USER MOD reduce.3.24.130724 H: found=0, std=0, add=926, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 927 hydrogens (0 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 99 LYS NZ :NH3+ 152:sc= 0.527 (180deg=0) USER MOD Set 1.2: A 105 SER OG : rot 180:sc= 0.326 USER MOD Set 2.1: A 95 THR OG1 : rot 124:sc= 0.12 USER MOD Set 2.2: A 98 THR OG1 : rot 180:sc= -0.456 USER MOD Single : A 4 ASN : amide:sc= -3.45! K(o=-3.4!,f=-0.0011) USER MOD Single : A 8 ASN : amide:sc= -5.09! C(o=-5.1!,f=-7.4!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.389 X(o=-0.39,f=-0.12) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= -0.0529 USER MOD Single : A 25 ASN : amide:sc= 0.0405 X(o=0.04,f=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 29 ASN : amide:sc= -0.0306 X(o=-0.031,f=0) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 37 THR OG1 : rot -174:sc= 1.56 USER MOD Single : A 38 ASN : amide:sc= -1.18 X(o=-1.2,f=-1.3) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= -0.218 USER MOD Single : A 49 CYS SG : rot 180:sc= -0.241 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -137:sc= 1.48 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN : amide:sc= -6.89! C(o=-6.9!,f=-10!) USER MOD Single : A 68 ASN : amide:sc= -0.0658 X(o=-0.066,f=-0.49) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -0.195 X(o=-0.2,f=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -0.56 X(o=-0.56,f=-0.26) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=-0.0026) USER MOD Single : A 84 HIS : no HD1:sc= 0.122 K(o=0.12,f=-2.9!) USER MOD Single : A 91 GLN : amide:sc=-0.00122 X(o=-0.0012,f=-0.005) USER MOD Single : A 103 SER OG : rot -101:sc= 1.22 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 161:sc= -0.119 (180deg=-0.502) USER MOD ----------------------------------------------------------------- ATOM 40 N ASN A 4 -5.251 -12.357 -10.269 1.00 0.00 N ATOM 41 CA ASN A 4 -5.043 -11.120 -9.526 1.00 0.00 C ATOM 42 C ASN A 4 -4.432 -11.405 -8.153 1.00 0.00 C ATOM 43 O ASN A 4 -4.985 -12.184 -7.375 1.00 0.00 O ATOM 44 CB ASN A 4 -6.369 -10.373 -9.362 1.00 0.00 C ATOM 45 CG ASN A 4 -6.179 -8.871 -9.281 1.00 0.00 C ATOM 46 OD1 ASN A 4 -6.375 -8.155 -10.264 1.00 0.00 O ATOM 47 ND2 ASN A 4 -5.795 -8.385 -8.108 1.00 0.00 N ATOM 0 HA ASN A 4 -4.349 -10.497 -10.090 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -7.022 -10.609 -10.202 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -6.871 -10.722 -8.460 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -5.651 -7.382 -7.994 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -5.644 -9.015 -7.320 1.00 0.00 H new ATOM 54 N PRO A 5 -3.282 -10.779 -7.835 1.00 0.00 N ATOM 55 CA PRO A 5 -2.607 -10.978 -6.547 1.00 0.00 C ATOM 56 C PRO A 5 -3.516 -10.671 -5.362 1.00 0.00 C ATOM 57 O PRO A 5 -3.346 -11.227 -4.277 1.00 0.00 O ATOM 58 CB PRO A 5 -1.438 -9.990 -6.592 1.00 0.00 C ATOM 59 CG PRO A 5 -1.201 -9.745 -8.041 1.00 0.00 C ATOM 60 CD PRO A 5 -2.549 -9.833 -8.698 1.00 0.00 C ATOM 0 HA PRO A 5 -2.298 -12.014 -6.410 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -1.682 -9.065 -6.069 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -0.552 -10.404 -6.111 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -0.750 -8.766 -8.203 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -0.515 -10.484 -8.455 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -3.041 -8.861 -8.740 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -2.475 -10.197 -9.723 1.00 0.00 H new ATOM 68 N ALA A 6 -4.480 -9.782 -5.575 1.00 0.00 N ATOM 69 CA ALA A 6 -5.415 -9.406 -4.523 1.00 0.00 C ATOM 70 C ALA A 6 -6.374 -10.549 -4.204 1.00 0.00 C ATOM 71 O ALA A 6 -6.788 -10.724 -3.058 1.00 0.00 O ATOM 72 CB ALA A 6 -6.189 -8.161 -4.926 1.00 0.00 C ATOM 0 H ALA A 6 -4.634 -9.309 -6.466 1.00 0.00 H new ATOM 0 HA ALA A 6 -4.841 -9.188 -3.622 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -6.884 -7.891 -4.131 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -5.493 -7.339 -5.094 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.745 -8.359 -5.842 1.00 0.00 H new ATOM 78 N GLU A 7 -6.727 -11.327 -5.225 1.00 0.00 N ATOM 79 CA GLU A 7 -7.639 -12.451 -5.052 1.00 0.00 C ATOM 80 C GLU A 7 -6.959 -13.608 -4.328 1.00 0.00 C ATOM 81 O GLU A 7 -7.462 -14.101 -3.319 1.00 0.00 O ATOM 82 CB GLU A 7 -8.162 -12.923 -6.409 1.00 0.00 C ATOM 83 CG GLU A 7 -9.246 -12.031 -6.989 1.00 0.00 C ATOM 84 CD GLU A 7 -9.774 -12.542 -8.315 1.00 0.00 C ATOM 85 OE1 GLU A 7 -9.174 -12.212 -9.360 1.00 0.00 O ATOM 86 OE2 GLU A 7 -10.787 -13.272 -8.310 1.00 0.00 O ATOM 0 H GLU A 7 -6.394 -11.198 -6.180 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.476 -12.111 -4.442 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -7.330 -12.973 -7.112 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.553 -13.935 -6.306 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -10.069 -11.957 -6.278 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -8.850 -11.025 -7.123 1.00 0.00 H new ATOM 93 N ASN A 8 -5.813 -14.039 -4.850 1.00 0.00 N ATOM 94 CA ASN A 8 -5.073 -15.144 -4.249 1.00 0.00 C ATOM 95 C ASN A 8 -4.640 -14.798 -2.828 1.00 0.00 C ATOM 96 O ASN A 8 -4.449 -15.685 -1.995 1.00 0.00 O ATOM 97 CB ASN A 8 -3.853 -15.503 -5.102 1.00 0.00 C ATOM 98 CG ASN A 8 -3.050 -14.290 -5.520 1.00 0.00 C ATOM 99 OD1 ASN A 8 -3.031 -13.922 -6.694 1.00 0.00 O ATOM 100 ND2 ASN A 8 -2.375 -13.667 -4.562 1.00 0.00 N ATOM 0 H ASN A 8 -5.379 -13.642 -5.683 1.00 0.00 H new ATOM 0 HA ASN A 8 -5.735 -16.009 -4.206 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -3.211 -16.182 -4.541 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -4.183 -16.039 -5.992 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -1.811 -12.847 -4.786 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -2.420 -14.008 -3.602 1.00 0.00 H new ATOM 107 N PHE A 9 -4.490 -13.505 -2.557 1.00 0.00 N ATOM 108 CA PHE A 9 -4.091 -13.043 -1.233 1.00 0.00 C ATOM 109 C PHE A 9 -5.252 -13.176 -0.252 1.00 0.00 C ATOM 110 O PHE A 9 -5.107 -13.759 0.823 1.00 0.00 O ATOM 111 CB PHE A 9 -3.621 -11.587 -1.298 1.00 0.00 C ATOM 112 CG PHE A 9 -3.484 -10.930 0.048 1.00 0.00 C ATOM 113 CD1 PHE A 9 -2.487 -11.320 0.928 1.00 0.00 C ATOM 114 CD2 PHE A 9 -4.353 -9.921 0.430 1.00 0.00 C ATOM 115 CE1 PHE A 9 -2.359 -10.716 2.165 1.00 0.00 C ATOM 116 CE2 PHE A 9 -4.231 -9.313 1.666 1.00 0.00 C ATOM 117 CZ PHE A 9 -3.233 -9.711 2.534 1.00 0.00 C ATOM 0 H PHE A 9 -4.639 -12.759 -3.237 1.00 0.00 H new ATOM 0 HA PHE A 9 -3.265 -13.663 -0.884 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -2.659 -11.548 -1.810 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.326 -11.014 -1.901 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -1.802 -12.105 0.644 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.135 -9.606 -0.245 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -1.578 -11.029 2.842 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -4.915 -8.528 1.952 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.136 -9.237 3.500 1.00 0.00 H new ATOM 127 N ARG A 10 -6.403 -12.630 -0.635 1.00 0.00 N ATOM 128 CA ARG A 10 -7.594 -12.689 0.203 1.00 0.00 C ATOM 129 C ARG A 10 -7.955 -14.134 0.522 1.00 0.00 C ATOM 130 O ARG A 10 -8.402 -14.445 1.627 1.00 0.00 O ATOM 131 CB ARG A 10 -8.769 -12.000 -0.495 1.00 0.00 C ATOM 132 CG ARG A 10 -8.813 -10.497 -0.271 1.00 0.00 C ATOM 133 CD ARG A 10 -9.844 -9.831 -1.169 1.00 0.00 C ATOM 134 NE ARG A 10 -9.736 -8.376 -1.140 1.00 0.00 N ATOM 135 CZ ARG A 10 -10.681 -7.557 -1.596 1.00 0.00 C ATOM 136 NH1 ARG A 10 -11.798 -8.051 -2.112 1.00 0.00 N ATOM 137 NH2 ARG A 10 -10.508 -6.244 -1.535 1.00 0.00 N ATOM 0 H ARG A 10 -6.535 -12.142 -1.521 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.381 -12.168 1.137 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.712 -12.198 -1.565 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -9.701 -12.440 -0.139 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -9.050 -10.290 0.773 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -7.829 -10.070 -0.465 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -9.715 -10.184 -2.192 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -10.845 -10.127 -0.853 1.00 0.00 H new ATOM 0 HE ARG A 10 -8.889 -7.964 -0.748 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -11.935 -9.061 -2.160 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -12.521 -7.421 -2.461 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -9.650 -5.861 -1.138 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -11.233 -5.617 -1.885 1.00 0.00 H new ATOM 151 N VAL A 11 -7.756 -15.016 -0.453 1.00 0.00 N ATOM 152 CA VAL A 11 -8.055 -16.431 -0.274 1.00 0.00 C ATOM 153 C VAL A 11 -7.025 -17.088 0.639 1.00 0.00 C ATOM 154 O VAL A 11 -7.378 -17.839 1.547 1.00 0.00 O ATOM 155 CB VAL A 11 -8.086 -17.177 -1.622 1.00 0.00 C ATOM 156 CG1 VAL A 11 -8.380 -18.655 -1.413 1.00 0.00 C ATOM 157 CG2 VAL A 11 -9.112 -16.551 -2.554 1.00 0.00 C ATOM 0 H VAL A 11 -7.389 -14.775 -1.374 1.00 0.00 H new ATOM 0 HA VAL A 11 -9.042 -16.495 0.184 1.00 0.00 H new ATOM 0 HB VAL A 11 -7.103 -17.089 -2.085 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -8.397 -19.162 -2.378 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -7.605 -19.095 -0.785 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.349 -18.768 -0.926 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -9.120 -17.091 -3.501 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -10.100 -16.605 -2.097 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -8.852 -15.508 -2.733 1.00 0.00 H new ATOM 167 N LEU A 12 -5.750 -16.808 0.379 1.00 0.00 N ATOM 168 CA LEU A 12 -4.658 -17.360 1.176 1.00 0.00 C ATOM 169 C LEU A 12 -4.843 -17.056 2.663 1.00 0.00 C ATOM 170 O LEU A 12 -4.428 -17.836 3.519 1.00 0.00 O ATOM 171 CB LEU A 12 -3.319 -16.798 0.693 1.00 0.00 C ATOM 172 CG LEU A 12 -2.082 -17.547 1.195 1.00 0.00 C ATOM 173 CD1 LEU A 12 -1.985 -18.917 0.541 1.00 0.00 C ATOM 174 CD2 LEU A 12 -0.824 -16.735 0.924 1.00 0.00 C ATOM 0 H LEU A 12 -5.447 -16.199 -0.381 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.665 -18.443 1.049 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.312 -16.805 -0.397 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.246 -15.756 1.006 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.177 -17.688 2.272 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.100 -19.435 0.910 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.874 -19.500 0.784 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.912 -18.800 -0.540 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.047 -17.281 1.287 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.725 -16.565 -0.148 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.892 -15.777 1.439 1.00 0.00 H new ATOM 186 N VAL A 13 -5.456 -15.915 2.964 1.00 0.00 N ATOM 187 CA VAL A 13 -5.694 -15.523 4.351 1.00 0.00 C ATOM 188 C VAL A 13 -7.081 -15.953 4.816 1.00 0.00 C ATOM 189 O VAL A 13 -7.459 -15.727 5.966 1.00 0.00 O ATOM 190 CB VAL A 13 -5.539 -14.003 4.557 1.00 0.00 C ATOM 191 CG1 VAL A 13 -4.083 -13.591 4.416 1.00 0.00 C ATOM 192 CG2 VAL A 13 -6.416 -13.228 3.585 1.00 0.00 C ATOM 0 H VAL A 13 -5.796 -15.248 2.271 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.938 -16.033 4.949 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.867 -13.763 5.568 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.993 -12.515 4.565 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.484 -14.112 5.163 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.726 -13.851 3.419 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.287 -12.159 3.752 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.130 -13.473 2.562 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.460 -13.497 3.743 1.00 0.00 H new ATOM 202 N LYS A 14 -7.836 -16.574 3.914 1.00 0.00 N ATOM 203 CA LYS A 14 -9.184 -17.035 4.229 1.00 0.00 C ATOM 204 C LYS A 14 -9.339 -18.532 3.959 1.00 0.00 C ATOM 205 O LYS A 14 -10.370 -18.974 3.451 1.00 0.00 O ATOM 206 CB LYS A 14 -10.217 -16.250 3.418 1.00 0.00 C ATOM 207 CG LYS A 14 -10.640 -14.945 4.071 1.00 0.00 C ATOM 208 CD LYS A 14 -12.138 -14.719 3.942 1.00 0.00 C ATOM 209 CE LYS A 14 -12.467 -13.243 3.784 1.00 0.00 C ATOM 210 NZ LYS A 14 -13.466 -13.007 2.706 1.00 0.00 N ATOM 0 H LYS A 14 -7.537 -16.769 2.959 1.00 0.00 H new ATOM 0 HA LYS A 14 -9.354 -16.862 5.292 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -9.806 -16.036 2.432 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -11.098 -16.874 3.268 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -10.362 -14.957 5.125 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.104 -14.115 3.610 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -12.518 -15.272 3.083 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -12.644 -15.113 4.823 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -12.852 -12.854 4.727 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -11.555 -12.690 3.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -13.662 -11.988 2.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -13.089 -13.354 1.