USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 640 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 61 TYR OH : rot -132:sc= 0.321 USER MOD Set 1.2: A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 20 HIS : no HD1:sc= -0.224 K(o=-1,f=-2.1) USER MOD Set 2.2: A 64 ASN : amide:sc= -0.817 X(o=-1,f=-1.3) USER MOD Single : A 2 THR OG1 : rot -37:sc= 0.00834 USER MOD Single : A 6 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.043) USER MOD Single : A 14 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0669) USER MOD Single : A 15 MET CE :methyl -135:sc= -0.251 (180deg=-1.82!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.262 X(o=-0.26,f=-0.048) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot -160:sc= -1.03 USER MOD Single : A 48 HIS : no HD1:sc= -0.0577 X(o=-0.058,f=-0.39) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 129:sc= -0.195 (180deg=-0.642) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.106) USER MOD Single : A 72 ASN : amide:sc=-0.00175 X(o=-0.0017,f=-0.33) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.285 X(o=-0.29,f=-0.025) USER MOD Single : A 86 ASN : amide:sc= -4.89 K(o=-4.9,f=-4) USER MOD Single : A 87 ASN : amide:sc= -0.015 K(o=-0.015,f=-1.6!) USER MOD Single : A 89 LYS NZ :NH3+ 163:sc= -0.0605 (180deg=-0.343) USER MOD ----------------------------------------------------------------- ATOM 18 N THR A 2 4.151 -0.665 -1.555 1.00 52.02 N ATOM 19 CA THR A 2 5.376 -1.442 -1.694 1.00 31.12 C ATOM 20 C THR A 2 6.599 -0.609 -1.329 1.00 24.44 C ATOM 21 O THR A 2 7.630 -1.148 -0.925 1.00 4.30 O ATOM 22 CB THR A 2 5.543 -1.977 -3.129 1.00 14.13 C ATOM 23 OG1 THR A 2 5.744 -0.888 -4.037 1.00 22.31 O ATOM 24 CG2 THR A 2 4.321 -2.778 -3.553 1.00 22.32 C ATOM 0 HA THR A 2 5.295 -2.285 -1.008 1.00 31.12 H new ATOM 0 HB THR A 2 6.413 -2.633 -3.150 1.00 14.13 H new ATOM 0 HG1 THR A 2 5.190 -0.128 -3.764 1.00 22.31 H new ATOM 0 HG21 THR A 2 4.462 -3.146 -4.569 1.00 22.32 H new ATOM 0 HG22 THR A 2 4.187 -3.622 -2.877 1.00 22.32 H new ATOM 0 HG23 THR A 2 3.438 -2.141 -3.517 1.00 22.32 H new ATOM 32 N ARG A 3 6.478 0.706 -1.472 1.00 44.33 N ATOM 33 CA ARG A 3 7.576 1.613 -1.158 1.00 15.43 C ATOM 34 C ARG A 3 8.066 1.399 0.271 1.00 34.23 C ATOM 35 O ARG A 3 7.307 0.968 1.140 1.00 23.41 O ATOM 36 CB ARG A 3 7.134 3.066 -1.344 1.00 12.10 C ATOM 37 CG ARG A 3 6.544 3.352 -2.715 1.00 50.23 C ATOM 38 CD ARG A 3 7.558 3.104 -3.821 1.00 21.32 C ATOM 39 NE ARG A 3 7.009 3.394 -5.143 1.00 2.34 N ATOM 40 CZ ARG A 3 7.623 3.081 -6.278 1.00 73.13 C ATOM 41 NH1 ARG A 3 8.799 2.470 -6.253 1.00 61.24 N ATOM 42 NH2 ARG A 3 7.059 3.378 -7.442 1.00 42.32 N ATOM 0 H ARG A 3 5.631 1.168 -1.803 1.00 44.33 H new ATOM 0 HA ARG A 3 8.398 1.399 -1.842 1.00 15.43 H new ATOM 0 HB2 ARG A 3 6.395 3.313 -0.581 1.00 12.10 H new ATOM 0 HB3 ARG A 3 7.990 3.721 -1.182 1.00 12.10 H new ATOM 0 HG2 ARG A 3 5.669 2.722 -2.874 1.00 50.23 H new ATOM 0 HG3 ARG A 3 6.204 4.387 -2.757 1.00 50.23 H new ATOM 0 HD2 ARG A 3 8.439 3.723 -3.651 1.00 21.32 H new ATOM 0 HD3 ARG A 3 7.887 2.065 -3.785 1.00 21.32 H new ATOM 0 HE ARG A 3 6.105 3.863 -5.197 1.00 2.34 H new ATOM 0 HH11 ARG A 3 9.235 2.239 -5.360 1.00 61.24 H new ATOM 0 HH12 ARG A 3 9.268 2.231 -7.127 1.00 61.24 H new ATOM 0 HH21 ARG A 3 6.153 3.847 -7.465 1.00 42.32 H new ATOM 0 HH22 ARG A 3 7.531 3.137 -8.314 1.00 42.32 H new ATOM 56 N ASP A 4 9.337 1.702 0.507 1.00 64.22 N ATOM 57 CA ASP A 4 9.929 1.543 1.830 1.00 30.22 C ATOM 58 C ASP A 4 9.551 2.709 2.738 1.00 10.01 C ATOM 59 O ASP A 4 9.026 3.723 2.278 1.00 74.14 O ATOM 60 CB ASP A 4 11.451 1.437 1.722 1.00 31.45 C ATOM 61 CG ASP A 4 11.913 0.023 1.427 1.00 2.31 C ATOM 62 OD1 ASP A 4 11.943 -0.354 0.237 1.00 35.33 O ATOM 63 OD2 ASP A 4 12.245 -0.705 2.386 1.00 72.42 O ATOM 0 H ASP A 4 9.978 2.060 -0.201 1.00 64.22 H new ATOM 0 HA ASP A 4 9.539 0.624 2.267 1.00 30.22 H new ATOM 0 HB2 ASP A 4 11.804 2.103 0.935 1.00 31.45 H new ATOM 0 HB3 ASP A 4 11.903 1.777 2.654 1.00 31.45 H new ATOM 68 N PHE A 5 9.821 2.558 4.030 1.00 32.34 N ATOM 69 CA PHE A 5 9.507 3.597 5.004 1.00 42.43 C ATOM 70 C PHE A 5 10.778 4.125 5.664 1.00 15.21 C ATOM 71 O PHE A 5 11.883 3.677 5.358 1.00 33.14 O ATOM 72 CB PHE A 5 8.552 3.056 6.069 1.00 12.45 C ATOM 73 CG PHE A 5 7.102 3.235 5.721 1.00 72.02 C ATOM 74 CD1 PHE A 5 6.458 4.436 5.971 1.00 44.34 C ATOM 75 CD2 PHE A 5 6.382 2.201 5.144 1.00 40.12 C ATOM 76 CE1 PHE A 5 5.124 4.604 5.651 1.00 42.14 C ATOM 77 CE2 PHE A 5 5.048 2.363 4.821 1.00 11.13 C ATOM 78 CZ PHE A 5 4.418 3.566 5.076 1.00 31.42 C ATOM 0 H PHE A 5 10.257 1.726 4.427 1.00 32.34 H new ATOM 0 HA PHE A 5 9.023 4.420 4.478 1.00 42.43 H new ATOM 0 HB2 PHE A 5 8.753 1.995 6.220 1.00 12.45 H new ATOM 0 HB3 PHE A 5 8.755 3.557 7.016 1.00 12.45 H new ATOM 0 HD1 PHE A 5 7.005 5.251 6.421 1.00 44.34 H new ATOM 0 HD2 PHE A 5 6.869 1.258 4.944 1.00 40.12 H new ATOM 0 HE1 PHE A 5 4.635 5.546 5.850 1.00 42.14 H new ATOM 0 HE2 PHE A 5 4.499 1.550 4.370 1.00 11.13 H new ATOM 0 HZ PHE A 5 3.375 3.694 4.826 1.00 31.42 H new ATOM 88 N LYS A 6 10.612 5.082 6.572 1.00 72.54 N ATOM 89 CA LYS A 6 11.743 5.672 7.277 1.00 21.21 C ATOM 90 C LYS A 6 11.677 5.359 8.769 1.00 64.24 C ATOM 91 O LYS A 6 10.627 5.010 9.308 1.00 24.44 O ATOM 92 CB LYS A 6 11.769 7.187 7.064 1.00 63.01 C ATOM 93 CG LYS A 6 12.542 7.614 5.828 1.00 74.14 C ATOM 94 CD LYS A 6 12.359 9.095 5.540 1.00 73.44 C ATOM 95 CE LYS A 6 13.260 9.557 4.405 1.00 53.12 C ATOM 96 NZ LYS A 6 14.685 9.644 4.828 1.00 13.44 N ATOM 0 H LYS A 6 9.704 5.465 6.836 1.00 72.54 H new ATOM 0 HA LYS A 6 12.658 5.239 6.872 1.00 21.21 H new ATOM 0 HB2 LYS A 6 10.745 7.552 6.986 1.00 63.01 H new ATOM 0 HB3 LYS A 6 12.211 7.661 7.940 1.00 63.01 H new ATOM 0 HG2 LYS A 6 13.601 7.398 5.967 1.00 74.14 H new ATOM 0 HG3 LYS A 6 12.208 7.031 4.969 1.00 74.14 H new ATOM 0 HD2 LYS A 6 11.318 9.291 5.283 1.00 73.44 H new ATOM 0 HD3 LYS A 6 12.579 9.671 6.439 1.00 73.44 H new ATOM 0 HE2 LYS A 6 13.172 8.866 3.567 1.00 53.12 H new ATOM 0 HE3 LYS A 6 12.926 10.532 4.050 1.00 53.12 H new ATOM 0 HZ1 LYS A 6 15.242 10.104 4.080 1.00 13.44 H new ATOM 0 HZ2 LYS A 6 14.754 10.201 5.703 1.00 13.44 H new ATOM 0 HZ3 LYS A 6 15.056 8.687 4.997 1.00 13.44 H new ATOM 110 N PRO A 7 12.824 5.487 9.452 1.00 2.42 N ATOM 111 CA PRO A 7 12.922 5.225 10.891 1.00 32.11 C ATOM 112 C PRO A 7 12.194 6.276 11.723 1.00 61.53 C ATOM 113 O PRO A 7 12.471 7.469 11.613 1.00 4.14 O ATOM 114 CB PRO A 7 14.428 5.279 11.160 1.00 32.12 C ATOM 115 CG PRO A 7 14.974 6.148 10.081 1.00 45.20 C ATOM 116 CD PRO A 7 14.114 5.900 8.873 1.00 31.32 C ATOM 0 HA PRO A 7 12.460 4.276 11.165 1.00 32.11 H new ATOM 0 HB2 PRO A 7 14.639 5.692 12.146 1.00 32.12 H new ATOM 0 HB3 PRO A 7 14.872 4.284 11.129 1.00 32.12 H new ATOM 0 HG2 PRO A 7 14.943 7.198 10.373 1.00 45.20 H new ATOM 0 HG3 PRO A 7 16.016 5.905 9.874 1.00 45.20 H