1.00 0.36 C ATOM 0 HA PRO A 140 2.533 -0.327 16.713 1.00 0.34 H new ATOM 0 HB2 PRO A 140 0.519 -2.568 17.039 1.00 0.40 H new ATOM 0 HB3 PRO A 140 1.089 -1.443 18.256 1.00 0.40 H new ATOM 0 HG2 PRO A 140 -1.355 -1.186 17.213 1.00 0.56 H new ATOM 0 HG3 PRO A 140 -0.404 0.231 17.611 1.00 0.56 H new ATOM 0 HD2 PRO A 140 -0.986 -0.956 14.918 1.00 0.36 H new ATOM 0 HD3 PRO A 140 -0.774 0.726 15.361 1.00 0.36 H new ATOM 2200 N TRP A 141 1.977 -3.042 14.969 1.00 0.31 N ATOM 2201 CA TRP A 141 2.611 -4.212 14.380 1.00 0.32 C ATOM 2202 C TRP A 141 3.732 -3.789 13.437 1.00 0.31 C ATOM 2203 O TRP A 141 4.827 -4.331 13.487 1.00 0.36 O ATOM 2204 CB TRP A 141 1.571 -5.035 13.625 1.00 0.35 C ATOM 2205 CG TRP A 141 1.773 -6.509 13.754 1.00 0.36 C ATOM 2206 CD1 TRP A 141 2.706 -7.267 13.116 1.00 0.43 C ATOM 2207 CD2 TRP A 141 1.019 -7.404 14.577 1.00 0.63 C ATOM 2208 NE1 TRP A 141 2.578 -8.580 13.488 1.00 0.60 N ATOM 2209 CE2 TRP A 141 1.550 -8.690 14.385 1.00 0.70 C ATOM 2210 CE3 TRP A 141 -0.055 -7.241 15.457 1.00 0.91 C ATOM 2211 CZ2 TRP A 141 1.045 -9.810 15.040 1.00 0.98 C ATOM 2212 CZ3 TRP A 141 -0.554 -8.353 16.107 1.00 1.19 C ATOM 2213 CH2 TRP A 141 -0.004 -9.623 15.895 1.00 1.20 C ATOM 0 H TRP A 141 0.986 -2.949 14.745 1.00 0.31 H new ATOM 0 HA TRP A 141 3.040 -4.821 15.176 1.00 0.32 H new ATOM 0 HB2 TRP A 141 0.578 -4.778 13.994 1.00 0.35 H new ATOM 0 HB3 TRP A 141 1.599 -4.763 12.570 1.00 0.35 H new ATOM 0 HD1 TRP A 141 3.440 -6.889 12.419 1.00 0.43 H new ATOM 0 HE1 TRP A 141 3.155 -9.350 13.151 1.00 0.60 H new ATOM 0 HE3 TRP A 141 -0.486 -6.265 15.625 1.00 0.91 H new ATOM 0 HZ2 TRP A 141 1.467 -10.791 14.878 1.00 0.98 H new ATOM 0 HZ3 TRP A 141 -1.383 -8.241 16.790 1.00 1.19 H new ATOM 0 HH2 TRP A 141 -0.418 -10.472 16.418 1.00 1.20 H new ATOM 2224 N ILE A 142 3.447 -2.809 12.591 1.00 0.26 N ATOM 2225 CA ILE A 142 4.444 -2.225 11.696 1.00 0.26 C ATOM 2226 C ILE A 142 5.719 -1.876 12.449 1.00 0.29 C ATOM 2227 O ILE A 142 6.820 -2.261 12.049 1.00 0.32 O ATOM 2228 CB ILE A 142 3.869 -0.956 11.039 1.00 0.25 C ATOM 2229 CG1 ILE A 142 2.820 -1.352 10.014 1.00 0.28 C ATOM 2230 CG2 ILE A 142 4.966 -0.117 10.401 1.00 0.28 C ATOM 2231 CD1 ILE A 142 1.816 -0.270 9.718 1.00 0.26 C ATOM 0 H ILE A 142 2.519 -2.394 12.503 1.00 0.26 H new ATOM 0 HA ILE A 142 4.689 -2.961 10.930 1.00 0.26 H new ATOM 0 HB ILE A 142 3.403 -0.341 11.809 1.00 0.25 H new ATOM 0 HG12 ILE A 142 3.320 -1.633 9.087 1.00 0.28 H new ATOM 0 HG13 ILE A 142 2.292 -2.236 10.372 1.00 0.28 H new ATOM 0 HG21 ILE A 142 4.527 0.771 9.946 1.00 0.28 H new ATOM 0 HG22 ILE A 142 5.684 0.183 11.164 1.00 0.28 H new ATOM 0 HG23 ILE A 142 5.474 -0.703 9.635 1.00 0.28 H new ATOM 0 HD11 ILE A 142 1.101 -0.629 8.978 1.00 0.26 H new ATOM 0 HD12 ILE A 142 1.287 -0.004 10.633 1.00 0.26 H new ATOM 0 HD13 ILE A 142 2.331 0.608 9.328 1.00 0.26 H new ATOM 2243 N GLN A 143 5.553 -1.150 13.542 1.00 0.30 N ATOM 2244 CA GLN A 143 6.669 -0.739 14.378 1.00 0.35 C ATOM 2245 C GLN A 143 7.446 -1.950 14.914 1.00 0.39 C ATOM 2246 O GLN A 143 8.664 -1.887 15.075 1.00 0.43 O ATOM 2247 CB GLN A 143 6.159 0.121 15.528 1.00 0.41 C ATOM 2248 CG GLN A 143 5.314 1.303 15.070 1.00 0.43 C ATOM 2249 CD GLN A 143 6.098 2.322 14.261 1.00 0.48 C ATOM 2250 OE1 GLN A 143 7.302 2.489 14.443 1.00 0.57 O ATOM 2251 NE2 GLN A 143 5.412 3.015 13.365 1.00 0.52 N ATOM 0 H GLN A 143 4.643 -0.830 13.874 1.00 0.30 H new ATOM 0 HA GLN A 143 7.357 -0.154 13.768 1.00 0.35 H new ATOM 0 HB2 GLN A 143 5.568 -0.499 16.202 1.00 0.41 H new ATOM 0 HB3 GLN A 143 7.010 0.492 16.100 1.00 0.41 H new ATOM 0 HG2 GLN A 143 4.482 0.935 14.470 1.00 0.43 H new ATOM 0 HG3 GLN A 143 4.885 1.794 15.943 1.00 0.43 H new ATOM 0 HE21 GLN A 143 4.413 2.846 13.245 1.00 0.52 H new ATOM 0 HE22 GLN A 143 5.882 3.718 12.795 1.00 0.52 H new ATOM 2260 N GLU A 144 6.742 -3.059 15.166 1.00 0.40 N ATOM 2261 CA GLU A 144 7.374 -4.299 15.629 1.00 0.47 C ATOM 2262 C GLU A 144 8.310 -4.861 14.566 1.00 0.48 C ATOM 2263 O GLU A 144 9.207 -5.653 14.851 1.00 0.55 O ATOM 2264 CB GLU A 144 6.303 -5.340 15.925 1.00 0.51 C ATOM 2265 CG GLU A 144 5.221 -4.845 16.851 1.00 0.52 C ATOM 2266 CD GLU A 144 5.656 -4.796 18.300 1.00 0.61 C ATOM 2267 OE1 GLU A 144 5.742 -5.867 18.938 1.00 0.78 O ATOM 2268 OE2 GLU A 144 5.915 -3.689 18.808 1.00 0.67 O ATOM 0 H GLU A 144 5.730 -3.123 15.056 1.00 0.40 H new ATOM 0 HA GLU A 144 7.945 -4.071 16.529 1.00 0.47 H new ATOM 0 HB2 GLU A 144 5.849 -5.659 14.987 1.00 0.51 H new ATOM 0 HB3 GLU A 144 6.774 -6.218 16.366 1.00 0.51 H new ATOM 0 HG2 GLU A 144 4.910 -3.848 16.537 1.00 0.52 H new ATOM 0 HG3 GLU A 144 4.350 -5.493 16.761 1.00 0.52 H new ATOM 2275 N ASN A 145 8.074 -4.443 13.339 1.00 0.44 N ATOM 2276 CA ASN A 145 8.799 -4.945 12.187 1.00 0.48 C ATOM 2277 C ASN A 145 9.765 -3.887 11.696 1.00 0.47 C ATOM 2278 O ASN A 145 10.327 -3.982 10.605 1.00 0.57 O ATOM 2279 CB ASN A 145 7.808 -5.332 11.092 1.00 0.49 C ATOM 2280 CG ASN A 145 6.979 -6.539 11.488 1.00 0.58 C ATOM 2281 OD1 ASN A 145 7.250 -7.663 11.066 1.00 0.93 O ATOM 2282 ND2 ASN A 145 5.985 -6.315 12.337 1.00 0.54 N ATOM 0 H ASN A 145 7.370 -3.741 13.111 1.00 0.44 H new ATOM 0 HA ASN A 145 9.371 -5.831 12.464 1.00 0.48 H new ATOM 0 HB2 ASN A 145 7.148 -4.490 10.884 1.00 0.49 H new ATOM 0 HB3 ASN A 145 8.349 -5.548 10.171 1.00 0.49 H new ATOM 0 HD21 ASN A 145 5.410 -7.091 12.666 1.00 0.54 H new ATOM 0 HD22 ASN A 145 5.795 -5.367 12.661 1.00 0.54 H new ATOM 2289 N GLY A 146 9.932 -2.871 12.523 1.00 0.42 N ATOM 2290 CA GLY A 146 10.904 -1.842 12.263 1.00 0.45 C ATOM 2291 C GLY A 146 10.275 -0.495 11.986 1.00 0.44 C ATOM 2292 O GLY A 146 10.816 0.542 12.370 1.00 0.56 O ATOM 0 H GLY A 146 9.400 -2.742 13.384 1.00 0.42 H new ATOM 0 HA2 GLY A 146 11.573 -1.756 13.120 1.00 0.45 H new ATOM 0 HA3 GLY A 146 11.516 -2.134 11.409 1.00 0.45 H new ATOM 2296 N GLY A 147 9.128 -0.505 11.331 1.00 0.36 N ATOM 2297 CA GLY A 147 8.472 0.732 10.975 1.00 0.36 C ATOM 2298 C GLY A 147 8.204 0.815 9.489 1.00 0.38 C ATOM 2299 O GLY A 147 8.394 -0.166 8.766 1.00 0.49 O ATOM 0 H GLY A 147 8.638 -1.350 11.038 1.00 0.36 H new ATOM 0 HA2 GLY A 147 7.532 0.815 11.520 1.00 0.36 H new ATOM 0 HA3 GLY A 147 9.093 1.574 11.281 1.00 0.36 H new ATOM 2303 N TRP A 148 7.778 1.980 9.029 1.00 0.35 N ATOM 2304 CA TRP A 148 7.435 2.159 7.629 1.00 0.37 C ATOM 2305 C TRP A 148 8.686 2.329 6.775 1.00 0.38 C ATOM 2306 O TRP A 148 8.723 1.892 5.626 1.00 0.40 O ATOM 2307 CB TRP A 148 6.510 3.362 7.452 1.00 0.39 C ATOM 2308 CG TRP A 148 5.102 3.119 7.904 1.00 0.46 C ATOM 2309 CD1 TRP A 148 4.257 2.146 7.457 1.00 0.79 C ATOM 2310 CD2 TRP A 148 4.364 3.883 8.862 1.00 1.45 C ATOM 2311 NE1 TRP A 148 3.043 2.251 8.089 1.00 0.52 N ATOM 2312 CE2 TRP A 148 3.085 3.310 8.957 1.00 1.25 C ATOM 2313 CE3 TRP A 148 4.664 4.990 9.655 1.00 2.64 C ATOM 2314 CZ2 TRP A 148 2.107 3.812 9.812 1.00 2.17 C ATOM 2315 CZ3 TRP A 148 3.693 5.488 10.503 1.00 3.57 C ATOM 2316 CH2 TRP A 148 2.429 4.898 10.575 1.00 3.32 C ATOM 0 H TRP A 148 7.662 2.814 9.604 1.00 0.35 H new ATOM 0 HA TRP A 148 6.913 1.262 7.296 1.00 0.37 H