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -14.346 -13.513 2.931 1.00 0.00 H new ATOM 224 N GLN A 15 -8.314 -19.310 4.302 1.00 0.00 N ATOM 225 CA GLN A 15 -8.354 -20.758 4.098 1.00 0.00 C ATOM 226 C GLN A 15 -8.306 -21.499 5.423 1.00 0.00 C ATOM 227 O GLN A 15 -9.088 -22.418 5.664 1.00 0.00 O ATOM 228 CB GLN A 15 -7.182 -21.229 3.233 1.00 0.00 C ATOM 229 CG GLN A 15 -6.136 -20.161 2.970 1.00 0.00 C ATOM 230 CD GLN A 15 -4.744 -20.739 2.799 1.00 0.00 C ATOM 231 OE1 GLN A 15 -3.922 -20.692 3.713 1.00 0.00 O ATOM 232 NE2 GLN A 15 -4.474 -21.291 1.621 1.00 0.00 N ATOM 0 H GLN A 15 -7.450 -18.965 4.720 1.00 0.00 H new ATOM 0 HA GLN A 15 -9.292 -20.979 3.590 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -6.703 -22.079 3.720 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.569 -21.586 2.279 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -6.407 -19.605 2.073 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -6.132 -19.450 3.796 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -5.186 -21.308 0.891 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -3.555 -21.698 1.447 1.00 0.00 H new ATOM 241 N LYS A 16 -7.380 -21.092 6.282 1.00 0.00 N ATOM 242 CA LYS A 16 -7.209 -21.729 7.575 1.00 0.00 C ATOM 243 C LYS A 16 -6.781 -20.708 8.619 1.00 0.00 C ATOM 244 O LYS A 16 -7.580 -20.288 9.456 1.00 0.00 O ATOM 245 CB LYS A 16 -6.169 -22.844 7.464 1.00 0.00 C ATOM 246 CG LYS A 16 -5.774 -23.448 8.798 1.00 0.00 C ATOM 247 CD LYS A 16 -4.341 -23.954 8.780 1.00 0.00 C ATOM 248 CE LYS A 16 -4.235 -25.304 8.089 1.00 0.00 C ATOM 249 NZ LYS A 16 -3.100 -25.348 7.127 1.00 0.00 N ATOM 0 H LYS A 16 -6.736 -20.322 6.103 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.161 -22.158 7.888 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.562 -23.632 6.821 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.278 -22.449 6.976 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.887 -22.701 9.584 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.448 -24.270 9.040 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.705 -23.231 8.268 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.971 -24.037 9.802 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.107 -26.086 8.838 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.165 -25.516 7.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.062 -26.285 6.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.235 -24.619 6.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.209 -25.171 7.633 1.00 0.00 H new ATOM 263 N LYS A 17 -5.514 -20.314 8.565 1.00 0.00 N ATOM 264 CA LYS A 17 -4.984 -19.340 9.506 1.00 0.00 C ATOM 265 C LYS A 17 -3.671 -18.748 9.005 1.00 0.00 C ATOM 266 O LYS A 17 -2.593 -19.271 9.288 1.00 0.00 O ATOM 267 CB LYS A 17 -4.778 -19.985 10.879 1.00 0.00 C ATOM 268 CG LYS A 17 -5.783 -19.530 11.924 1.00 0.00 C ATOM 269 CD LYS A 17 -6.662 -20.679 12.389 1.00 0.00 C ATOM 270 CE LYS A 17 -8.096 -20.228 12.615 1.00 0.00 C ATOM 271 NZ LYS A 17 -9.070 -21.328 12.373 1.00 0.00 N ATOM 0 H LYS A 17 -4.838 -20.654 7.881 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.710 -18.532 9.597 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.840 -21.068 10.775 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.772 -19.756 11.231 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.255 -19.106 12.778 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.407 -18.738 11.510 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.643 -21.476 11.646 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.260 -21.095 13.313 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -8.205 -19.865 13.637 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -8.322 -19.391 11.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.036 -20.979 12.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -8.984 -21.658 11.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -8.871 -22.116 13.021 1.00 0.00 H new ATOM 285 N ALA A 18 -3.769 -17.652 8.258 1.00 0.00 N ATOM 286 CA ALA A 18 -2.589 -16.985 7.721 1.00 0.00 C ATOM 287 C ALA A 18 -2.268 -15.723 8.514 1.00 0.00 C ATOM 288 O ALA A 18 -1.211 -15.117 8.335 1.00 0.00 O ATOM 289 CB ALA A 18 -2.793 -16.650 6.251 1.00 0.00 C ATOM 0 H ALA A 18 -4.653 -17.208 8.011 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.743 -17.667 7.811 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.904 -16.152 5.864 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.968 -17.568 5.690 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -3.653 -15.989 6.144 1.00 0.00 H new ATOM 295 N SER A 19 -3.189 -15.338 9.393 1.00 0.00 N ATOM 296 CA SER A 19 -3.017 -14.151 10.226 1.00 0.00 C ATOM 297 C SER A 19 -2.748 -12.908 9.379 1.00 0.00 C ATOM 298 O SER A 19 -3.681 -12.241 8.930 1.00 0.00 O ATOM 299 CB SER A 19 -1.877 -14.365 11.224 1.00 0.00 C ATOM 300 OG SER A 19 -2.291 -15.184 12.304 1.00 0.00 O ATOM 0 H SER A 19 -4.067 -15.834 9.547 1.00 0.00 H new ATOM 0 HA SER A 19 -3.946 -13.990 10.773 1.00 0.00 H new ATOM 0 HB2 SER A 19 -1.029 -14.826 10.718 1.00 0.00 H new ATOM 0 HB3 SER A 19 -1.536 -13.402 11.604 1.00 0.00 H new ATOM 0 HG SER A 19 -1.544 -15.307 12.926 1.00 0.00 H new ATOM 306 N PHE A 20 -1.467 -12.612 9.157 1.00 0.00 N ATOM 307 CA PHE A 20 -1.063 -11.445 8.375 1.00 0.00 C ATOM 308 C PHE A 20 0.457 -11.295 8.374 1.00 0.00 C ATOM 309 O PHE A 20 0.984 -10.220 8.662 1.00 0.00 O ATOM 310 CB PHE A 20 -1.708 -10.173 8.938 1.00 0.00 C ATOM 311 CG PHE A 20 -2.320 -9.287 7.889 1.00 0.00 C ATOM 312 CD1 PHE A 20 -3.308 -9.768 7.044 1.00 0.00 C ATOM 313 CD2 PHE A 20 -1.907 -7.971 7.752 1.00 0.00 C ATOM 314 CE1 PHE A 20 -3.874 -8.952 6.082 1.00 0.00 C ATOM 315 CE2 PHE A 20 -2.469 -7.152 6.792 1.00 0.00 C ATOM 316 CZ PHE A 20 -3.454 -7.641 5.956 1.00 0.00 C ATOM 0 H PHE A 20 -0.688 -13.168 9.510 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.402 -11.592 7.350 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -2.478 -10.455 9.656 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -0.954 -9.606 9.484 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.639 -10.792 7.138 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -1.138 -7.582 8.403 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -4.643 -9.338 5.430 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -2.138 -6.129 6.695 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.895 -7.001 5.206 1.00 0.00 H new ATOM 326 N GLU A 21 1.156 -12.377 8.048 1.00 0.00 N ATOM 327 CA GLU A 21 2.616 -12.361 8.018 1.00 0.00 C ATOM 328 C GLU A 21 3.146 -12.881 6.685 1.00 0.00 C ATOM 329 O GLU A 21 3.676 -12.116 5.880 1.00 0.00 O ATOM 330 CB GLU A 21 3.177 -13.200 9.167 1.00 0.00 C ATOM 331 CG GLU A 21 4.152 -12.441 10.053 1.00 0.00 C ATOM 332 CD GLU A 21 4.520 -13.209 11.307 1.00 0.00 C ATOM 333 OE1 GLU A 21 5.211 -14.243 11.188 1.00 0.00 O ATOM 334 OE2 GLU A 21 4.119 -12.777 12.408 1.00 0.00 O ATOM 0 H GLU A 21 0.738 -13.274 7.801 1.00 0.00 H new ATOM 0 HA GLU A 21 2.944 -11.328 8.135 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.351 -13.564 9.778 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.679 -14.076 8.756 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.057 -12.222 9.487 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.713 -11.484 10.334 1.00 0.00 H new ATOM 341 N GLU A 22 3.006 -14.183 6.462 1.00 0.00 N ATOM 342 CA GLU A 22 3.472 -14.802 5.228 1.00 0.00 C ATOM 343 C GLU A 22 2.772 -14.198 4.015 1.00 0.00 C ATOM 344 O GLU A 22 3.413 -13.862 3.019 1.00 0.00 O ATOM 345 CB GLU A 22 3.235 -16.312 5.270 1.00 0.00 C ATOM 346 CG GLU A 22 1.885 -16.702 5.852 1.00 0.00 C ATOM 347 CD GLU A 22 1.557 -18.166 5.637 1.00 0.00 C ATOM 348 OE1 GLU A 22 1.156 -18.525 4.510 1.00 0.00 O ATOM 349 OE2 GLU A 22 1.704 -18.954 6.595 1.00 0.00 O ATOM 0 H GLU A 22 2.573 -14.830 7.121 1.00 0.00 H new ATOM 0 HA GLU A 22 4.541 -14.611 5.137 1.00 0.00 H new ATOM 0 HB2 GLU A 22 3.314 -16.712 4.259 1.00 0.00 H new ATOM 0 HB3 GLU A 22 4.024 -16.779 5.860 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.878 -16.485 6.920 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.107 -16.089 5.397 1.00 0.00 H new ATOM 356 N ALA A 23 1.452 -14.063 4.107 1.00 0.00 N ATOM 357 CA ALA A 23 0.662 -13.502 3.017 1.00 0.00 C ATOM 358 C ALA A 23 0.922 -12.007 2.856 1.00 0.00 C ATOM 359 O ALA A 23 0.763 -11.455 1.767 1.00 0.00 O ATOM 360 CB ALA A 23 -0.818 -13.758 3.255 1.00 0.00 C ATOM 0 H ALA A 23 0.907 -14.335 4.926 1.00 0.00 H new ATOM 0 HA ALA A 23 0.964 -13.996 2.093 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.397 -13.334 2.434 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.997 -14.832 3.309 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.122 -13.292 4.192 1.00 0.00 H new ATOM 366 N SER A 24 1.324 -11.355 3.944 1.00 0.00 N ATOM 367 CA SER A 24 1.603 -9.924 3.916 1.00 0.00 C ATOM 368 C SER A 24 2.923 -9.643 3.207 1.00 0.00 C ATOM 369 O SER A 24 2.962 -8.919 2.212 1.00 0.00 O ATOM 370 CB SER A 24 1.646 -9.365 5.340 1.00 0.00 C ATOM 371 OG SER A 24 2.582 -8.306 5.446 1.00 0.00 O ATOM 0 H SER A 24 1.463 -11.795 4.854 1.00 0.00 H new ATOM 0 HA SER A 24 0.802 -9.432 3.364 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.656 -9.009 5.624 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.911 -10.159 6.038 1.00 0.00 H new ATOM 0 HG SER A 24 2.588 -7.966 6.365 1.00 0.00 H new ATOM 377 N ASN A 25 4.002 -10.218 3.730 1.00 0.00 N ATOM 378 CA ASN A 25 5.326 -10.038 3.147 1.00 0.00 C ATOM 379 C ASN A 25 5.323 -10.424 1.672 1.00 0.00 C ATOM 380 O ASN A 25 5.923 -9.741 0.841 1.00 0.00 O ATOM 381 CB ASN A 25 6.358 -10.876 3.905 1.00 0.00 C ATOM 382 CG ASN A 25 6.923 -10.149 5.109 1.00 0.00 C ATOM 383 OD1 ASN A 25 7.779 -9.274 4.975 1.00 0.00 O ATOM 384 ND2 ASN A 25 6.444 -10.505 6.294 1.00 0.00 N ATOM 0 H ASN A 25 3.984 -10.813 4.558 1.00 0.00 H new ATOM 0 HA ASN A 25 5.595 -8.985 3.229 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.896 -11.808 4.231 1.00 0.00 H new ATOM 0 HB3 ASN A 25 7.172 -11.142 3.230 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.785 -10.048 7.140 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.735 -11.235 6.359 1.00 0.00 H new ATOM 391 N GLN A 26 4.645 -11.523 1.353 1.00 0.00 N ATOM 392 CA GLN A 26 4.559 -11.994 -0.024 1.00 0.00 C ATOM 393 C GLN A 26 3.908 -10.938 -0.908 1.00 0.00 C ATOM 394 O GLN A 26 4.411 -10.619 -1.987 1.00 0.00 O ATOM 395 CB GLN A 26 3.763 -13.298 -0.092 1.00 0.00 C ATOM 396 CG GLN A 26 4.626 -14.544 0.020 1.00 0.00 C ATOM 397 CD GLN A 26 3.831 -15.822 -0.161 1.00 0.00 C ATOM 398 OE1 GLN A 26 2.788 -16.011 0.465 1.00 0.00 O ATOM 399 NE2 GLN A 26 4.320 -16.708 -1.020 1.00 0.00 N ATOM 0 H GLN A 26 4.148 -12.103 2.029 1.00 0.00 H new ATOM 0 HA GLN A 26 5.570 -12.180 -0.388 1.00 0.00 H new ATOM 0 HB2 GLN A 26 3.024 -13.305 0.709 1.00 0.00 H new ATOM 0 HB3 GLN A 26 3.214 -13.330 -1.033 1.00 0.00 H new ATOM 0 HG2 GLN A 26 5.416 -14.503 -0.730 1.00 0.00 H new ATOM 0 HG3 GLN A 26 5.112 -14.558 0.995 1.00 0.00 H new ATOM 0 HE21 GLN A 26 5.188 -16.510 -1.518 1.00 0.00 H new ATOM 0 HE22 GLN A 26 3.828 -17.586 -1.182 1.00 0.00 H new ATOM 408 N LEU A 27 2.782 -10.402 -0.445 1.00 0.00 N ATOM 409 CA LEU A 27 2.063 -9.373 -1.186 1.00 0.00 C ATOM 410 C LEU A 27 2.968 -8.176 -1.459 1.00 0.00 C ATOM 411 O LEU A 27 3.032 -7.680 -2.585 1.00 0.00 O ATOM 412 CB LEU A 27 0.822 -8.926 -0.410 1.00 0.00 C ATOM 413 CG LEU A 27 -0.400 -8.573 -1.267 1.00 0.00 C ATOM 414 CD1 LEU A 27 -0.127 -7.336 -2.108 1.00 0.00 C ATOM 415 CD2 LEU A 27 -0.791 -9.747 -2.153 1.00 0.00 C ATOM 0 H LEU A 27 2.349 -10.664 0.440 1.00 0.00 H new ATOM 0 HA LEU A 27 1.749 -9.796 -2.140 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.542 -9.720 0.282 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.085 -8.057 0.192 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.233 -8.355 -0.599 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.006 -7.103 -2.708 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.099 -6.494 -1.454 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.722 -7.523 -2.766 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.660 -9.476 -2.753 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.040 -9.999 -2.811 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.034 -10.608 -1.530 1.00 0.00 H new ATOM 427 N ILE A 28 3.666 -7.714 -0.423 1.00 0.00 N ATOM 428 CA ILE A 28 4.567 -6.577 -0.564 1.00 0.00 C ATOM 429 C ILE A 28 5.694 -6.901 -1.542 1.00 0.00 C ATOM 430 O ILE A 28 6.171 -6.027 -2.268 1.00 0.00 O ATOM 431 CB ILE A 28 5.154 -6.147 0.803 1.00 0.00 C ATOM 432 CG1 ILE A 28 5.086 -4.626 0.952 1.00 0.00 C ATOM 433 CG2 ILE A 28 6.587 -6.636 0.972 1.00 0.00 C ATOM 434 CD1 ILE A 28 3.724 -4.122 1.378 1.00 0.00 C ATOM 0 H ILE A 28 3.624 -8.108 0.517 1.00 0.00 H new ATOM 0 HA ILE A 28 3.985 -5.744 -0.959 1.00 0.00 H new ATOM 0 HB ILE A 28 4.553 -6.607 1.587 1.00 0.00 H new ATOM 0 HG12 ILE A 28 5.828 -4.307 1.684 1.00 0.00 H new ATOM 0 HG13 ILE A 28 5.355 -4.163 0.003 1.00 0.00 H new ATOM 0 HG21 ILE A 28 6.968 -6.317 1.942 1.00 0.00 H new ATOM 0 HG22 ILE A 28 6.609 -7.724 0.913 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.210 -6.217 0.182 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.749 -3.036 1.464 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.981 -4.411 0.635 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.461 -4.556 2.342 1.00 0.00 H new ATOM 446 N ASN A 29 6.111 -8.165 -1.554 1.00 0.00 N ATOM 447 CA ASN A 29 7.170 -8.610 -2.451 1.00 0.00 C ATOM 448 C ASN A 29 6.704 -8.505 -3.895 1.00 0.00 C ATOM 449 O ASN A 29 7.433 -8.024 -4.763 1.00 0.00 O ATOM 450 CB ASN A 29 7.573 -10.050 -2.130 1.00 0.00 C ATOM 451 CG ASN A 29 9.074 -10.260 -2.200 1.00 0.00 C ATOM 452 OD1 ASN A 29 9.570 -10.998 -3.050 1.00 0.00 O ATOM 453 ND2 ASN A 29 9.805 -9.608 -1.302 1.00 0.00 N ATOM 0 H ASN A 29 5.731 -8.897 -0.953 1.00 0.00 H new ATOM 0 HA ASN A 29 8.040 -7.969 -2.311 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.219 -10.310 -1.132 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.081 -10.726 -2.829 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.820 -9.709 -1.300 1.00 0.00 H new ATOM 0 HD22 ASN A 29 9.351 -9.006 -0.615 1.00 0.00 H new ATOM 460 N HIS A 30 5.478 -8.960 -4.141 1.00 0.00 N ATOM 461 CA HIS A 30 4.900 -8.904 -5.476 1.00 0.00 C ATOM 462 C HIS A 30 4.811 -7.456 -5.934 1.00 0.00 C ATOM 463 O HIS A 30 5.134 -7.132 -7.077 1.00 0.00 O ATOM 464 CB HIS A 30 3.512 -9.547 -5.488 1.00 0.00 C ATOM 465 CG HIS A 30 3.417 -10.745 -6.382 1.00 0.00 C ATOM 466 ND1 HIS A 30 3.247 -10.654 -7.747 1.00 0.00 N ATOM 467 CD2 HIS A 30 3.468 -12.069 -6.098 1.00 0.00 C ATOM 468 CE1 HIS A 30 3.197 -11.868 -8.265 1.00 0.00 C ATOM 469 NE2 HIS A 30 3.330 -12.744 -7.286 1.00 0.00 N ATOM 0 H HIS A 30 4.869 -9.370 -3.433 1.00 