new ATOM 0 HD2 PRO A 7 14.012 6.797 8.262 1.00 31.32 H new ATOM 0 HD3 PRO A 7 14.534 5.124 8.233 1.00 31.32 H new ATOM 124 N GLY A 8 11.261 5.823 12.555 1.00 2.02 N ATOM 125 CA GLY A 8 10.508 6.738 13.394 1.00 64.54 C ATOM 126 C GLY A 8 9.228 7.209 12.733 1.00 31.23 C ATOM 127 O GLY A 8 8.697 8.265 13.076 1.00 11.25 O ATOM 0 H GLY A 8 11.013 4.840 12.663 1.00 2.02 H new ATOM 0 HA2 GLY A 8 10.267 6.247 14.337 1.00 64.54 H new ATOM 0 HA3 GLY A 8 11.129 7.601 13.633 1.00 64.54 H new ATOM 131 N ASP A 9 8.731 6.425 11.783 1.00 44.15 N ATOM 132 CA ASP A 9 7.505 6.768 11.072 1.00 42.33 C ATOM 133 C ASP A 9 6.292 6.130 11.741 1.00 22.11 C ATOM 134 O ASP A 9 6.367 5.009 12.247 1.00 51.22 O ATOM 135 CB ASP A 9 7.593 6.319 9.612 1.00 25.34 C ATOM 136 CG ASP A 9 8.136 7.405 8.704 1.00 75.51 C ATOM 137 OD1 ASP A 9 8.929 8.239 9.186 1.00 44.23 O ATOM 138 OD2 ASP A 9 7.765 7.420 7.511 1.00 2.21 O ATOM 0 H ASP A 9 9.158 5.547 11.487 1.00 44.15 H new ATOM 0 HA ASP A 9 7.387 7.851 11.104 1.00 42.33 H new ATOM 0 HB2 ASP A 9 8.232 5.439 9.544 1.00 25.34 H new ATOM 0 HB3 ASP A 9 6.603 6.022 9.266 1.00 25.34 H new ATOM 143 N LEU A 10 5.176 6.850 11.742 1.00 50.13 N ATOM 144 CA LEU A 10 3.946 6.355 12.350 1.00 21.21 C ATOM 145 C LEU A 10 3.152 5.509 11.361 1.00 75.55 C ATOM 146 O LEU A 10 2.542 6.034 10.429 1.00 53.41 O ATOM 147 CB LEU A 10 3.090 7.524 12.841 1.00 22.55 C ATOM 148 CG LEU A 10 3.765 8.484 13.821 1.00 0.31 C ATOM 149 CD1 LEU A 10 4.602 7.716 14.832 1.00 71.52 C ATOM 150 CD2 LEU A 10 4.624 9.493 13.073 1.00 55.45 C ATOM 0 H LEU A 10 5.097 7.779 11.328 1.00 50.13 H new ATOM 0 HA LEU A 10 4.217 5.729 13.200 1.00 21.21 H new ATOM 0 HB2 LEU A 10 2.759 8.095 11.974 1.00 22.55 H new ATOM 0 HB3 LEU A 10 2.197 7.120 13.317 1.00 22.55 H new ATOM 0 HG LEU A 10 2.988 9.026 14.360 1.00 0.31 H new ATOM 0 HD11 LEU A 10 5.074 8.417 15.521 1.00 71.52 H new ATOM 0 HD12 LEU A 10 3.962 7.034 15.391 1.00 71.52 H new ATOM 0 HD13 LEU A 10 5.371 7.146 14.310 1.00 71.52 H new ATOM 0 HD21 LEU A 10 5.097 10.168 13.786 1.00 55.45 H new ATOM 0 HD22 LEU A 10 5.393 8.967 12.507 1.00 55.45 H new ATOM 0 HD23 LEU A 10 3.999 10.067 12.389 1.00 55.45 H new ATOM 162 N ILE A 11 3.162 4.197 11.570 1.00 34.44 N ATOM 163 CA ILE A 11 2.439 3.278 10.699 1.00 42.42 C ATOM 164 C ILE A 11 1.844 2.121 11.493 1.00 74.33 C ATOM 165 O ILE A 11 2.459 1.617 12.433 1.00 72.03 O ATOM 166 CB ILE A 11 3.353 2.713 9.595 1.00 10.24 C ATOM 167 CG1 ILE A 11 4.548 1.986 10.215 1.00 0.24 C ATOM 168 CG2 ILE A 11 3.824 3.829 8.675 1.00 62.02 C ATOM 169 CD1 ILE A 11 4.292 0.519 10.479 1.00 21.12 C ATOM 0 H ILE A 11 3.663 3.746 12.335 1.00 34.44 H new ATOM 0 HA ILE A 11 1.634 3.849 10.236 1.00 42.42 H new ATOM 0 HB ILE A 11 2.783 1.997 9.003 1.00 10.24 H new ATOM 0 HG12 ILE A 11 5.407 2.083 9.550 1.00 0.24 H new ATOM 0 HG13 ILE A 11 4.814 2.475 11.152 1.00 0.24 H new ATOM 0 HG21 ILE A 11 4.469 3.414 7.900 1.00 62.02 H new ATOM 0 HG22 ILE A 11 2.961 4.307 8.211 1.00 62.02 H new ATOM 0 HG23 ILE A 11 4.380 4.567 9.253 1.00 62.02 H new ATOM 0 HD11 ILE A 11 5.182 0.068 10.919 1.00 21.12 H new ATOM 0 HD12 ILE A 11 3.454 0.414 11.168 1.00 21.12 H new ATOM 0 HD13 ILE A 11 4.056 0.016 9.541 1.00 21.12 H new ATOM 181 N PHE A 12 0.643 1.702 11.107 1.00 71.20 N ATOM 182 CA PHE A 12 -0.036 0.602 11.782 1.00 14.00 C ATOM 183 C PHE A 12 0.448 -0.744 11.251 1.00 20.13 C ATOM 184 O PHE A 12 0.222 -1.083 10.090 1.00 25.00 O ATOM 185 CB PHE A 12 -1.551 0.720 11.598 1.00 2.42 C ATOM 186 CG PHE A 12 -2.227 1.507 12.685 1.00 62.14 C ATOM 187 CD1 PHE A 12 -1.807 2.791 12.992 1.00 2.02 C ATOM 188 CD2 PHE A 12 -3.283 0.963 13.398 1.00 64.42 C ATOM 189 CE1 PHE A 12 -2.427 3.517 13.992 1.00 63.51 C ATOM 190 CE2 PHE A 12 -3.907 1.684 14.398 1.00 23.45 C ATOM 191 CZ PHE A 12 -3.479 2.963 14.695 1.00 23.31 C ATOM 0 H PHE A 12 0.120 2.107 10.331 1.00 71.20 H new ATOM 0 HA PHE A 12 0.200 0.660 12.845 1.00 14.00 H new ATOM 0 HB2 PHE A 12 -1.757 1.192 10.637 1.00 2.42 H new ATOM 0 HB3 PHE A 12 -1.984 -0.280 11.561 1.00 2.42 H new ATOM 0 HD1 PHE A 12 -0.986 3.230 12.444 1.00 2.02 H new ATOM 0 HD2 PHE A 12 -3.622 -0.036 13.169 1.00 64.42 H new ATOM 0 HE1 PHE A 12 -2.089 4.516 14.223 1.00 63.51 H new ATOM 0 HE2 PHE A 12 -4.729 1.248 14.947 1.00 23.45 H new ATOM 0 HZ PHE A 12 -3.966 3.529 15.475 1.00 23.31 H new ATOM 201 N ALA A 13 1.116 -1.507 12.111 1.00 14.30 N ATOM 202 CA ALA A 13 1.631 -2.816 11.730 1.00 11.04 C ATOM 203 C ALA A 13 0.530 -3.870 11.763 1.00 74.12 C ATOM 204 O ALA A 13 -0.201 -3.990 12.746 1.00 13.35 O ATOM 205 CB ALA A 13 2.777 -3.219 12.647 1.00 50.25 C ATOM 0 H ALA A 13 1.313 -1.241 13.076 1.00 14.30 H new ATOM 0 HA ALA A 13 2.003 -2.749 10.708 1.00 11.04 H new ATOM 0 HB1 ALA A 13 3.152 -4.199 12.351 1.00 50.25 H new ATOM 0 HB2 ALA A 13 3.579 -2.485 12.571 1.00 50.25 H new ATOM 0 HB3 ALA A 13 2.421 -3.262 13.676 1.00 50.25 H new ATOM 211 N LYS A 14 0.415 -4.633 10.681 1.00 50.11 N ATOM 212 CA LYS A 14 -0.597 -5.678 10.585 1.00 60.12 C ATOM 213 C LYS A 14 0.033 -7.060 10.726 1.00 20.13 C ATOM 214 O LYS A 14 0.684 -7.553 9.805 1.00 11.25 O ATOM 215 CB LYS A 14 -1.338 -5.578 9.249 1.00 22.14 C ATOM 216 CG LYS A 14 -2.225 -6.775 8.955 1.00 62.33 C ATOM 217 CD LYS A 14 -3.215 -7.026 10.080 1.00 51.14 C ATOM 218 CE LYS A 14 -4.423 -7.813 9.594 1.00 24.22 C ATOM 219 NZ LYS A 14 -4.030 -9.122 9.002 1.00 41.34 N ATOM 0 H LYS A 14 1.011 -4.547 9.858 1.00 50.11 H new ATOM 0 HA LYS A 14 -1.308 -5.537 11.399 1.00 60.12 H new ATOM 0 HB2 LYS A 14 -1.949 -4.675 9.248 1.00 22.14 H new ATOM 0 HB3 LYS A 14 -0.609 -5.470 8.446 1.00 22.14 H new ATOM 0 HG2 LYS A 14 -2.766 -6.608 8.024 1.00 62.33 H new ATOM 0 HG3 LYS A 14 -1.606 -7.660 8.810 1.00 62.33 H new ATOM 0 HD2 LYS A 14 -2.723 -7.573 10.884 1.00 51.14 H new ATOM 0 HD3 LYS A 14 -3.543 -6.074 10.496 1.00 51.14 H new ATOM 0 HE2 LYS A 14 -5.106 -7.981 10.427 1.00 24.22 H new ATOM 0 HE3 LYS A 14 -4.964 -7.226 8.852 1.00 24.22 H new ATOM 0 HZ1 LYS A 14 -4.884 -9.671 8.776 1.00 41.34 H new ATOM 0 HZ2 LYS A 14 -3.483 -8.960 8.133 1.00 41.34 H new ATOM 0 HZ3 LYS A 14 -3.449 -9.651 9.683 1.00 41.34 H new ATOM 233 N MET A 15 -0.166 -7.680 11.885 1.00 73.44 N ATOM 234 CA MET A 15 0.381 -9.007 12.145 1.00 74.14 C ATOM 235 C MET A 15 -0.582 -10.093 11.676 1.00 73.41 C ATOM 236 O MET A 15 -1.783 -10.031 11.942 1.00 3.34 O ATOM 237 CB MET A 15 0.674 -9.178 13.636 1.00 33.03 C ATOM 238 CG MET A 15 2.090 -8.788 14.026 1.00 64.31 C ATOM 239 SD MET A 15 3.188 -10.212 14.169 1.00 50.33 S ATOM 240 CE MET A 15 2.381 -11.131 15.477 1.00 63.30 C ATOM 0 H MET A 15 -0.701 -7.285 12.658 1.00 73.44 H new ATOM 0 HA MET A 15 1.312 -9.105 11.586 1.00 74.14 H new ATOM 0 HB2 MET A 15 -0.031 -8.574 14.208 1.00 33.03 H new ATOM 0 HB3 MET A 15 0.503 -10.218 13.915 1.00 33.03 H new ATOM 0 HG2 MET A 15 2.491 -8.098 13.283 1.00 64.31 H new ATOM 0 HG3 MET A 15 2.067 -8.255 