new ATOM 0 HB2 TRP A 148 6.918 4.206 8.007 1.00 0.39 H new ATOM 0 HB3 TRP A 148 6.499 3.647 6.400 1.00 0.39 H new ATOM 0 HD1 TRP A 148 4.506 1.402 6.715 1.00 0.79 H new ATOM 0 HE1 TRP A 148 2.240 1.640 7.937 1.00 0.52 H new ATOM 0 HE3 TRP A 148 5.640 5.451 9.607 1.00 2.64 H new ATOM 0 HZ2 TRP A 148 1.129 3.359 9.870 1.00 2.17 H new ATOM 0 HZ3 TRP A 148 3.915 6.347 11.119 1.00 3.57 H new ATOM 0 HH2 TRP A 148 1.691 5.309 11.248 1.00 3.32 H new ATOM 2327 N ASP A 149 9.710 2.955 7.342 1.00 0.42 N ATOM 2328 CA ASP A 149 10.973 3.153 6.632 1.00 0.47 C ATOM 2329 C ASP A 149 11.640 1.816 6.360 1.00 0.47 C ATOM 2330 O ASP A 149 12.169 1.582 5.272 1.00 0.52 O ATOM 2331 CB ASP A 149 11.923 4.044 7.433 1.00 0.56 C ATOM 2332 CG ASP A 149 11.416 5.459 7.585 1.00 1.23 C ATOM 2333 OD1 ASP A 149 10.632 5.719 8.521 1.00 1.96 O ATOM 2334 OD2 ASP A 149 11.782 6.316 6.752 1.00 1.72 O ATOM 0 H ASP A 149 9.694 3.334 8.289 1.00 0.42 H new ATOM 0 HA ASP A 149 10.749 3.646 5.686 1.00 0.47 H new ATOM 0 HB2 ASP A 149 12.074 3.610 8.421 1.00 0.56 H new ATOM 0 HB3 ASP A 149 12.896 4.063 6.942 1.00 0.56 H new ATOM 2339 N THR A 150 11.601 0.937 7.353 1.00 0.47 N ATOM 2340 CA THR A 150 12.144 -0.405 7.212 1.00 0.51 C ATOM 2341 C THR A 150 11.498 -1.141 6.044 1.00 0.50 C ATOM 2342 O THR A 150 12.152 -1.901 5.338 1.00 0.56 O ATOM 2343 CB THR A 150 11.939 -1.223 8.497 1.00 0.56 C ATOM 2344 OG1 THR A 150 12.547 -0.549 9.606 1.00 0.62 O ATOM 2345 CG2 THR A 150 12.535 -2.613 8.340 1.00 0.67 C ATOM 0 H THR A 150 11.196 1.132 8.269 1.00 0.47 H new ATOM 0 HA THR A 150 13.212 -0.299 7.021 1.00 0.51 H new ATOM 0 HB THR A 150 10.870 -1.322 8.683 1.00 0.56 H new ATOM 0 HG1 THR A 150 13.115 -1.177 10.099 1.00 0.62 H new ATOM 0 HG21 THR A 150 12.382 -3.180 9.258 1.00 0.67 H new ATOM 0 HG22 THR A 150 12.048 -3.126 7.511 1.00 0.67 H new ATOM 0 HG23 THR A 150 13.603 -2.530 8.138 1.00 0.67 H new ATOM 2353 N PHE A 151 10.213 -0.895 5.836 1.00 0.45 N ATOM 2354 CA PHE A 151 9.483 -1.532 4.754 1.00 0.47 C ATOM 2355 C PHE A 151 10.123 -1.202 3.409 1.00 0.48 C ATOM 2356 O PHE A 151 10.267 -2.072 2.556 1.00 0.55 O ATOM 2357 CB PHE A 151 8.015 -1.091 4.764 1.00 0.47 C ATOM 2358 CG PHE A 151 7.203 -1.666 3.639 1.00 1.18 C ATOM 2359 CD1 PHE A 151 7.151 -1.032 2.412 1.00 1.75 C ATOM 2360 CD2 PHE A 151 6.487 -2.840 3.811 1.00 1.80 C ATOM 2361 CE1 PHE A 151 6.402 -1.554 1.380 1.00 2.61 C ATOM 2362 CE2 PHE A 151 5.736 -3.366 2.782 1.00 2.65 C ATOM 2363 CZ PHE A 151 5.714 -2.734 1.558 1.00 3.00 C ATOM 0 H PHE A 151 9.655 -0.258 6.404 1.00 0.45 H new ATOM 0 HA PHE A 151 9.524 -2.611 4.903 1.00 0.47 H new ATOM 0 HB2 PHE A 151 7.564 -1.383 5.712 1.00 0.47 H new ATOM 0 HB3 PHE A 151 7.972 -0.003 4.712 1.00 0.47 H new ATOM 0 HD1 PHE A 151 7.704 -0.117 2.260 1.00 1.75 H new ATOM 0 HD2 PHE A 151 6.518 -3.349 4.763 1.00 1.80 H new ATOM 0 HE1 PHE A 151 6.354 -1.038 0.432 1.00 2.61 H new ATOM 0 HE2 PHE A 151 5.166 -4.271 2.935 1.00 2.65 H new ATOM 0 HZ PHE A 151 5.157 -3.164 0.738 1.00 3.00 H new ATOM 2373 N VAL A 152 10.520 0.051 3.232 1.00 0.45 N ATOM 2374 CA VAL A 152 11.126 0.486 1.979 1.00 0.49 C ATOM 2375 C VAL A 152 12.543 -0.071 1.854 1.00 0.57 C ATOM 2376 O VAL A 152 13.058 -0.254 0.754 1.00 0.64 O ATOM 2377 CB VAL A 152 11.099 2.031 1.804 1.00 0.60 C ATOM 2378 CG1 VAL A 152 10.257 2.677 2.885 1.00 1.15 C ATOM 2379 CG2 VAL A 152 12.492 2.644 1.769 1.00 0.91 C ATOM 0 H VAL A 152 10.434 0.783 3.937 1.00 0.45 H new ATOM 0 HA VAL A 152 10.522 0.082 1.167 1.00 0.49 H new ATOM 0 HB VAL A 152 10.644 2.230 0.834 1.00 0.60 H new ATOM 0 HG11 VAL A 152 10.251 3.758 2.744 1.00 1.15 H new ATOM 0 HG12 VAL A 152 9.237 2.298 2.827 1.00 1.15 H new ATOM 0 HG13 VAL A 152 10.676 2.441 3.863 1.00 1.15 H new ATOM 0 HG21 VAL A 152 12.411 3.724 1.645 1.00 0.91 H new ATOM 0 HG22 VAL A 152 13.010 2.424 2.702 1.00 0.91 H new ATOM 0 HG23 VAL A 152 13.053 2.224 0.934 1.00 0.91 H new ATOM 2389 N GLU A 153 13.167 -0.350 2.988 1.00 0.59 N ATOM 2390 CA GLU A 153 14.459 -1.018 2.993 1.00 0.69 C ATOM 2391 C GLU A 153 14.353 -2.398 2.339 1.00 0.70 C ATOM 2392 O GLU A 153 15.343 -2.948 1.851 1.00 0.80 O ATOM 2393 CB GLU A 153 14.986 -1.143 4.421 1.00 0.76 C ATOM 2394 CG GLU A 153 15.434 0.186 4.997 1.00 0.80 C ATOM 2395 CD GLU A 153 16.607 0.769 4.239 1.00 1.31 C ATOM 2396 OE1 GLU A 153 17.689 0.143 4.243 1.00 1.58 O ATOM 2397 OE2 GLU A 153 16.451 1.846 3.627 1.00 1.67 O ATOM 0 H GLU A 153 12.801 -0.125 3.913 1.00 0.59 H new ATOM 0 HA GLU A 153 15.161 -0.417 2.415 1.00 0.69 H new ATOM 0 HB2 GLU A 153 14.207 -1.566 5.056 1.00 0.76 H new ATOM 0 HB3 GLU A 153 15.823 -1.841 4.435 1.00 0.76 H new ATOM 0 HG2 GLU A 153 14.602 0.890 4.973 1.00 0.80 H new ATOM 0 HG3 GLU A 153 15.709 0.053 6.043 1.00 0.80 H new ATOM 2404 N LEU A 154 13.140 -2.945 2.330 1.00 0.67 N ATOM 2405 CA LEU A 154 12.888 -4.254 1.742 1.00 0.72 C ATOM 2406 C LEU A 154 12.164 -4.121 0.399 1.00 0.74 C ATOM 2407 O LEU A 154 12.620 -4.629 -0.625 1.00 0.83 O ATOM 2408 CB LEU A 154 12.021 -5.100 2.679 1.00 0.72 C ATOM 2409 CG LEU A 154 12.072 -4.718 4.158 1.00 0.83 C ATOM 2410 CD1 LEU A 154 11.116 -5.576 4.962 1.00 1.30 C ATOM 2411 CD2 LEU A 154 13.479 -4.851 4.702 1.00 1.14 C ATOM 0 H LEU A 154 12.313 -2.498 2.726 1.00 0.67 H new ATOM 0 HA LEU A 154 13.853 -4.736 1.588 1.00 0.72 H new ATOM 0 HB2 LEU A 154 10.986 -5.036 2.342 1.00 0.72 H new ATOM 0 HB3 LEU A 154 12.324 -6.142 2.582 1.00 0.72 H new ATOM 0 HG LEU A 154 11.767 -3.676 4.248 1.00 0.83 H new ATOM 0 HD11 LEU A 154 11.166 -5.290 6.013 1.00 1.30 H new ATOM 0 HD12 LEU A 154 10.100 -5.431 4.594 1.00 1.30 H new ATOM 0 HD13 LEU A 154 11.393 -6.625 4.858 1.00 1.30 H new ATOM 0 HD21 LEU A 154 13.489 -4.574 5.756 1.00 1.14 H new ATOM 0 HD22 LEU A 154 13.814 -5.883 4.595 1.00 1.14 H new ATOM 0 HD23 LEU A 154 14.147 -4.193 4.147 1.00 1.14 H new ATOM 2423 N TYR A 155 11.039 -3.416 0.420 1.00 0.69 N ATOM 2424 CA TYR A 155 10.128 -3.346 -0.721 1.00 0.78 C ATOM 2425 C TYR A 155 10.137 -1.959 -1.350 1.00 0.77 C ATOM 2426 O TYR A 155 9.250 -1.618 -2.134 1.00 1.15 O ATOM 2427 CB TYR A 155 8.697 -3.645 -0.275 1.00 0.86 C ATOM 2428 CG TYR A 155 8.466 -5.026 0.306 1.00 1.40 C ATOM 2429 CD1 TYR A 155 8.727 -5.288 1.644 1.00 2.24 C ATOM 2430 CD2 TYR A 155 7.953 -6.055 -0.475 1.00 1.83 C ATOM 2431 CE1 TYR A 155 8.488 -6.535 2.188 1.00 3.16 C ATOM 2432 CE2 TYR A 155 7.715 -7.308 0.062 1.00 2.65 C ATOM 2433 CZ TYR A 155 7.984 -7.543 1.394 1.00 3.24 C ATOM 2434 OH TYR A 155 7.730 -8.783 1.941 1.00 4.24 O ATOM 0 H TYR A 155 10.731 -2.876 1.228 1.00 0.69 H new ATOM 0 HA TYR A 155 10.467 -4.083 -1.449 1.00 0.78 H new ATOM 0 HB2 TYR A 155 8.405 -2.904 0.469 1.00 0.86 H new ATOM 0 HB3 TYR A 155 8.034 -3.515 -1.131 1.00 0.86 H new ATOM 0 HD1 TYR A 155 9.124 -4.503 2.271 1.00 2.24 H new ATOM 0 HD2 TYR A 155 7.737 -5.874 -1.517 1.00 1.83 H new ATOM 0 HE1 TYR A 155 8.695 -6.720 3.232 1.00 3.16 H new ATOM 0 HE2 TYR A 155 7.320 -8.098 -0.559 1.00 2.65 H new ATOM 0 HH TYR A 155 7.377 -9.380 1.249 1.00 4.24 H new ATOM 2444 N GLY A 156 11.130 -1.165 -0.995 1.00 0.66 N ATOM 2445 CA GLY A 156 