0.00 H new ATOM 0 HA HIS A 30 5.541 -9.459 -6.161 1.00 0.00 H new ATOM 0 HB2 HIS A 30 3.247 -9.840 -4.472 1.00 0.00 H new ATOM 0 HB3 HIS A 30 2.780 -8.806 -5.808 1.00 0.00 H new ATOM 0 HD2 HIS A 30 3.594 -12.511 -5.120 1.00 0.00 H new ATOM 0 HE1 HIS A 30 3.069 -12.104 -9.311 1.00 0.00 H new ATOM 0 HE2 HIS A 30 3.330 -13.758 -7.395 1.00 0.00 H new ATOM 478 N ILE A 31 4.366 -6.588 -5.028 1.00 0.00 N ATOM 479 CA ILE A 31 4.252 -5.167 -5.328 1.00 0.00 C ATOM 480 C ILE A 31 5.601 -4.619 -5.774 1.00 0.00 C ATOM 481 O ILE A 31 5.704 -3.949 -6.804 1.00 0.00 O ATOM 482 CB ILE A 31 3.752 -4.363 -4.109 1.00 0.00 C ATOM 483 CG1 ILE A 31 2.339 -4.805 -3.722 1.00 0.00 C ATOM 484 CG2 ILE A 31 3.781 -2.869 -4.409 1.00 0.00 C ATOM 485 CD1 ILE A 31 1.899 -4.305 -2.363 1.00 0.00 C ATOM 0 H ILE A 31 4.080 -6.845 -4.083 1.00 0.00 H new ATOM 0 HA ILE A 31 3.522 -5.059 -6.130 1.00 0.00 H new ATOM 0 HB ILE A 31 4.417 -4.558 -3.268 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.637 -4.449 -4.476 1.00 0.00 H new ATOM 0 HG13 ILE A 31 2.292 -5.894 -3.732 1.00 0.00 H new ATOM 0 HG21 ILE A 31 3.425 -2.316 -3.539 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.802 -2.564 -4.640 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.137 -2.657 -5.262 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.888 -4.657 -2.156 1.00 0.00 H new ATOM 0 HD12 ILE A 31 2.579 -4.682 -1.599 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.913 -3.215 -2.354 1.00 0.00 H new ATOM 497 N GLU A 32 6.635 -4.905 -4.985 1.00 0.00 N ATOM 498 CA GLU A 32 7.985 -4.459 -5.306 1.00 0.00 C ATOM 499 C GLU A 32 8.372 -4.902 -6.712 1.00 0.00 C ATOM 500 O GLU A 32 8.941 -4.129 -7.484 1.00 0.00 O ATOM 501 CB GLU A 32 8.986 -5.012 -4.289 1.00 0.00 C ATOM 502 CG GLU A 32 9.019 -4.236 -2.983 1.00 0.00 C ATOM 503 CD GLU A 32 9.992 -4.824 -1.980 1.00 0.00 C ATOM 504 OE1 GLU A 32 9.575 -5.695 -1.189 1.00 0.00 O ATOM 505 OE2 GLU A 32 11.172 -4.412 -1.986 1.00 0.00 O ATOM 0 H GLU A 32 6.562 -5.442 -4.121 1.00 0.00 H new ATOM 0 HA GLU A 32 8.006 -3.370 -5.263 1.00 0.00 H new ATOM 0 HB2 GLU A 32 8.739 -6.052 -4.077 1.00 0.00 H new ATOM 0 HB3 GLU A 32 9.982 -5.005 -4.731 1.00 0.00 H new ATOM 0 HG2 GLU A 32 9.294 -3.201 -3.186 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.020 -4.221 -2.548 1.00 0.00 H new ATOM 512 N GLN A 33 8.058 -6.154 -7.036 1.00 0.00 N ATOM 513 CA GLN A 33 8.358 -6.699 -8.353 1.00 0.00 C ATOM 514 C GLN A 33 7.662 -5.874 -9.428 1.00 0.00 C ATOM 515 O GLN A 33 8.260 -5.532 -10.448 1.00 0.00 O ATOM 516 CB GLN A 33 7.914 -8.160 -8.441 1.00 0.00 C ATOM 517 CG GLN A 33 8.949 -9.143 -7.915 1.00 0.00 C ATOM 518 CD GLN A 33 8.463 -10.578 -7.957 1.00 0.00 C ATOM 519 OE1 GLN A 33 7.387 -10.897 -7.450 1.00 0.00 O ATOM 520 NE2 GLN A 33 9.256 -11.454 -8.563 1.00 0.00 N ATOM 0 H GLN A 33 7.596 -6.808 -6.404 1.00 0.00 H new ATOM 0 HA GLN A 33 9.435 -6.654 -8.512 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.988 -8.284 -7.879 1.00 0.00 H new ATOM 0 HB3 GLN A 33 7.691 -8.401 -9.480 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.861 -9.055 -8.505 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.206 -8.880 -6.889 1.00 0.00 H new ATOM 0 HE21 GLN A 33 10.139 -11.146 -8.970 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.982 -12.435 -8.622 1.00 0.00 H new ATOM 529 N PHE A 34 6.389 -5.570 -9.194 1.00 0.00 N ATOM 530 CA PHE A 34 5.611 -4.768 -10.131 1.00 0.00 C ATOM 531 C PHE A 34 6.326 -3.453 -10.424 1.00 0.00 C ATOM 532 O PHE A 34 6.219 -2.909 -11.524 1.00 0.00 O ATOM 533 CB PHE A 34 4.214 -4.493 -9.569 1.00 0.00 C ATOM 534 CG PHE A 34 3.244 -5.619 -9.791 1.00 0.00 C ATOM 535 CD1 PHE A 34 2.875 -5.990 -11.073 1.00 0.00 C ATOM 536 CD2 PHE A 34 2.703 -6.307 -8.715 1.00 0.00 C ATOM 537 CE1 PHE A 34 1.983 -7.026 -11.280 1.00 0.00 C ATOM 538 CE2 PHE A 34 1.812 -7.343 -8.916 1.00 0.00 C ATOM 539 CZ PHE A 34 1.451 -7.703 -10.200 1.00 0.00 C ATOM 0 H PHE A 34 5.875 -5.867 -8.364 1.00 0.00 H new ATOM 0 HA PHE A 34 5.509 -5.327 -11.061 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.294 -4.299 -8.499 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.818 -3.588 -10.029 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.289 -5.464 -11.921 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.981 -6.030 -7.709 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.703 -7.305 -12.285 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.398 -7.871 -8.070 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.754 -8.512 -10.359 1.00 0.00 H new ATOM 549 N LEU A 35 7.053 -2.945 -9.431 1.00 0.00 N ATOM 550 CA LEU A 35 7.793 -1.697 -9.586 1.00 0.00 C ATOM 551 C LEU A 35 9.095 -1.933 -10.344 1.00 0.00 C ATOM 552 O LEU A 35 9.624 -1.029 -10.989 1.00 0.00 O ATOM 553 CB LEU A 35 8.096 -1.083 -8.217 1.00 0.00 C ATOM 554 CG LEU A 35 6.873 -0.583 -7.444 1.00 0.00 C ATOM 555 CD1 LEU A 35 6.984 -0.952 -5.974 1.00 0.00 C ATOM 556 CD2 LEU A 35 6.720 0.921 -7.609 1.00 0.00 C ATOM 0 H LEU A 35 7.145 -3.378 -8.512 1.00 0.00 H new ATOM 0 HA LEU A 35 7.174 -1.005 -10.158 1.00 0.00 H new ATOM 0 HB2 LEU A 35 8.612 -1.826 -7.609 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.785 -0.250 -8.354 1.00 0.00 H new ATOM 0 HG LEU A 35 5.985 -1.066 -7.851 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.106 -0.588 -5.440 1.00 0.00 H new ATOM 0 HD12 LEU A 35 7.046 -2.036 -5.875 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.880 -0.497 -5.551 1.00 0.00 H new ATOM 0 HD21 LEU A 35 5.846 1.261 -7.053 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.610 1.421 -7.227 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.594 1.160 -8.665 1.00 0.00 H new ATOM 568 N ASP A 36 9.604 -3.159 -10.258 1.00 0.00 N ATOM 569 CA ASP A 36 10.843 -3.523 -10.936 1.00 0.00 C ATOM 570 C ASP A 36 10.722 -3.275 -12.436 1.00 0.00 C ATOM 571 O ASP A 36 11.620 -2.704 -13.056 1.00 0.00 O ATOM 572 CB ASP A 36 11.187 -4.992 -10.674 1.00 0.00 C ATOM 573 CG ASP A 36 12.575 -5.356 -11.163 1.00 0.00 C ATOM 574 OD1 ASP A 36 13.538 -5.206 -10.381 1.00 0.00 O ATOM 575 OD2 ASP A 36 12.699 -5.792 -12.327 1.00 0.00 O ATOM 0 H ASP A 36 9.177 -3.917 -9.725 1.00 0.00 H new ATOM 0 HA ASP A 36 11.645 -2.900 -10.540 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.117 -5.194 -9.605 1.00 0.00 H new ATOM 0 HB3 ASP A 36 10.452 -5.628 -11.168 1.00 0.00 H new ATOM 580 N THR A 37 9.608 -3.714 -13.010 1.00 0.00 N ATOM 581 CA THR A 37 9.355 -3.535 -14.435 1.00 0.00 C ATOM 582 C THR A 37 9.403 -2.058 -14.815 1.00 0.00 C ATOM 583 O THR A 37 10.332 -1.624 -15.497 1.00 0.00 O ATOM 584 CB THR A 37 7.988 -4.116 -14.839 1.00 0.00 C ATOM 585 OG1 THR A 37 7.205 -4.375 -13.669 1.00 0.00 O ATOM 586 CG2 THR A 37 8.158 -5.400 -15.637 1.00 0.00 C ATOM 0 H THR A 37 8.863 -4.198 -12.509 1.00 0.00 H new ATOM 0 HA THR A 37 10.139 -4.072 -14.969 1.00 0.00 H new ATOM 0 HB THR A 37 7.477 -3.385 -15.466 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.375 -4.828 -13.925 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.178 -5.791 -15.911 1.00 0.00 H new ATOM 0 HG22 THR A 37 8.731 -5.194 -16.541 1.00 0.00 H new ATOM 0 HG23 THR A 37 8.687 -6.137 -15.032 1.00 0.00 H new ATOM 594 N ASN A 38 8.379 -1.310 -14.385 1.00 0.00 N ATOM 595 CA ASN A 38 8.263 0.132 -14.643 1.00 0.00 C ATOM 596 C ASN A 38 7.462 0.394 -15.914 1.00 0.00 C ATOM 597 O ASN A 38 7.965 0.979 -16.873 1.00 0.00 O ATOM 598 CB ASN A 38 9.632 0.819 -14.732 1.00 0.00 C ATOM 599 CG ASN A 38 10.464 0.621 -13.482 1.00 0.00 C ATOM 600 OD1 ASN A 38 11.474 -0.081 -13.499 1.00 0.00 O ATOM 601 ND2 ASN A 38 10.043 1.243 -12.389 1.00 0.00 N ATOM 0 H ASN A 38 7.602 -1.690 -13.845 1.00 0.00 H new ATOM 0 HA ASN A 38 7.733 0.562 -13.793 1.00 0.00 H new ATOM 0 HB2 ASN A 38 10.176 0.428 -15.592 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.489 1.886 -14.904 1.00 0.00 H new ATOM 0 HD21 ASN A 38 10.563 1.149 -11.516 1.00 0.00 H new ATOM 0 HD22 ASN A 38 9.199 1.815 -12.421 1.00 0.00 H new ATOM 608 N GLU A 39 6.206 -0.048 -15.908 1.00 0.00 N ATOM 609 CA GLU A 39 5.318 0.136 -17.049 1.00 0.00 C ATOM 610 C GLU A 39 4.012 0.793 -16.611 1.00 0.00 C ATOM 611 O GLU A 39 3.822 1.087 -15.431 1.00 0.00 O ATOM 612 CB GLU A 39 5.028 -1.208 -17.720 1.00 0.00 C ATOM 613 CG GLU A 39 6.080 -1.618 -18.737 1.00 0.00 C ATOM 614 CD GLU A 39 5.616 -1.421 -20.168 1.00 0.00 C ATOM 615 OE1 GLU A 39 4.975 -2.342 -20.717 1.00 0.00 O ATOM 616 OE2 GLU A 39 5.893 -0.346 -20.739 1.00 0.00 O ATOM 0 H GLU A 39 5.781 -0.538 -15.121 1.00 0.00 H new ATOM 0 HA GLU A 39 5.814 0.789 -17.767 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.955 -1.979 -16.953 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.058 -1.157 -18.214 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.987 -1.037 -18.570 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.339 -2.666 -18.584 1.00 0.00 H new ATOM 623 N THR A 40 3.114 1.019 -17.565 1.00 0.00 N ATOM 624 CA THR A 40 1.830 1.646 -17.270 1.00 0.00 C ATOM 625 C THR A 40 0.816 0.641 -16.712 1.00 0.00 C ATOM 626 O THR A 40 0.181 0.910 -15.692 1.00 0.00 O ATOM 627 CB THR A 40 1.237 2.332 -18.518 1.00 0.00 C ATOM 628 OG1 THR A 40 2.147 3.325 -19.009 1.00 0.00 O ATOM 629 CG2 THR A 40 -0.101 2.984 -18.197 1.00 0.00 C ATOM 0 H THR A 40 3.251 0.778 -18.547 1.00 0.00 H new ATOM 0 HA THR A 40 2.025 2.400 -16.508 1.00 0.00 H new ATOM 0 HB THR A 40 1.079 1.570 -19.281 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.765 3.755 -19.802 1.00 0.00 H new ATOM 0 HG21 THR A 40 -0.498 3.461 -19.093 1.00 0.00 H new ATOM 0 HG22 THR A 40 -0.802 2.225 -17.849 1.00 0.00 H new ATOM 0 HG23 THR A 40 0.037 3.734 -17.418 1.00 0.00 H new ATOM 637 N PRO A 41 0.644 -0.531 -17.361 1.00 0.00 N ATOM 638 CA PRO A 41 -0.307 -1.550 -16.904 1.00 0.00 C ATOM 639 C PRO A 41 0.166 -2.258 -15.638 1.00 0.00 C ATOM 640 O PRO A 41 -0.589 -3.002 -15.013 1.00 0.00 O ATOM 641 CB PRO A 41 -0.377 -2.548 -18.073 1.00 0.00 C ATOM 642 CG PRO A 41 0.352 -1.900 -19.204 1.00 0.00 C ATOM 643 CD PRO A 41 1.342 -0.963 -18.580 1.00 0.00 C ATOM 0 HA PRO A 41 -1.271 -1.109 -16.649 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.084 -3.499 -17.804 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -1.411 -2.761 -18.345 1.00 0.00 H new ATOM 0 HG2 PRO A 41 0.856 -2.645 -19.820 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -0.338 -1.362 -19.854 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.285 -1.461 -18.353 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.574 -0.123 -19.234 1.00 0.00 H new ATOM 651 N TYR A 42 1.420 -2.021 -15.265 1.00 0.00 N ATOM 652 CA TYR A 42 1.993 -2.641 -14.076 1.00 0.00 C ATOM 653 C TYR A 42 1.700 -1.815 -12.826 1.00 0.00 C ATOM 654 O TYR A 42 1.455 -2.365 -11.753 1.00 0.00 O ATOM 655 CB TYR A 42 3.502 -2.823 -14.247 1.00 0.00 C ATOM 656 CG TYR A 42 3.875 -4.091 -14.983 1.00 0.00 C ATOM 657 CD1 TYR A 42 3.704 -4.194 -16.359 1.00 0.00 C ATOM 658 CD2 TYR A 42 4.396 -5.186 -14.305 1.00 0.00 C ATOM 659 CE1 TYR A 42 4.042 -5.351 -17.035 1.00 0.00 C ATOM 660 CE2 TYR A 42 4.735 -6.345 -14.974 1.00 0.00 C ATOM 661 CZ TYR A 42 4.557 -6.423 -16.338 1.00 0.00 C ATOM 662 OH TYR A 42 4.894 -7.577 -17.009 1.00 0.00 O ATOM 0 H TYR A 42 2.058 -1.405 -15.769 1.00 0.00 H new ATOM 0 HA TYR A 42 1.529 -3.619 -13.951 1.00 0.00 H new ATOM 0 HB2 TYR A 42 3.905 -1.966 -14.787 1.00 0.00 H new ATOM 0 HB3 TYR A 42 3.973 -2.830 -13.264 1.00 0.00 H new ATOM 0 HD1 TYR A 42 3.301 -3.356 -16.908 1.00 0.00 H new ATOM 0 HD2 TYR A 42 4.538 -5.130 -13.236 1.00 0.00 H new ATOM 0 HE1 TYR A 42 3.903 -5.415 -18.104 1.00 0.00 H new ATOM 0 HE2 TYR A 42 5.138 -7.187 -14.431 1.00 0.00 H new ATOM 0 HH TYR A 42 5.243 -8.235 -16.373 1.00 0.00 H new ATOM 672 N PHE A 43 1.724 -0.493 -12.971 1.00 0.00 N ATOM 673 CA PHE A 43 1.458 0.400 -11.848 1.00 0.00 C ATOM 674 C PHE A 43 -0.001 0.298 -11.413 1.00 0.00 C ATOM 675 O PHE A 43 -0.340 0.579 -10.262 1.00 0.00 O ATOM 676 CB PHE A 43 1.797 1.846 -12.218 1.00 0.00 C ATOM 677 CG PHE A 43 3.198 2.247 -11.852 1.00 0.00 C ATOM 678 CD1 PHE A 43 3.633 2.180 -10.538 1.00 0.00 C ATOM 679 CD2 PHE A 43 4.081 2.690 -12.823 1.00 0.00 C ATOM 680 CE1 PHE A 43 4.921 2.547 -10.200 1.00 0.00 C ATOM 681 CE2 PHE A 43 5.372 3.060 -12.491 1.00 0.00 C ATOM 682 CZ PHE A 43 5.792 2.988 -11.177 1.00 0.00 C ATOM 0 H PHE A 43 1.924 -0.018 -13.851 1.00 0.00 H new ATOM 0 HA PHE A 43 2.092 0.095 -11.015 1.00 0.00 H new ATOM 0 HB2 PHE A 43 1.658 1.980 -13.291 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.095 2.514 -11.720 1.00 0.00 H new ATOM 0 HD1 PHE A 43 2.957 1.837 -9.769 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.758 2.747 -13.852 1.00 0.00 H new ATOM 0 HE1 PHE A 43 5.247 2.489 -9.172 1.00 0.00 H new ATOM 0 HE2 PHE A 43 6.050 3.404 -13.258 1.00 0.00 H new ATOM 0 HZ PHE A 43 6.799 3.276 -10.914 1.00 0.00 H new ATOM 692 N MET A 44 -0.860 -0.106 -12.343 1.00 0.00 N ATOM 693 CA MET A 44 -2.281 -0.255 -12.055 1.00 0.00 C ATOM 694 C MET A 44 -2.503 -1.419 -11.097 1.00 0.00 C ATOM 695 O MET A 44 -3.432 -1.406 -10.286 1.00 0.00 O ATOM 696 CB MET A 44 -3.067 -0.484 -13.348 1.00 0.00 C ATOM 697 CG MET A 44 -3.104 0.731 -14.260 1.00 0.00 C ATOM 698 SD MET A 44 -4.121 0.468 -15.726 1.00 0.00 S ATOM 699 CE MET A 44 -4.008 2.074 -16.510 1.00 0.00 C ATOM 0 H MET A 44 -0.597 -0.336 -13.301 1.00 0.00 H new ATOM 0 HA MET A 44 -2.638 0.662 -11.587 1.00 0.00 H new ATOM 0 HB2 MET A 44 -2.625 -1.321 -13.889 1.00 0.00 H new ATOM 0 HB3 MET A 44 -4.088 -0.771 -13.097 1.00 0.00 H new ATOM 0 HG2 MET A 44 -3.489 1.586 -13.704 1.00 0.00 H new ATOM 0 HG3 MET A 44 -2.088 0.981 -14.567 1.00 0.00 H new ATOM 0 HE1 MET A 44 -4.588 2.070 -17.433 1.00 0.00 H new ATOM 0 HE2 MET A 44 -4.402 2.836 -15.837 1.00 0.00 H new ATOM 0 HE3 MET A 44 -2.965 2.295 -16.737 1.00 0.00 H new ATOM 709 N LYS A 45 -1.640 -2.425 -11.199 1.00 0.00 N ATOM 710 CA LYS A 45 -1.723 -3.599 -10.343 1.00 0.00 C ATOM 711 C LYS A 45 -1.176 -3.288 -8.954 1.00 0.00 C ATOM 712 O LYS A 45 -1.584 -3.896 -7.963 1.00 0.00 O ATOM 713 CB LYS A 45 -0.949 -4.763 -10.964 1.00 0.00 C ATOM 714 CG LYS A 45 -1.680 -6.093 -10.877 1.00 0.00 C ATOM 715 CD LYS A 45 -2.082 -6.599 -12.252 1.00 0.00 C ATOM 716 CE LYS A 45 -3.443 -7.274 -12.222 1.00 0.00 C ATOM 717 NZ LYS A 45 -4.097 -7.267 -13.560 1.00 0.00 N ATOM 0 H LYS A 45 -0.872 -2.448 -11.870 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.771 -3.883 -10.248 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.746 -4.537 -12.011 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.016 -4.855 -10.465 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -1.041 -6.829 -10.390 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.568 -5.981 -10.255 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.103 -5.766 -12.955 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -1.333 -7.303 -12.615 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -3.331 -8.302 -11.878 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.084 -6.766 -11.