14.976 1.00 64.31 H new ATOM 0 HE1 MET A 15 3.127 -11.475 16.194 1.00 63.30 H new ATOM 0 HE2 MET A 15 1.661 -10.488 15.983 1.00 63.30 H new ATOM 0 HE3 MET A 15 1.863 -11.991 15.052 1.00 63.30 H new ATOM 250 N LYS A 16 -0.049 -11.089 10.976 1.00 2.01 N ATOM 251 CA LYS A 16 -0.860 -12.190 10.471 1.00 61.23 C ATOM 252 C LYS A 16 -1.665 -12.833 11.595 1.00 34.31 C ATOM 253 O LYS A 16 -1.108 -13.489 12.475 1.00 53.25 O ATOM 254 CB LYS A 16 0.029 -13.240 9.801 1.00 25.20 C ATOM 255 CG LYS A 16 -0.740 -14.234 8.948 1.00 43.34 C ATOM 256 CD LYS A 16 -1.001 -13.687 7.554 1.00 24.10 C ATOM 257 CE LYS A 16 0.153 -13.993 6.610 1.00 15.45 C ATOM 258 NZ LYS A 16 -0.276 -13.968 5.185 1.00 51.25 N ATOM 0 H LYS A 16 0.942 -11.156 10.746 1.00 2.01 H new ATOM 0 HA LYS A 16 -1.555 -11.788 9.734 1.00 61.23 H new ATOM 0 HB2 LYS A 16 0.767 -12.735 9.178 1.00 25.20 H new ATOM 0 HB3 LYS A 16 0.578 -13.783 10.570 1.00 25.20 H new ATOM 0 HG2 LYS A 16 -0.177 -15.165 8.875 1.00 43.34 H new ATOM 0 HG3 LYS A 16 -1.688 -14.472 9.430 1.00 43.34 H new ATOM 0 HD2 LYS A 16 -1.920 -14.119 7.159 1.00 24.10 H new ATOM 0 HD3 LYS A 16 -1.153 -12.609 7.607 1.00 24.10 H new ATOM 0 HE2 LYS A 16 0.950 -13.265 6.762 1.00 15.45 H new ATOM 0 HE3 LYS A 16 0.567 -14.973 6.848 1.00 15.45 H new ATOM 0 HZ1 LYS A 16 0.538 -14.181 4.574 1.00 51.25 H new ATOM 0 HZ2 LYS A 16 -1.019 -14.680 5.033 1.00 51.25 H new ATOM 0 HZ3 LYS A 16 -0.647 -13.025 4.951 1.00 51.25 H new ATOM 272 N GLY A 17 -2.981 -12.642 11.559 1.00 22.11 N ATOM 273 CA GLY A 17 -3.841 -13.211 12.580 1.00 73.23 C ATOM 274 C GLY A 17 -4.210 -12.207 13.653 1.00 10.43 C ATOM 275 O GLY A 17 -4.748 -12.574 14.698 1.00 2.43 O ATOM 0 H GLY A 17 -3.466 -12.104 10.841 1.00 22.11 H new ATOM 0 HA2 GLY A 17 -4.750 -13.591 12.114 1.00 73.23 H new ATOM 0 HA3 GLY A 17 -3.339 -14.062 13.040 1.00 73.23 H new ATOM 279 N TYR A 18 -3.919 -10.936 13.397 1.00 32.11 N ATOM 280 CA TYR A 18 -4.220 -9.876 14.352 1.00 41.23 C ATOM 281 C TYR A 18 -4.571 -8.578 13.631 1.00 12.43 C ATOM 282 O TYR A 18 -4.136 -8.323 12.508 1.00 60.40 O ATOM 283 CB TYR A 18 -3.029 -9.648 15.285 1.00 75.22 C ATOM 284 CG TYR A 18 -2.413 -10.928 15.803 1.00 42.12 C ATOM 285 CD1 TYR A 18 -1.470 -11.621 15.053 1.00 1.41 C ATOM 286 CD2 TYR A 18 -2.773 -11.445 17.041 1.00 55.22 C ATOM 287 CE1 TYR A 18 -0.904 -12.791 15.522 1.00 51.52 C ATOM 288 CE2 TYR A 18 -2.212 -12.613 17.518 1.00 21.21 C ATOM 289 CZ TYR A 18 -1.278 -13.282 16.755 1.00 60.50 C ATOM 290 OH TYR A 18 -0.717 -14.447 17.226 1.00 34.43 O ATOM 0 H TYR A 18 -3.475 -10.615 12.537 1.00 32.11 H new ATOM 0 HA TYR A 18 -5.081 -10.187 14.943 1.00 41.23 H new ATOM 0 HB2 TYR A 18 -2.267 -9.076 14.755 1.00 75.22 H new ATOM 0 HB3 TYR A 18 -3.352 -9.041 16.131 1.00 75.22 H new ATOM 0 HD1 TYR A 18 -1.175 -11.238 14.087 1.00 1.41 H new ATOM 0 HD2 TYR A 18 -3.505 -10.924 17.641 1.00 55.22 H new ATOM 0 HE1 TYR A 18 -0.173 -13.318 14.926 1.00 51.52 H new ATOM 0 HE2 TYR A 18 -2.503 -13.001 18.483 1.00 21.21 H new ATOM 0 HH TYR A 18 -1.087 -14.655 18.109 1.00 34.43 H new ATOM 300 N PRO A 19 -5.378 -7.735 14.293 1.00 51.22 N ATOM 301 CA PRO A 19 -5.806 -6.448 13.736 1.00 3.35 C ATOM 302 C PRO A 19 -4.662 -5.443 13.654 1.00 63.01 C ATOM 303 O PRO A 19 -3.557 -5.704 14.132 1.00 12.22 O ATOM 304 CB PRO A 19 -6.868 -5.968 14.728 1.00 12.15 C ATOM 305 CG PRO A 19 -6.519 -6.640 16.012 1.00 54.25 C ATOM 306 CD PRO A 19 -5.935 -7.973 15.635 1.00 24.12 C ATOM 0 HA PRO A 19 -6.171 -6.548 12.714 1.00 3.35 H new ATOM 0 HB2 PRO A 19 -6.851 -4.883 14.832 1.00 12.15 H new ATOM 0 HB3 PRO A 19 -7.870 -6.241 14.398 1.00 12.15 H new ATOM 0 HG2 PRO A 19 -5.803 -6.047 16.581 1.00 54.25 H new ATOM 0 HG3 PRO A 19 -7.401 -6.764 16.640 1.00 54.25 H new ATOM 0 HD2 PRO A 19 -5.165 -8.288 16.339 1.00 24.12 H new ATOM 0 HD3 PRO A 19 -6.694 -8.755 15.622 1.00 24.12 H new ATOM 314 N HIS A 20 -4.933 -4.293 13.045 1.00 63.14 N ATOM 315 CA HIS A 20 -3.925 -3.248 12.901 1.00 73.25 C ATOM 316 C HIS A 20 -3.574 -2.642 14.256 1.00 42.12 C ATOM 317 O HIS A 20 -4.421 -2.550 15.144 1.00 73.31 O ATOM 318 CB HIS A 20 -4.425 -2.156 11.954 1.00 3.02 C ATOM 319 CG HIS A 20 -5.035 -2.688 10.694 1.00 32.14 C ATOM 320 ND1 HIS A 20 -4.461 -3.695 9.947 1.00 54.32 N ATOM 321 CD2 HIS A 20 -6.177 -2.349 10.052 1.00 14.21 C ATOM 322 CE1 HIS A 20 -5.223 -3.950 8.898 1.00 33.43 C ATOM 323 NE2 HIS A 20 -6.271 -3.148 8.939 1.00 13.50 N ATOM 0 H HIS A 20 -5.841 -4.061 12.643 1.00 63.14 H new ATOM 0 HA HIS A 20 -3.026 -3.699 12.481 1.00 73.25 H new ATOM 0 HB2 HIS A 20 -5.162 -1.545 12.475 1.00 3.02 H new ATOM 0 HB3 HIS A 20 -3.593 -1.501 11.696 1.00 3.02 H new ATOM 0 HD2 HIS A 20 -6.883 -1.591 10.358 1.00 14.21 H new ATOM 0 HE1 HIS A 20 -5.023 -4.689 8.136 1.00 33.43 H new ATOM 0 HE2 HIS A 20 -7.027 -3.126 8.255 1.00 13.50 H new ATOM 331 N TRP A 21 -2.320 -2.231 14.407 1.00 51.21 N ATOM 332 CA TRP A 21 -1.857 -1.634 15.655 1.00 62.14 C ATOM 333 C TRP A 21 -0.771 -0.596 15.392 1.00 71.54 C ATOM 334 O TRP A 21 0.115 -0.788 14.559 1.00 41.14 O ATOM 335 CB TRP A 21 -1.327 -2.717 16.596 1.00 73.10 C ATOM 336 CG TRP A 21 -0.712 -2.167 17.847 1.00 25.40 C ATOM 337 CD1 TRP A 21 0.546 -1.652 17.984 1.00 71.33 C ATOM 338 CD2 TRP A 21 -1.325 -2.080 19.138 1.00 74.35 C ATOM 339 NE1 TRP A 21 0.751 -1.250 19.282 1.00 73.15 N ATOM 340 CE2 TRP A 21 -0.382 -1.501 20.009 1.00 34.11 C ATOM 341 CE3 TRP A 21 -2.580 -2.433 19.641 1.00 12.02 C ATOM 342 CZ2 TRP A 21 -0.657 -1.269 21.354 1.00 23.33 C ATOM 343 CZ3 TRP A 21 -2.851 -2.203 20.977 1.00 42.44 C ATOM 344 CH2 TRP A 21 -1.893 -1.625 21.821 1.00 52.44 C ATOM 0 H TRP A 21 -1.606 -2.300 13.682 1.00 51.21 H new ATOM 0 HA TRP A 21 -2.704 -1.135 16.126 1.00 62.14 H new ATOM 0 HB2 TRP A 21 -2.144 -3.386 16.865 1.00 73.10 H new ATOM 0 HB3 TRP A 21 -0.585 -3.316 16.068 1.00 73.10 H new ATOM 0 HD1 TRP A 21 1.273 -1.573 17.189 1.00 71.33 H new ATOM 0 HE1 TRP A 21 1.608 -0.832 19.645 1.00 73.15 H new ATOM 0 HE3 TRP A 21 -3.325 -2.878 18.998 1.00 12.02 H new ATOM 0 HZ2 TRP A 21 0.080 -0.824 22.006 1.00 23.33 H new ATOM 0 HZ3 TRP A 21 -3.817 -2.473 21.377 1.00 42.44 H new ATOM 0 HH2 TRP A 21 -2.135 -1.457 22.860 1.00 52.44 H new ATOM 355 N PRO A 22 -0.839 0.530 16.117 1.00 23.52 N ATOM 356 CA PRO A 22 0.132 1.619 15.980 1.00 40.42 C ATOM 357 C PRO A 22 1.509 1.241 16.515 1.00 35.45 C ATOM 358 O PRO A 22 1.674 0.997 17.710 1.00 24.42 O ATOM 359 CB PRO A 22 -0.477 2.745 16.819 1.00 13.03 C ATOM 360 CG PRO A 22 -1.335 2.050 17.819 1.00 32.14 C ATOM 361 CD PRO A 22 -1.868 0.825 17.128 1.00 3.22 C ATOM 0 HA PRO A 22 0.298 1.887 14.937 1.00 40.42 H new ATOM 0 HB2 PRO A 22 0.297 3.339 17.306 1.00 13.03 H new ATOM 0 HB3 PRO A 22 -1.062 3.427 16.202 1.00 13.03 H new ATOM 0 HG2 PRO A 22 -0.761 1.779 18.705 1.00 32.14 H new ATOM 0 HG3 PRO A 22 -2.148 2.695 18.151 1.00 32.14 H new ATOM 0 HD2 PRO A 22 -1.998 -0.004 17.823 1.00 3.22 H new