11.189 0.213 -1.444 1.00 0.64 C ATOM 2446 C GLY A 156 11.235 0.358 -2.940 1.00 0.78 C ATOM 2447 O GLY A 156 11.606 -0.570 -3.663 1.00 1.10 O ATOM 0 H GLY A 156 11.906 -1.450 -0.398 1.00 0.66 H new ATOM 0 HA2 GLY A 156 10.320 0.748 -1.062 1.00 0.64 H new ATOM 0 HA3 GLY A 156 12.070 0.689 -1.014 1.00 0.64 H new ATOM 2451 N ASN A 157 10.854 1.541 -3.374 1.00 0.70 N ATOM 2452 CA ASN A 157 10.841 1.919 -4.772 1.00 0.80 C ATOM 2453 C ASN A 157 12.162 1.566 -5.444 1.00 1.14 C ATOM 2454 O ASN A 157 13.192 2.190 -5.180 1.00 1.29 O ATOM 2455 CB ASN A 157 10.603 3.418 -4.829 1.00 0.70 C ATOM 2456 CG ASN A 157 10.461 3.966 -6.233 1.00 0.77 C ATOM 2457 OD1 ASN A 157 11.449 4.310 -6.884 1.00 0.88 O ATOM 2458 ND2 ASN A 157 9.230 4.056 -6.707 1.00 0.76 N ATOM 0 H ASN A 157 10.537 2.284 -2.751 1.00 0.70 H new ATOM 0 HA ASN A 157 10.056 1.380 -5.303 1.00 0.80 H new ATOM 0 HB2 ASN A 157 9.701 3.654 -4.265 1.00 0.70 H new ATOM 0 HB3 ASN A 157 11.430 3.926 -4.334 1.00 0.70 H new ATOM 0 HD21 ASN A 157 9.070 4.422 -7.646 1.00 0.76 H new ATOM 0 HD22 ASN A 157 8.440 3.760 -6.134 1.00 0.76 H new ATOM 2465 N ASN A 158 12.134 0.561 -6.304 1.00 1.40 N ATOM 2466 CA ASN A 158 13.357 0.065 -6.912 1.00 1.79 C ATOM 2467 C ASN A 158 13.856 0.983 -8.007 1.00 1.93 C ATOM 2468 O ASN A 158 15.050 1.019 -8.273 1.00 2.18 O ATOM 2469 CB ASN A 158 13.181 -1.349 -7.456 1.00 2.11 C ATOM 2470 CG ASN A 158 13.524 -2.404 -6.428 1.00 2.55 C ATOM 2471 OD1 ASN A 158 12.662 -2.891 -5.699 1.00 2.99 O ATOM 2472 ND2 ASN A 158 14.796 -2.762 -6.358 1.00 2.94 N ATOM 0 H ASN A 158 11.285 0.076 -6.595 1.00 1.40 H new ATOM 0 HA ASN A 158 14.107 0.040 -6.121 1.00 1.79 H new ATOM 0 HB2 ASN A 158 12.150 -1.485 -7.783 1.00 2.11 H new ATOM 0 HB3 ASN A 158 13.814 -1.480 -8.334 1.00 2.11 H new ATOM 0 HD21 ASN A 158 15.091 -3.466 -5.681 1.00 2.94 H new ATOM 0 HD22 ASN A 158 15.481 -2.334 -6.981 1.00 2.94 H new ATOM 2479 N ALA A 159 12.952 1.730 -8.630 1.00 1.86 N ATOM 2480 CA ALA A 159 13.335 2.663 -9.684 1.00 2.10 C ATOM 2481 C ALA A 159 14.403 3.630 -9.187 1.00 2.25 C ATOM 2482 O ALA A 159 15.427 3.833 -9.842 1.00 2.52 O ATOM 2483 CB ALA A 159 12.122 3.424 -10.193 1.00 2.14 C ATOM 0 H ALA A 159 11.953 1.709 -8.425 1.00 1.86 H new ATOM 0 HA ALA A 159 13.752 2.089 -10.511 1.00 2.10 H new ATOM 0 HB1 ALA A 159 12.429 4.115 -10.978 1.00 2.14 H new ATOM 0 HB2 ALA A 159 11.393 2.720 -10.593 1.00 2.14 H new ATOM 0 HB3 ALA A 159 11.673 3.984 -9.373 1.00 2.14 H new ATOM 2489 N ALA A 160 14.167 4.209 -8.018 1.00 2.17 N ATOM 2490 CA ALA A 160 15.140 5.096 -7.398 1.00 2.44 C ATOM 2491 C ALA A 160 16.299 4.299 -6.805 1.00 2.55 C ATOM 2492 O ALA A 160 17.455 4.723 -6.872 1.00 2.87 O ATOM 2493 CB ALA A 160 14.475 5.941 -6.325 1.00 2.45 C ATOM 0 H ALA A 160 13.310 4.080 -7.480 1.00 2.17 H new ATOM 0 HA ALA A 160 15.539 5.757 -8.167 1.00 2.44 H new ATOM 0 HB1 ALA A 160 15.215 6.600 -5.870 1.00 2.45 H new ATOM 0 HB2 ALA A 160 13.682 6.540 -6.773 1.00 2.45 H new ATOM 0 HB3 ALA A 160 14.050 5.290 -5.561 1.00 2.45 H new ATOM 2499 N ALA A 161 15.980 3.134 -6.248 1.00 2.37 N ATOM 2500 CA ALA A 161 16.973 2.279 -5.605 1.00 2.60 C ATOM 2501 C ALA A 161 18.088 1.890 -6.570 1.00 2.85 C ATOM 2502 O ALA A 161 19.260 2.142 -6.297 1.00 3.20 O ATOM 2503 CB ALA A 161 16.313 1.033 -5.034 1.00 2.50 C ATOM 0 H ALA A 161 15.032 2.758 -6.229 1.00 2.37 H new ATOM 0 HA ALA A 161 17.420 2.849 -4.790 1.00 2.60 H new ATOM 0 HB1 ALA A 161 17.068 0.407 -4.558 1.00 2.50 H new ATOM 0 HB2 ALA A 161 15.565 1.323 -4.296 1.00 2.50 H new ATOM 0 HB3 ALA A 161 15.833 0.475 -5.838 1.00 2.50 H new ATOM 2509 N GLU A 162 17.722 1.287 -7.700 1.00 2.76 N ATOM 2510 CA GLU A 162 18.705 0.870 -8.698 1.00 3.08 C ATOM 2511 C GLU A 162 19.392 2.068 -9.326 1.00 3.31 C ATOM 2512 O GLU A 162 20.515 1.959 -9.814 1.00 3.67 O ATOM 2513 CB GLU A 162 18.065 0.035 -9.805 1.00 3.06 C ATOM 2514 CG GLU A 162 16.913 0.724 -10.513 1.00 3.25 C ATOM 2515 CD GLU A 162 16.355 -0.102 -11.648 1.00 3.48 C ATOM 2516 OE1 GLU A 162 15.642 -1.088 -11.378 1.00 3.71 O ATOM 2517 OE2 GLU A 162 16.625 0.233 -12.818 1.00 3.72 O ATOM 0 H GLU A 162 16.755 1.077 -7.947 1.00 2.76 H new ATOM 0 HA GLU A 162 19.441 0.261 -8.173 1.00 3.08 H new ATOM 0 HB2 GLU A 162 18.828 -0.221 -10.540 1.00 3.06 H new ATOM 0 HB3 GLU A 162 17.707 -0.902 -9.378 1.00 3.06 H new ATOM 0 HG2 GLU A 162 16.120 0.930 -9.794 1.00 3.25 H new ATOM 0 HG3 GLU A 162 17.251 1.685 -10.900 1.00 3.25 H new ATOM 2524 N SER A 163 18.718 3.204 -9.314 1.00 3.19 N ATOM 2525 CA SER A 163 19.272 4.403 -9.900 1.00 3.52 C ATOM 2526 C SER A 163 20.460 4.877 -9.069 1.00 3.81 C ATOM 2527 O SER A 163 21.536 5.156 -9.600 1.00 4.18 O ATOM 2528 CB SER A 163 18.199 5.493 -9.993 1.00 3.44 C ATOM 2529 OG SER A 163 18.648 6.597 -10.758 1.00 3.87 O ATOM 0 H SER A 163 17.790 3.318 -8.906 1.00 3.19 H new ATOM 0 HA SER A 163 19.618 4.185 -10.910 1.00 3.52 H new ATOM 0 HB2 SER A 163 17.296 5.080 -10.443 1.00 3.44 H new ATOM 0 HB3 SER A 163 17.931 5.828 -8.991 1.00 3.44 H new ATOM 0 HG SER A 163 17.941 7.275 -10.801 1.00 3.87 H new ATOM 2535 N ARG A 164 20.271 4.924 -7.752 1.00 3.70 N ATOM 2536 CA ARG A 164 21.342 5.314 -6.843 1.00 4.07 C ATOM 2537 C ARG A 164 22.312 4.157 -6.643 1.00 4.24 C ATOM 2538 O ARG A 164 23.447 4.338 -6.201 1.00 4.61 O ATOM 2539 CB ARG A 164 20.769 5.762 -5.499 1.00 4.05 C ATOM 2540 CG ARG A 164 21.298 7.111 -5.043 1.00 4.12 C ATOM 2541 CD ARG A 164 20.935 8.207 -6.032 1.00 4.41 C ATOM 2542 NE ARG A 164 21.559 9.485 -5.695 1.00 4.73 N ATOM 2543 CZ ARG A 164 21.430 10.591 -6.426 1.00 5.32 C ATOM 2544 NH1 ARG A 164 20.679 10.583 -7.521 1.00 5.65 N ATOM 2545 NH2 ARG A 164 22.044 11.711 -6.057 1.00 5.82 N ATOM 0 H ARG A 164 19.389 4.697 -7.293 1.00 3.70 H new ATOM 0 HA ARG A 164 21.881 6.152 -7.285 1.00 4.07 H new ATOM 0 HB2 ARG A 164 19.683 5.811 -5.573 1.00 4.05 H new ATOM 0 HB3 ARG A 164 21.004 5.012 -4.743 1.00 4.05 H new ATOM 0 HG2 ARG A 164 20.888 7.352 -4.062 1.00 4.12 H new ATOM 0 HG3 ARG A 164 22.381 7.061 -4.933 1.00 4.12 H new ATOM 0 HD2 ARG A 164 21.244 7.907 -7.033 1.00 4.41 H new ATOM 0 HD3 ARG A 164 19.852 8.329 -6.055 1.00 4.41 H new ATOM 0 HE ARG A 164 22.127 9.533 -4.849 1.00 4.73 H new ATOM 0 HH11 ARG A 164 20.199 9.729 -7.804 1.00 5.65 H new ATOM 0 HH12 ARG A 164 20.582 11.431 -8.079 1.00 5.65 H new ATOM 0 HH21 ARG A 164 22.616 11.725 -5.212 1.00 5.82 H new ATOM 0 HH22 ARG A 164 21.944 12.557 -6.619 1.00 5.82 H new ATOM 2559 N LYS A 165 21.850 2.971 -6.987 1.00 4.03 N ATOM 2560 CA LYS A 165 22.666 1.769 -6.909 1.00 4.26 C ATOM 2561 C LYS A 165 23.639 1.730 -8.078 1.00 4.49 C ATOM 2562 O LYS A 165 24.792 1.327 -7.933 1.00 4.77 O ATOM 2563 CB LYS A 165 21.774 0.526 -6.934 1.00 4.10 C ATOM 2564 CG LYS A 165 22.534 -0.781 -6.795 1.00 4.47 C ATOM 2565 CD LYS A 165 21.603 -1.976 -6.851 1.00 4.47 C ATOM 2566 CE LYS A 165 20.679 -2.026 -5.641 1.00 4.43 C ATOM 2567 NZ LYS A 165 19.797 -3.223 -5.660 1.00 4.72 N ATOM 0 H LYS A 165 20.902 2.810 -7.328 1.00 4.03 H new ATOM 0 HA LYS A 165 23.228 1.782 -5.975 1.00 4.26 H new ATOM 0 HB2 LYS A 165 21.045 0.598 -6.127 1.00 