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.023 -7.737 -13.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.228 -6.285 -13.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.498 -7.774 -14.242 1.00 0.00 H new ATOM 731 N SER A 46 -0.254 -2.330 -8.889 1.00 0.00 N ATOM 732 CA SER A 46 0.344 -1.932 -7.621 1.00 0.00 C ATOM 733 C SER A 46 -0.712 -1.304 -6.722 1.00 0.00 C ATOM 734 O SER A 46 -0.883 -1.709 -5.573 1.00 0.00 O ATOM 735 CB SER A 46 1.489 -0.946 -7.854 1.00 0.00 C ATOM 736 OG SER A 46 2.207 -1.269 -9.033 1.00 0.00 O ATOM 0 H SER A 46 0.093 -1.817 -9.699 1.00 0.00 H new ATOM 0 HA SER A 46 0.746 -2.820 -7.132 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.092 0.066 -7.932 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.164 -0.958 -6.998 1.00 0.00 H new ATOM 0 HG SER A 46 2.933 -0.623 -9.161 1.00 0.00 H new ATOM 742 N ILE A 47 -1.414 -0.307 -7.255 1.00 0.00 N ATOM 743 CA ILE A 47 -2.469 0.364 -6.510 1.00 0.00 C ATOM 744 C ILE A 47 -3.558 -0.627 -6.128 1.00 0.00 C ATOM 745 O ILE A 47 -4.108 -0.573 -5.026 1.00 0.00 O ATOM 746 CB ILE A 47 -3.098 1.512 -7.325 1.00 0.00 C ATOM 747 CG1 ILE A 47 -2.007 2.383 -7.952 1.00 0.00 C ATOM 748 CG2 ILE A 47 -4.011 2.350 -6.443 1.00 0.00 C ATOM 749 CD1 ILE A 47 -2.476 3.151 -9.168 1.00 0.00 C ATOM 0 H ILE A 47 -1.270 0.052 -8.199 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.015 0.783 -5.612 1.00 0.00 H new ATOM 0 HB ILE A 47 -3.696 1.081 -8.128 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.641 3.088 -7.205 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.165 1.751 -8.233 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.447 3.156 -7.033 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.807 1.722 -6.042 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.434 2.773 -5.621 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.653 3.747 -9.562 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.815 2.451 -9.932 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.299 3.809 -8.888 1.00 0.00 H new ATOM 761 N ASP A 48 -3.865 -1.538 -7.051 1.00 0.00 N ATOM 762 CA ASP A 48 -4.881 -2.554 -6.807 1.00 0.00 C ATOM 763 C ASP A 48 -4.470 -3.431 -5.632 1.00 0.00 C ATOM 764 O ASP A 48 -5.315 -4.005 -4.940 1.00 0.00 O ATOM 765 CB ASP A 48 -5.089 -3.412 -8.057 1.00 0.00 C ATOM 766 CG ASP A 48 -6.550 -3.519 -8.448 1.00 0.00 C ATOM 767 OD1 ASP A 48 -7.052 -2.599 -9.127 1.00 0.00 O ATOM 768 OD2 ASP A 48 -7.192 -4.523 -8.074 1.00 0.00 O ATOM 0 H ASP A 48 -3.425 -1.591 -7.970 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.821 -2.057 -6.567 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.524 -2.985 -8.886 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -4.689 -4.410 -7.880 1.00 0.00 H new ATOM 773 N CYS A 49 -3.162 -3.524 -5.415 1.00 0.00 N ATOM 774 CA CYS A 49 -2.619 -4.319 -4.323 1.00 0.00 C ATOM 775 C CYS A 49 -2.623 -3.516 -3.028 1.00 0.00 C ATOM 776 O CYS A 49 -3.050 -4.009 -1.983 1.00 0.00 O ATOM 777 CB CYS A 49 -1.197 -4.775 -4.651 1.00 0.00 C ATOM 778 SG CYS A 49 -1.114 -6.349 -5.539 1.00 0.00 S ATOM 0 H CYS A 49 -2.457 -3.056 -5.985 1.00 0.00 H new ATOM 0 HA CYS A 49 -3.249 -5.199 -4.193 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -0.709 -4.006 -5.250 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -0.632 -4.863 -3.723 1.00 0.00 H new ATOM 0 HG CYS A 49 0.129 -6.650 -5.774 1.00 0.00 H new ATOM 784 N ILE A 50 -2.148 -2.273 -3.102 1.00 0.00 N ATOM 785 CA ILE A 50 -2.104 -1.402 -1.934 1.00 0.00 C ATOM 786 C ILE A 50 -3.512 -1.107 -1.432 1.00 0.00 C ATOM 787 O ILE A 50 -3.708 -0.742 -0.275 1.00 0.00 O ATOM 788 CB ILE A 50 -1.377 -0.073 -2.245 1.00 0.00 C ATOM 789 CG1 ILE A 50 -0.610 0.414 -1.012 1.00 0.00 C ATOM 790 CG2 ILE A 50 -2.360 0.990 -2.719 1.00 0.00 C ATOM 791 CD1 ILE A 50 0.447 1.450 -1.328 1.00 0.00 C ATOM 0 H ILE A 50 -1.790 -1.850 -3.958 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.546 -1.927 -1.159 1.00 0.00 H new ATOM 0 HB ILE A 50 -0.665 -0.254 -3.050 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.317 0.835 -0.297 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.137 -0.440 -0.528 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.822 1.914 -2.931 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.860 0.646 -3.624 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -3.102 1.172 -1.942 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.950 1.749 -0.408 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.176 1.027 -2.019 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.023 2.321 -1.785 1.00 0.00 H new ATOM 803 N ARG A 51 -4.488 -1.273 -2.317 1.00 0.00 N ATOM 804 CA ARG A 51 -5.881 -1.036 -1.971 1.00 0.00 C ATOM 805 C ARG A 51 -6.414 -2.198 -1.146 1.00 0.00 C ATOM 806 O ARG A 51 -6.950 -2.008 -0.055 1.00 0.00 O ATOM 807 CB ARG A 51 -6.727 -0.857 -3.234 1.00 0.00 C ATOM 808 CG ARG A 51 -6.734 0.568 -3.764 1.00 0.00 C ATOM 809 CD ARG A 51 -8.130 1.169 -3.726 1.00 0.00 C ATOM 810 NE ARG A 51 -8.143 2.551 -4.197 1.00 0.00 N ATOM 811 CZ ARG A 51 -9.077 3.048 -5.001 1.00 0.00 C ATOM 812 NH1 ARG A 51 -10.073 2.279 -5.423 1.00 0.00 N ATOM 813 NH2 ARG A 51 -9.020 4.317 -5.383 1.00 0.00 N ATOM 0 H ARG A 51 -4.338 -1.571 -3.281 1.00 0.00 H new ATOM 0 HA ARG A 51 -5.943 -0.121 -1.382 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -6.351 -1.523 -4.011 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -7.752 -1.162 -3.021 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -6.056 1.182 -3.170 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -6.360 0.579 -4.788 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -8.800 0.569 -4.342 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -8.514 1.130 -2.707 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.392 3.170 -3.891 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -10.123 1.303 -5.130 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -10.788 2.664 -6.040 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.258 4.913 -5.060 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -9.738 4.697 -6.000 1.00 0.00 H new ATOM 827 N ALA A 52 -6.260 -3.406 -1.681 1.00 0.00 N ATOM 828 CA ALA A 52 -6.712 -4.608 -0.992 1.00 0.00 C ATOM 829 C ALA A 52 -5.958 -4.800 0.321 1.00 0.00 C ATOM 830 O ALA A 52 -6.504 -5.326 1.292 1.00 0.00 O ATOM 831 CB ALA A 52 -6.538 -5.826 -1.886 1.00 0.00 C ATOM 0 H ALA A 52 -5.826 -3.577 -2.588 1.00 0.00 H new ATOM 0 HA ALA A 52 -7.771 -4.491 -0.761 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.880 -6.716 -1.358 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.124 -5.696 -2.796 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.485 -5.940 -2.145 1.00 0.00 H new ATOM 837 N PHE A 53 -4.700 -4.369 0.342 1.00 0.00 N ATOM 838 CA PHE A 53 -3.865 -4.492 1.534 1.00 0.00 C ATOM 839 C PHE A 53 -4.269 -3.468 2.593 1.00 0.00 C ATOM 840 O PHE A 53 -4.578 -3.826 3.729 1.00 0.00 O ATOM 841 CB PHE A 53 -2.390 -4.307 1.166 1.00 0.00 C ATOM 842 CG PHE A 53 -1.441 -5.076 2.043 1.00 0.00 C ATOM 843 CD1 PHE A 53 -1.528 -4.997 3.425 1.00 0.00 C ATOM 844 CD2 PHE A 53 -0.458 -5.877 1.484 1.00 0.00 C ATOM 845 CE1 PHE A 53 -0.653 -5.701 4.230 1.00 0.00 C ATOM 846 CE2 PHE A 53 0.420 -6.583 2.284 1.00 0.00 C ATOM 847 CZ PHE A 53 0.322 -6.496 3.659 1.00 0.00 C ATOM 0 H PHE A 53 -4.236 -3.931 -0.454 1.00 0.00 H new ATOM 0 HA PHE A 53 -4.010 -5.490 1.948 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -2.243 -4.615 0.131 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.142 -3.247 1.222 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.289 -4.378 3.877 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.377 -5.950 0.410 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -0.731 -5.630 5.305 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.182 -7.202 1.835 1.00 0.00 H new ATOM 0 HZ PHE A 53 1.006 -7.048 4.286 1.00 0.00 H new ATOM 857 N ARG A 54 -4.250 -2.192 2.213 1.00 0.00 N ATOM 858 CA ARG A 54 -4.616 -1.112 3.127 1.00 0.00 C ATOM 859 C ARG A 54 -5.934 -1.408 3.833 1.00 0.00 C ATOM 860 O ARG A 54 -6.061 -1.193 5.036 1.00 0.00 O ATOM 861 CB ARG A 54 -4.729 0.213 2.371 1.00 0.00 C ATOM 862 CG ARG A 54 -3.415 0.969 2.258 1.00 0.00 C ATOM 863 CD ARG A 54 -3.626 2.373 1.715 1.00 0.00 C ATOM 864 NE ARG A 54 -2.361 3.068 1.490 1.00 0.00 N ATOM 865 CZ ARG A 54 -2.015 3.612 0.327 1.00 0.00 C ATOM 866 NH1 ARG A 54 -2.835 3.543 -0.714 1.00 0.00 N ATOM 867 NH2 ARG A 54 -0.846 4.227 0.203 1.00 0.00 N ATOM 0 H ARG A 54 -3.985 -1.881 1.279 1.00 0.00 H new ATOM 0 HA ARG A 54 -3.829 -1.035 3.878 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -5.112 0.018 1.369 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.460 0.846 2.874 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -2.940 1.024 3.238 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.735 0.423 1.604 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -4.182 2.320 0.779 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.234 2.945 2.415 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.706 3.140 2.269 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.735 3.071 -0.624 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.565 3.962 -1.604 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.212 4.283 1.000 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.581 4.644 -0.689 1.00 0.00 H new ATOM 881 N GLU A 55 -6.908 -1.904 3.077 1.00 0.00 N ATOM 882 CA GLU A 55 -8.223 -2.217 3.628 1.00 0.00 C ATOM 883 C GLU A 55 -8.158 -3.376 4.619 1.00 0.00 C ATOM 884 O GLU A 55 -8.713 -3.295 5.716 1.00 0.00 O ATOM 885 CB GLU A 55 -9.200 -2.553 2.500 1.00 0.00 C ATOM 886 CG GLU A 55 -9.882 -1.334 1.903 1.00 0.00 C ATOM 887 CD GLU A 55 -10.911 -1.698 0.850 1.00 0.00 C ATOM 888 OE1 GLU A 55 -10.521 -1.873 -0.324 1.00 0.00 O ATOM 889 OE2 GLU A 55 -12.105 -1.808 1.200 1.00 0.00 O ATOM 0 H GLU A 55 -6.812 -2.098 2.080 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.574 -1.336 4.165 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.664 -3.082 1.712 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.961 -3.235 2.880 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -10.366 -0.767 2.698 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -9.129 -0.682 1.460 1.00 0.00 H new ATOM 896 N GLU A 56 -7.470 -4.447 4.236 1.00 0.00 N ATOM 897 CA GLU A 56 -7.352 -5.624 5.091 1.00 0.00 C ATOM 898 C GLU A 56 -6.581 -5.303 6.365 1.00 0.00 C ATOM 899 O GLU A 56 -6.786 -5.936 7.405 1.00 0.00 O ATOM 900 CB GLU A 56 -6.659 -6.761 4.335 1.00 0.00 C ATOM 901 CG GLU A 56 -7.580 -7.507 3.384 1.00 0.00 C ATOM 902 CD GLU A 56 -7.773 -8.958 3.779 1.00 0.00 C ATOM 903 OE1 GLU A 56 -6.838 -9.760 3.573 1.00 0.00 O ATOM 904 OE2 GLU A 56 -8.860 -9.293 4.296 1.00 0.00 O ATOM 0 H GLU A 56 -6.987 -4.525 3.341 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.358 -5.939 5.370 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.820 -6.353 3.771 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.245 -7.467 5.056 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.549 -7.009 3.357 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.170 -7.460 2.375 1.00 0.00 H new ATOM 911 N ALA A 57 -5.699 -4.312 6.285 1.00 0.00 N ATOM 912 CA ALA A 57 -4.895 -3.911 7.430 1.00 0.00 C ATOM 913 C ALA A 57 -5.668 -2.955 8.328 1.00 0.00 C ATOM 914 O ALA A 57 -5.857 -3.220 9.518 1.00 0.00 O ATOM 915 CB ALA A 57 -3.597 -3.268 6.964 1.00 0.00 C ATOM 0 H ALA A 57 -5.524 -3.772 5.437 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.657 -4.803 8.009 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -3.005 -2.973 7.831 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.032 -3.982 6.365 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.823 -2.388 6.362 1.00 0.00 H new ATOM 921 N ILE A 58 -6.116 -1.841 7.751 1.00 0.00 N ATOM 922 CA ILE A 58 -6.868 -0.850 8.508 1.00 0.00 C ATOM 923 C ILE A 58 -8.087 -1.489 9.157 1.00 0.00 C ATOM 924 O ILE A 58 -8.438 -1.166 10.292 1.00 0.00 O ATOM 925 CB ILE A 58 -7.316 0.340 7.632 1.00 0.00 C ATOM 926 CG1 ILE A 58 -8.293 -0.115 6.545 1.00 0.00 C ATOM 927 CG2 ILE A 58 -6.108 1.022 7.011 1.00 0.00 C ATOM 928 CD1 ILE A 58 -9.626 0.597 6.596 1.00 0.00 C ATOM 0 H ILE A 58 -5.971 -1.606 6.769 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.198 -0.466 9.278 1.00 0.00 H new ATOM 0 HB ILE A 58 -7.833 1.057 8.270 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.839 0.050 5.568 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -8.459 -1.188 6.643 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -6.439 1.859 6.396 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -5.452 1.389 7.800 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.566 0.308 6.391 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -10.268 0.225 5.798 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -10.101 0.412 7.560 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -9.471 1.668 6.468 1.00 0.00 H new ATOM 940 N LYS A 59 -8.727 -2.398 8.429 1.00 0.00 N ATOM 941 CA LYS A 59 -9.899 -3.092 8.939 1.00 0.00 C ATOM 942 C LYS A 59 -9.619 -3.671 10.316 1.00 0.00 C ATOM 943 O LYS A 59 -10.329 -3.370 11.276 1.00 0.00 O ATOM 944 CB LYS A 59 -10.325 -4.207 7.981 1.00 0.00 C ATOM 945 CG LYS A 59 -11.439 -3.801 7.032 1.00 0.00 C ATOM 946 CD LYS A 59 -12.141 -5.016 6.445 1.00 0.00 C ATOM 947 CE LYS A 59 -13.259 -4.610 5.498 1.00 0.00 C ATOM 948 NZ LYS A 59 -13.666 -5.731 4.607 1.00 0.00 N ATOM 0 H LYS A 59 -8.452 -2.670 7.485 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.712 -2.370 9.020 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -9.460 -4.524 7.398 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.651 -5.069 8.563 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -12.163 -3.182 7.562 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -11.028 -3.192 6.227 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.418 -5.633 5.912 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -12.549 -5.626 7.251 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -14.120 -4.274 6.076 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -12.933 -3.765 4.