ATOM 0 HD3 PRO A 22 -2.839 1.012 16.670 1.00 3.22 H new ATOM 369 N ALA A 23 2.493 1.194 15.624 1.00 70.31 N ATOM 370 CA ALA A 23 3.856 0.847 16.008 1.00 13.10 C ATOM 371 C ALA A 23 4.854 1.866 15.469 1.00 61.34 C ATOM 372 O ALA A 23 4.468 2.869 14.869 1.00 5.40 O ATOM 373 CB ALA A 23 4.204 -0.549 15.514 1.00 22.22 C ATOM 0 H ALA A 23 2.372 1.392 14.631 1.00 70.31 H new ATOM 0 HA ALA A 23 3.916 0.860 17.096 1.00 13.10 H new ATOM 0 HB1 ALA A 23 5.224 -0.795 15.808 1.00 22.22 H new ATOM 0 HB2 ALA A 23 3.516 -1.272 15.952 1.00 22.22 H new ATOM 0 HB3 ALA A 23 4.121 -0.582 14.428 1.00 22.22 H new ATOM 379 N ARG A 24 6.138 1.601 15.686 1.00 2.10 N ATOM 380 CA ARG A 24 7.192 2.496 15.223 1.00 13.31 C ATOM 381 C ARG A 24 8.192 1.750 14.345 1.00 2.21 C ATOM 382 O ARG A 24 8.596 0.630 14.659 1.00 12.44 O ATOM 383 CB ARG A 24 7.914 3.128 16.415 1.00 61.44 C ATOM 384 CG ARG A 24 9.167 3.897 16.029 1.00 11.13 C ATOM 385 CD ARG A 24 10.414 3.038 16.171 1.00 11.42 C ATOM 386 NE ARG A 24 11.638 3.821 16.021 1.00 54.23 N ATOM 387 CZ ARG A 24 12.167 4.552 16.995 1.00 12.33 C ATOM 388 NH1 ARG A 24 11.583 4.600 18.185 1.00 52.13 N ATOM 389 NH2 ARG A 24 13.283 5.237 16.781 1.00 11.33 N ATOM 0 H ARG A 24 6.474 0.774 16.179 1.00 2.10 H new ATOM 0 HA ARG A 24 6.730 3.284 14.628 1.00 13.31 H new ATOM 0 HB2 ARG A 24 7.228 3.802 16.929 1.00 61.44 H new ATOM 0 HB3 ARG A 24 8.182 2.345 17.124 1.00 61.44 H new ATOM 0 HG2 ARG A 24 9.079 4.245 15.000 1.00 11.13 H new ATOM 0 HG3 ARG A 24 9.260 4.782 16.658 1.00 11.13 H new ATOM 0 HD2 ARG A 24 10.411 2.553 17.147 1.00 11.42 H new ATOM 0 HD3 ARG A 24 10.396 2.246 15.422 1.00 11.42 H new ATOM 0 HE ARG A 24 12.112 3.805 15.118 1.00 54.23 H new ATOM 0 HH11 ARG A 24 10.725 4.074 18.354 1.00 52.13 H new ATOM 0 HH12 ARG A 24 11.992 5.162 18.931 1.00 52.13 H new ATOM 0 HH21 ARG A 24 13.735 5.202 15.867 1.00 11.33 H new ATOM 0 HH22 ARG A 24 13.688 5.798 17.530 1.00 11.33 H new ATOM 403 N VAL A 25 8.588 2.378 13.243 1.00 40.44 N ATOM 404 CA VAL A 25 9.541 1.775 12.319 1.00 24.12 C ATOM 405 C VAL A 25 10.977 2.041 12.759 1.00 14.41 C ATOM 406 O VAL A 25 11.312 3.148 13.181 1.00 50.30 O ATOM 407 CB VAL A 25 9.348 2.306 10.886 1.00 22.14 C ATOM 408 CG1 VAL A 25 10.347 1.661 9.938 1.00 23.43 C ATOM 409 CG2 VAL A 25 7.922 2.064 10.417 1.00 72.44 C ATOM 0 H VAL A 25 8.263 3.305 12.968 1.00 40.44 H new ATOM 0 HA VAL A 25 9.354 0.701 12.328 1.00 24.12 H new ATOM 0 HB VAL A 25 9.528 3.381 10.888 1.00 22.14 H new ATOM 0 HG11 VAL A 25 10.195 2.049 8.931 1.00 23.43 H new ATOM 0 HG12 VAL A 25 11.361 1.891 10.266 1.00 23.43 H new ATOM 0 HG13 VAL A 25 10.202 0.581 9.937 1.00 23.43 H new ATOM 0 HG21 VAL A 25 7.803 2.445 9.403 1.00 72.44 H new ATOM 0 HG22 VAL A 25 7.711 0.995 10.430 1.00 72.44 H new ATOM 0 HG23 VAL A 25 7.228 2.578 11.082 1.00 72.44 H new ATOM 419 N ASP A 26 11.820 1.020 12.657 1.00 11.12 N ATOM 420 CA ASP A 26 13.221 1.144 13.043 1.00 32.10 C ATOM 421 C ASP A 26 14.117 1.236 11.812 1.00 3.12 C ATOM 422 O ASP A 26 13.730 0.826 10.719 1.00 54.02 O ATOM 423 CB ASP A 26 13.641 -0.046 13.907 1.00 11.14 C ATOM 424 CG ASP A 26 14.804 0.285 14.822 1.00 32.00 C ATOM 425 OD1 ASP A 26 15.273 1.442 14.790 1.00 61.44 O ATOM 426 OD2 ASP A 26 15.245 -0.613 15.570 1.00 63.04 O ATOM 0 H ASP A 26 11.558 0.097 12.310 1.00 11.12 H new ATOM 0 HA ASP A 26 13.334 2.061 13.622 1.00 32.10 H new ATOM 0 HB2 ASP A 26 12.792 -0.373 14.507 1.00 11.14 H new ATOM 0 HB3 ASP A 26 13.916 -0.881 13.262 1.00 11.14 H new ATOM 431 N GLU A 27 15.317 1.778 11.999 1.00 13.11 N ATOM 432 CA GLU A 27 16.267 1.926 10.903 1.00 71.51 C ATOM 433 C GLU A 27 16.914 0.587 10.560 1.00 71.30 C ATOM 434 O GLU A 27 16.824 -0.373 11.325 1.00 32.34 O ATOM 435 CB GLU A 27 17.346 2.947 11.268 1.00 52.34 C ATOM 436 CG GLU A 27 17.889 3.712 10.072 1.00 20.12 C ATOM 437 CD GLU A 27 18.858 4.808 10.472 1.00 72.12 C ATOM 438 OE1 GLU A 27 18.423 5.767 11.143 1.00 1.13 O ATOM 439 OE2 GLU A 27 20.050 4.707 10.113 1.00 35.13 O ATOM 0 H GLU A 27 15.654 2.121 12.899 1.00 13.11 H new ATOM 0 HA GLU A 27 15.722 2.282 10.029 1.00 71.51 H new ATOM 0 HB2 GLU A 27 16.935 3.656 11.986 1.00 52.34 H new ATOM 0 HB3 GLU A 27 18.169 2.432 11.764 1.00 52.34 H new ATOM 0 HG2 GLU A 27 18.390 3.017 9.398 1.00 20.12 H new ATOM 0 HG3 GLU A 27 17.059 4.150 9.518 1.00 20.12 H new ATOM 585 N ASN A 38 13.149 -9.633 3.264 1.00 20.42 N ATOM 586 CA ASN A 38 12.123 -8.938 2.495 1.00 65.23 C ATOM 587 C ASN A 38 11.131 -8.239 3.419 1.00 73.15 C ATOM 588 O ASN A 38 9.965 -8.053 3.069 1.00 32.41 O ATOM 589 CB ASN A 38 11.385 -9.922 1.585 1.00 50.34 C ATOM 590 CG ASN A 38 10.718 -9.233 0.409 1.00 3.14 C ATOM 591 OD1 ASN A 38 11.375 -8.875 -0.568 1.00 52.44 O ATOM 592 ND2 ASN A 38 9.407 -9.044 0.501 1.00 70.34 N ATOM 0 HA ASN A 38 12.613 -8.183 1.880 1.00 65.23 H new ATOM 0 HB2 ASN A 38 12.088 -10.668 1.215 1.00 50.34 H new ATOM 0 HB3 ASN A 38 10.632 -10.455 2.165 1.00 50.34 H new ATOM 0 HD21 ASN A 38 8.903 -8.585 -0.258 1.00 70.34 H new ATOM 0 HD22 ASN A 38 8.903 -9.358 1.331 1.00 70.34 H new ATOM 599 N LYS A 39 11.601 -7.853 4.600 1.00 40.34 N ATOM 600 CA LYS A 39 10.757 -7.172 5.574 1.00 31.14 C ATOM 601 C LYS A 39 11.543 -6.097 6.318 1.00 31.23 C ATOM 602 O LYS A 39 12.745 -5.933 6.105 1.00 51.01 O ATOM 603 CB LYS A 39 10.180 -8.179 6.572 1.00 62.43 C ATOM 604 CG LYS A 39 9.381 -9.293 5.918 1.00 75.01 C ATOM 605 CD LYS A 39 8.791 -10.238 6.952 1.00 3.40 C ATOM 606 CE LYS A 39 8.735 -11.666 6.434 1.00 72.54 C ATOM 607 NZ LYS A 39 10.070 -12.324 6.473 1.00 44.01 N ATOM 0 H LYS A 39 12.563 -8.000 4.906 1.00 40.34 H new ATOM 0 HA LYS A 39 9.939 -6.693 5.036 1.00 31.14 H new ATOM 0 HB2 LYS A 39 10.996 -8.617 7.146 1.00 62.43 H new ATOM 0 HB3 LYS A 39 9.540 -7.651 7.279 1.00 62.43 H new ATOM 0 HG2 LYS A 39 8.579 -8.863 5.318 1.00 75.01 H new ATOM 0 HG3 LYS A 39 10.024 -9.852 5.238 1.00 75.01 H new ATOM 0 HD2 LYS A 39 9.390 -10.203 7.862 1.00 3.40 H new ATOM 0 HD3 LYS A 39 7.787 -9.907 7.218 1.00 3.40 H new ATOM 0 HE2 LYS A 39 8.029 -12.242 7.032 1.00 72.54 H new ATOM 0 HE3 LYS A 39 8.360 -11.666 5.411 1.00 72.54 H new ATOM 0 HZ1 LYS A 39 9.989 -13.296 6.112 1.00 44.01 H new ATOM 0 HZ2 LYS A 39 10.738 -11.789 5.882 1.00 44.01 H new ATOM 0 HZ3 LYS A 39 10.417 -12.347 7.453 1.00 44.01 H new ATOM 621 N LEU A 40 10.858 -5.369 7.193 1.00 51.33 N ATOM 622 CA LEU A 40 11.493 -4.310 7.970 1.00 14.12 C ATOM 623 C LEU A 40 11.148 -4.440 9.450 1.00 11.23 C ATOM 624 O LEU A 40 10.149 -5.052 9.829 1.00 53.51 O ATOM 625 CB LEU A 40 11.057 -2.938 7.452 1.00 70.32 C ATOM 626 CG LEU A 40 9.634 -2.851 6.899 1.00 41.33 C ATOM 627 CD1 LEU A 40 9.066 -1.455 7.106 1.00 71.44 C ATOM 628 CD2 LEU A 40 9.611 -3.225 5.424 1.00 43.53 C ATOM 0 H LEU A 40 9.863 -5.492 7.382 1.00 51.33 H new ATOM 0 HA LEU A 40 12.573 -4.408 7.857 1.00 14.12 H new ATOM 0 HB2 LEU A 40 11.155 -2.217 8.264 1.00 70.32 H new ATOM 0 