4.10 H new ATOM 0 HB3 LYS A 165 21.214 0.512 -7.869 1.00 4.10 H new ATOM 0 HG2 LYS A 165 23.275 -0.858 -7.591 1.00 4.47 H new ATOM 0 HG3 LYS A 165 23.079 -0.787 -5.851 1.00 4.47 H new ATOM 0 HD2 LYS A 165 21.007 -1.931 -7.763 1.00 4.47 H new ATOM 0 HD3 LYS A 165 22.190 -2.893 -6.899 1.00 4.47 H new ATOM 0 HE2 LYS A 165 21.276 -2.031 -4.729 1.00 4.43 H new ATOM 0 HE3 LYS A 165 20.066 -1.125 -5.616 1.00 4.43 H new ATOM 0 HZ1 LYS A 165 19.185 -3.217 -4.819 1.00 4.72 H new ATOM 0 HZ2 LYS A 165 19.208 -3.206 -6.517 1.00 4.72 H new ATOM 0 HZ3 LYS A 165 20.380 -4.084 -5.658 1.00 4.72 H new ATOM 2581 N GLY A 166 23.158 2.176 -9.232 1.00 4.45 N ATOM 2582 CA GLY A 166 23.957 2.169 -10.436 1.00 4.72 C ATOM 2583 C GLY A 166 25.181 3.051 -10.327 1.00 4.91 C ATOM 2584 O GLY A 166 26.258 2.690 -10.804 1.00 5.10 O ATOM 0 H GLY A 166 22.215 2.547 -9.352 1.00 4.45 H new ATOM 0 HA2 GLY A 166 24.268 1.148 -10.655 1.00 4.72 H new ATOM 0 HA3 GLY A 166 23.346 2.503 -11.275 1.00 4.72 H new ATOM 2588 N GLN A 167 25.034 4.207 -9.693 1.00 4.92 N ATOM 2589 CA GLN A 167 26.162 5.111 -9.520 1.00 5.16 C ATOM 2590 C GLN A 167 27.103 4.584 -8.452 1.00 5.19 C ATOM 2591 O GLN A 167 28.291 4.901 -8.444 1.00 5.45 O ATOM 2592 CB GLN A 167 25.697 6.524 -9.168 1.00 5.30 C ATOM 2593 CG GLN A 167 24.909 6.610 -7.871 1.00 5.16 C ATOM 2594 CD GLN A 167 24.610 8.038 -7.458 1.00 5.42 C ATOM 2595 OE1 GLN A 167 24.429 8.913 -8.432 1.00 5.60 O flip ATOM 2596 NE2 GLN A 167 24.529 8.350 -6.270 1.00 5.72 N flip ATOM 0 H GLN A 167 24.155 4.538 -9.294 1.00 4.92 H new ATOM 0 HA GLN A 167 26.696 5.162 -10.469 1.00 5.16 H new ATOM 0 HB2 GLN A 167 26.568 7.175 -9.096 1.00 5.30 H new ATOM 0 HB3 GLN A 167 25.081 6.906 -9.982 1.00 5.30 H new ATOM 0 HG2 GLN A 167 23.971 6.066 -7.984 1.00 5.16 H new ATOM 0 HG3 GLN A 167 25.470 6.117 -7.077 1.00 5.16 H new ATOM 0 HE21 GLN A 167 24.675 7.646 -5.547 1.00 5.72 H new ATOM 0 HE22 GLN A 167 24.316 9.313 -6.009 1.00 5.72 H new ATOM 2605 N GLU A 168 26.567 3.753 -7.572 1.00 5.02 N ATOM 2606 CA GLU A 168 27.368 3.101 -6.550 1.00 5.17 C ATOM 2607 C GLU A 168 28.198 1.996 -7.188 1.00 5.30 C ATOM 2608 O GLU A 168 29.145 1.481 -6.595 1.00 5.55 O ATOM 2609 CB GLU A 168 26.457 2.525 -5.459 1.00 5.10 C ATOM 2610 CG GLU A 168 27.179 2.118 -4.188 1.00 5.39 C ATOM 2611 CD GLU A 168 27.756 3.304 -3.452 1.00 5.63 C ATOM 2612 OE1 GLU A 168 26.979 4.052 -2.822 1.00 5.81 O ATOM 2613 OE2 GLU A 168 28.989 3.499 -3.496 1.00 5.88 O ATOM 0 H GLU A 168 25.576 3.514 -7.546 1.00 5.02 H new ATOM 0 HA GLU A 168 28.037 3.829 -6.091 1.00 5.17 H new ATOM 0 HB2 GLU A 168 25.697 3.266 -5.209 1.00 5.10 H new ATOM 0 HB3 GLU A 168 25.935 1.656 -5.860 1.00 5.10 H new ATOM 0 HG2 GLU A 168 26.487 1.588 -3.533 1.00 5.39 H new ATOM 0 HG3 GLU A 168 27.980 1.422 -4.435 1.00 5.39 H new ATOM 2620 N ARG A 169 27.835 1.655 -8.413 1.00 5.23 N ATOM 2621 CA ARG A 169 28.543 0.638 -9.170 1.00 5.45 C ATOM 2622 C ARG A 169 29.621 1.313 -10.003 1.00 5.78 C ATOM 2623 O ARG A 169 30.676 0.741 -10.269 1.00 6.09 O ATOM 2624 CB ARG A 169 27.552 -0.119 -10.068 1.00 5.37 C ATOM 2625 CG ARG A 169 28.080 -1.422 -10.662 1.00 5.66 C ATOM 2626 CD ARG A 169 29.012 -1.198 -11.846 1.00 6.08 C ATOM 2627 NE ARG A 169 29.372 -2.458 -12.496 1.00 6.39 N ATOM 2628 CZ ARG A 169 30.310 -2.581 -13.437 1.00 6.90 C ATOM 2629 NH1 ARG A 169 31.052 -1.538 -13.789 1.00 7.13 N ATOM 2630 NH2 ARG A 169 30.521 -3.760 -14.011 1.00 7.34 N ATOM 0 H ARG A 169 27.047 2.072 -8.908 1.00 5.23 H new ATOM 0 HA ARG A 169 29.010 -0.081 -8.496 1.00 5.45 H new ATOM 0 HB2 ARG A 169 26.656 -0.339 -9.488 1.00 5.37 H new ATOM 0 HB3 ARG A 169 27.250 0.538 -10.884 1.00 5.37 H new ATOM 0 HG2 ARG A 169 28.610 -1.979 -9.889 1.00 5.66 H new ATOM 0 HG3 ARG A 169 27.239 -2.038 -10.980 1.00 5.66 H new ATOM 0 HD2 ARG A 169 28.530 -0.540 -12.569 1.00 6.08 H new ATOM 0 HD3 ARG A 169 29.916 -0.692 -11.507 1.00 6.08 H new ATOM 0 HE ARG A 169 28.872 -3.300 -12.210 1.00 6.39 H new ATOM 0 HH11 ARG A 169 30.907 -0.634 -13.339 1.00 7.13 H new ATOM 0 HH12 ARG A 169 31.767 -1.641 -14.509 1.00 7.13 H new ATOM 0 HH21 ARG A 169 29.966 -4.569 -13.732 1.00 7.34 H new ATOM 0 HH22 ARG A 169 31.238 -3.856 -14.731 1.00 7.34 H new ATOM 2644 N LEU A 170 29.358 2.555 -10.374 1.00 5.79 N ATOM 2645 CA LEU A 170 30.244 3.278 -11.269 1.00 6.19 C ATOM 2646 C LEU A 170 31.320 3.978 -10.457 1.00 6.32 C ATOM 2647 O LEU A 170 32.511 3.713 -10.620 1.00 6.79 O ATOM 2648 CB LEU A 170 29.450 4.286 -12.102 1.00 6.33 C ATOM 2649 CG LEU A 170 29.957 4.508 -13.534 1.00 6.61 C ATOM 2650 CD1 LEU A 170 31.325 5.175 -13.537 1.00 6.97 C ATOM 2651 CD2 LEU A 170 30.004 3.187 -14.288 1.00 6.43 C ATOM 0 H LEU A 170 28.540 3.082 -10.070 1.00 5.79 H new ATOM 0 HA LEU A 170 30.719 2.576 -11.954 1.00 6.19 H new ATOM 0 HB2 LEU A 170 28.413 3.954 -12.150 1.00 6.33 H new ATOM 0 HB3 LEU A 170 29.454 5.244 -11.582 1.00 6.33 H new ATOM 0 HG LEU A 170 29.260 5.176 -14.040 1.00 6.61 H new ATOM 0 HD11 LEU A 170 31.657 5.319 -14.565 1.00 6.97 H new ATOM 0 HD12 LEU A 170 31.259 6.142 -13.038 1.00 6.97 H new ATOM 0 HD13 LEU A 170 32.039 4.542 -13.010 1.00 6.97 H new ATOM 0 HD21 LEU A 170 30.365 3.359 -15.302 1.00 6.43 H new ATOM 0 HD22 LEU A 170 30.676 2.499 -13.775 1.00 6.43 H new ATOM 0 HD23 LEU A 170 29.004 2.755 -14.328 1.00 6.43 H new ATOM 2663 N GLU A 171 30.890 4.852 -9.564 1.00 6.03 N ATOM 2664 CA GLU A 171 31.803 5.535 -8.674 1.00 6.27 C ATOM 2665 C GLU A 171 32.103 4.638 -7.487 1.00 6.70 C ATOM 2666 O GLU A 171 31.190 4.169 -6.806 1.00 6.90 O ATOM 2667 CB GLU A 171 31.202 6.860 -8.205 1.00 6.34 C ATOM 2668 CG GLU A 171 30.839 7.793 -9.347 1.00 6.31 C ATOM 2669 CD GLU A 171 30.276 9.115 -8.870 1.00 6.67 C ATOM 2670 OE1 GLU A 171 29.046 9.213 -8.685 1.00 6.91 O ATOM 2671 OE2 GLU A 171 31.062 10.071 -8.691 1.00 6.97 O ATOM 0 H GLU A 171 29.910 5.104 -9.438 1.00 6.03 H new ATOM 0 HA GLU A 171 32.729 5.755 -9.205 1.00 6.27 H new ATOM 0 HB2 GLU A 171 30.309 6.657 -7.613 1.00 6.34 H new ATOM 0 HB3 GLU A 171 31.913 7.361 -7.548 1.00 6.34 H new ATOM 0 HG2 GLU A 171 31.725 7.979 -9.954 1.00 6.31 H new ATOM 0 HG3 GLU A 171 30.108 7.304 -9.991 1.00 6.31 H new ATOM 2678 N HIS A 172 33.375 4.374 -7.255 1.00 7.18 N ATOM 2679 CA HIS A 172 33.779 3.504 -6.164 1.00 7.91 C ATOM 2680 C HIS A 172 34.151 4.329 -4.941 1.00 8.34 C ATOM 2681 O HIS A 172 35.091 5.123 -4.977 1.00 8.55 O ATOM 2682 CB HIS A 172 34.940 2.599 -6.587 1.00 8.43 C ATOM 2683 CG HIS A 172 34.563 1.608 -7.647 1.00 8.65 C ATOM 2684 ND1 HIS A 172 33.913 0.423 -7.373 1.00 8.91 N ATOM 2685 CD2 HIS A 172 34.733 1.636 -8.992 1.00 8.94 C ATOM 2686 CE1 HIS A 172 33.702 -0.232 -8.498 1.00 9.32 C ATOM 2687 NE2 HIS A 172 34.189 0.479 -9.495 1.00 9.35 N ATOM 0 H HIS A 172 34.147 4.749 -7.807 1.00 7.18 H new ATOM 0 HA HIS A 172 32.936 2.864 -5.904 1.00 7.91 H new ATOM 0 HB2 HIS A 172 35.759 3.218 -6.953 1.00 8.43 H new ATOM 0 HB3 HIS A 172 35.311 2.063 -5.713 1.00 8.43 H new ATOM 0 HD2 HIS A 172 35.208 2.421 -9.562 1.00 8.94 H new ATOM 0 HE1 HIS A 172 33.212 -1.190 -8.587 1.00 9.32 H new ATOM 0 HE2 HIS A 172 34.166 0.214 -10.480 1.00 9.35 H new ATOM 2696 N HIS A 173 33.406 4.131 -3.862 1.00 8.71 N ATOM 2697 CA HIS A 173 33.568 4.931 -2.650 1.00 9.35 C ATOM 2698 C HIS A 173 34.812 4.531 -1.861 1.00 9.73 C ATOM 2699 O HIS A 173 35.144 5.164 -0.860 1.00 10.12 O ATOM 2700 CB HIS A 173 32.318 4.835 -1.754 1.00 9.85 C ATOM 2701 CG HIS A 173 31.965 3.444 -1.306 1.00 10.34 C ATOM 2702 ND1 HIS A 173 30.825 2.791 -1.724 1.00 10.84 N ATOM 2703 CD2 HIS A 173 32.592 2.591 -0.462 1.00 10.66 C ATOM 2704 CE1 HIS A 173 30.768 1.602 -1.159 1.00 11.40 C ATOM 2705 NE2 HIS A 173 31.828 1.454 -0.390 1.00 11.31 N ATOM 0 H HIS A 173 32.678 3.419 -3.799 1.00 8.71 H new ATOM 0 HA HIS A 173 33.695 5.965 -2.969 1.00 9.35 H new ATOM 0 HB2 HIS A 173 32.473 5.457 -0.872 1.00 9.85 H new ATOM 0 HB3 HIS A 173 31.469 5.253 -2.294 1.00 9.85 H new ATOM 0 HD1 HIS A 173 30.133 3.170 -2.371 1.00 10.84 H new ATOM 0 HD2 HIS A 173 33.521 2.772 0.058 1.00 10.66 H new ATOM 0 HE1 HIS A 173 29.985 0.872 -1.302 1.00 11.40 H new ATOM 2714 N HIS A 174 35.488 3.477 -2.294 1.00 9.86 N ATOM 2715 CA HIS A 174 36.714 3.050 -1.635 1.00 10.40 C ATOM 2716 C HIS A 174 37.868 3.975 -2.008 1.00 11.06 C ATOM 2717 O HIS A 174 38.481 3.826 -3.064 1.00 11.27 O ATOM 2718 CB HIS A 174 37.060 1.602 -1.998 1.00 10.58 C ATOM 2719 CG HIS A 174 38.265 1.072 -1.275 1.00 10.83 C ATOM 2720 ND1 HIS A 174 39.494 0.906 -1.875 1.00 11.12 N ATOM 2721 CD2 HIS A 174 38.424 0.670 0.011 1.00 11.10 C ATOM 2722 CE1 HIS A 174 40.353 0.427 -0.996 1.00 11.52 C ATOM 2723 NE2 HIS A 174 39.731 0.275 0.156 1.00 11.52 N ATOM 0 H HIS A 174 35.212 2.905 -3.092 1.00 9.86 H new ATOM 0 HA HIS A 174 36.552 3.102 -0.558 1.00 10.40 H new ATOM 0 HB2 HIS A 174 36.204 0.966 -1.774 1.00 10.58 H new ATOM 0 HB3 HIS A 174 37.234 1.537 -3.072 1.00 10.58 H new ATOM 0 HD2 HIS A 174 37.664 0.662 0.778 1.00 11.10 H new ATOM 0 HE1 HIS A 174 41.391 0.198 -1.188 1.00 11.52 H new ATOM 0 HE2 HIS A 174 40.152 -0.078 1.015 1.00 11.52 H new ATOM 2732 N HIS A 175 38.135 4.946 -1.153 1.00 11.59 N ATOM 2733 CA HIS A 175 39.265 5.839 -1.343 1.00 12.41 C ATOM 2734 C HIS A 175 40.402 5.411 -0.430 1.00 12.84 C ATOM 2735 O HIS A 175 41.567 5.401 -0.831 1.00 13.21 O ATOM 2736 CB HIS A 175 38.863 7.289 -1.058 1.00 12.99 C ATOM 2737 CG HIS A 175 39.949 8.285 -1.336 1.00 13.51 C ATOM 2738 ND1 HIS A 175 40.335 9.254 -0.437 1.00 13.89 N ATOM 2739 CD2 HIS A 175 40.721 8.467 -2.433 1.00 13.89 C ATOM 2740 CE1 HIS A 175 41.296 9.986 -0.968 1.00 14.46 C ATOM 2741 NE2 HIS A 175 41.551 9.531 -2.181 1.00 14.48 N ATOM 0 H HIS A 175 37.583 5.137 -0.317 1.00 11.59 H new ATOM 0 HA HIS A 175 39.595 5.782 -2.380 1.00 12.41 H new ATOM 0 HB2 HIS A 175 37.990 7.539 -1.661 1.00 12.99 H new ATOM 0 HB3 HIS A 175 38.563 7.374 -0.013 1.00 12.99 H new ATOM 0 HD2 HIS A 175 40.690 7.882 -3.340 1.00 13.89 H new ATOM 0 HE1 HIS A 175 41.791 10.818 -0.490 1.00 14.46 H new ATOM 0 HE2 HIS A 175 42.248 9.907 -2.823 1.00 14.48 H new ATOM 2750 N HIS A 176 40.045 5.051 0.798 1.00 12.98 N ATOM 2751 CA HIS A 176 41.001 4.533 1.768 1.00 13.55 C ATOM 2752 C HIS A 176 40.259 3.987 2.982 1.00 13.90 C ATOM 2753 O HIS A 176 40.072 2.778 3.101 1.00 14.09 O ATOM 2754 CB HIS A 176 42.005 5.616 2.191 1.00 13.99 C ATOM 2755 CG HIS A 176 43.093 5.119 3.099 1.00 14.45 C ATOM 2756 ND1 HIS A 176 44.017 4.171 2.719 1.00 14.88 N ATOM 2757 CD2 HIS A 176 43.404 5.451 4.376 1.00 14.71 C ATOM 2758 CE1 HIS A 176 44.849 3.942 3.717 1.00 15.37 C ATOM 2759 NE2 HIS A 176 44.499 4.706 4.733 1.00 15.28 N ATOM 0 H HIS A 176 39.089 5.110 1.147 1.00 12.98 H new ATOM 0 HA HIS A 176 41.564 3.725 1.301 1.00 13.55 H new ATOM 0 HB2 HIS A 176 42.459 6.045 1.298 1.00 13.99 H new ATOM 0 HB3 HIS A 176 41.467 6.420 2.692 1.00 13.99 H new ATOM 0 HD2 HIS A 176 42.886 6.168 4.996 1.00 14.71 H new ATOM 0 HE1 HIS A 176 45.676 3.247 3.704 1.00 15.37 H new ATOM 0 HE2 HIS A 176 44.967 4.738 5.639 1.00 15.28 H new ATOM 2768 N HIS A 177 39.805 4.895 3.848 1.00 14.14 N ATOM 2769 CA HIS A 177 39.115 4.539 5.094 1.00 14.65 C ATOM 2770 C HIS A 177 39.822 3.411 5.844 1.00 15.60 C ATOM 2771 O HIS A 177 40.837 3.634 6.505 1.00 16.02 O ATOM 2772 CB HIS A 177 37.650 4.167 4.834 1.00 14.60 C ATOM 2773 CG HIS A 177 36.745 5.350 4.705 1.00 14.47 C ATOM 2774 ND1 HIS A 177 35.397 5.242 4.448 1.00 14.51 N ATOM 2775 CD2 HIS A 177 36.997 6.674 4.817 1.00 14.51 C ATOM 2776 CE1 HIS A 177 34.861 6.446 4.409 1.00 14.56 C ATOM 2777 NE2 HIS A 177 35.811 7.336 4.632 1.00 14.56 N ATOM 0 H HIS A 177 39.905 5.900 3.707 1.00 14.14 H new ATOM 0 HA HIS A 177 39.142 5.426 5.727 1.00 14.65 H new ATOM 0 HB2 HIS A 177 37.591 3.574 3.921 1.00 14.60 H new ATOM 0 HB3 HIS A 177 37.294 3.535 5.648 1.00 14.60 H new ATOM 0 HD2 HIS A 177 37.957 7.127 5.016 1.00 14.51 H new ATOM 0 HE1 HIS A 177 33.820 6.667 4.226 1.00 14.56 H new ATOM 0 HE2 HIS A 177 35.683 8.348 4.662 1.00 14.56 H new ATOM 2786 N LEU A 178 39.299 2.201 5.717 1.00 16.06 N ATOM 2787 CA LEU A 178 39.864 1.049 6.394 1.00 17.08 C ATOM 2788 C LEU A 178 39.898 -0.143 5.450 1.00 17.58 C ATOM 2789 O LEU A 178 39.087 -0.237 4.526 1.00 17.74 O ATOM 2790 CB LEU A 178 39.076 0.700 7.668 1.00 17.47 C ATOM 2791 CG LEU A 178 37.645 0.182 7.462 1.00 17.56 C ATOM 2792 CD1 LEU A 178 37.130 -0.448 8.747 1.00 17.99 C ATOM 2793 CD2 LEU A 178 36.713 1.303 7.024 1.00 17.68 C ATOM 0 H LEU A 178 38.479 1.993 5.147 1.00 16.06 H new ATOM 0 HA LEU A 178 40.882 1.300 6.694 1.00 17.08 H new ATOM 0 HB2 LEU A 178 39.636 -0.054 8.221 1.00 17.47 H new ATOM 0 HB3 LEU A 178 39.031 1.589 8.297 1.00 17.47 H new ATOM 0 HG LEU A 178 37.667 -0.570 6.674 1.00 17.56 H new ATOM 0 HD11 LEU A 178 36.115 -0.813 8.592 1.00 17.99 H new ATOM 0 HD12 LEU A 178 37.775 -1.280 9.028 1.00 17.99 H new ATOM 0 HD13 LEU A 178 37.130 0.297 9.543 1.00 17.99 H new ATOM 0 HD21 LEU A 178 35.707 0.907 6.886 1.00 17.68 H new ATOM 0 HD22 LEU A 178 36.695 2.081 7.788 1.00 17.68 H new ATOM 0 HD23 LEU A 178 37.069 1.726 6.084 1.00 17.68 H new ATOM 2805 N GLU A 179 40.842 -1.038 5.681 1.00 17.95 N ATOM 2806 CA GLU A 179 41.019 -2.201 4.827 1.00 18.57 C ATOM 2807 C GLU A 179 40.627 -3.474 5.565 1.00 19.13 C ATOM 2808 O GLU A 179 40.673 -3.530 6.798 1.00 19.11 O ATOM 2809 CB GLU A 179 42.472 -2.290 4.355 1.00 18.91 C ATOM 2810 CG GLU A 179 43.478 -2.275 5.493 1.00 18.77 C ATOM 2811 CD GLU A 179 44.909 -2.285 5.008 1.00 18.94 C ATOM 2812 OE1 GLU A 179 45.466 -1.195 4.763 1.00 19.19 O ATOM 2813 OE2 GLU A 179 45.486 -3.387 4.865 1.00 18.93 O ATOM 0 H GLU A 179 41.502 -0.982 6.457 1.00 17.95 H new ATOM 0 HA GLU A 179 40.370 -2.094 3.958 1.00 18.57 H new ATOM 0 HB2 GLU A 179 42.603 -3.204 3.776 1.00 18.91 H new ATOM 0 HB3 GLU A 179 42.680 -1.456 3.685 1.00 18.91 H new ATOM 0 HG2 GLU A 179 43.313 -1.389 6.106 1.00 18.77 H new ATOM 0 HG3 GLU A 179 43.310 -3.141 6.133 1.00 18.77 H new ATOM 2820 N HIS A 180 40.229 -4.486 4.810 1.00 19.74 N ATOM 2821 CA HIS A 180 39.867 -5.773 5.385 1.00 20.41 C ATOM 2822 C HIS A 180 41.128 -6.574 5.675 1.00 20.84 C ATOM 2823 O HIS A 180 42.143 -6.405 4.999 1.00 21.13 O ATOM 2824 CB HIS A 180 38.954 -6.556 4.435 1.00 21.03 C