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.430 -5.414 3.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.851 -6.035 4.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -14.002 -6.529 5.184 1.00 0.00 H new ATOM 962 N PHE A 60 -8.575 -4.498 10.417 1.00 0.00 N ATOM 963 CA PHE A 60 -8.221 -5.114 11.695 1.00 0.00 C ATOM 964 C PHE A 60 -6.980 -5.990 11.566 1.00 0.00 C ATOM 965 O PHE A 60 -7.065 -7.216 11.648 1.00 0.00 O ATOM 966 CB PHE A 60 -9.387 -5.952 12.241 1.00 0.00 C ATOM 967 CG PHE A 60 -10.241 -6.592 11.178 1.00 0.00 C ATOM 968 CD1 PHE A 60 -9.732 -7.594 10.364 1.00 0.00 C ATOM 969 CD2 PHE A 60 -11.557 -6.193 10.998 1.00 0.00 C ATOM 970 CE1 PHE A 60 -10.519 -8.182 9.392 1.00 0.00 C ATOM 971 CE2 PHE A 60 -12.347 -6.778 10.026 1.00 0.00 C ATOM 972 CZ PHE A 60 -11.828 -7.774 9.223 1.00 0.00 C ATOM 0 H PHE A 60 -7.968 -4.753 9.638 1.00 0.00 H new ATOM 0 HA PHE A 60 -8.005 -4.305 12.393 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -8.987 -6.733 12.888 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -10.017 -5.315 12.862 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -8.710 -7.918 10.491 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -11.970 -5.416 11.625 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -10.111 -8.960 8.765 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -13.370 -6.456 9.895 1.00 0.00 H new ATOM 0 HZ PHE A 60 -12.444 -8.233 8.464 1.00 0.00 H new ATOM 982 N SER A 61 -5.825 -5.363 11.371 1.00 0.00 N ATOM 983 CA SER A 61 -4.582 -6.110 11.239 1.00 0.00 C ATOM 984 C SER A 61 -3.385 -5.303 11.725 1.00 0.00 C ATOM 985 O SER A 61 -3.150 -5.197 12.928 1.00 0.00 O ATOM 986 CB SER A 61 -4.380 -6.557 9.789 1.00 0.00 C ATOM 987 OG SER A 61 -4.544 -7.960 9.662 1.00 0.00 O ATOM 0 H SER A 61 -5.725 -4.350 11.302 1.00 0.00 H new ATOM 0 HA SER A 61 -4.658 -6.994 11.872 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.093 -6.044 9.144 1.00 0.00 H new ATOM 0 HB3 SER A 61 -3.383 -6.272 9.452 1.00 0.00 H new ATOM 0 HG SER A 61 -3.847 -8.319 9.075 1.00 0.00 H new ATOM 993 N GLU A 62 -2.628 -4.735 10.793 1.00 0.00 N ATOM 994 CA GLU A 62 -1.447 -3.958 11.149 1.00 0.00 C ATOM 995 C GLU A 62 -1.429 -2.614 10.432 1.00 0.00 C ATOM 996 O GLU A 62 -0.554 -2.348 9.608 1.00 0.00 O ATOM 997 CB GLU A 62 -0.178 -4.745 10.817 1.00 0.00 C ATOM 998 CG GLU A 62 -0.084 -6.079 11.538 1.00 0.00 C ATOM 999 CD GLU A 62 0.533 -5.954 12.917 1.00 0.00 C ATOM 1000 OE1 GLU A 62 1.774 -6.039 13.022 1.00 0.00 O ATOM 1001 OE2 GLU A 62 -0.226 -5.771 13.893 1.00 0.00 O ATOM 0 H GLU A 62 -2.809 -4.797 9.791 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.483 -3.768 12.222 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.139 -4.919 9.742 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.692 -4.141 11.074 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.081 -6.510 11.628 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.510 -6.770 10.940 1.00 0.00 H new ATOM 1008 N GLU A 63 -2.407 -1.775 10.746 1.00 0.00 N ATOM 1009 CA GLU A 63 -2.499 -0.449 10.141 1.00 0.00 C ATOM 1010 C GLU A 63 -1.203 0.341 10.341 1.00 0.00 C ATOM 1011 O GLU A 63 -0.790 1.107 9.468 1.00 0.00 O ATOM 1012 CB GLU A 63 -3.675 0.325 10.738 1.00 0.00 C ATOM 1013 CG GLU A 63 -3.613 0.454 12.251 1.00 0.00 C ATOM 1014 CD GLU A 63 -4.914 0.952 12.847 1.00 0.00 C ATOM 1015 OE1 GLU A 63 -5.982 0.660 12.269 1.00 0.00 O ATOM 1016 OE2 GLU A 63 -4.866 1.635 13.892 1.00 0.00 O ATOM 0 H GLU A 63 -3.148 -1.987 11.415 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.660 -0.580 9.071 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.704 1.322 10.298 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -4.605 -0.173 10.462 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.366 -0.515 12.685 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.809 1.138 12.521 1.00 0.00 H new ATOM 1023 N GLN A 64 -0.567 0.150 11.494 1.00 0.00 N ATOM 1024 CA GLN A 64 0.679 0.845 11.808 1.00 0.00 C ATOM 1025 C GLN A 64 1.827 0.328 10.946 1.00 0.00 C ATOM 1026 O GLN A 64 2.812 1.032 10.712 1.00 0.00 O ATOM 1027 CB GLN A 64 1.022 0.681 13.290 1.00 0.00 C ATOM 1028 CG GLN A 64 0.139 1.502 14.215 1.00 0.00 C ATOM 1029 CD GLN A 64 0.573 1.412 15.665 1.00 0.00 C ATOM 1030 OE1 GLN A 64 1.467 2.136 16.104 1.00 0.00 O ATOM 1031 NE2 GLN A 64 -0.059 0.521 16.418 1.00 0.00 N ATOM 0 H GLN A 64 -0.894 -0.480 12.227 1.00 0.00 H new ATOM 0 HA GLN A 64 0.537 1.904 11.591 1.00 0.00 H new ATOM 0 HB2 GLN A 64 0.936 -0.372 13.560 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.062 0.966 13.447 1.00 0.00 H new ATOM 0 HG2 GLN A 64 0.157 2.545 13.898 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -0.892 1.160 14.126 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -0.794 -0.059 16.013 1.00 0.00 H new ATOM 0 HE22 GLN A 64 0.190 0.416 17.401 1.00 0.00 H new ATOM 1040 N ARG A 65 1.697 -0.908 10.479 1.00 0.00 N ATOM 1041 CA ARG A 65 2.719 -1.508 9.633 1.00 0.00 C ATOM 1042 C ARG A 65 2.695 -0.850 8.260 1.00 0.00 C ATOM 1043 O ARG A 65 3.672 -0.905 7.506 1.00 0.00 O ATOM 1044 CB ARG A 65 2.490 -3.017 9.504 1.00 0.00 C ATOM 1045 CG ARG A 65 3.397 -3.687 8.487 1.00 0.00 C ATOM 1046 CD ARG A 65 3.113 -5.177 8.381 1.00 0.00 C ATOM 1047 NE ARG A 65 4.337 -5.957 8.215 1.00 0.00 N ATOM 1048 CZ ARG A 65 4.561 -7.118 8.824 1.00 0.00 C ATOM 1049 NH1 ARG A 65 3.645 -7.634 9.634 1.00 0.00 N ATOM 1050 NH2 ARG A 65 5.700 -7.766 8.622 1.00 0.00 N ATOM 0 H ARG A 65 0.897 -1.511 10.671 1.00 0.00 H new ATOM 0 HA ARG A 65 3.696 -1.349 10.089 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.643 -3.483 10.477 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.452 -3.195 9.225 1.00 0.00 H new ATOM 0 HG2 ARG A 65 3.260 -3.219 7.512 1.00 0.00 H new ATOM 0 HG3 ARG A 65 4.438 -3.534 8.770 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.589 -5.511 9.277 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.449 -5.360 7.536 1.00 0.00 H new ATOM 0 HE ARG A 65 5.061 -5.590 7.597 1.00 0.00 H new ATOM 0 HH11 ARG A 65 2.766 -7.140 9.791 1.00 0.00 H new ATOM 0 HH12 ARG A 65 3.820 -8.525 10.100 1.00 0.00 H new ATOM 0 HH21 ARG A 65 6.406 -7.374 7.999 1.00 0.00 H new ATOM 0 HH22 ARG A 65 5.870 -8.656 9.090 1.00 0.00 H new ATOM 1064 N PHE A 66 1.573 -0.203 7.955 1.00 0.00 N ATOM 1065 CA PHE A 66 1.404 0.473 6.679 1.00 0.00 C ATOM 1066 C PHE A 66 1.930 1.900 6.761 1.00 0.00 C ATOM 1067 O PHE A 66 2.649 2.348 5.870 1.00 0.00 O ATOM 1068 CB PHE A 66 -0.062 0.471 6.247 1.00 0.00 C ATOM 1069 CG PHE A 66 -0.260 -0.021 4.841 1.00 0.00 C ATOM 1070 CD1 PHE A 66 0.379 0.603 3.781 1.00 0.00 C ATOM 1071 CD2 PHE A 66 -1.074 -1.111 4.580 1.00 0.00 C ATOM 1072 CE1 PHE A 66 0.209 0.150 2.486 1.00 0.00 C ATOM 1073 CE2 PHE A 66 -1.250 -1.567 3.287 1.00 0.00 C ATOM 1074 CZ PHE A 66 -0.607 -0.938 2.239 1.00 0.00 C ATOM 0 H PHE A 66 0.768 -0.135 8.578 1.00 0.00 H new ATOM 0 HA PHE A 66 1.979 -0.071 5.929 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.635 -0.156 6.930 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.461 1.482 6.332 1.00 0.00 H new ATOM 0 HD1 PHE A 66 1.018 1.453 3.969 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.577 -1.610 5.395 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.713 0.645 1.669 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.891 -2.415 3.096 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.741 -1.295 1.229 1.00 0.00 H new ATOM 1084 N ASN A 67 1.578 2.610 7.836 1.00 0.00 N ATOM 1085 CA ASN A 67 2.049 3.980 8.010 1.00 0.00 C ATOM 1086 C ASN A 67 3.545 3.959 8.269 1.00 0.00 C ATOM 1087 O ASN A 67 4.236 4.968 8.112 1.00 0.00 O ATOM 1088 CB ASN A 67 1.319 4.706 9.148 1.00 0.00 C ATOM 1089 CG ASN A 67 0.915 3.810 10.288 1.00 0.00 C ATOM 1090 OD1 ASN A 67 1.763 3.331 11.037 1.00 0.00 O ATOM 1091 ND2 ASN A 67 -0.389 3.606 10.440 1.00 0.00 N ATOM 0 H ASN A 67 0.979 2.264 8.585 1.00 0.00 H new ATOM 0 HA ASN A 67 1.834 4.533 7.096 1.00 0.00 H new ATOM 0 HB2 ASN A 67 1.963 5.497 9.532 1.00 0.00 H new ATOM 0 HB3 ASN A 67 0.428 5.188 8.745 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -0.729 3.027 11.208 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -1.051 4.028 9.788 1.00 0.00 H new ATOM 1098 N ASN A 68 4.037 2.790 8.668 1.00 0.00 N ATOM 1099 CA ASN A 68 5.458 2.616 8.929 1.00 0.00 C ATOM 1100 C ASN A 68 6.206 2.533 7.604 1.00 0.00 C ATOM 1101 O ASN A 68 7.107 3.329 7.331 1.00 0.00 O ATOM 1102 CB ASN A 68 5.705 1.352 9.754 1.00 0.00 C ATOM 1103 CG ASN A 68 7.179 1.094 9.990 1.00 0.00 C ATOM 1104 OD1 ASN A 68 7.876 0.569 9.122 1.00 0.00 O ATOM 1105 ND2 ASN A 68 7.662 1.461 11.171 1.00 0.00 N ATOM 0 H ASN A 68 3.473 1.953 8.817 1.00 0.00 H new ATOM 0 HA ASN A 68 5.822 3.470 9.501 1.00 0.00 H new ATOM 0 HB2 ASN A 68 5.197 1.443 10.714 1.00 0.00 H new ATOM 0 HB3 ASN A 68 5.267 0.496 9.241 1.00 0.00 H new ATOM 0 HD21 ASN A 68 8.647 1.311 11.388 1.00 0.00 H new ATOM 0 HD22 ASN A 68 7.048 1.893 11.861 1.00 0.00 H new ATOM 1112 N PHE A 69 5.821 1.559 6.784 1.00 0.00 N ATOM 1113 CA PHE A 69 6.431 1.379 5.470 1.00 0.00 C ATOM 1114 C PHE A 69 6.163 2.588 4.575 1.00 0.00 C ATOM 1115 O PHE A 69 6.962 2.912 3.696 1.00 0.00 O ATOM 1116 CB PHE A 69 5.893 0.110 4.804 1.00 0.00 C ATOM 1117 CG PHE A 69 6.861 -0.522 3.845 1.00 0.00 C ATOM 1118 CD1 PHE A 69 7.816 -1.419 4.293 1.00 0.00 C ATOM 1119 CD2 PHE A 69 6.815 -0.217 2.494 1.00 0.00 C ATOM 1120 CE1 PHE A 69 8.708 -2.001 3.412 1.00 0.00 C ATOM 1121 CE2 PHE A 69 7.703 -0.796 1.608 1.00 0.00 C ATOM 1122 CZ PHE A 69 8.651 -1.689 2.068 1.00 0.00 C ATOM 0 H PHE A 69 5.090 0.883 7.006 1.00 0.00 H new ATOM 0 HA PHE A 69 7.508 1.281 5.608 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.635 -0.614 5.577 1.00 0.00 H new ATOM 0 HB3 PHE A 69 4.973 0.351 4.272 1.00 0.00 H new ATOM 0 HD1 PHE A 69 7.864 -1.667 5.343 1.00 0.00 H new ATOM 0 HD2 PHE A 69 6.076 0.481 2.129 1.00 0.00 H new ATOM 0 HE1 PHE A 69 9.448 -2.699 3.774 1.00 0.00 H new ATOM 0 HE2 PHE A 69 7.656 -0.551 0.557 1.00 0.00 H new ATOM 0 HZ PHE A 69 9.347 -2.143 1.378 1.00 0.00 H new ATOM 1132 N LEU A 70 5.032 3.246 4.809 1.00 0.00 N ATOM 1133 CA LEU A 70 4.660 4.422 4.026 1.00 0.00 C ATOM 1134 C LEU A 70 5.564 5.599 4.371 1.00 0.00 C ATOM 1135 O LEU A 70 6.065 6.288 3.484 1.00 0.00 O ATOM 1136 CB LEU A 70 3.192 4.794 4.254 1.00 0.00 C ATOM 1137 CG LEU A 70 2.248 4.413 3.109 1.00 0.00 C ATOM 1138 CD1 LEU A 70 0.795 4.545 3.540 1.00 0.00 C ATOM 1139 CD2 LEU A 70 2.522 5.276 1.886 1.00 0.00 C ATOM 0 H LEU A 70 4.359 2.988 5.531 1.00 0.00 H new ATOM 0 HA LEU A 70 4.788 4.178 2.971 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.847 4.310 5.167 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.126 5.869 4.419 1.00 0.00 H new ATOM 0 HG LEU A 70 2.431 3.371 2.847 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.143 4.269 2.711 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.605 3.885 4.386 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.594 5.576 3.832 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.843 4.993 1.081 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.368 6.325 2.139 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.552 5.129 1.560 1.00 0.00 H new ATOM 1151 N LYS A 71 5.760 5.831 5.666 1.00 0.00 N ATOM 1152 CA LYS A 71 6.622 6.915 6.125 1.00 0.00 C ATOM 1153 C LYS A 71 7.998 6.815 5.475 1.00 0.00 C ATOM 1154 O LYS A 71 8.585 7.823 5.076 1.00 0.00 O ATOM 1155 CB LYS A 71 6.757 6.880 7.648 1.00 0.00 C ATOM 1156 CG LYS A 71 5.937 7.946 8.356 1.00 0.00 C ATOM 1157 CD LYS A 71 6.348 8.089 9.813 1.00 0.00 C ATOM 1158 CE LYS A 71 5.294 8.834 10.617 1.00 0.00 C ATOM 1159 NZ LYS A 71 5.510 8.691 12.083 1.00 0.00 N ATOM 0 H LYS A 71 5.334 5.284 6.414 1.00 0.00 H new ATOM 0 HA LYS A 71 6.167 7.862 5.835 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.451 5.898 8.009 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.807 7.004 7.914 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.062 8.901 7.846 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.879 7.690 8.299 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.507 7.102 10.246 1.00 0.00 H new ATOM 0 HD3 LYS A 71 7.297 8.621 9.874 1.00 0.00 H new ATOM 0 HE2 LYS A 71 5.312 9.890 10.349 1.00 0.00 H new ATOM 0 HE3 LYS A 71 4.305 8.456 10.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 4.771 9.213 12.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 5.467 7.685 12.