HB3 LEU A 40 11.749 -2.631 6.668 1.00 70.32 H new ATOM 0 HG LEU A 40 9.009 -3.560 7.442 1.00 41.33 H new ATOM 0 HD11 LEU A 40 8.053 -1.411 6.706 1.00 71.44 H new ATOM 0 HD12 LEU A 40 9.046 -1.224 8.171 1.00 71.44 H new ATOM 0 HD13 LEU A 40 9.691 -0.727 6.589 1.00 71.44 H new ATOM 0 HD21 LEU A 40 8.590 -3.157 5.047 1.00 43.53 H new ATOM 0 HD22 LEU A 40 10.250 -2.541 4.865 1.00 43.53 H new ATOM 0 HD23 LEU A 40 9.976 -4.245 5.301 1.00 43.53 H new ATOM 640 N PRO A 41 11.992 -3.849 10.309 1.00 64.31 N ATOM 641 CA PRO A 41 11.796 -3.883 11.761 1.00 4.43 C ATOM 642 C PRO A 41 10.603 -3.043 12.205 1.00 43.13 C ATOM 643 O PRO A 41 10.527 -1.851 11.906 1.00 14.32 O ATOM 644 CB PRO A 41 13.099 -3.293 12.309 1.00 55.34 C ATOM 645 CG PRO A 41 13.616 -2.432 11.209 1.00 50.55 C ATOM 646 CD PRO A 41 13.203 -3.103 9.928 1.00 63.01 C ATOM 0 HA PRO A 41 11.584 -4.890 12.120 1.00 4.43 H new ATOM 0 HB2 PRO A 41 12.921 -2.714 13.215 1.00 55.34 H new ATOM 0 HB3 PRO A 41 13.811 -4.077 12.566 1.00 55.34 H new ATOM 0 HG2 PRO A 41 13.202 -1.426 11.274 1.00 50.55 H new ATOM 0 HG3 PRO A 41 14.700 -2.335 11.266 1.00 50.55 H new ATOM 0 HD2 PRO A 41 12.997 -2.376 9.142 1.00 63.01 H new ATOM 0 HD3 PRO A 41 13.982 -3.766 9.552 1.00 63.01 H new ATOM 654 N ILE A 42 9.676 -3.672 12.918 1.00 14.23 N ATOM 655 CA ILE A 42 8.487 -2.981 13.404 1.00 64.02 C ATOM 656 C ILE A 42 8.353 -3.115 14.917 1.00 62.22 C ATOM 657 O ILE A 42 7.972 -4.169 15.426 1.00 34.20 O ATOM 658 CB ILE A 42 7.209 -3.522 12.736 1.00 24.43 C ATOM 659 CG1 ILE A 42 7.402 -3.624 11.222 1.00 45.21 C ATOM 660 CG2 ILE A 42 6.021 -2.631 13.066 1.00 44.12 C ATOM 661 CD1 ILE A 42 7.750 -2.305 10.567 1.00 14.14 C ATOM 0 H ILE A 42 9.724 -4.659 13.172 1.00 14.23 H new ATOM 0 HA ILE A 42 8.605 -1.929 13.144 1.00 64.02 H new ATOM 0 HB ILE A 42 7.008 -4.520 13.125 1.00 24.43 H new ATOM 0 HG12 ILE A 42 8.193 -4.344 11.012 1.00 45.21 H new ATOM 0 HG13 ILE A 42 6.489 -4.014 10.773 1.00 45.21 H new ATOM 0 HG21 ILE A 42 5.125 -3.026 12.587 1.00 44.12 H new ATOM 0 HG22 ILE A 42 5.874 -2.606 14.146 1.00 44.12 H new ATOM 0 HG23 ILE A 42 6.211 -1.621 12.702 1.00 44.12 H new ATOM 0 HD11 ILE A 42 7.872 -2.453 9.494 1.00 14.14 H new ATOM 0 HD12 ILE A 42 6.949 -1.588 10.746 1.00 14.14 H new ATOM 0 HD13 ILE A 42 8.680 -1.923 10.989 1.00 14.14 H new ATOM 673 N PHE A 43 8.668 -2.040 15.631 1.00 51.41 N ATOM 674 CA PHE A 43 8.582 -2.036 17.087 1.00 72.34 C ATOM 675 C PHE A 43 7.150 -1.775 17.546 1.00 23.42 C ATOM 676 O PHE A 43 6.642 -0.660 17.428 1.00 72.42 O ATOM 677 CB PHE A 43 9.518 -0.977 17.672 1.00 62.13 C ATOM 678 CG PHE A 43 9.633 -1.039 19.168 1.00 20.10 C ATOM 679 CD1 PHE A 43 10.028 -2.208 19.798 1.00 64.32 C ATOM 680 CD2 PHE A 43 9.346 0.072 19.945 1.00 61.32 C ATOM 681 CE1 PHE A 43 10.134 -2.268 21.174 1.00 30.25 C ATOM 682 CE2 PHE A 43 9.450 0.018 21.322 1.00 24.10 C ATOM 683 CZ PHE A 43 9.846 -1.153 21.937 1.00 31.45 C ATOM 0 H PHE A 43 8.985 -1.160 15.225 1.00 51.41 H new ATOM 0 HA PHE A 43 8.887 -3.019 17.447 1.00 72.34 H new ATOM 0 HB2 PHE A 43 10.509 -1.098 17.234 1.00 62.13 H new ATOM 0 HB3 PHE A 43 9.160 0.012 17.384 1.00 62.13 H new ATOM 0 HD1 PHE A 43 10.256 -3.082 19.206 1.00 64.32 H new ATOM 0 HD2 PHE A 43 9.037 0.991 19.469 1.00 61.32 H new ATOM 0 HE1 PHE A 43 10.442 -3.186 21.653 1.00 30.25 H new ATOM 0 HE2 PHE A 43 9.222 0.891 21.916 1.00 24.10 H new ATOM 0 HZ PHE A 43 9.930 -1.197 23.013 1.00 31.45 H new ATOM 693 N PHE A 44 6.505 -2.812 18.070 1.00 24.35 N ATOM 694 CA PHE A 44 5.132 -2.697 18.547 1.00 71.03 C ATOM 695 C PHE A 44 5.073 -1.906 19.850 1.00 12.30 C ATOM 696 O PHE A 44 5.615 -2.329 20.871 1.00 14.35 O ATOM 697 CB PHE A 44 4.523 -4.086 18.752 1.00 54.51 C ATOM 698 CG PHE A 44 3.898 -4.655 17.511 1.00 71.45 C ATOM 699 CD1 PHE A 44 2.987 -3.915 16.775 1.00 51.42 C ATOM 700 CD2 PHE A 44 4.222 -5.931 17.079 1.00 30.50 C ATOM 701 CE1 PHE A 44 2.410 -4.437 15.633 1.00 61.03 C ATOM 702 CE2 PHE A 44 3.649 -6.459 15.937 1.00 33.13 C ATOM 703 CZ PHE A 44 2.742 -5.710 15.213 1.00 63.33 C ATOM 0 H PHE A 44 6.911 -3.742 18.175 1.00 24.35 H new ATOM 0 HA PHE A 44 4.555 -2.163 17.792 1.00 71.03 H new ATOM 0 HB2 PHE A 44 5.299 -4.766 19.103 1.00 54.51 H new ATOM 0 HB3 PHE A 44 3.769 -4.031 19.537 1.00 54.51 H new ATOM 0 HD1 PHE A 44 2.725 -2.918 17.098 1.00 51.42 H new ATOM 0 HD2 PHE A 44 4.931 -6.520 17.641 1.00 30.50 H new ATOM 0 HE1 PHE A 44 1.700 -3.850 15.069 1.00 61.03 H new ATOM 0 HE2 PHE A 44 3.910 -7.455 15.612 1.00 33.13 H new ATOM 0 HZ PHE A 44 2.293 -6.119 14.320 1.00 63.33 H new ATOM 713 N PHE A 45 4.411 -0.754 19.806 1.00 3.04 N ATOM 714 CA PHE A 45 4.282 0.098 20.982 1.00 10.45 C ATOM 715 C PHE A 45 3.220 -0.445 21.934 1.00 22.11 C ATOM 716 O PHE A 45 2.266 -1.095 21.510 1.00 34.35 O ATOM 717 CB PHE A 45 3.927 1.527 20.566 1.00 13.34 C ATOM 718 CG PHE A 45 2.753 2.095 21.312 1.00 32.52 C ATOM 719 CD1 PHE A 45 1.462 1.912 20.842 1.00 64.13 C ATOM 720 CD2 PHE A 45 2.940 2.810 22.484 1.00 34.20 C ATOM 721 CE1 PHE A 45 0.381 2.434 21.526 1.00 73.43 C ATOM 722 CE2 PHE A 45 1.862 3.333 23.173 1.00 54.43 C ATOM 723 CZ PHE A 45 0.580 3.144 22.693 1.00 3.02 C ATOM 0 H PHE A 45 3.956 -0.390 18.969 1.00 3.04 H new ATOM 0 HA PHE A 45 5.240 0.105 21.501 1.00 10.45 H new ATOM 0 HB2 PHE A 45 4.793 2.169 20.725 1.00 13.34 H new ATOM 0 HB3 PHE A 45 3.711 1.543 19.498 1.00 13.34 H new ATOM 0 HD1 PHE A 45 1.299 1.355 19.931 1.00 64.13 H new ATOM 0 HD2 PHE A 45 3.940 2.960 22.864 1.00 34.20 H new ATOM 0 HE1 PHE A 45 -0.620 2.287 21.148 1.00 73.43 H new ATOM 0 HE2 PHE A 45 2.021 3.889 24.085 1.00 54.43 H new ATOM 0 HZ PHE A 45 -0.264 3.551 23.230 1.00 3.02 H new ATOM 733 N GLY A 46 3.395 -0.174 23.224 1.00 40.41 N ATOM 734 CA GLY A 46 2.446 -0.643 24.216 1.00 14.21 C ATOM 735 C GLY A 46 2.780 -2.030 24.728 1.00 54.02 C ATOM 736 O GLY A 46 2.615 -2.320 25.913 1.00 13.34 O ATOM 0 H GLY A 46 4.177 0.362 23.599 1.00 40.41 H new ATOM 0 HA2 GLY A 46 2.426 0.055 25.053 1.00 14.21 H new ATOM 0 HA3 GLY A 46 1.446 -0.650 23.783 1.00 14.21 H new ATOM 740 N THR A 47 3.250 -2.892 23.832 1.00 73.41 N ATOM 741 CA THR A 47 3.605 -4.258 24.198 1.00 10.42 C ATOM 742 C THR A 47 5.110 -4.478 24.103 1.00 63.41 C ATOM 743 O THR A 47 5.613 -5.551 24.438 1.00 30.43 O ATOM 744 CB THR A 47 2.889 -5.284 23.301 1.00 61.53 C ATOM 745 OG1 THR A 47 3.447 -5.256 21.982 1.00 10.22 O ATOM 746 CG2 THR A 47 1.397 -4.996 23.232 1.00 41.01 C ATOM 0 H THR A 47 3.394 -2.668 22.847 1.00 73.41 H new ATOM 0 HA THR A 47 3.284 -4.403 25.229 1.00 10.42 H new ATOM 0 HB THR A 47 3.032 -6.274 23.735 1.00 61.53 H new ATOM 0 HG1 THR A 47 2.812 -5.653 21.350 1.00 10.22 H new ATOM 0 HG21 THR A 47 0.913 -5.734 22.592 1.00 41.01 H new ATOM 0 HG22 THR A 47 0.970 -5.048 24.233 1.00 41.01 H new ATOM 0 HG23 THR A 47 1.237 -3.999 22.821 1.00 41.01 H new ATOM 754 N HIS A 48 5.826 -3.456 23.644 1.00 32.32 N ATOM 755 CA HIS