ATOM 2825 CG HIS A 180 37.601 -5.940 4.240 1.00 21.37 C ATOM 2826 ND1 HIS A 180 36.465 -6.411 4.862 1.00 21.96 N ATOM 2827 CD2 HIS A 180 37.202 -4.893 3.480 1.00 21.34 C ATOM 2828 CE1 HIS A 180 35.430 -5.680 4.494 1.00 22.26 C ATOM 2829 NE2 HIS A 180 35.849 -4.753 3.656 1.00 21.90 N ATOM 0 H HIS A 180 40.148 -4.441 3.794 1.00 19.74 H new ATOM 0 HA HIS A 180 39.324 -5.601 6.314 1.00 20.41 H new ATOM 0 HB2 HIS A 180 39.445 -6.643 3.466 1.00 21.03 H new ATOM 0 HB3 HIS A 180 38.829 -7.568 4.821 1.00 21.03 H new ATOM 0 HD2 HIS A 180 37.832 -4.281 2.852 1.00 21.34 H new ATOM 0 HE1 HIS A 180 34.411 -5.818 4.824 1.00 22.26 H new ATOM 0 HE2 HIS A 180 35.263 -4.047 3.211 1.00 21.90 H new ATOM 2838 N HIS A 181 41.076 -7.432 6.679 1.00 20.99 N ATOM 2839 CA HIS A 181 42.238 -8.221 7.059 1.00 21.54 C ATOM 2840 C HIS A 181 42.296 -9.517 6.265 1.00 22.31 C ATOM 2841 O HIS A 181 41.364 -10.323 6.295 1.00 22.51 O ATOM 2842 CB HIS A 181 42.228 -8.526 8.558 1.00 21.37 C ATOM 2843 CG HIS A 181 42.500 -7.330 9.420 1.00 21.01 C ATOM 2844 ND1 HIS A 181 41.582 -6.813 10.307 1.00 20.83 N ATOM 2845 CD2 HIS A 181 43.608 -6.559 9.539 1.00 20.92 C ATOM 2846 CE1 HIS A 181 42.108 -5.778 10.930 1.00 20.64 C ATOM 2847 NE2 HIS A 181 43.336 -5.604 10.485 1.00 20.70 N ATOM 0 H HIS A 181 40.245 -7.601 7.245 1.00 20.99 H new ATOM 0 HA HIS A 181 43.126 -7.631 6.831 1.00 21.54 H new ATOM 0 HB2 HIS A 181 41.258 -8.944 8.828 1.00 21.37 H new ATOM 0 HB3 HIS A 181 42.975 -9.292 8.769 1.00 21.37 H new ATOM 0 HD2 HIS A 181 44.532 -6.675 8.992 1.00 20.92 H new ATOM 0 HE1 HIS A 181 41.616 -5.175 11.678 1.00 20.64 H new ATOM 0 HE2 HIS A 181 43.980 -4.876 10.794 1.00 20.70 H new ATOM 2856 N HIS A 182 43.397 -9.705 5.555 1.00 22.83 N ATOM 2857 CA HIS A 182 43.612 -10.904 4.762 1.00 23.69 C ATOM 2858 C HIS A 182 44.449 -11.899 5.557 1.00 24.16 C ATOM 2859 O HIS A 182 44.586 -13.063 5.183 1.00 24.40 O ATOM 2860 CB HIS A 182 44.309 -10.549 3.447 1.00 24.01 C ATOM 2861 CG HIS A 182 44.361 -11.674 2.462 1.00 24.24 C ATOM 2862 ND1 HIS A 182 45.511 -12.377 2.181 1.00 24.67 N ATOM 2863 CD2 HIS A 182 43.398 -12.202 1.672 1.00 24.22 C ATOM 2864 CE1 HIS A 182 45.255 -13.285 1.260 1.00 24.89 C ATOM 2865 NE2 HIS A 182 43.980 -13.200 0.935 1.00 24.63 N ATOM 0 H HIS A 182 44.164 -9.034 5.512 1.00 22.83 H new ATOM 0 HA HIS A 182 42.649 -11.358 4.528 1.00 23.69 H new ATOM 0 HB2 HIS A 182 43.793 -9.704 2.991 1.00 24.01 H new ATOM 0 HB3 HIS A 182 45.326 -10.222 3.664 1.00 24.01 H new ATOM 0 HD2 HIS A 182 42.364 -11.894 1.630 1.00 24.22 H new ATOM 0 HE1 HIS A 182 45.968 -13.980 0.843 1.00 24.89 H new ATOM 0 HE2 HIS A 182 43.504 -13.783 0.246 1.00 24.63 H new ATOM 2874 N HIS A 183 45.019 -11.423 6.656 1.00 24.38 N ATOM 2875 CA HIS A 183 45.751 -12.284 7.570 1.00 24.93 C ATOM 2876 C HIS A 183 44.776 -13.026 8.468 1.00 25.44 C ATOM 2877 O HIS A 183 43.908 -12.416 9.093 1.00 25.58 O ATOM 2878 CB HIS A 183 46.737 -11.475 8.417 1.00 25.08 C ATOM 2879 CG HIS A 183 47.952 -11.030 7.666 1.00 25.22 C ATOM 2880 ND1 HIS A 183 49.232 -11.353 8.050 1.00 25.36 N ATOM 2881 CD2 HIS A 183 48.079 -10.287 6.543 1.00 25.35 C ATOM 2882 CE1 HIS A 183 50.090 -10.831 7.199 1.00 25.56 C ATOM 2883 NE2 HIS A 183 49.419 -10.178 6.271 1.00 25.56 N ATOM 0 H HIS A 183 44.987 -10.442 6.935 1.00 24.38 H new ATOM 0 HA HIS A 183 46.322 -13.004 6.983 1.00 24.93 H new ATOM 0 HB2 HIS A 183 46.226 -10.599 8.815 1.00 25.08 H new ATOM 0 HB3 HIS A 183 47.049 -12.077 9.270 1.00 25.08 H new ATOM 0 HD2 HIS A 183 47.273 -9.858 5.966 1.00 25.35 H new ATOM 0 HE1 HIS A 183 51.165 -10.922 7.252 1.00 25.56 H new ATOM 0 HE2 HIS A 183 49.828 -9.676 5.483 1.00 25.56 H new ATOM 2892 N HIS A 184 44.899 -14.340 8.507 1.00 25.80 N ATOM 2893 CA HIS A 184 44.021 -15.158 9.330 1.00 26.40 C ATOM 2894 C HIS A 184 44.644 -15.367 10.705 1.00 26.96 C ATOM 2895 O HIS A 184 43.955 -15.690 11.671 1.00 27.37 O ATOM 2896 CB HIS A 184 43.759 -16.504 8.649 1.00 26.76 C ATOM 2897 CG HIS A 184 42.631 -17.292 9.252 1.00 26.84 C ATOM 2898 ND1 HIS A 184 41.338 -17.222 8.786 1.00 26.92 N ATOM 2899 CD2 HIS A 184 42.612 -18.182 10.273 1.00 26.96 C ATOM 2900 CE1 HIS A 184 40.571 -18.033 9.491 1.00 27.09 C ATOM 2901 NE2 HIS A 184 41.321 -18.627 10.398 1.00 27.11 N ATOM 0 H HIS A 184 45.597 -14.865 7.980 1.00 25.80 H new ATOM 0 HA HIS A 184 43.068 -14.643 9.453 1.00 26.40 H new ATOM 0 HB2 HIS A 184 43.542 -16.329 7.595 1.00 26.76 H new ATOM 0 HB3 HIS A 184 44.669 -17.103 8.692 1.00 26.76 H new ATOM 0 HD2 HIS A 184 43.456 -18.484 10.876 1.00 26.96 H new ATOM 0 HE1 HIS A 184 39.511 -18.184 9.349 1.00 27.09 H new ATOM 0 HE2 HIS A 184 40.994 -19.308 11.083 1.00 27.11 H new ATOM 2910 N HIS A 185 45.953 -15.181 10.784 1.00 27.04 N ATOM 2911 CA HIS A 185 46.668 -15.330 12.041 1.00 27.63 C ATOM 2912 C HIS A 185 47.209 -13.983 12.495 1.00 27.78 C ATOM 2913 O HIS A 185 46.442 -13.208 13.100 1.00 27.59 O ATOM 2914 CB HIS A 185 47.814 -16.336 11.899 1.00 28.05 C ATOM 2915 CG HIS A 185 47.361 -17.730 11.599 1.00 28.32 C ATOM 2916 ND1 HIS A 185 47.716 -18.410 10.454 1.00 28.85 N ATOM 2917 CD2 HIS A 185 46.583 -18.578 12.309 1.00 28.21 C ATOM 2918 CE1 HIS A 185 47.175 -19.611 10.472 1.00 29.06 C ATOM 2919 NE2 HIS A 185 46.483 -19.739 11.586 1.00 28.68 N ATOM 2920 OXT HIS A 185 48.395 -13.697 12.237 1.00 28.16 O ATOM 0 H HIS A 185 46.542 -14.926 9.991 1.00 27.04 H new ATOM 0 HA HIS A 185 45.972 -15.707 12.790 1.00 27.63 H new ATOM 0 HB2 HIS A 185 48.482 -16.002 11.105 1.00 28.05 H new ATOM 0 HB3 HIS A 185 48.395 -16.343 12.821 1.00 28.05 H new ATOM 0 HD2 HIS A 185 46.126 -18.378 13.267 1.00 28.21 H new ATOM 0 HE1 HIS A 185 47.281 -20.363 9.704 1.00 29.06 H new ATOM 0 HE2 HIS A 185 45.958 -20.568 11.865 1.00 28.68 H new TER 2929 HIS A 185 HETATM 2930 C ACE B1001 -16.927 -19.761 0.452 1.00 3.23 C HETATM 2931 O ACE B1001 -16.157 -20.682 0.164 1.00 3.56 O HETATM 2932 CH3 ACE B1001 -18.103 -19.461 -0.452 1.00 4.05 C HETATM 0 H1 ACE B1001 -19.031 -19.573 0.109 1.00 4.05 H new HETATM 0 H2 ACE B1001 -18.025 -18.440 -0.824 1.00 4.05 H new HETATM 0 H3 ACE B1001 -18.102 -20.155 -1.293 1.00 4.05 H new ATOM 2936 N GLY B1002 -16.757 -19.018 1.540 1.00 2.68 N ATOM 2937 CA GLY B1002 -15.640 -19.251 2.432 1.00 2.37 C ATOM 2938 C GLY B1002 -14.337 -18.789 1.822 1.00 2.24 C ATOM 2939 O GLY B1002 -13.382 -19.558 1.715 1.00 2.97 O ATOM 0 H GLY B1002 -17.376 -18.257 1.819 1.00 2.68 H new ATOM 0 HA2 GLY B1002 -15.809 -18.726 3.372 1.00 2.37 H new ATOM 0 HA3 GLY B1002 -15.576 -20.314 2.667 1.00 2.37 H new ATOM 2943 N CYS B1003 -14.299 -17.536 1.400 1.00 1.72 N ATOM 2944 CA CYS B1003 -13.119 -16.989 0.757 1.00 1.60 C ATOM 2945 C CYS B1003 -12.671 -15.721 1.464 1.00 1.42 C ATOM 2946 O CYS B1003 -12.833 -15.593 2.674 1.00 1.55 O ATOM 2947 CB CYS B1003 -13.416 -16.671 -0.706 1.00 1.63 C ATOM 2948 SG CYS B1003 -14.223 -18.022 -1.617 1.00 1.94 S ATOM 0 H CYS B1003 -15.074 -16.879 1.492 1.00 1.72 H new ATOM 0 HA CYS B1003 -12.323 -17.732 0.813 1.00 1.60 H new ATOM 0 HB2 CYS B1003 -14.052 -15.787 -0.752 1.00 1.63 H new ATOM 0 HB3 CYS B1003 -12.482 -16.418 -1.207 1.00 