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.443 9.075 12.335 1.00 0.00 H new ATOM 1173 N ALA A 72 8.507 5.590 5.373 1.00 0.00 N ATOM 1174 CA ALA A 72 9.812 5.354 4.764 1.00 0.00 C ATOM 1175 C ALA A 72 9.726 5.464 3.245 1.00 0.00 C ATOM 1176 O ALA A 72 10.595 6.060 2.602 1.00 0.00 O ATOM 1177 CB ALA A 72 10.345 3.988 5.168 1.00 0.00 C ATOM 0 H ALA A 72 8.037 4.747 5.704 1.00 0.00 H new ATOM 0 HA ALA A 72 10.502 6.118 5.124 1.00 0.00 H new ATOM 0 HB1 ALA A 72 11.319 3.826 4.706 1.00 0.00 H new ATOM 0 HB2 ALA A 72 10.446 3.943 6.252 1.00 0.00 H new ATOM 0 HB3 ALA A 72 9.653 3.214 4.835 1.00 0.00 H new ATOM 1183 N LEU A 73 8.672 4.882 2.679 1.00 0.00 N ATOM 1184 CA LEU A 73 8.459 4.917 1.238 1.00 0.00 C ATOM 1185 C LEU A 73 8.437 6.355 0.741 1.00 0.00 C ATOM 1186 O LEU A 73 8.954 6.659 -0.331 1.00 0.00 O ATOM 1187 CB LEU A 73 7.148 4.216 0.875 1.00 0.00 C ATOM 1188 CG LEU A 73 6.846 4.138 -0.622 1.00 0.00 C ATOM 1189 CD1 LEU A 73 7.581 2.966 -1.253 1.00 0.00 C ATOM 1190 CD2 LEU A 73 5.348 4.021 -0.858 1.00 0.00 C ATOM 0 H LEU A 73 7.952 4.380 3.199 1.00 0.00 H new ATOM 0 HA LEU A 73 9.283 4.391 0.755 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.172 3.204 1.278 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.327 4.736 1.369 1.00 0.00 H new ATOM 0 HG LEU A 73 7.196 5.056 -1.093 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.355 2.926 -2.318 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.655 3.093 -1.115 1.00 0.00 H new ATOM 0 HD13 LEU A 73 7.261 2.038 -0.779 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.152 3.967 -1.929 1.00 0.00 H new ATOM 0 HD22 LEU A 73 4.973 3.119 -0.374 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.845 4.893 -0.441 1.00 0.00 H new ATOM 1202 N GLN A 74 7.823 7.233 1.529 1.00 0.00 N ATOM 1203 CA GLN A 74 7.739 8.647 1.186 1.00 0.00 C ATOM 1204 C GLN A 74 9.132 9.264 1.128 1.00 0.00 C ATOM 1205 O GLN A 74 9.501 9.911 0.144 1.00 0.00 O ATOM 1206 CB GLN A 74 6.882 9.395 2.205 1.00 0.00 C ATOM 1207 CG GLN A 74 6.547 10.819 1.791 1.00 0.00 C ATOM 1208 CD GLN A 74 7.066 11.849 2.774 1.00 0.00 C ATOM 1209 OE1 GLN A 74 6.308 12.395 3.578 1.00 0.00 O ATOM 1210 NE2 GLN A 74 8.364 12.123 2.716 1.00 0.00 N ATOM 0 H GLN A 74 7.375 6.988 2.412 1.00 0.00 H new ATOM 0 HA GLN A 74 7.273 8.733 0.204 1.00 0.00 H new ATOM 0 HB2 GLN A 74 5.955 8.844 2.362 1.00 0.00 H new ATOM 0 HB3 GLN A 74 7.405 9.417 3.161 1.00 0.00 H new ATOM 0 HG2 GLN A 74 6.971 11.016 0.806 1.00 0.00 H new ATOM 0 HG3 GLN A 74 5.466 10.922 1.699 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.956 11.647 2.035 1.00 0.00 H new ATOM 0 HE22 GLN A 74 8.769 12.809 3.353 1.00 0.00 H new ATOM 1219 N GLU A 75 9.897 9.069 2.194 1.00 0.00 N ATOM 1220 CA GLU A 75 11.255 9.597 2.265 1.00 0.00 C ATOM 1221 C GLU A 75 12.102 9.085 1.103 1.00 0.00 C ATOM 1222 O GLU A 75 13.030 9.760 0.655 1.00 0.00 O ATOM 1223 CB GLU A 75 11.906 9.211 3.594 1.00 0.00 C ATOM 1224 CG GLU A 75 11.936 10.343 4.607 1.00 0.00 C ATOM 1225 CD GLU A 75 12.651 9.959 5.889 1.00 0.00 C ATOM 1226 OE1 GLU A 75 12.066 9.199 6.690 1.00 0.00 O ATOM 1227 OE2 GLU A 75 13.794 10.418 6.092 1.00 0.00 O ATOM 0 H GLU A 75 9.602 8.550 3.021 1.00 0.00 H new ATOM 0 HA GLU A 75 11.198 10.683 2.197 1.00 0.00 H new ATOM 0 HB2 GLU A 75 11.366 8.366 4.022 1.00 0.00 H new ATOM 0 HB3 GLU A 75 12.926 8.876 3.406 1.00 0.00 H new ATOM 0 HG2 GLU A 75 12.430 11.208 4.165 1.00 0.00 H new ATOM 0 HG3 GLU A 75 10.915 10.644 4.841 1.00 0.00 H new ATOM 1234 N LYS A 76 11.768 7.895 0.610 1.00 0.00 N ATOM 1235 CA LYS A 76 12.509 7.291 -0.492 1.00 0.00 C ATOM 1236 C LYS A 76 12.040 7.855 -1.827 1.00 0.00 C ATOM 1237 O LYS A 76 12.840 8.366 -2.617 1.00 0.00 O ATOM 1238 CB LYS A 76 12.339 5.770 -0.478 1.00 0.00 C ATOM 1239 CG LYS A 76 13.378 5.050 0.366 1.00 0.00 C ATOM 1240 CD LYS A 76 14.186 4.067 -0.465 1.00 0.00 C ATOM 1241 CE LYS A 76 14.893 3.046 0.411 1.00 0.00 C ATOM 1242 NZ LYS A 76 14.136 1.767 0.496 1.00 0.00 N ATOM 0 H LYS A 76 10.991 7.332 0.956 1.00 0.00 H new ATOM 0 HA LYS A 76 13.565 7.530 -0.365 1.00 0.00 H new ATOM 0 HB2 LYS A 76 11.345 5.527 -0.101 1.00 0.00 H new ATOM 0 HB3 LYS A 76 12.392 5.397 -1.501 1.00 0.00 H new ATOM 0 HG2 LYS A 76 14.048 5.780 0.821 1.00 0.00 H new ATOM 0 HG3 LYS A 76 12.883 4.520 1.180 1.00 0.00 H new ATOM 0 HD2 LYS A 76 13.527 3.553 -1.165 1.00 0.00 H new ATOM 0 HD3 LYS A 76 14.921 4.610 -1.059 1.00 0.00 H new ATOM 0 HE2 LYS A 76 15.889 2.853 0.012 1.00 0.00 H new ATOM 0 HE3 LYS A 76 15.025 3.456 1.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 14.652 1.098 1.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 13.195 1.947 0.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 14.031 1.362 -0.456 1.00 0.00 H new ATOM 1256 N VAL A 77 10.738 7.761 -2.065 1.00 0.00 N ATOM 1257 CA VAL A 77 10.149 8.260 -3.298 1.00 0.00 C ATOM 1258 C VAL A 77 10.457 9.739 -3.471 1.00 0.00 C ATOM 1259 O VAL A 77 10.559 10.236 -4.592 1.00 0.00 O ATOM 1260 CB VAL A 77 8.624 8.049 -3.328 1.00 0.00 C ATOM 1261 CG1 VAL A 77 7.955 8.771 -2.173 1.00 0.00 C ATOM 1262 CG2 VAL A 77 8.052 8.520 -4.650 1.00 0.00 C ATOM 0 H VAL A 77 10.070 7.343 -1.418 1.00 0.00 H new ATOM 0 HA VAL A 77 10.589 7.694 -4.119 1.00 0.00 H new ATOM 0 HB VAL A 77 8.425 6.983 -3.222 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.878 8.607 -2.216 1.00 0.00 H new ATOM 0 HG12 VAL A 77 8.343 8.387 -1.230 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.162 9.839 -2.242 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.973 8.364 -4.656 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.266 9.581 -4.782 1.00 0.00 H new ATOM 0 HG23 VAL A 77 8.505 7.954 -5.464 1.00 0.00 H new ATOM 1272 N GLU A 78 10.605 10.437 -2.350 1.00 0.00 N ATOM 1273 CA GLU A 78 10.920 11.855 -2.379 1.00 0.00 C ATOM 1274 C GLU A 78 12.229 12.064 -3.119 1.00 0.00 C ATOM 1275 O GLU A 78 12.303 12.843 -4.070 1.00 0.00 O ATOM 1276 CB GLU A 78 11.024 12.414 -0.958 1.00 0.00 C ATOM 1277 CG GLU A 78 9.862 13.313 -0.571 1.00 0.00 C ATOM 1278 CD GLU A 78 10.274 14.763 -0.413 1.00 0.00 C ATOM 1279 OE1 GLU A 78 10.986 15.074 0.566 1.00 0.00 O ATOM 1280 OE2 GLU A 78 9.886 15.588 -1.266 1.00 0.00 O ATOM 0 H GLU A 78 10.512 10.043 -1.414 1.00 0.00 H new ATOM 0 HA GLU A 78 10.120 12.385 -2.896 1.00 0.00 H new ATOM 0 HB2 GLU A 78 11.081 11.584 -0.253 1.00 0.00 H new ATOM 0 HB3 GLU A 78 11.954 12.976 -0.865 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.083 13.241 -1.330 1.00 0.00 H new ATOM 0 HG3 GLU A 78 9.429 12.958 0.364 1.00 0.00 H new ATOM 1287 N ILE A 79 13.264 11.359 -2.674 1.00 0.00 N ATOM 1288 CA ILE A 79 14.571 11.453 -3.312 1.00 0.00 C ATOM 1289 C ILE A 79 14.532 10.842 -4.711 1.00 0.00 C ATOM 1290 O ILE A 79 14.474 11.559 -5.711 1.00 0.00 O ATOM 1291 CB ILE A 79 15.666 10.755 -2.479 1.00 0.00 C ATOM 1292 CG1 ILE A 79 15.858 11.479 -1.146 1.00 0.00 C ATOM 1293 CG2 ILE A 79 16.977 10.705 -3.250 1.00 0.00 C ATOM 1294 CD1 ILE A 79 15.755 10.569 0.056 1.00 0.00 C ATOM 0 H ILE A 79 13.224 10.721 -1.880 1.00 0.00 H new ATOM 0 HA ILE A 79 14.817 12.513 -3.383 1.00 0.00 H new ATOM 0 HB ILE A 79 15.348 9.732 -2.279 1.00 0.00 H new ATOM 0 HG12 ILE A 79 16.835 11.963 -1.142 1.00 0.00 H new ATOM 0 HG13 ILE A 79 15.111 12.268 -1.059 1.00 0.00 H new ATOM 0 HG21 ILE A 79 17.736 10.209 -2.645 1.00 0.00 H new ATOM 0 HG22 ILE A 79 16.833 10.151 -4.177 1.00 0.00 H new ATOM 0 HG23 ILE A 79 17.303 11.719 -3.480 1.00 0.00 H new ATOM 0 HD11 ILE A 79 15.902 11.151 0.966 1.00 0.00 H new ATOM 0 HD12 ILE A 79 14.769 10.104 0.077 1.00 0.00 H new ATOM 0 HD13 ILE A 79 16.520 9.795 -0.007 1.00 0.00 H new ATOM 1306 N LYS A 80 14.563 9.514 -4.774 1.00 0.00 N ATOM 1307 CA LYS A 80 14.524 8.807 -6.049 1.00 0.00 C ATOM 1308 C LYS A 80 14.140 7.344 -5.849 1.00 0.00 C ATOM 1309 O LYS A 80 14.840 6.602 -5.158 1.00 0.00 O ATOM 1310 CB LYS A 80 15.883 8.899 -6.744 1.00 0.00 C ATOM 1311 CG LYS A 80 15.887 8.327 -8.152 1.00 0.00 C ATOM 1312 CD LYS A 80 17.274 7.852 -8.557 1.00 0.00 C ATOM 1313 CE LYS A 80 17.226 6.996 -9.811 1.00 0.00 C ATOM 1314 NZ LYS A 80 17.200 7.824 -11.048 1.00 0.00 N ATOM 0 H LYS A 80 14.615 8.906 -3.957 1.00 0.00 H new ATOM 0 HA LYS A 80 13.768 9.279 -6.677 1.00 0.00 H new ATOM 0 HB2 LYS A 80 16.191 9.944 -6.785 1.00 0.00 H new ATOM 0 HB3 LYS A 80 16.625 8.371 -6.144 1.00 0.00 H new ATOM 0 HG2 LYS A 80 15.185 7.495 -8.210 1.00 0.00 H new ATOM 0 HG3 LYS A 80 15.541 9.085 -8.855 1.00 0.00 H new ATOM 0 HD2 LYS A 80 17.919 8.714 -8.728 1.00 0.00 H new ATOM 0 HD3 LYS A 80 17.716 7.280 -7.741 1.00 0.00 H new ATOM 0 HE2 LYS A 80 18.094 6.337 -9.834 1.00 0.00 H new ATOM 0 HE3 LYS A 80 16.342 6.359 -9.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 17.167 7.202 -11.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 16.359 8.435 -11.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 18.056 8.414 -11.089 1.00 0.00 H new ATOM 1328 N GLN A 81 13.031 6.935 -6.463 1.00 0.00 N ATOM 1329 CA GLN A 81 12.549 5.561 -6.353 1.00 0.00 C ATOM 1330 C GLN A 81 11.297 5.359 -7.203 1.00 0.00 C ATOM 1331 O GLN A 81 11.365 4.826 -8.311 1.00 0.00 O ATOM 1332 CB GLN A 81 12.249 5.212 -4.893 1.00 0.00 C ATOM 1333 CG GLN A 81 13.220 4.205 -4.300 1.00 0.00 C ATOM 1334 CD GLN A 81 12.782 2.771 -4.526 1.00 0.00 C ATOM 1335 OE1 GLN A 81 12.477 2.372 -5.650 1.00 0.00 O ATOM 1336 NE2 GLN A 81 12.751 1.986 -3.455 1.00 0.00 N ATOM 0 H GLN A 81 12.448 7.538 -7.043 1.00 0.00 H new ATOM 0 HA GLN A 81 13.332 4.898 -6.720 1.00 0.00 H new ATOM 0 HB2 GLN A 81 12.274 6.124 -4.297 1.00 0.00 H new ATOM 0 HB3 GLN A 81 11.237 4.814 -4.823 1.00 0.00 H new ATOM 0 HG2 GLN A 81 14.206 4.354 -4.740 1.00 0.00 H new ATOM 0 HG3 GLN A 81 13.318 4.387 -3.230 1.00 0.00 H new ATOM 0 HE21 GLN A 81 13.012 2.358 -2.542 1.00 0.00 H new ATOM 0 HE22 GLN A 81 12.466 1.011 -3.546 1.00 0.00 H new ATOM 1345 N LEU A 82 10.156 5.788 -6.672 1.00 0.00 N ATOM 1346 CA LEU A 82 8.884 5.658 -7.377 1.00 0.00 C ATOM 1347 C LEU A 82 8.185 7.010 -7.493 1.00 0.00 C ATOM 1348 O LEU A 82 7.034 7.163 -7.082 1.00 0.00 O ATOM 1349 CB LEU A 82 7.977 4.661 -6.652 1.00 0.00 C ATOM 1350 CG LEU A 82 8.091 4.671 -5.126 1.00 0.00 C ATOM 1351 CD1 LEU A 82 6.722 4.848 -4.490 1.00 0.00 C ATOM 1352 CD2 LEU A 82 8.748 3.390 -4.635 1.00 0.00 C ATOM 0 H LEU A 82 10.086 6.229 -5.755 1.00 0.00 H new ATOM 0 HA LEU A 82 9.089 5.289 -8.382 1.00 0.00 H new ATOM 0 HB2 LEU A 82 6.943 4.869 -6.925 1.00 0.00 H new ATOM 0 HB3 LEU A 82 8.205 3.658 -7.011 1.00 0.00 H new ATOM 0 HG LEU A 82 8.716 5.514 -4.831 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.823 4.853 -3.405 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.288 5.792 -4.818 1.00 0.00 H new ATOM 0 HD13 LEU A 82 6.072 4.026 -4.790 1.00 0.00 H new ATOM 0 HD21 LEU A 82 8.822 3.413 -3.548 1.00 0.00 H new ATOM 0 HD22 LEU A 82 8.148 2.533 -4.940 1.00 0.00 H new ATOM 0 HD23 LEU A 82 9.746 3.305 -5.065 1.00 0.00 H new ATOM 1364 N ASN A 83 8.887 7.986 -8.062 1.00 0.00 N ATOM 1365 CA ASN A 83 8.342 9.330 -8.227 1.00 0.00 C ATOM 1366 C ASN A 83 7.053 9.308 -9.045 1.00 0.00 C ATOM 1367 O ASN A 83 6.278 10.266 -9.025 1.00 0.00 O ATOM 1368 CB ASN A 83 9.371 10.238 -8.902 1.00 0.00 C ATOM 1369 CG ASN A 83 9.100 11.709 -8.649 1.00 0.00 C ATOM 1370 OD1 ASN A 83 9.161 12.177 -7.513 1.00 0.00 O ATOM 1371 ND2 ASN A 83 8.797 12.446 -9.711 1.00 0.00 N ATOM 0 H ASN A 83 9.836 7.871 -8.417 1.00 0.00 H new ATOM 0 HA ASN A 83 8.110 9.721 -7.236 1.00 0.00 H new ATOM 0 HB2 ASN A 83 10.367 9.987 -8.537 1.00 0.00 H new ATOM 0 HB3 ASN A 83 9.368 10.050 -9.976 1.00 0.00 H new ATOM 0 HD21 ASN A 83 8.604 13.442 -9.603 1.00 0.00 H new ATOM 0 HD22 ASN A 83 8.758 12.017 -10.635 1.00 0.00 H new ATOM 1378 N HIS A 84 6.828 8.212 -9.760 1.00 0.00 N ATOM 1379 CA HIS A 84 5.631 8.070 -10.583 1.00 0.00 C ATOM 1380 C HIS A 84 4.458 7.555 -9.756 1.00 0.00 C ATOM 1381 O HIS A 84 3.311 7.943 -9.979 1.00 0.00 O ATOM 1382 CB HIS A 84 5.889 7.126 -11.764 1.00 0.00 C ATOM 1383 CG HIS A 84 7.262 6.527 -11.779 1.00 0.00 C ATOM 1384 ND1 HIS A 84 7.707 5.640 -10.822 1.00 0.00 N ATOM 1385 CD2 HIS A 84 8.291 6.693 -12.644 1.00 0.00 C ATOM 1386 CE1 HIS A 84 8.950 5.286 -11.096 1.00 0.00 C ATOM 1387 NE2 HIS A 84 9.327 5.909 -12.196 1.00 0.00 N ATOM 0 H HIS A 84 7.457 7.409 -9.787 1.00 0.00 H new ATOM 0 HA HIS A 84 5.378 9.057 -10.971 1.00 0.00 H new ATOM 0 HB2 HIS A 84 5.154 6.322 -11.740 1.00 0.00 H new ATOM 0 HB3 HIS A 84 5.733 7.673 -12.694 1.00 0.00 H new ATOM 0 HD2 HIS A 84 8.296 7.323 -13.521 1.00 0.00 H new ATOM 0 HE1 HIS A 84 9.555 4.603 -10.518 1.00 0.00 H new ATOM 0 HE2 HIS A 84 10.240 5.823 -12.642 1.00 0.00 H new ATOM 1396 N PHE A 85 4.753 6.688 -8.792 1.00 0.00 N ATOM 1397 CA PHE A 85 3.719 6.119 -7.936 1.00 0.00 C ATOM 1398 C PHE A 85 3.169 7.168 -6.977 1.00 0.00 C ATOM 1399 O PHE A 85 2.042 7.052 -6.495 1.00 0.00 O ATOM 1400 CB PHE A 85 4.269 4.928 -7.150 1.00 0.00 C ATOM 1401 CG PHE A 85 3.199 4.031 -6.592 1.00 0.00 C ATOM 1402 CD1 PHE A 85 2.366 3.315 -7.438 1.00 0.00 C ATOM 1403 CD2 PHE A 85 3.025 3.905 -5.222 1.00 0.00 C ATOM 1404 CE1 PHE A 85 1.382 2.490 -6.927 1.00 0.00 C ATOM 1405 CE2 PHE A 85 2.042 3.082 -4.706 1.00 0.00 C ATOM 1406 CZ PHE A 85 1.219 2.373 -5.560 1.00 0.00 C ATOM 0 H PHE A 85 5.698 6.365 -8.585 1.00 0.00 H new ATOM 0 HA PHE A 85 2.906 5.775 -8.575 1.00 0.00 H new ATOM 0 HB2 PHE A 85 4.919 4.343 -7.800 1.00 0.00 H new ATOM 0 HB3 PHE A 85 4.886 5.297 -6.331 1.00 0.00 H new ATOM 0 HD1 PHE A 85 2.487 3.403 -8.508 1.00 0.00 H new ATOM 0 HD2 PHE A 85 3.666 4.457 -4.550 1.00 0.00 H new ATOM 0 HE1 PHE A 85 0.740 1.937 -7.596 1.00 0.00 H new ATOM 0 HE2 PHE A 85 1.917 2.993 -3.637 1.00 0.00 H new ATOM 0 HZ PHE A 85 0.450 1.729 -5.160 1.00 0.00 H new ATOM 1416 N TRP A 86 3.971 8.193 -6.701 1.00 0.00 N ATOM 1417 CA TRP A 86 3.562 9.258 -5.802 1.00 0.00 C ATOM 1418 C TRP A 86 2.514 10.144 -6.466 1.00 0.00 C ATOM 1419 O TRP A 86 1.401 10.295 -5.958 1.00 0.00 O ATOM 1420 CB TRP A 86 4.774 10.089 -5.392 1.00 0.00 C ATOM 1421 CG TRP A 86 4.522 10.949 -4.197 1.00 0.00 C ATOM 1422 CD1 TRP A 86 4.598 12.306 -4.144 1.00 0.00 C ATOM 1423 CD2 TRP A 86 4.153 10.512 -2.886 1.00 0.00 C ATOM 1424 NE1 TRP A 86 4.299 12.747 -2.876 1.00 0.00 N ATOM 1425 CE2 TRP A 86 4.021 11.661 -2.085 1.00 0.00 C ATOM 1426 CE3 TRP A 86 3.919 9.259 -2.312 1.00 0.00 C ATOM 1427 CZ2 TRP A 86 3.668 11.594 -0.740 1.00 0.00 C ATOM 1428 CZ3 TRP A 86 3.567 9.194 -0.978 1.00 0.00 C ATOM 1429 CH2 TRP A 86 3.445 10.356 -0.206 1.00 0.00 C ATOM 0 H TRP A 86 4.908 8.305 -7.089 1.00 0.00 H new ATOM 0 HA TRP A 86 3.121 8.812 -4.910 1.00 0.00 H new ATOM 0 HB2 TRP A 86 