A 48 7.276 -3.539 23.506 1.00 15.12 C ATOM 756 C HIS A 48 7.676 -4.784 22.721 1.00 65.10 C ATOM 757 O HIS A 48 8.711 -5.393 22.992 1.00 51.13 O ATOM 758 CB HIS A 48 7.940 -3.554 24.883 1.00 20.11 C ATOM 759 CG HIS A 48 7.964 -2.214 25.551 1.00 4.12 C ATOM 760 ND1 HIS A 48 7.850 -1.026 24.860 1.00 22.20 N ATOM 761 CD2 HIS A 48 8.089 -1.877 26.856 1.00 20.43 C ATOM 762 CE1 HIS A 48 7.905 -0.017 25.711 1.00 63.12 C ATOM 763 NE2 HIS A 48 8.050 -0.507 26.929 1.00 15.31 N ATOM 0 H HIS A 48 5.426 -2.561 23.361 1.00 32.32 H new ATOM 0 HA HIS A 48 7.616 -2.661 22.957 1.00 15.12 H new ATOM 0 HB2 HIS A 48 7.413 -4.261 25.524 1.00 20.11 H new ATOM 0 HB3 HIS A 48 8.962 -3.918 24.780 1.00 20.11 H new ATOM 0 HD2 HIS A 48 8.199 -2.559 27.686 1.00 20.43 H new ATOM 0 HE1 HIS A 48 7.842 1.030 25.454 1.00 63.12 H new ATOM 0 HE2 HIS A 48 8.121 0.043 27.785 1.00 15.31 H new ATOM 771 N GLU A 49 6.850 -5.156 21.749 1.00 71.54 N ATOM 772 CA GLU A 49 7.119 -6.330 20.926 1.00 33.11 C ATOM 773 C GLU A 49 7.783 -5.932 19.611 1.00 72.40 C ATOM 774 O GLU A 49 7.959 -4.748 19.324 1.00 53.14 O ATOM 775 CB GLU A 49 5.822 -7.092 20.645 1.00 14.43 C ATOM 776 CG GLU A 49 5.137 -7.610 21.899 1.00 72.34 C ATOM 777 CD GLU A 49 3.764 -8.190 21.616 1.00 24.11 C ATOM 778 OE1 GLU A 49 3.409 -8.322 20.426 1.00 30.24 O ATOM 779 OE2 GLU A 49 3.046 -8.512 22.586 1.00 61.13 O ATOM 0 H GLU A 49 5.990 -4.662 21.512 1.00 71.54 H new ATOM 0 HA GLU A 49 7.801 -6.979 21.476 1.00 33.11 H new ATOM 0 HB2 GLU A 49 5.134 -6.437 20.110 1.00 14.43 H new ATOM 0 HB3 GLU A 49 6.040 -7.933 19.986 1.00 14.43 H new ATOM 0 HG2 GLU A 49 5.762 -8.374 22.361 1.00 72.34 H new ATOM 0 HG3 GLU A 49 5.043 -6.797 22.619 1.00 72.34 H new ATOM 786 N THR A 50 8.151 -6.931 18.815 1.00 73.44 N ATOM 787 CA THR A 50 8.797 -6.688 17.531 1.00 12.42 C ATOM 788 C THR A 50 8.387 -7.734 16.502 1.00 73.24 C ATOM 789 O THR A 50 8.503 -8.935 16.743 1.00 33.24 O ATOM 790 CB THR A 50 10.331 -6.690 17.665 1.00 3.44 C ATOM 791 OG1 THR A 50 10.936 -6.805 16.373 1.00 71.15 O ATOM 792 CG2 THR A 50 10.795 -7.835 18.552 1.00 25.21 C ATOM 0 H THR A 50 8.013 -7.917 19.037 1.00 73.44 H new ATOM 0 HA THR A 50 8.470 -5.704 17.194 1.00 12.42 H new ATOM 0 HB THR A 50 10.634 -5.749 18.125 1.00 3.44 H new ATOM 0 HG1 THR A 50 11.911 -6.804 16.467 1.00 71.15 H new ATOM 0 HG21 THR A 50 11.882 -7.816 18.632 1.00 25.21 H new ATOM 0 HG22 THR A 50 10.356 -7.728 19.544 1.00 25.21 H new ATOM 0 HG23 THR A 50 10.480 -8.783 18.117 1.00 25.21 H new ATOM 800 N ALA A 51 7.907 -7.271 15.352 1.00 4.50 N ATOM 801 CA ALA A 51 7.483 -8.167 14.284 1.00 33.33 C ATOM 802 C ALA A 51 8.024 -7.709 12.934 1.00 1.24 C ATOM 803 O ALA A 51 8.001 -6.520 12.616 1.00 11.45 O ATOM 804 CB ALA A 51 5.964 -8.257 14.243 1.00 24.22 C ATOM 0 H ALA A 51 7.802 -6.280 15.137 1.00 4.50 H new ATOM 0 HA ALA A 51 7.890 -9.157 14.491 1.00 33.33 H new ATOM 0 HB1 ALA A 51 5.661 -8.930 13.441 1.00 24.22 H new ATOM 0 HB2 ALA A 51 5.596 -8.639 15.195 1.00 24.22 H new ATOM 0 HB3 ALA A 51 5.546 -7.267 14.064 1.00 24.22 H new ATOM 810 N PHE A 52 8.512 -8.659 12.144 1.00 32.20 N ATOM 811 CA PHE A 52 9.061 -8.352 10.828 1.00 30.25 C ATOM 812 C PHE A 52 7.987 -8.467 9.751 1.00 41.25 C ATOM 813 O PHE A 52 7.499 -9.559 9.457 1.00 23.24 O ATOM 814 CB PHE A 52 10.225 -9.292 10.506 1.00 0.34 C ATOM 815 CG PHE A 52 11.521 -8.882 11.146 1.00 52.42 C ATOM 816 CD1 PHE A 52 12.006 -7.592 10.995 1.00 75.41 C ATOM 817 CD2 PHE A 52 12.254 -9.785 11.898 1.00 32.11 C ATOM 818 CE1 PHE A 52 13.198 -7.213 11.582 1.00 50.15 C ATOM 819 CE2 PHE A 52 13.447 -9.411 12.488 1.00 72.24 C ATOM 820 CZ PHE A 52 13.919 -8.123 12.330 1.00 51.12 C ATOM 0 H PHE A 52 8.539 -9.648 12.392 1.00 32.20 H new ATOM 0 HA PHE A 52 9.426 -7.325 10.844 1.00 30.25 H new ATOM 0 HB2 PHE A 52 9.970 -10.299 10.834 1.00 0.34 H new ATOM 0 HB3 PHE A 52 10.360 -9.334 9.425 1.00 0.34 H new ATOM 0 HD1 PHE A 52 11.446 -6.876 10.412 1.00 75.41 H new ATOM 0 HD2 PHE A 52 11.889 -10.794 12.025 1.00 32.11 H new ATOM 0 HE1 PHE A 52 13.566 -6.205 11.456 1.00 50.15 H new ATOM 0 HE2 PHE A 52 14.009 -10.125 13.072 1.00 72.24 H new ATOM 0 HZ PHE A 52 14.850 -7.828 12.790 1.00 51.12 H new ATOM 830 N LEU A 53 7.623 -7.332 9.164 1.00 13.22 N ATOM 831 CA LEU A 53 6.606 -7.303 8.119 1.00 51.05 C ATOM 832 C LEU A 53 7.011 -6.360 6.990 1.00 5.25 C ATOM 833 O LEU A 53 7.463 -5.242 7.234 1.00 15.44 O ATOM 834 CB LEU A 53 5.259 -6.870 8.701 1.00 23.31 C ATOM 835 CG LEU A 53 4.879 -7.491 10.046 1.00 71.44 C ATOM 836 CD1 LEU A 53 3.728 -6.726 10.680 1.00 30.44 C ATOM 837 CD2 LEU A 53 4.515 -8.959 9.871 1.00 12.43 C ATOM 0 H LEU A 53 8.017 -6.420 9.394 1.00 13.22 H new ATOM 0 HA LEU A 53 6.512 -8.309 7.711 1.00 51.05 H new ATOM 0 HB2 LEU A 53 5.266 -5.786 8.813 1.00 23.31 H new ATOM 0 HB3 LEU A 53 4.479 -7.111 7.979 1.00 23.31 H new ATOM 0 HG LEU A 53 5.740 -7.428 10.711 1.00 71.44 H new ATOM 0 HD11 LEU A 53 3.471 -7.182 11.636 1.00 30.44 H new ATOM 0 HD12 LEU A 53 4.025 -5.689 10.840 1.00 30.44 H new ATOM 0 HD13 LEU A 53 2.862 -6.758 10.019 1.00 30.44 H new ATOM 0 HD21 LEU A 53 4.247 -9.385 10.838 1.00 12.43 H new ATOM 0 HD22 LEU A 53 3.669 -9.045 9.189 1.00 12.43 H new ATOM 0 HD23 LEU A 53 5.368 -9.499 9.460 1.00 12.43 H new ATOM 849 N GLY A 54 6.846 -6.819 5.754 1.00 55.25 N ATOM 850 CA GLY A 54 7.197 -6.003 4.606 1.00 2.32 C ATOM 851 C GLY A 54 6.374 -4.732 4.524 1.00 25.33 C ATOM 852 O GLY A 54 5.545 -4.448 5.388 1.00 10.34 O ATOM 0 H GLY A 54 6.475 -7.742 5.526 1.00 55.25 H new ATOM 0 HA2 GLY A 54 8.255 -5.745 4.658 1.00 2.32 H new ATOM 0 HA3 GLY A 54 7.055 -6.584 3.694 1.00 2.32 H new ATOM 856 N PRO A 55 6.603 -3.942 3.465 1.00 72.12 N ATOM 857 CA PRO A 55 5.887 -2.681 3.249 1.00 71.23 C ATOM 858 C PRO A 55 4.421 -2.901 2.893 1.00 54.24 C ATOM 859 O PRO A 55 3.549 -2.134 3.304 1.00 63.12 O ATOM 860 CB PRO A 55 6.633 -2.046 2.073 1.00 65.41 C ATOM 861 CG PRO A 55 7.243 -3.195 1.346 1.00 35.41 C ATOM 862 CD PRO A 55 7.577 -4.219 2.396 1.00 51.02 C ATOM 0 HA PRO A 55 5.872 -2.062 4.146 1.00 71.23 H new ATOM 0 HB2 PRO A 55 5.954 -1.486 1.430 1.00 65.41 H new ATOM 0 HB3 PRO A 55 7.395 -1.347 2.418 1.00 65.41 H new ATOM 0 HG2 PRO A 55 6.551 -3.603 0.609 1.00 35.41 H new ATOM 0 HG3 PRO A 55 8.137 -2.884 0.805 1.00 35.41 H new ATOM 0 HD2 PRO A 55 7.476 -5.235 2.013 1.00 51.02 H new ATOM 0 HD3 PRO A 55 8.603 -4.112 2.749 1.00 51.02 H new ATOM 870 N LYS A 56 4.154 -3.953 2.126 1.00 52.31 N ATOM 871 CA LYS A 56 2.792 -4.275 1.715 1.00 25.32 C ATOM 872 C LYS A 56 1.969 -4.770 2.900 1.00 25.23 C ATOM 873 O LYS A 56 0.749 -4.902 2.809 1.00 71.14 O ATOM 874 CB LYS A 56 2.808 -5.337 0.613 1.00 43.31 C ATOM 875 CG LYS A 56 3.828 -5.064 -0.479 1.00 62.31 C ATOM 876 CD LYS A 56 3.703 -6.060 -1.620 1.00 70.01 C ATOM 877 CE LYS A 56 4.411 -7.367 -1.299 1.00 73.50 C ATOM 878 NZ LYS A 56 3.869 -8.502 -2.097 1.00 35.13 N ATOM 0 H LYS A 56 4.863 -4.597 1.776 1.00 52.31 H new ATOM 0 HA LYS A 56 2.331 -3.366 1.329 1.00 25.32 H new ATOM 0 HB2 LYS A 56 3.017 -6.309 1.060 1.00 43.31 H new ATOM 0 HB3 LYS A 56 1.816 -5.399 0.165 1.00 43.31 H new ATOM 0 HG2 LYS A 56 3.691 -4.052 -0.861 1.00 62.31 H new ATOM 0 HG3 LYS A 56 4.833 -5.113 -0.060 1.00 62.31 H new ATOM 0 HD2 LYS A 56 2.649 -6.255 -1.820 1.00 70.01 H new ATOM 0 HD3 LYS A 56 4.125 -5.630 -2.528 1.00 70.01 H new ATOM 0 HE2 LYS A 56 5.478 -7.260 -1.497 1.00 73.50 H new ATOM 0 HE3 LYS A 56 4.304 -7.586 -0.237 1.00 73.50 H new ATOM 0 HZ1 LYS A 56 4.378 -9.375 -1.849 1.00 35.13 H new ATOM 0 HZ2 LYS A 56 2.857 -8.620 -1.889 1.00 35.13 H new ATOM 0 HZ3 LYS A 56 3.994 -8.305 -3.110 1.00 35.13 H new ATOM 892 N ASP A 57 2.645 -5.041 4.012 1.00 52.13 N ATOM 893 CA ASP A 57 1.975 -5.519 5.216 1.00 44.30 C ATOM 894 C ASP A 57 1.693 -4.366 6.175 1.00 64.14 C ATOM 895 O ASP A 57 0.727 -4.402 6.937 1.00 71.22 O ATOM 896 CB ASP A 57 2.828 -6.580 5.912 1.00 22.52 C ATOM 897 CG ASP A 57 2.504 -7.984 5.440 1.00 31.34 C ATOM 898 OD1 ASP A 57 2.027 -8.130 4.295 1.00 32.43 O ATOM 899 OD2 ASP A 57 2.728 -8.937 6.216 1.00 41.12 O ATOM 0 H ASP A 57 3.656 -4.938 4.104 1.00 52.13 H new ATOM 0 HA ASP A 57 1.024 -5.964 4.921 1.00 44.30 H new ATOM 0 HB2 ASP A 57 3.882 -6.372 5.729 1.00 22.52 H new ATOM 0 HB3 ASP A 57 2.673 -6.517 6.989 1.00 22.52 H new ATOM 904 N ILE A 58 2.544 -3.346 6.131 1.00 14.14 N ATOM 905 CA ILE A 58 2.385 -2.183 6.996 1.00 65.20 C ATOM 906 C ILE A 58 1.617 -1.072 6.288 1.00 31.34 C ATOM 907 O ILE A 58 1.856 -0.788 5.115 1.00 52.24 O ATOM 908 CB ILE A 58 3.749 -1.635 7.458 1.00 72.25 C ATOM 909 CG1 ILE A 58 4.643 -1.348 6.250 1.00 51.24 C ATOM 910 CG2 ILE A 58 4.424 -2.620 8.401 1.00 53.05 C ATOM 911 CD1 ILE A 58 5.940 -0.657 6.608 1.00 12.15 C ATOM 0 H ILE A 58 3.349 -3.301 5.507 1.00 14.14 H new ATOM 0 HA ILE A 58 1.820 -2.513 7.868 1.00 65.20 H new ATOM 0 HB ILE A 58 3.586 -0.701 7.996 1.00 72.25 H new ATOM 0 HG12 ILE A 58 4.869 -2.287 5.744 1.00 51.24 H new ATOM 0 HG13 ILE A 58 4.094 -0.728 5.541 1.00 51.24 H new ATOM 0 HG21 ILE A 58 5.386 -2.219 8.719 1.00 53.05 H new ATOM 0 HG22 ILE A 58 3.791 -2.780 9.274 1.00 53.05 H new ATOM 0 HG23 ILE A 58 4.578 -3.569 7.887 1.00 53.05 H new ATOM 0 HD11 ILE A 58 6.523 -0.485 5.703 1.00 12.15 H new ATOM 0 HD12 ILE A 58 5.723 0.298 7.087 1.00 12.15 H new ATOM 0 HD13 ILE A 58 6.510 -1.285 7.293 1.00 12.15 H new ATOM 923 N PHE A 59 0.694 -0.446 7.011 1.00 72.13 N ATOM 924 CA PHE A 59 -0.110 0.635 6.453 1.00 50.03 C ATOM 925 C PHE A 59 0.099 1.928 7.235 1.00 2.13 C ATOM 926 O PHE A 59 0.574 1.926 8.371 1.00 1.12 O ATOM 927 CB PHE A 59 -1.592 0.254 6.462 1.00 41.33 C ATOM 928 CG PHE A 59 -2.068 -0.333 5.164 1.00 62.32 C ATOM 929 CD1 PHE A 59 -1.659 -1.597 4.769 1.00 32.23 C ATOM 930 CD2 PHE A 59 -2.924 0.378 4.339 1.00 61.13 C ATOM 931 CE1 PHE A 59 -2.095 -2.140 3.575 1.00 10.32 C ATOM 932 CE2 PHE A 59 -3.363 -0.160 3.144 1.00 54.35 C ATOM 933 CZ PHE A 59 -2.949 -1.421 2.762 1.00 51.31 C ATOM 0 H PHE A 59 0.484 -0.669 7.984 1.00 72.13 H new ATOM 0 HA PHE A 59 0.210 0.798 5.424 1.00 50.03 H new ATOM 0 HB2 PHE A 59 -1.770 -0.464 7.263 1.00 41.33 H new ATOM 0 HB3 PHE A 59 -2.185 1.139 6.690 1.00 41.33 H new ATOM 0 HD1 PHE A 59 -0.992 -2.164 5.401 1.00 32.23 H new ATOM 0 HD2 PHE A 59 -3.252 1.364 4.633 1.00 61.13 H new ATOM 0 HE1 PHE A 59 -1.768 -3.126 3.278 1.00 10.32 H new ATOM 0 HE2 PHE A 59 -4.029 0.405 2.509 1.00 54.35 H new ATOM 0 HZ PHE A 59 -3.292 -1.844 1.829 1.00 51.31 H new ATOM 943 N PRO A 60 -0.263 3.060 6.614 1.00 11.31 N ATOM 944 CA PRO A 60 -0.125 4.382 7.233 1.00 62.00 C ATOM 945 C PRO A 60 -1.101 4.587 8.386 1.00 22.14 C ATOM 946 O PRO A 60 -2.294 4.312 8.259 1.00 72.12 O ATOM 947 CB PRO A 60 -0.442 5.345 6.087 1.00 42.45 C ATOM 948 CG PRO A 60 -1.308 4.562 5.162 1.00 61.23 C ATOM 949 CD PRO A 60 -0.836 3.137 5.260 1.00 51.42 C ATOM 0 HA PRO A 60 0.864 4.527 7.669 1.00 62.00 H new ATOM 0 HB2 PRO A 60 -0.954 6.236 6.449 1.00 42.45 H new ATOM 0 HB3 PRO A 60 0.468 5.680 5.589 1.00 42.45 H new ATOM 0 HG2 PRO A 60 -2.357 4.646 5.445 1.00 61.23 H new ATOM 0 HG3 PRO A 60 -1.223 4.932 4.140 1.00 61.23 H new ATOM 0 HD2 PRO A 60 -1.657 2.432 5.130 1.00 51.42 H new ATOM 0 HD3 PRO A 60 -0.094 2.906 4.496 1.00 51.42 H new ATOM 957 N TYR A 61 -0.587 5.072 9.511 1.00 23.42 N ATOM 958 CA TYR A 61 -1.413 5.312 10.688 1.00 32.42 C ATOM 959 C TYR A 61 -2.444 6.403 10.416 1.00 34.45 C ATOM 960 O TYR A 61 -3.403 6.568 11.170 1.00 33.34 O ATOM 961 CB TYR A 61 -0.539 5.706 11.879 1.00 4.25 C ATOM 962 CG TYR A 61 -0.464 7.199 12.108 1.00 61.04 C ATOM 963 CD1 TYR A 61 0.290 8.013 11.271 1.00 21.22 C ATOM 964 CD2 TYR A 61 -1.148 7.796 13.159 1.00 33.24 C ATOM 965 CE1 TYR A 61 0.362 9.377 11.477 1.00 73.14 C ATOM 966 CE2 TYR A 61 -1.084 9.159 13.371 1.00 4.45 C ATOM 967 CZ TYR A 61 -0.327 9.946 12.528 1.00 61.53 C ATOM 968 OH TYR A 61 -0.259 11.304 12.735 1.00 53.32 O ATOM 0 H TYR A 61 0.398 5.307 9.632 1.00 23.42 H new ATOM 0 HA TYR A 61 -1.941 4.388 10.924 1.00 32.42 H new ATOM 0 HB2 TYR A 61 -0.928 5.228 12.778 1.00 4.25 H new ATOM 0 HB3 TYR A 61 0.468 5.320 11.723 1.00 4.25 H new ATOM 0 HD1 TYR A 61 0.829 7.572 10.446 1.00 21.22 H new ATOM 0 HD2 TYR A 61 -1.741 7.183 13.822 1.00 33.24 H new ATOM 0 HE1 TYR A 61 0.955 9.995 10.819 1.00 73.14 H new ATOM 0 HE2 TYR A 61 -1.624 9.607 14.192 1.00 4.45 H new ATOM 0 HH TYR A 61 -0.075 11.482 13.681 1.00 53.32 H new ATOM 978 N SER A 62 -2.239 7.145 9.333 1.00 75.20 N ATOM 979 CA SER A 62 -3.149 8.223 8.962 1.00 63.33 C ATOM 980 C SER A 62 -4.502 7.667 8.529 1.00 61.05 C ATOM 981 O SER A 62 -5.500 8.386 8.503 1.00 50.13 O ATOM 982 CB SER A 62 -2.545 9.062 7.834 1.00 2.11 C ATOM 983 OG SER A 62 -2.907 8.547 6.565 1.00 64.33 O ATOM 0 H SER A 62 -1.451 7.020 8.697 1.00 75.20 H new ATOM 0 HA SER A 62 -3.299 8.856 9.836 1.00 63.33 H new ATOM 0 HB2 SER A 62 -2.885 10.094 7.922 1.00 2.11 H new ATOM 0 HB3 SER A 62 -1.459 9.076 7.928 1.00 2.11 H new ATOM 0 HG SER A 62 -2.510 9.102 5.861 1.00 64.33 H new ATOM 989 N GLU A 63 -4.526 6.382 8.189 1.00 23.11 N ATOM 990 CA GLU A 63 -5.756 5.730 7.756 1.00 21.51 C ATOM 991 C GLU A 63 -6.435 5.020 8.924 1.00 74.23 C ATOM 992 O GLU A 63 -7.662 4.974 9.007 1.00 1.40 O ATOM 993 CB GLU A 63 -5.462 4.728 6.638 1.00 63.25 C ATOM 994 CG GLU A 63 -5.537 5.331 5.245 1.00 61.00 C ATOM 995 CD GLU A 63 -5.660 4.279 4.160 1.00 43.35 C ATOM 996 OE1 GLU A 63 -6.564 3.424 4.261 1.00 42.13 O ATOM 997 OE2 GLU A 63 -4.851 4.312 3.208 1.00 1.23 O ATOM 0 H GLU A 63 -3.708 5.773 8.205 1.00 23.11 H new ATOM 0 HA GLU A 63 -6.431 6.498 7.378 1.00 21.51 H new ATOM 0 HB2 GLU A 63 -4.468 4.308 6.790 1.00 63.25 H new ATOM 0 HB3 GLU A 63 -6.170 3.902 6.706 1.00 63.25 H new ATOM 0 HG2 GLU A 63 -6.392 6.005 5.191 1.00 61.00 H new ATOM 0 HG3 GLU A 63 -4.645 5.931 5.064 1.00 61.00 H new ATOM 1004 N ASN A 64 -5.628 