1.63 H new ATOM 2953 N VAL B1004 -12.071 -14.818 0.687 1.00 1.37 N ATOM 2954 CA VAL B1004 -11.663 -13.489 1.127 1.00 1.19 C ATOM 2955 C VAL B1004 -10.793 -13.528 2.399 1.00 1.19 C ATOM 2956 O VAL B1004 -9.584 -13.655 2.270 1.00 1.63 O ATOM 2957 CB VAL B1004 -12.870 -12.520 1.206 1.00 1.15 C ATOM 2958 CG1 VAL B1004 -13.595 -12.516 -0.125 1.00 1.41 C ATOM 2959 CG2 VAL B1004 -13.846 -12.833 2.325 1.00 1.42 C ATOM 0 H VAL B1004 -11.851 -14.999 -0.292 1.00 1.37 H new ATOM 0 HA VAL B1004 -11.005 -13.075 0.363 1.00 1.19 H new ATOM 0 HB VAL B1004 -12.463 -11.535 1.434 1.00 1.15 H new ATOM 0 HG11 VAL B1004 -14.445 -11.836 -0.074 1.00 1.41 H new ATOM 0 HG12 VAL B1004 -12.913 -12.187 -0.910 1.00 1.41 H new ATOM 0 HG13 VAL B1004 -13.949 -13.522 -0.350 1.00 1.41 H new ATOM 0 HG21 VAL B1004 -14.660 -12.109 2.311 1.00 1.42 H new ATOM 0 HG22 VAL B1004 -14.250 -13.836 2.186 1.00 1.42 H new ATOM 0 HG23 VAL B1004 -13.330 -12.780 3.284 1.00 1.42 H new ATOM 2969 N GLY B1005 -11.365 -13.411 3.602 1.00 1.02 N ATOM 2970 CA GLY B1005 -10.626 -13.757 4.814 1.00 1.07 C ATOM 2971 C GLY B1005 -9.884 -15.093 4.703 1.00 1.05 C ATOM 2972 O GLY B1005 -8.902 -15.332 5.406 1.00 1.20 O ATOM 0 H GLY B1005 -12.319 -13.086 3.759 1.00 1.02 H new ATOM 0 HA2 GLY B1005 -9.908 -12.966 5.033 1.00 1.07 H new ATOM 0 HA3 GLY B1005 -11.318 -13.801 5.655 1.00 1.07 H new ATOM 2976 N ARG B1006 -10.378 -15.975 3.838 1.00 1.08 N ATOM 2977 CA ARG B1006 -9.676 -17.213 3.505 1.00 1.08 C ATOM 2978 C ARG B1006 -8.656 -16.986 2.392 1.00 1.04 C ATOM 2979 O ARG B1006 -7.507 -17.403 2.491 1.00 1.10 O ATOM 2980 CB ARG B1006 -10.657 -18.291 3.035 1.00 1.14 C ATOM 2981 CG ARG B1006 -11.280 -19.120 4.141 1.00 1.24 C ATOM 2982 CD ARG B1006 -12.125 -18.283 5.078 1.00 1.55 C ATOM 2983 NE ARG B1006 -12.916 -19.117 5.983 1.00 1.88 N ATOM 2984 CZ ARG B1006 -13.902 -18.660 6.753 1.00 2.43 C ATOM 2985 NH1 ARG B1006 -14.209 -17.368 6.754 1.00 2.88 N ATOM 2986 NH2 ARG B1006 -14.571 -19.496 7.535 1.00 2.87 N ATOM 0 H ARG B1006 -11.267 -15.855 3.352 1.00 1.08 H new ATOM 0 HA ARG B1006 -9.168 -17.540 4.412 1.00 1.08 H new ATOM 0 HB2 ARG B1006 -11.455 -17.812 2.468 1.00 1.14 H new ATOM 0 HB3 ARG B1006 -10.137 -18.960 2.350 1.00 1.14 H new ATOM 0 HG2 ARG B1006 -11.897 -19.904 3.701 1.00 1.24 H new ATOM 0 HG3 ARG B1006 -10.492 -19.615 4.709 1.00 1.24 H new ATOM 0 HD2 ARG B1006 -11.480 -17.625 5.660 1.00 1.55 H new ATOM 0 HD3 ARG B1006 -12.790 -17.645 4.496 1.00 1.55 H new ATOM 0 HE ARG B1006 -12.698 -20.113 6.027 1.00 1.88 H new ATOM 0 HH11 ARG B1006 -13.689 -16.720 6.163 1.00 2.88 H new ATOM 0 HH12 ARG B1006 -14.965 -17.024 7.346 1.00 2.88 H new ATOM 0 HH21 ARG B1006 -14.330 -20.487 7.546 1.00 2.87 H new ATOM 0 HH22 ARG B1006 -15.326 -19.148 8.125 1.00 2.87 H new ATOM 3000 N ALA B1007 -9.094 -16.312 1.334 1.00 1.02 N ATOM 3001 CA ALA B1007 -8.324 -16.231 0.098 1.00 1.05 C ATOM 3002 C ALA B1007 -7.254 -15.150 0.147 1.00 1.02 C ATOM 3003 O ALA B1007 -6.090 -15.423 -0.122 1.00 1.31 O ATOM 3004 CB ALA B1007 -9.254 -15.993 -1.078 1.00 1.10 C ATOM 0 H ALA B1007 -9.982 -15.812 1.308 1.00 1.02 H new ATOM 0 HA ALA B1007 -7.810 -17.184 -0.025 1.00 1.05 H new ATOM 0 HB1 ALA B1007 -8.671 -15.934 -1.997 1.00 1.10 H new ATOM 0 HB2 ALA B1007 -9.965 -16.816 -1.152 1.00 1.10 H new ATOM 0 HB3 ALA B1007 -9.795 -15.058 -0.931 1.00 1.10 H new ATOM 3010 N LEU B1008 -7.653 -13.933 0.491 1.00 0.84 N ATOM 3011 CA LEU B1008 -6.740 -12.797 0.503 1.00 0.83 C ATOM 3012 C LEU B1008 -5.588 -13.049 1.461 1.00 0.78 C ATOM 3013 O LEU B1008 -4.431 -13.004 1.056 1.00 0.79 O ATOM 3014 CB LEU B1008 -7.472 -11.510 0.890 1.00 0.90 C ATOM 3015 CG LEU B1008 -8.180 -10.772 -0.245 1.00 0.88 C ATOM 3016 CD1 LEU B1008 -7.210 -10.494 -1.378 1.00 1.13 C ATOM 3017 CD2 LEU B1008 -9.381 -11.552 -0.745 1.00 1.33 C ATOM 0 H LEU B1008 -8.608 -13.706 0.767 1.00 0.84 H new ATOM 0 HA LEU B1008 -6.341 -12.677 -0.504 1.00 0.83 H new ATOM 0 HB2 LEU B1008 -8.210 -11.752 1.655 1.00 0.90 H new ATOM 0 HB3 LEU B1008 -6.752 -10.830 1.345 1.00 0.90 H new ATOM 0 HG LEU B1008 -8.543 -9.821 0.145 1.00 0.88 H new ATOM 0 HD11 LEU B1008 -7.728 -9.968 -2.180 1.00 1.13 H new ATOM 0 HD12 LEU B1008 -6.389 -9.878 -1.011 1.00 1.13 H new ATOM 0 HD13 LEU B1008 -6.815 -11.436 -1.758 1.00 1.13 H new ATOM 0 HD21 LEU B1008 -9.863 -11.000 -1.552 1.00 1.33 H new ATOM 0 HD22 LEU B1008 -9.055 -12.524 -1.114 1.00 1.33 H new ATOM 0 HD23 LEU B1008 -10.089 -11.693 0.072 1.00 1.33 H new ATOM 3029 N ALA B1009 -5.928 -13.280 2.729 1.00 0.78 N ATOM 3030 CA ALA B1009 -4.984 -13.736 3.743 1.00 0.78 C ATOM 3031 C ALA B1009 -3.899 -14.632 3.154 1.00 0.80 C ATOM 3032 O ALA B1009 -2.698 -14.402 3.315 1.00 0.76 O ATOM 3033 CB ALA B1009 -5.716 -14.524 4.806 1.00 0.88 C ATOM 0 H ALA B1009 -6.877 -13.154 3.082 1.00 0.78 H new ATOM 0 HA ALA B1009 -4.515 -12.847 4.166 1.00 0.78 H new ATOM 0 HB1 ALA B1009 -5.007 -14.862 5.561 1.00 0.88 H new ATOM 0 HB2 ALA B1009 -6.470 -13.891 5.274 1.00 0.88 H new ATOM 0 HB3 ALA B1009 -6.200 -15.388 4.350 1.00 0.88 H new ATOM 3039 N ALA B1010 -4.371 -15.660 2.461 1.00 0.89 N ATOM 3040 CA ALA B1010 -3.534 -16.690 1.876 1.00 0.94 C ATOM 3041 C ALA B1010 -2.694 -16.152 0.720 1.00 0.92 C ATOM 3042 O ALA B1010 -1.468 -16.279 0.714 1.00 0.92 O ATOM 3043 CB ALA B1010 -4.427 -17.815 1.393 1.00 1.03 C ATOM 0 H ALA B1010 -5.366 -15.801 2.288 1.00 0.89 H new ATOM 0 HA ALA B1010 -2.839 -17.051 2.634 1.00 0.94 H new ATOM 0 HB1 ALA B1010 -3.815 -18.600 0.949 1.00 1.03 H new ATOM 0 HB2 ALA B1010 -4.986 -18.223 2.235 1.00 1.03 H new ATOM 0 HB3 ALA B1010 -5.123 -17.432 0.647 1.00 1.03 H new ATOM 3049 N PHE B1011 -3.360 -15.556 -0.260 1.00 0.93 N ATOM 3050 CA PHE B1011 -2.687 -15.029 -1.440 1.00 0.93 C ATOM 3051 C PHE B1011 -1.750 -13.879 -1.070 1.00 0.85 C ATOM 3052 O PHE B1011 -0.787 -13.589 -1.783 1.00 0.89 O ATOM 3053 CB PHE B1011 -3.713 -14.557 -2.476 1.00 0.97 C ATOM 3054 CG PHE B1011 -4.369 -15.670 -3.255 1.00 1.12 C ATOM 3055 CD1 PHE B1011 -3.669 -16.336 -4.247 1.00 1.50 C ATOM 3056 CD2 PHE B1011 -5.687 -16.035 -3.020 1.00 1.18 C ATOM 3057 CE1 PHE B1011 -4.266 -17.340 -4.982 1.00 1.67 C ATOM 3058 CE2 PHE B1011 -6.287 -17.029 -3.753 1.00 1.32 C ATOM 3059 CZ PHE B1011 -5.579 -17.687 -4.736 1.00 1.46 C ATOM 0 H PHE B1011 -4.372 -15.425 -0.261 1.00 0.93 H new ATOM 0 HA PHE B1011 -2.091 -15.832 -1.872 1.00 0.93 H new ATOM 0 HB2 PHE B1011 -4.486 -13.981 -1.967 1.00 0.97 H new ATOM 0 HB3 PHE B1011 -3.221 -13.882 -3.176 1.00 0.97 H new ATOM 0 HD1 PHE B1011 -2.643 -16.066 -4.448 1.00 1.50 H new ATOM 0 HD2 PHE B1011 -6.249 -15.530 -2.249 1.00 1.18 H new ATOM 0 HE1 PHE B1011 -3.706 -17.854 -5.749 1.00 1.67 H new ATOM 0 HE2 PHE B1011 -7.315 -17.296 -3.559 1.00 1.32 H new ATOM 0 HZ PHE B1011 -6.050 -18.471 -5.311 1.00 1.46 H new ATOM 3069 N GLY B1012 -2.028 -13.244 0.056 1.00 0.78 N ATOM 3070 CA GLY B1012 -1.219 -12.139 0.520 1.00 0.72 C ATOM 3071 C GLY B1012 0.135 -12.578 1.035 1.00 0.73 C ATOM 3072 O GLY B1012 0.980 -11.748 1.368 1.00 0.78 O ATOM 0 H GLY B1012 -2.812 -13.479 0.665 1.00 0.78 H new ATOM 0 HA2 GLY B1012 -1.080 -11.429 -0.295 