5.609 9.421 -5.181 1.00 0.00 H new ATOM 0 HB3 TRP A 86 5.073 10.720 -6.229 1.00 0.00 H new ATOM 0 HD1 TRP A 86 4.856 12.944 -4.976 1.00 0.00 H new ATOM 0 HE1 TRP A 86 4.286 13.721 -2.574 1.00 0.00 H new ATOM 0 HE3 TRP A 86 4.012 8.358 -2.901 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 3.574 12.488 -0.141 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 3.383 8.232 -0.523 1.00 0.00 H new ATOM 0 HH2 TRP A 86 3.169 10.272 0.835 1.00 0.00 H new ATOM 1440 N GLU A 87 2.878 10.728 -7.604 1.00 0.00 N ATOM 1441 CA GLU A 87 1.964 11.586 -8.348 1.00 0.00 C ATOM 1442 C GLU A 87 0.735 10.794 -8.775 1.00 0.00 C ATOM 1443 O GLU A 87 -0.301 11.366 -9.113 1.00 0.00 O ATOM 1444 CB GLU A 87 2.663 12.178 -9.573 1.00 0.00 C ATOM 1445 CG GLU A 87 3.634 13.299 -9.237 1.00 0.00 C ATOM 1446 CD GLU A 87 4.636 13.553 -10.346 1.00 0.00 C ATOM 1447 OE1 GLU A 87 5.667 12.849 -10.387 1.00 0.00 O ATOM 1448 OE2 GLU A 87 4.390 14.455 -11.174 1.00 0.00 O ATOM 0 H GLU A 87 3.799 10.622 -8.030 1.00 0.00 H new ATOM 0 HA GLU A 87 1.650 12.405 -7.700 1.00 0.00 H new ATOM 0 HB2 GLU A 87 3.202 11.385 -10.092 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.909 12.556 -10.264 1.00 0.00 H new ATOM 0 HG2 GLU A 87 3.074 14.214 -9.042 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.168 13.050 -8.320 1.00 0.00 H new ATOM 1455 N ILE A 88 0.865 9.471 -8.746 1.00 0.00 N ATOM 1456 CA ILE A 88 -0.232 8.584 -9.116 1.00 0.00 C ATOM 1457 C ILE A 88 -1.196 8.435 -7.942 1.00 0.00 C ATOM 1458 O ILE A 88 -2.382 8.758 -8.051 1.00 0.00 O ATOM 1459 CB ILE A 88 0.278 7.193 -9.557 1.00 0.00 C ATOM 1460 CG1 ILE A 88 0.660 7.217 -11.039 1.00 0.00 C ATOM 1461 CG2 ILE A 88 -0.774 6.121 -9.299 1.00 0.00 C ATOM 1462 CD1 ILE A 88 1.461 6.010 -11.479 1.00 0.00 C ATOM 0 H ILE A 88 1.721 8.989 -8.470 1.00 0.00 H new ATOM 0 HA ILE A 88 -0.750 9.032 -9.964 1.00 0.00 H new ATOM 0 HB ILE A 88 1.162 6.950 -8.968 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.248 7.278 -11.639 1.00 0.00 H new ATOM 0 HG13 ILE A 88 1.237 8.119 -11.242 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.391 5.151 -9.618 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.006 6.088 -8.234 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.678 6.356 -9.860 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.695 6.096 -12.540 1.00 0.00 H new ATOM 0 HD12 ILE A 88 2.387 5.959 -10.906 1.00 0.00 H new ATOM 0 HD13 ILE A 88 0.878 5.105 -11.308 1.00 0.00 H new ATOM 1474 N VAL A 89 -0.675 7.930 -6.825 1.00 0.00 N ATOM 1475 CA VAL A 89 -1.470 7.752 -5.614 1.00 0.00 C ATOM 1476 C VAL A 89 -2.270 9.014 -5.306 1.00 0.00 C ATOM 1477 O VAL A 89 -3.387 8.944 -4.785 1.00 0.00 O ATOM 1478 CB VAL A 89 -0.575 7.400 -4.406 1.00 0.00 C ATOM 1479 CG1 VAL A 89 -1.357 7.479 -3.103 1.00 0.00 C ATOM 1480 CG2 VAL A 89 0.033 6.017 -4.581 1.00 0.00 C ATOM 0 H VAL A 89 0.298 7.636 -6.735 1.00 0.00 H new ATOM 0 HA VAL A 89 -2.158 6.925 -5.791 1.00 0.00 H new ATOM 0 HB VAL A 89 0.231 8.132 -4.358 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.702 7.226 -2.269 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.740 8.491 -2.969 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.190 6.777 -3.135 1.00 0.00 H new ATOM 0 HG21 VAL A 89 0.661 5.784 -3.721 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -0.763 5.277 -4.660 1.00 0.00 H new ATOM 0 HG23 VAL A 89 0.638 5.997 -5.488 1.00 0.00 H new ATOM 1490 N VAL A 90 -1.700 10.167 -5.646 1.00 0.00 N ATOM 1491 CA VAL A 90 -2.369 11.440 -5.410 1.00 0.00 C ATOM 1492 C VAL A 90 -3.269 11.785 -6.594 1.00 0.00 C ATOM 1493 O VAL A 90 -4.374 12.297 -6.415 1.00 0.00 O ATOM 1494 CB VAL A 90 -1.366 12.585 -5.150 1.00 0.00 C ATOM 1495 CG1 VAL A 90 -0.548 12.896 -6.390 1.00 0.00 C ATOM 1496 CG2 VAL A 90 -2.093 13.827 -4.658 1.00 0.00 C ATOM 0 H VAL A 90 -0.782 10.245 -6.083 1.00 0.00 H new ATOM 0 HA VAL A 90 -2.976 11.330 -4.511 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.675 12.256 -4.373 1.00 0.00 H new ATOM 0 HG11 VAL A 90 0.148 13.706 -6.173 1.00 0.00 H new ATOM 0 HG12 VAL A 90 0.010 12.009 -6.690 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -1.214 13.196 -7.199 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -1.371 14.624 -4.480 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -2.812 14.150 -5.411 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.617 13.598 -3.730 1.00 0.00 H new ATOM 1506 N GLN A 91 -2.774 11.511 -7.803 1.00 0.00 N ATOM 1507 CA GLN A 91 -3.546 11.759 -9.021 1.00 0.00 C ATOM 1508 C GLN A 91 -4.967 11.242 -8.860 1.00 0.00 C ATOM 1509 O GLN A 91 -5.901 11.766 -9.466 1.00 0.00 O ATOM 1510 CB GLN A 91 -2.891 11.088 -10.230 1.00 0.00 C ATOM 1511 CG GLN A 91 -2.336 12.072 -11.246 1.00 0.00 C ATOM 1512 CD GLN A 91 -1.974 11.411 -12.562 1.00 0.00 C ATOM 1513 OE1 GLN A 91 -2.820 10.803 -13.219 1.00 0.00 O ATOM 1514 NE2 GLN A 91 -0.710 11.524 -12.952 1.00 0.00 N ATOM 0 H GLN A 91 -1.846 11.119 -7.964 1.00 0.00 H new ATOM 0 HA GLN A 91 -3.570 12.836 -9.189 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -2.084 10.443 -9.884 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -3.624 10.447 -10.720 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -3.072 12.855 -11.428 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -1.452 12.556 -10.832 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -0.043 12.037 -12.376 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -0.406 11.098 -13.828 1.00 0.00 H new ATOM 1523 N ASP A 92 -5.123 10.207 -8.039 1.00 0.00 N ATOM 1524 CA ASP A 92 -6.446 9.643 -7.789 1.00 0.00 C ATOM 1525 C ASP A 92 -7.055 10.298 -6.554 1.00 0.00 C ATOM 1526 O ASP A 92 -8.231 10.661 -6.540 1.00 0.00 O ATOM 1527 CB ASP A 92 -6.352 8.129 -7.592 1.00 0.00 C ATOM 1528 CG ASP A 92 -6.472 7.367 -8.898 1.00 0.00 C ATOM 1529 OD1 ASP A 92 -5.433 7.158 -9.560 1.00 0.00 O ATOM 1530 OD2 ASP A 92 -7.603 6.981 -9.258 1.00 0.00 O ATOM 0 H ASP A 92 -4.361 9.747 -7.541 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.084 9.838 -8.651 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -5.401 7.885 -7.119 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -7.139 7.804 -6.912 1.00 0.00 H new ATOM 1535 N GLY A 93 -6.232 10.440 -5.521 1.00 0.00 N ATOM 1536 CA GLY A 93 -6.676 11.083 -4.298 1.00 0.00 C ATOM 1537 C GLY A 93 -6.522 10.199 -3.078 1.00 0.00 C ATOM 1538 O GLY A 93 -7.056 10.508 -2.013 1.00 0.00 O ATOM 0 H GLY A 93 -5.263 10.121 -5.509 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -6.108 12.001 -4.149 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -7.722 11.369 -4.403 1.00 0.00 H new ATOM 1542 N ILE A 94 -5.793 9.098 -3.227 1.00 0.00 N ATOM 1543 CA ILE A 94 -5.577 8.179 -2.116 1.00 0.00 C ATOM 1544 C ILE A 94 -4.716 8.832 -1.041 1.00 0.00 C ATOM 1545 O ILE A 94 -3.880 9.685 -1.338 1.00 0.00 O ATOM 1546 CB ILE A 94 -4.900 6.871 -2.577 1.00 0.00 C ATOM 1547 CG1 ILE A 94 -5.497 6.392 -3.904 1.00 0.00 C ATOM 1548 CG2 ILE A 94 -5.043 5.798 -1.507 1.00 0.00 C ATOM 1549 CD1 ILE A 94 -4.758 5.218 -4.511 1.00 0.00 C ATOM 0 H ILE A 94 -5.344 8.822 -4.100 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.558 7.937 -1.708 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.839 7.067 -2.733 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -6.538 6.112 -3.745 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -5.494 7.219 -4.614 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.561 4.881 -1.845 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -4.570 6.138 -0.585 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -6.100 5.606 -1.323 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.236 4.933 -5.448 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.723 5.500 -4.703 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -4.783 4.376 -3.820 1.00 0.00 H new ATOM 1561 N THR A 95 -4.922 8.425 0.206 1.00 0.00 N ATOM 1562 CA THR A 95 -4.166 8.975 1.325 1.00 0.00 C ATOM 1563 C THR A 95 -3.519 7.861 2.131 1.00 0.00 C ATOM 1564 O THR A 95 -3.750 6.683 1.862 1.00 0.00 O ATOM 1565 CB THR A 95 -5.062 9.813 2.257 1.00 0.00 C ATOM 1566 OG1 THR A 95 -5.921 8.953 3.015 1.00 0.00 O ATOM 1567 CG2 THR A 95 -5.902 10.801 1.461 1.00 0.00 C ATOM 0 H THR A 95 -5.607 7.716 0.468 1.00 0.00 H new ATOM 0 HA THR A 95 -3.396 9.622 0.905 1.00 0.00 H new ATOM 0 HB THR A 95 -4.417 10.373 2.934 1.00 0.00 H new ATOM 0 HG1 THR A 95 -5.788 9.118 3.972 1.00 0.00 H new ATOM 0 HG21 THR A 95 -6.525 11.380 2.142 1.00 0.00 H new ATOM 0 HG22 THR A 95 -5.246 11.474 0.909 1.00 0.00 H new ATOM 0 HG23 THR A 95 -6.537 10.258 0.761 1.00 0.00 H new ATOM 1575 N LEU A 96 -2.692 8.237 3.104 1.00 0.00 N ATOM 1576 CA LEU A 96 -2.011 7.269 3.957 1.00 0.00 C ATOM 1577 C LEU A 96 -3.012 6.302 4.613 1.00 0.00 C ATOM 1578 O LEU A 96 -3.642 5.499 3.926 1.00 0.00 O ATOM 1579 CB LEU A 96 -1.176 8.015 5.007 1.00 0.00 C ATOM 1580 CG LEU A 96 0.094 7.294 5.457 1.00 0.00 C ATOM 1581 CD1 LEU A 96 1.124 8.287 5.967 1.00 0.00 C ATOM 1582 CD2 LEU A 96 -0.230 6.270 6.528 1.00 0.00 C ATOM 0 H LEU A 96 -2.477 9.210 3.321 1.00 0.00 H new ATOM 0 HA LEU A 96 -1.343 6.662 3.345 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.899 8.989 4.603 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.800 8.199 5.882 1.00 0.00 H new ATOM 0 HG LEU A 96 0.516 6.775 4.596 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.020 7.752 6.282 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.380 8.987 5.171 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.712 8.836 6.814 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.685 5.765 6.838 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.677 6.771 7.387 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.932 5.537 6.130 1.00 0.00 H new ATOM 1594 N ILE A 97 -3.151 6.362 5.935 1.00 0.00 N ATOM 1595 CA ILE A 97 -4.081 5.488 6.636 1.00 0.00 C ATOM 1596 C ILE A 97 -5.267 6.278 7.183 1.00 0.00 C ATOM 1597 O ILE A 97 -6.401 5.800 7.167 1.00 0.00 O ATOM 1598 CB ILE A 97 -3.366 4.718 7.774 1.00 0.00 C ATOM 1599 CG1 ILE A 97 -3.460 3.211 7.531 1.00 0.00 C ATOM 1600 CG2 ILE A 97 -3.941 5.077 9.137 1.00 0.00 C ATOM 1601 CD1 ILE A 97 -2.760 2.753 6.267 1.00 0.00 C ATOM 0 H ILE A 97 -2.634 7.003 6.537 1.00 0.00 H new ATOM 0 HA ILE A 97 -4.460 4.760 5.919 1.00 0.00 H new ATOM 0 HB ILE A 97 -2.316 5.012 7.772 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -3.030 2.687 8.384 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -4.511 2.925 7.478 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -3.416 4.518 9.912 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -3.818 6.146 9.314 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -5.001 4.824 9.163 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -2.869 1.674 6.161 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -3.205 3.249 5.404 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -1.702 3.007 6.325 1.00 0.00 H new ATOM 1613 N THR A 98 -4.994 7.493 7.657 1.00 0.00 N ATOM 1614 CA THR A 98 -6.032 8.367 8.198 1.00 0.00 C ATOM 1615 C THR A 98 -6.720 7.754 9.417 1.00 0.00 C ATOM 1616 O THR A 98 -7.224 6.632 9.364 1.00 0.00 O ATOM 1617 CB THR A 98 -7.098 8.701 7.136 1.00 0.00 C ATOM 1618 OG1 THR A 98 -6.645 8.297 5.838 1.00 0.00 O ATOM 1619 CG2 THR A 98 -7.401 10.190 7.126 1.00 0.00 C ATOM 0 H THR A 98 -4.057 7.895 7.677 1.00 0.00 H new ATOM 0 HA THR A 98 -5.527 9.283 8.504 1.00 0.00 H new ATOM 0 HB THR A 98 -8.009 8.158 7.388 1.00 0.00 H new ATOM 0 HG1 THR A 98 -7.330 8.512 5.171 1.00 0.00 H new ATOM 0 HG21 THR A 98 -8.156 10.403 6.369 1.00 0.00 H new ATOM 0 HG22 THR A 98 -7.774 10.492 8.105 1.00 0.00 H new ATOM 0 HG23 THR A 98 -6.491 10.745 6.897 1.00 0.00 H new ATOM 1627 N LYS A 99 -6.731 8.503 10.516 1.00 0.00 N ATOM 1628 CA LYS A 99 -7.360 8.059 11.757 1.00 0.00 C ATOM 1629 C LYS A 99 -8.761 7.503 11.510 1.00 0.00 C ATOM 1630 O LYS A 99 -9.059 6.367 11.877 1.00 0.00 O ATOM 1631 CB LYS A 99 -7.432 9.220 12.751 1.00 0.00 C ATOM 1632 CG LYS A 99 -7.709 10.565 12.098 1.00 0.00 C ATOM 1633 CD LYS A 99 -8.736 11.365 12.882 1.00 0.00 C ATOM 1634 CE LYS A 99 -8.072 12.286 13.892 1.00 0.00 C ATOM 1635 NZ LYS A 99 -8.935 12.517 15.084 1.00 0.00 N ATOM 0 H LYS A 99 -6.307 9.429 10.572 1.00 0.00 H new ATOM 0 HA LYS A 99 -6.748 7.258 12.172 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -8.213 9.013 13.482 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -6.491 9.278 13.298 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -6.782 11.133 12.026 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -8.067 10.409 11.080 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -9.342 11.954 12.194 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -9.412 10.684 13.399 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -7.123 11.853 14.209 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -7.844 13.241 13.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -8.338 12.718 15.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -9.563 13.326 14.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -9.507 11.668 15.268 1.00 0.00 H new ATOM 1649 N GLU A 100 -9.615 8.313 10.889 1.00 0.00 N ATOM 1650 CA GLU A 100 -10.986 7.904 10.598 1.00 0.00 C ATOM 1651 C GLU A 100 -11.018 6.577 9.846 1.00 0.00 C ATOM 1652 O GLU A 100 -11.957 5.792 9.993 1.00 0.00 O ATOM 1653 CB GLU A 100 -11.699 8.984 9.785 1.00 0.00 C ATOM 1654 CG GLU A 100 -13.142 8.645 9.452 1.00 0.00 C ATOM 1655 CD GLU A 100 -13.994 9.879 9.223 1.00 0.00 C ATOM 1656 OE1 GLU A 100 -14.086 10.715 10.146 1.00 0.00 O ATOM 1657 OE2 GLU A 100 -14.568 10.008 8.122 1.00 0.00 O ATOM 0 H GLU A 100 -9.382 9.256 10.578 1.00 0.00 H new ATOM 0 HA GLU A 100 -11.505 7.770 11.547 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -11.674 9.921 10.342 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -11.151 9.150 8.858 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -13.168 8.020 8.560 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -13.570 8.058 10.265 1.00 0.00 H new ATOM 1664 N GLU A 101 -9.989 6.330 9.045 1.00 0.00 N ATOM 1665 CA GLU A 101 -9.901 5.095 8.272 1.00 0.00 C ATOM 1666 C GLU A 101 -8.822 4.178 8.841 1.00 0.00 C ATOM 1667 O GLU A 101 -8.078 3.537 8.098 1.00 0.00 O ATOM 1668 CB GLU A 101 -9.605 5.408 6.803 1.00 0.00 C ATOM 1669 CG GLU A 101 -9.977 4.280 5.855 1.00 0.00 C ATOM 1670 CD GLU A 101 -11.164 4.624 4.977 1.00 0.00 C ATOM 1671 OE1 GLU A 101 -12.167 5.145 5.511 1.00 0.00 O ATOM 1672 OE2 GLU A 101 -11.093 4.374 3.756 1.00 0.00 O ATOM 0 H GLU A 101 -9.204 6.967 8.913 1.00 0.00 H new ATOM 0 HA GLU A 101 -10.860 4.582 8.337 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -10.149 6.308 6.515 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -8.543 5.628 6.694 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -9.120 4.043 5.225 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -10.205 3.385 6.433 1.00 0.00 H new ATOM 1679 N ALA A 102 -8.743 4.121 10.168 1.00 0.00 N ATOM 1680 CA ALA A 102 -7.756 3.284 10.840 1.00 0.00 C ATOM 1681 C ALA A 102 -8.432 2.205 11.684 1.00 0.00 C ATOM 1682 O ALA A 102 -8.908 1.202 11.153 1.00 0.00 O ATOM 1683 CB ALA A 102 -6.836 4.142 11.698 1.00 0.00 C ATOM 0 H ALA A 102 -9.351 4.645 10.798 1.00 0.00 H new ATOM 0 HA ALA A 102 -7.158 2.783 10.079 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -6.103 3.506 12.195 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -6.320 4.865 11.067 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -7.425 4.670 12.448 1.00 0.00 H new ATOM 1689 N SER A 103 -8.476 2.414 12.998 1.00 0.00 N ATOM 1690 CA SER A 103 -9.091 1.449 13.904 1.00 0.00 C ATOM 1691 C SER A 103 -9.990 2.148 14.918 1.00 0.00 C ATOM 1692 O SER A 103 -10.733 1.499 15.655 1.00 0.00 O ATOM 1693 CB SER A 103 -8.013 0.645 14.634 1.00 0.00 C ATOM 1694 OG SER A 103 -7.158 1.495 15.378 1.00 0.00 O ATOM 0 H SER A 103 -8.094 3.241 13.457 1.00 0.00 H new ATOM 0 HA SER A 103 -9.703 0.771 13.309 1.00 0.00 H new ATOM 0 HB2 SER A 103 -8.483 -0.077 15.301 1.00 0.00 H new ATOM 0 HB3 SER A 103 -7.427 0.077 13.911 1.00 0.00 H new ATOM 0 HG SER A 103 -6.323 1.634 14.883 1.00 0.00 H new ATOM 1700 N GLY A 104 -9.918 3.474 14.950 1.00 0.00 N ATOM 1701 CA GLY A 104 -10.730 4.239 15.878 1.00 0.00 C ATOM 1702 C GLY A 104 -10.187 5.634 16.107 1.00 0.00 C ATOM 1703 O GLY A 104 -9.828 5.989 17.231 1.00 0.00 O ATOM 0 H GLY A 104 -9.312 4.033 14.350 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -11.748 4.307 15.495 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -10.782 3.712 16.831 1.00 0.00 H new ATOM 1707 N SER A 105 -10.130 6.427 15.041 1.00 0.00 N ATOM 1708 CA SER A 105 -9.627 7.793 15.125 1.00 0.00 C ATOM 1709 C SER A 105 -8.251 7.836 15.786 1.00 0.00 C ATOM 1710 O SER A 105 -8.002 8.659 16.668 1.00 0.00 O ATOM 1711 CB SER A 105 -10.610 8.672 15.904 1.00 0.00 C ATOM 1712 OG SER A 105 -10.606 10.000 15.412 1.00 0.00 O ATOM 0 H SER A 105 -10.427 6.145 14.107 1.00 0.00 H new ATOM 0 HA SER A 105 -9.529 8.178 14.110 1.00 0.00 H new ATOM 0 HB2 SER A 105 -11.614 8.256 15.828 1.00 0.00 H new ATOM 0 HB3 SER A 105 -10.344 8.672 16.961 1.00 0.00 H new ATOM 0 HG SER A 105 -11.243 10.541 15.925 1.00 0.00 H new ATOM 1718 N SER A 106 -7.358 6.946 15.356 1.00 0.00 N ATOM 1719 CA SER A 106 -6.010 6.889 15.916 1.00 0.00 C ATOM 1720 C SER A 106 -4.948 7.111 14.840 1.00 0.00 C ATOM 1721 O SER A 106 -4.464 6.158 14.235 1.00 0.00 O ATOM 1722 CB SER A 106 -5.782 5.541 16.604 1.00 0.00 C ATOM 1723 OG SER A 106 -6.737 5.322 17.627 1.00 0.00 O ATOM 0 H SER A 106 -7.543 6.258 14.626 1.00 0.00 H new ATOM 0 HA SER A 106 -5.919 7.690 16.650 1.00 0.00 H new ATOM 0 HB2 SER A 106 -5.842 4.739 15.868 1.00 0.00 H new ATOM 0 HB3 SER A 106 -4.778 5.510 17.027 1.00 0.00 H new ATOM 0 HG SER A 106 -6.570 4.454 18.050 1.00 0.00 H new ATOM 1729 N VAL A 107 -4.576 8.379 14.650 1.00 0.00 N ATOM 1730 CA VAL A 107 -3.567 8.783 13.660 1.00 0.00 C ATOM 1731 C VAL A 107 -3.283 10.278 13.793 1.00 0.00 C ATOM 1732 O VAL A 107 -4.172 11.057 14.135 1.00 0.00 O ATOM 1733 CB VAL A 107 -3.992 8.474 12.198 1.00 0.00 C ATOM 1734 CG1 VAL A 107 -3.245 9.358 11.207 1.00 0.00 C ATOM 1735 CG2 VAL A 107 -3.745 7.017 11.857 1.00 0.00 C ATOM 0 H VAL A 107 -4.966 9.159 15.179 1.00 0.00 H new ATOM 0 HA VAL A 107 -2.671 8.198 13.869 1.00 0.00 H new ATOM 0 HB VAL A 107 -5.059 8.683 12.122 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.564 9.118 10.193 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -3.463 10.405 11.418 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.173 9.184 11.301 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.051 6.827 10.828 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -2.684 6.792 11.967 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.322 6.383 12.530 1.00 0.00 H new ATOM 1745 N THR A 108 -2.044 10.670 13.523 1.00 0.00 N ATOM 1746 CA THR A 108 -1.651 12.070 13.623 1.00 0.00 C ATOM 1747 C THR A 108 -2.039 12.855 12.372 1.00 0.00 C ATOM 1748 O THR A 108 -2.110 12.301 11.273 1.00 0.00 O ATOM 1749 CB THR A 108 -0.133 12.202 13.860 1.00 0.00 C ATOM 1750 OG1 THR A 108 0.177 13.518 14.335 1.00 0.00 O ATOM 1751 CG2 THR A 108 0.649 11.922 12.584 1.00 0.00 C ATOM 0 H THR A 108 -1.296 10.040 13.234 1.00 0.00 H new ATOM 0 HA THR A 108 -2.186 12.489 14.475 1.00 0.00 H new ATOM 0 HB THR A 108 0.156 11.465 14.610 1.00 0.00 H new ATOM 0 HG1 THR A 108 1.143 13.593 14.485 1.00 0.00 H new ATOM 0 HG21 THR A 108 1.716 12.023 12.782 1.00 0.00 H new ATOM 0 HG22 THR A 108 0.437 10.909 12.242 1.00 0.00 H new ATOM 0 HG23 THR A 108 0.354 12.634 11.813 1.00 0.00 H new ATOM 1759 N ALA A 109 -2.292 14.148 12.551 1.00 0.00 N ATOM 1760 CA ALA A 109 -2.666 15.027 11.446 1.00 0.00 C ATOM 1761 C ALA A 109 -1.507 15.189 10.468 1.00 0.00 C ATOM 1762 O ALA A 109 -1.680 15.679 9.352 1.00 0.00 O ATOM 1763 CB ALA A 109 -3.108 16.384 11.975 1.00 0.00 C ATOM 0 H ALA A 109 -2.244 14.614 13.457 1.00 0.00 H new ATOM 0 HA ALA A 109 -3.501 14.571 10.914 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -3.384 17.028 11.140 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -3.967 16.256 12.633 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -2.290 16.842 12.531 1.00 0.00 H new ATOM 1769 N GLU A 110 -0.325 14.773 10.905 1.00 0.00 N ATOM 1770 CA GLU A 110 0.879 14.867 10.090 1.00 0.00 C ATOM 1771 C GLU A 110 0.992 13.661 9.165 1.00 0.00 C ATOM 1772 O GLU A 110 1.738 13.676 8.188 1.00 0.00 O ATOM 1773 CB GLU A 110 2.121 14.967 10.979 1.00 0.00 C ATOM 1774 CG GLU A 110 2.419 16.382 11.447 1.00 0.00 C ATOM 1775 CD GLU A 110 3.575 16.440 12.427 1.00 0.00 C ATOM 1776 OE1 GLU A 110 3.341 16.229 13.636 1.00 0.00 O ATOM 1777 OE2 GLU A 110 4.714 16.697 11.985 1.00 0.00 O ATOM 0 H GLU A 110 -0.174 14.364 11.827 1.00 0.00 H new ATOM 0 HA GLU A 110 0.811 15.769 9.482 1.00 0.00 H new ATOM 0 HB2 GLU A 110 1.987 14.325 11.850 1.00 0.00 H new ATOM 0 HB3 GLU A 110 2.982 14.585 10.431 1.00 0.00 H new ATOM 0 HG2 GLU A 110 2.648 17.006 10.583 1.00 0.00 H new ATOM 0 HG3 GLU A 110 1.529 16.801 11.916 1.00 0.00 H new ATOM 1784 N GLU A 111 0.248 12.613 9.492 1.00 0.00 N ATOM 1785 CA GLU A 111 0.268 11.385 8.711 1.00 0.00 C ATOM 1786 C GLU A 111 -0.707 11.458 7.538 1.00 0.00 C ATOM 1787 O GLU A 111 -0.375 11.067 6.421 1.00 0.00 O ATOM 1788 CB GLU A 111 -0.076 10.191 9.609 1.00 0.00 C ATOM 1789 CG GLU A 111 -0.707 9.022 8.873 1.00 0.00 C ATOM 1790 CD GLU A 111 -0.462 7.695 9.565 1.00 0.00 C ATOM 1791 OE1 GLU A 111 0.611 7.538 10.185 1.00 0.00 O ATOM 1792 OE2 GLU A 111 -1.343 6.814 9.488 1.00 0.00 O ATOM 0 H GLU A 111 -0.379 12.590 10.296 1.00 0.00 H new ATOM 0 HA GLU A 111 1.272 11.256 8.306 1.00 0.00 H new ATOM 0 HB2 GLU A 111 0.833 9.848 10.102 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -0.757 10.524 10.392 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -1.781 9.189 8.786 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -0.308 8.978 7.860 1.00 0.00 H new ATOM 1799 N ALA A 112 -1.910 11.957 7.798 1.00 0.00 N ATOM 1800 CA ALA A 112 -2.935 12.050 6.766 1.00 0.00 C ATOM 1801 C ALA A 112 -2.870 13.349 5.957 1.00 0.00 C ATOM 1802 O ALA A 112 -3.025 13.330 4.737 1.00 0.00 O ATOM 1803 CB ALA A 112 -4.313 11.894 7.388 1.00 0.00 C ATOM 0 H ALA A 112 -2.199 12.303 8.713 1.00 0.00 H new ATOM 0 HA ALA A 112 -2.743 11.238 6.064 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -5.073 11.965 6.610 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -4.384 10.922 7.877 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -4.472 12.683 8.123 1.00 0.00 H new ATOM 1809 N LYS A 113 -2.642 14.471 6.633 1.00 0.00 N ATOM 1810 CA LYS A 113 -2.614 15.769 5.960 1.00 0.00 C ATOM 1811 C LYS A 113 -1.239 16.132 5.395 1.00 0.00 C ATOM 1812 O LYS A 113 -1.137 16.594 4.259 1.00 0.00 O ATOM 1813 CB LYS A 113 -3.077 16.867 6.919 1.00 0.00 C ATOM 1814 CG LYS A 113 -4.399 16.558 7.602 1.00 0.00 C ATOM 1815 CD LYS A 113 -5.045 17.817 8.159 1.00 0.00 C ATOM 1816 CE LYS A 113 -6.560 17.695 8.197 1.00 0.00 C ATOM 1817 NZ LYS A 113 -7.192 18.843 8.904 1.00 0.00 N ATOM 0 H LYS A 113 -2.475 14.510 7.638 1.00 0.00 H new ATOM 0 HA LYS A 113 -3.295 15.689 5.112 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -2.311 17.021 7.680 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -3.172 17.803 6.368 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -5.076 16.085 6.891 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -4.235 15.844 8.409 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -4.669 18.006 9.164 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -4.763 18.674 7.547 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -6.945 17.639 7.179 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -6.837 16.765 8.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -8.225 18.722 8.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -6.844 18.882 9.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -6.949 19.728 8.415 1.00 0.00 H new ATOM 1831 N LYS A 114 -0.187 15.925 6.179 1.00 0.00 N ATOM 1832 CA LYS A 114 1.161 16.281 5.743 1.00 0.00 C ATOM 1833 C LYS A 114 1.638 15.419 4.576 1.00 0.00 C ATOM 1834 O LYS A 114 2.288 15.917 3.656 1.00 0.00 O ATOM 1835 CB LYS A 114 2.142 16.167 6.909 1.00 0.00 C ATOM 1836 CG LYS A 114 3.125 17.322 6.990 1.00 0.00 C ATOM 1837 CD LYS A 114 4.356 17.068 6.135 1.00 0.00 C ATOM 1838 CE LYS A 114 5.394 18.164 6.314 1.00 0.00 C ATOM 1839 NZ LYS A 114 5.803 18.315 7.738 1.00 0.00 N ATOM 0 H LYS A 114 -0.239 15.516 7.112 1.00 0.00 H new ATOM 0 HA LYS A 114 1.124 17.313 5.395 1.00 0.00 H new ATOM 0 HB2 LYS A 114 1.580 16.112 7.842 1.00 0.00 H new ATOM 0 HB3 LYS A 114 2.697 15.234 6.816 1.00 0.00 H new ATOM 0 HG2 LYS A 114 2.637 18.240 6.663 1.00 0.00 H new ATOM 0 HG3 LYS A 114 3.426 17.473 8.027 1.00 0.00 H new ATOM 0 HD2 LYS A 114 4.792 16.105 6.401 1.00 0.00 H new ATOM 0 HD3 LYS A 114 4.066 17.008 5.086 1.00 0.00 H new ATOM 0 HE2 LYS A 114 6.270 17.937 5.707 1.00 0.00 H new ATOM 0 HE3 LYS A 114 4.991 19.109 5.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 6.711 18.819 7.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 5.079 18.856 8.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 5.905 17.375 8.171 1.00 0.00 H new ATOM 1853 N PHE A 115 1.321 14.131 4.616 1.00 0.00 N ATOM 1854 CA PHE A 115 1.733 13.207 3.564 1.00 0.00 C ATOM 1855 C PHE A 115 1.267 13.664 2.183 1.00 0.00 C ATOM 1856 O PHE A 115 2.006 13.556 1.205 1.00 0.00 O ATOM 1857 CB PHE A 115 1.200 11.806 3.862 1.00 0.00 C ATOM 1858 CG PHE A 115 2.283 10.778 4.015 1.00 0.00 C ATOM 1859 CD1 PHE A 115 3.185 10.853 5.065 1.00 0.00 C ATOM 1860 CD2 PHE A 115 2.397 9.739 3.109 1.00 0.00 C ATOM 1861 CE1 PHE A 115 4.182 9.908 5.206 1.00 0.00 C ATOM 1862 CE2 PHE A 115 3.392 8.791 3.245 1.00 0.00 C ATOM 1863 CZ PHE A 115 4.285 8.876 4.295 1.00 0.00 C ATOM 0 H PHE A 115 0.779 13.701 5.366 1.00 0.00 H new ATOM 0 HA PHE A 115 2.823 13.189 3.550 1.00 0.00 H new ATOM 0 HB2 PHE A 115 0.607 11.837 4.776 1.00 0.00 H new ATOM 0 HB3 PHE A 115 0.530 11.501 3.058 1.00 0.00 H new ATOM 0 HD1 PHE A 115 3.107 11.659 5.780 1.00 0.00 H new ATOM 0 HD2 PHE A 115 1.701 9.668 2.287 1.00 0.00 H new ATOM 0 HE1 PHE A 115 4.880 9.976 6.027 1.00 0.00 H new ATOM 0 HE2 PHE A 115 3.472 7.984 2.531 1.00 0.00 H new ATOM 0 HZ PHE A 115 5.064 8.135 4.403 1.00 0.00 H new ATOM 1873 N LEU A 116 0.041 14.172 2.105 1.00 0.00 N ATOM 1874 CA LEU A 116 -0.514 14.633 0.834 1.00 0.00 C ATOM 1875 C LEU A 116 -0.382 16.145 0.684 1.00 0.00 C ATOM 1876 O LEU A 116 -1.089 16.761 -0.115 1.00 0.00 O ATOM 1877 CB LEU A 116 -1.984 14.228 0.726 1.00 0.00 C ATOM 1878 CG LEU A 116 -2.227 12.734 0.515 1.00 0.00 C ATOM 1879 CD1 LEU A 116 -2.433 12.034 1.849 1.00 0.00 C ATOM 1880 CD2 LEU A 116 -3.425 12.517 -0.396 1.00 0.00 C ATOM 0 H LEU A 116 -0.586 14.275 2.903 1.00 0.00 H new ATOM 0 HA LEU A 116 0.054 14.162 0.031 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -2.499 14.540 1.634 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -2.436 14.775 -0.101 1.00 0.00 H new ATOM 0 HG LEU A 116 -1.348 12.303 0.036 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -2.605 10.971 1.679 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -1.546 12.164 2.469 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -3.296 12.465 2.356 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -3.586 11.448 -0.537 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -4.312 12.961 0.057 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -3.237 12.986 -1.362 1.00 0.00 H new ATOM 1892 N ALA A 117 0.524 16.741 1.452 1.00 0.00 N ATOM 1893 CA ALA A 117 0.743 18.181 1.395 1.00 0.00 C ATOM 1894 C ALA A 117 2.195 18.499 1.039 1.00 0.00 C ATOM 1895 O ALA A 117 3.109 17.774 1.435 1.00 0.00 O ATOM 1896 CB ALA A 117 0.369 18.825 2.721 1.00 0.00 C ATOM 0 H ALA A 117 1.118 16.250 2.120 1.00 0.00 H new ATOM 0 HA ALA A 117 0.104 18.592 0.613 1.00 0.00 H new ATOM 0 HB1 ALA A 117 0.538 19.900 2.664 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -0.683 18.634 2.935 1.00 0.00 H new ATOM 0 HB3 ALA A 117 0.983 18.403 3.516 1.00 0.00 H new