1.00 0.72 H new ATOM 0 HA3 GLY B1012 -1.751 -11.613 1.313 1.00 0.72 H new ATOM 3076 N ASP B1013 0.337 -13.881 1.120 1.00 0.78 N ATOM 3077 CA ASP B1013 1.623 -14.426 1.543 1.00 0.86 C ATOM 3078 C ASP B1013 2.639 -14.449 0.390 1.00 0.93 C ATOM 3079 O ASP B1013 3.800 -14.809 0.584 1.00 1.06 O ATOM 3080 CB ASP B1013 1.429 -15.839 2.111 1.00 0.98 C ATOM 3081 CG ASP B1013 2.661 -16.366 2.823 1.00 1.18 C ATOM 3082 OD1 ASP B1013 3.065 -15.767 3.840 1.00 1.90 O ATOM 3083 OD2 ASP B1013 3.228 -17.387 2.378 1.00 1.48 O ATOM 0 H ASP B1013 -0.370 -14.584 0.903 1.00 0.78 H new ATOM 0 HA ASP B1013 2.025 -13.775 2.319 1.00 0.86 H new ATOM 0 HB2 ASP B1013 0.589 -15.833 2.806 1.00 0.98 H new ATOM 0 HB3 ASP B1013 1.167 -16.518 1.300 1.00 0.98 H new ATOM 3088 N CYS B1014 2.223 -14.033 -0.807 1.00 0.93 N ATOM 3089 CA CYS B1014 3.087 -14.146 -1.978 1.00 1.06 C ATOM 3090 C CYS B1014 3.521 -12.770 -2.487 1.00 1.08 C ATOM 3091 O CYS B1014 3.864 -12.617 -3.657 1.00 1.44 O ATOM 3092 CB CYS B1014 2.355 -14.888 -3.093 1.00 1.12 C ATOM 3093 SG CYS B1014 1.211 -16.185 -2.513 1.00 1.34 S ATOM 0 H CYS B1014 1.308 -13.621 -0.988 1.00 0.93 H new ATOM 0 HA CYS B1014 3.978 -14.701 -1.683 1.00 1.06 H new ATOM 0 HB2 CYS B1014 1.795 -14.165 -3.686 1.00 1.12 H new ATOM 0 HB3 CYS B1014 3.092 -15.341 -3.756 1.00 1.12 H new ATOM 3098 N ILE B1015 3.512 -11.777 -1.608 1.00 1.14 N ATOM 3099 CA ILE B1015 3.875 -10.415 -1.994 1.00 1.23 C ATOM 3100 C ILE B1015 5.391 -10.267 -2.146 1.00 1.67 C ATOM 3101 O ILE B1015 6.129 -10.262 -1.159 1.00 2.20 O ATOM 3102 CB ILE B1015 3.319 -9.364 -0.987 1.00 1.32 C ATOM 3103 CG1 ILE B1015 1.876 -8.983 -1.341 1.00 2.19 C ATOM 3104 CG2 ILE B1015 4.185 -8.106 -0.954 1.00 1.41 C ATOM 3105 CD1 ILE B1015 0.911 -10.146 -1.380 1.00 2.91 C ATOM 0 H ILE B1015 3.259 -11.885 -0.626 1.00 1.14 H new ATOM 0 HA ILE B1015 3.415 -10.223 -2.963 1.00 1.23 H new ATOM 0 HB ILE B1015 3.339 -9.823 0.001 1.00 1.32 H new ATOM 0 HG12 ILE B1015 1.517 -8.254 -0.614 1.00 2.19 H new ATOM 0 HG13 ILE B1015 1.872 -8.491 -2.314 1.00 2.19 H new ATOM 0 HG21 ILE B1015 3.767 -7.395 -0.241 1.00 1.41 H new ATOM 0 HG22 ILE B1015 5.199 -8.370 -0.652 1.00 1.41 H new ATOM 0 HG23 ILE B1015 4.208 -7.654 -1.946 1.00 1.41 H new ATOM 0 HD11 ILE B1015 -0.084 -9.784 -1.638 1.00 2.91 H new ATOM 0 HD12 ILE B1015 1.240 -10.867 -2.128 1.00 2.91 H new ATOM 0 HD13 ILE B1015 0.880 -10.626 -0.402 1.00 2.91 H new ATOM 3117 N ASN B1016 5.834 -10.217 -3.403 1.00 2.03 N ATOM 3118 CA ASN B1016 7.224 -9.909 -3.754 1.00 2.59 C ATOM 3119 C ASN B1016 8.208 -10.881 -3.108 1.00 2.83 C ATOM 3120 O ASN B1016 8.707 -10.647 -2.004 1.00 3.29 O ATOM 3121 CB ASN B1016 7.566 -8.466 -3.369 1.00 3.32 C ATOM 3122 CG ASN B1016 8.944 -8.043 -3.842 1.00 3.73 C ATOM 3123 OD1 ASN B1016 9.938 -8.187 -3.126 1.00 4.03 O ATOM 3124 ND2 ASN B1016 9.014 -7.506 -5.049 1.00 4.29 N ATOM 0 H ASN B1016 5.237 -10.390 -4.212 1.00 2.03 H new ATOM 0 HA ASN B1016 7.319 -10.021 -4.834 1.00 2.59 H new ATOM 0 HB2 ASN B1016 6.819 -7.795 -3.793 1.00 3.32 H new ATOM 0 HB3 ASN B1016 7.510 -8.361 -2.286 1.00 3.32 H new ATOM 0 HD21 ASN B1016 9.913 -7.194 -5.417 1.00 4.29 H new ATOM 0 HD22 ASN B1016 8.169 -7.404 -5.611 1.00 4.29 H new ATOM 3131 N ARG B1017 8.472 -11.980 -3.793 1.00 3.18 N ATOM 3132 CA ARG B1017 9.400 -12.979 -3.292 1.00 3.90 C ATOM 3133 C ARG B1017 10.030 -13.749 -4.450 1.00 4.54 C ATOM 3134 O ARG B1017 11.170 -13.488 -4.834 1.00 5.06 O ATOM 3135 CB ARG B1017 8.677 -13.935 -2.338 1.00 4.55 C ATOM 3136 CG ARG B1017 9.603 -14.881 -1.596 1.00 5.10 C ATOM 3137 CD ARG B1017 8.827 -15.755 -0.629 1.00 5.97 C ATOM 3138 NE ARG B1017 9.694 -16.654 0.123 1.00 6.51 N ATOM 3139 CZ ARG B1017 9.259 -17.728 0.773 1.00 7.49 C ATOM 3140 NH1 ARG B1017 7.966 -18.025 0.775 1.00 8.03 N ATOM 3141 NH2 ARG B1017 10.116 -18.499 1.428 1.00 8.17 N ATOM 0 H ARG B1017 8.057 -12.203 -4.698 1.00 3.18 H new ATOM 0 HA ARG B1017 10.197 -12.476 -2.744 1.00 3.90 H new ATOM 0 HB2 ARG B1017 8.113 -13.350 -1.611 1.00 4.55 H new ATOM 0 HB3 ARG B1017 7.954 -14.521 -2.905 1.00 4.55 H new ATOM 0 HG2 ARG B1017 10.137 -15.508 -2.310 1.00 5.10 H new ATOM 0 HG3 ARG B1017 10.354 -14.308 -1.052 1.00 5.10 H new ATOM 0 HD2 ARG B1017 8.274 -15.122 0.065 1.00 5.97 H new ATOM 0 HD3 ARG B1017 8.092 -16.340 -1.182 1.00 5.97 H new ATOM 0 HE ARG B1017 10.692 -16.446 0.152 1.00 6.51 H new ATOM 0 HH11 ARG B1017 7.305 -17.429 0.277 1.00 8.03 H new ATOM 0 HH12 ARG B1017 7.633 -18.850 1.274 1.00 8.03 H new ATOM 0 HH21 ARG B1017 11.109 -18.268 1.433 1.00 8.17 H new ATOM 0 HH22 ARG B1017 9.782 -19.323 1.927 1.00 8.17 H new HETATM 3155 N NH2 B1018 9.287 -14.693 -5.009 1.00 4.96 N TER 3158 NH2 B1018 HETATM 3159 C1 33B B1100 -13.071 -19.385 -1.288 1.00 1.93 C HETATM 3160 C2 33B B1100 -11.602 -18.936 -1.369 1.00 1.78 C HETATM 3161 O2 33B B1100 -11.278 -17.936 -2.004 1.00 2.16 O HETATM 3162 N3 33B B1100 -10.748 -19.689 -0.676 1.00 1.51 N HETATM 3163 C4 33B B1100 -9.425 -19.593 -0.894 1.00 1.44 C HETATM 3164 C5 33B B1100 -8.553 -19.689 0.195 1.00 1.42 C HETATM 3165 C6 33B B1100 -8.893 -19.402 -2.184 1.00 1.47 C HETATM 3166 S6 33B B1100 -9.896 -19.390 -3.622 1.00 1.71 S HETATM 3167 C7 33B B1100 -7.173 -19.611 0.000 1.00 1.43 C HETATM 3168 C8 33B B1100 -7.521 -19.313 -2.355 1.00 1.42 C HETATM 3169 C9 33B B1100 -6.665 -19.429 -1.279 1.00 1.39 C HETATM 3170 N10 33B B1100 -5.354 -19.412 -1.508 1.00 1.40 N HETATM 3171 N11 33B B1100 -4.529 -19.528 -0.607 1.00 1.51 N HETATM 3172 C12 33B B1100 -3.239 -19.486 -0.926 1.00 1.54 C HETATM 3173 C13 33B B1100 -2.251 -19.538 0.054 1.00 1.75 C HETATM 3174 C14 33B B1100 -2.890 -19.322 -2.250 1.00 1.42 C HETATM 3175 C15 33B B1100 -0.912 -19.407 -0.305 1.00 1.78 C HETATM 3176 C16 33B B1100 -1.558 -19.201 -2.613 1.00 1.45 C HETATM 3177 C17 33B B1100 -0.568 -19.234 -1.644 1.00 1.60 C HETATM 3178 S17 33B B1100 -1.116 -19.045 -4.295 1.00 1.38 S HETATM 3179 N18 33B B1100 0.698 -19.035 -2.005 1.00 1.62 N HETATM 3180 C19 33B B1100 1.538 -18.514 -1.114 1.00 1.65 C HETATM 3181 O19 33B B1100 1.693 -18.944 0.029 1.00 1.92 O HETATM 3182 C20 33B B1100 2.317 -17.298 -1.618 1.00 1.43 C HETATM 3183 O61 33B B1100 -10.158 -17.977 -4.061 1.00 2.30 O HETATM 3184 O62 33B B1100 -11.195 -20.103 -3.383 1.00 2.30 O HETATM 3185 O63 33B B1100 -9.159 -20.094 -4.729 1.00 2.13 O HETATM 3186 O71 33B B1100 -2.304 -19.332 -5.174 1.00 1.73 O HETATM 3187 O72 33B B1100 -0.621 -17.654 -4.563 1.00 2.03 O HETATM 3188 O73 33B B1100 -0.021 -20.019 -4.617 1.00 2.14 O HETATM 0 HO72 33B B1100 0.060 -17.415 -3.899 1.00 2.03 H new HETATM 0 HO62 33B B1100 -11.736 -20.081 -4.200 1.00 2.30 H new HETATM 0 HN18 33B B1100 1.017 -19.276 -2.943 1.00 1.62 H new HETATM 0 HN3 33B B1100 -11.100 -20.342 0.024 1.00 1.51 H new HETATM 0 H8 33B B1100 -7.113 -19.149 -3.352 1.00 1.42 H new HETATM 0 H7 33B B1100 -6.496 -19.693 0.850 1.00 1.43 H new HETATM 0 H5 33B B1100 -8.952 -19.825 1.200 1.00 1.42 H new HETATM 0 H15 33B B1100 -0.135 -19.440 0.459 1.00 1.78 H new HETATM 0 H14 33B B1100 -3.666 -19.287 -3.015 1.00 1.42 H new HETATM 0 H13 33B B1100 -2.525 -19.681 1.099 1.00 1.75 H new