4.466 9.823 1.00 51.51 N ATOM 1005 CA ASN A 64 -6.151 3.758 10.985 1.00 25.44 C ATOM 1006 C ASN A 64 -6.556 4.737 12.083 1.00 70.12 C ATOM 1007 O ASN A 64 -7.589 4.567 12.732 1.00 45.13 O ATOM 1008 CB ASN A 64 -5.106 2.777 11.522 1.00 33.53 C ATOM 1009 CG ASN A 64 -4.732 1.716 10.505 1.00 41.45 C ATOM 1010 OD1 ASN A 64 -5.215 0.586 10.563 1.00 74.21 O ATOM 1011 ND2 ASN A 64 -3.866 2.078 9.565 1.00 51.21 N ATOM 0 H ASN A 64 -4.610 4.494 9.769 1.00 51.51 H new ATOM 0 HA ASN A 64 -7.036 3.203 10.673 1.00 25.44 H new ATOM 0 HB2 ASN A 64 -4.212 3.327 11.814 1.00 33.53 H new ATOM 0 HB3 ASN A 64 -5.492 2.295 12.420 1.00 33.53 H new ATOM 0 HD21 ASN A 64 -3.576 1.408 8.853 1.00 51.21 H new ATOM 0 HD22 ASN A 64 -3.491 3.026 9.555 1.00 51.21 H new ATOM 1018 N LYS A 65 -5.736 5.763 12.285 1.00 55.02 N ATOM 1019 CA LYS A 65 -6.009 6.772 13.302 1.00 60.14 C ATOM 1020 C LYS A 65 -7.374 7.414 13.079 1.00 55.13 C ATOM 1021 O LYS A 65 -7.984 7.936 14.011 1.00 2.54 O ATOM 1022 CB LYS A 65 -4.920 7.847 13.288 1.00 63.31 C ATOM 1023 CG LYS A 65 -5.034 8.814 12.122 1.00 21.50 C ATOM 1024 CD LYS A 65 -3.951 9.878 12.172 1.00 1.13 C ATOM 1025 CE LYS A 65 -4.380 11.145 11.448 1.00 72.45 C ATOM 1026 NZ LYS A 65 -3.307 12.177 11.451 1.00 24.41 N ATOM 0 H LYS A 65 -4.877 5.918 11.758 1.00 55.02 H new ATOM 0 HA LYS A 65 -6.013 6.280 14.274 1.00 60.14 H new ATOM 0 HB2 LYS A 65 -4.964 8.409 14.221 1.00 63.31 H new ATOM 0 HB3 LYS A 65 -3.944 7.363 13.254 1.00 63.31 H new ATOM 0 HG2 LYS A 65 -4.962 8.264 11.184 1.00 21.50 H new ATOM 0 HG3 LYS A 65 -6.014 9.290 12.138 1.00 21.50 H new ATOM 0 HD2 LYS A 65 -3.718 10.113 13.211 1.00 1.13 H new ATOM 0 HD3 LYS A 65 -3.038 9.491 11.720 1.00 1.13 H new ATOM 0 HE2 LYS A 65 -4.647 10.902 10.420 1.00 72.45 H new ATOM 0 HE3 LYS A 65 -5.274 11.549 11.923 1.00 72.45 H new ATOM 0 HZ1 LYS A 65 -3.639 13.025 10.948 1.00 24.41 H new ATOM 0 HZ2 LYS A 65 -3.069 12.428 12.432 1.00 24.41 H new ATOM 0 HZ3 LYS A 65 -2.462 11.801 10.975 1.00 24.41 H new ATOM 1040 N GLU A 66 -7.849 7.370 11.838 1.00 61.33 N ATOM 1041 CA GLU A 66 -9.143 7.947 11.494 1.00 10.22 C ATOM 1042 C GLU A 66 -10.263 6.931 11.695 1.00 31.54 C ATOM 1043 O GLU A 66 -11.436 7.292 11.789 1.00 54.13 O ATOM 1044 CB GLU A 66 -9.139 8.438 10.045 1.00 70.21 C ATOM 1045 CG GLU A 66 -10.488 8.955 9.574 1.00 61.45 C ATOM 1046 CD GLU A 66 -10.431 9.545 8.178 1.00 52.10 C ATOM 1047 OE1 GLU A 66 -9.313 9.812 7.691 1.00 1.32 O ATOM 1048 OE2 GLU A 66 -11.506 9.740 7.573 1.00 72.43 O ATOM 0 H GLU A 66 -7.357 6.941 11.054 1.00 61.33 H new ATOM 0 HA GLU A 66 -9.321 8.794 12.156 1.00 10.22 H new ATOM 0 HB2 GLU A 66 -8.399 9.231 9.941 1.00 70.21 H new ATOM 0 HB3 GLU A 66 -8.825 7.622 9.394 1.00 70.21 H new ATOM 0 HG2 GLU A 66 -11.211 8.140 9.591 1.00 61.45 H new ATOM 0 HG3 GLU A 66 -10.846 9.713 10.271 1.00 61.45 H new ATOM 1055 N LYS A 67 -9.893 5.656 11.761 1.00 44.21 N ATOM 1056 CA LYS A 67 -10.864 4.585 11.952 1.00 43.44 C ATOM 1057 C LYS A 67 -11.347 4.540 13.398 1.00 64.02 C ATOM 1058 O LYS A 67 -12.532 4.728 13.673 1.00 41.02 O ATOM 1059 CB LYS A 67 -10.250 3.238 11.565 1.00 32.20 C ATOM 1060 CG LYS A 67 -10.500 2.848 10.118 1.00 11.33 C ATOM 1061 CD LYS A 67 -11.728 1.964 9.983 1.00 31.21 C ATOM 1062 CE LYS A 67 -13.012 2.762 10.154 1.00 45.12 C ATOM 1063 NZ LYS A 67 -13.119 3.860 9.153 1.00 31.14 N ATOM 0 H LYS A 67 -8.926 5.339 11.685 1.00 44.21 H new ATOM 0 HA LYS A 67 -11.720 4.785 11.308 1.00 43.44 H new ATOM 0 HB2 LYS A 67 -9.175 3.274 11.742 1.00 32.20 H new ATOM 0 HB3 LYS A 67 -10.655 2.463 12.216 1.00 32.20 H new ATOM 0 HG2 LYS A 67 -10.630 3.747 9.515 1.00 11.33 H new ATOM 0 HG3 LYS A 67 -9.628 2.324 9.726 1.00 11.33 H new ATOM 0 HD2 LYS A 67 -11.725 1.483 9.005 1.00 31.21 H new ATOM 0 HD3 LYS A 67 -11.690 1.170 10.729 1.00 31.21 H new ATOM 0 HE2 LYS A 67 -13.869 2.096 10.056 1.00 45.12 H new ATOM 0 HE3 LYS A 67 -13.048 3.182 11.159 1.00 45.12 H new ATOM 0 HZ1 LYS A 67 -14.044 3.810 8.681 1.00 31.14 H new ATOM 0 HZ2 LYS A 67 -13.024 4.778 9.633 1.00 31.14 H new ATOM 0 HZ3 LYS A 67 -12.363 3.760 8.445 1.00 31.14 H new ATOM 1077 N TYR A 68 -10.421 4.291 14.318 1.00 75.22 N ATOM 1078 CA TYR A 68 -10.753 4.220 15.736 1.00 74.01 C ATOM 1079 C TYR A 68 -9.779 5.050 16.566 1.00 50.54 C ATOM 1080 O TYR A 68 -10.103 5.490 17.668 1.00 4.11 O ATOM 1081 CB TYR A 68 -10.737 2.767 16.213 1.00 31.20 C ATOM 1082 CG TYR A 68 -10.900 1.761 15.096 1.00 64.20 C ATOM 1083 CD1 TYR A 68 -12.161 1.364 14.670 1.00 61.22 C ATOM 1084 CD2 TYR A 68 -9.791 1.208 14.466 1.00 52.11 C ATOM 1085 CE1 TYR A 68 -12.314 0.444 13.650 1.00 2.42 C ATOM 1086 CE2 TYR A 68 -9.935 0.289 13.444 1.00 3.24 C ATOM 1087 CZ TYR A 68 -11.198 -0.090 13.041 1.00 41.25 C ATOM 1088 OH TYR A 68 -11.346 -1.005 12.023 1.00 11.25 O ATOM 0 H TYR A 68 -9.435 4.135 14.107 1.00 75.22 H new ATOM 0 HA TYR A 68 -11.755 4.628 15.869 1.00 74.01 H new ATOM 0 HB2 TYR A 68 -9.797 2.574 16.730 1.00 31.20 H new ATOM 0 HB3 TYR A 68 -11.537 2.623 16.940 1.00 31.20 H new ATOM 0 HD1 TYR A 68 -13.037 1.781 15.144 1.00 61.22 H new ATOM 0 HD2 TYR A 68 -8.800 1.501 14.781 1.00 52.11 H new ATOM 0 HE1 TYR A 68 -13.302 0.145 13.332 1.00 2.42 H new ATOM 0 HE2 TYR A 68 -9.063 -0.130 12.964 1.00 3.24 H new ATOM 0 HH TYR A 68 -10.463 -1.282 11.701 1.00 11.25 H new ATOM 1098 N GLY A 69 -8.582 5.262 16.025 1.00 35.35 N ATOM 1099 CA GLY A 69 -7.578 6.039 16.728 1.00 53.01 C ATOM 1100 C GLY A 69 -6.938 5.267 17.864 1.00 2.14 C ATOM 1101 O GLY A 69 -5.887 5.656 18.375 1.00 15.34 O ATOM 0 H GLY A 69 -8.291 4.910 15.113 1.00 35.35 H new ATOM 0 HA2 GLY A 69 -6.806 6.351 16.024 1.00 53.01 H new ATOM 0 HA3 GLY A 69 -8.036 6.947 17.122 1.00 53.01 H new ATOM 1105 N LYS A 70 -7.572 4.170 18.263 1.00 21.33 N ATOM 1106 CA LYS A 70 -7.059 3.340 19.347 1.00 2.32 C ATOM 1107 C LYS A 70 -7.462 1.882 19.154 1.00 14.02 C ATOM 1108 O LYS A 70 -8.399 1.564 18.421 1.00 31.12 O ATOM 1109 CB LYS A 70 -7.575 3.849 20.695 1.00 52.41 C ATOM 1110 CG LYS A 70 -8.816 3.123 21.185 1.00 63.42 C ATOM 1111 CD LYS A 70 -9.497 3.880 22.312 1.00 54.54 C ATOM 1112 CE LYS A 70 -10.942 3.437 22.488 1.00 25.40 C ATOM 1113 NZ LYS A 70 -11.054 1.959 22.632 1.00 61.30 N ATOM 0 H LYS A 70 -8.443 3.834 17.852 1.00 21.33 H new ATOM 0 HA LYS A 70 -5.971 3.402 19.335 1.00 2.32 H new ATOM 0 HB2 LYS A 70 -6.786 3.745 21.439 1.00 52.41 H new ATOM 0 HB3 LYS A 70 -7.796 4.913 20.612 1.00 52.41 H new ATOM 0 HG2 LYS A 70 -9.514 2.995 20.358 1.00 63.42 H new ATOM 0 HG3 LYS A 70 -8.543 2.125 21.529 1.00 63.42 H new ATOM 0 HD2 LYS A 70 -8.951 3.720 23.241 1.00 54.54 H new ATOM 0 HD3 LYS A 70 -9.466 4.950 22.104 1.00 54.54 H new ATOM 0 HE2 LYS A 70 -11.366 3.921 23.368 1.00 25.40 H new ATOM 0 HE3 LYS A 70 -11.529 3.764 21.630 1.00 25.40 H new ATOM 0 HZ1 LYS A 70 -12.013 1.713 22.950 1.00 61.30 H new ATOM 0 HZ2 LYS A 70 -10.866 1.506 21.715 1.00 61.30 H new ATOM 0 HZ3 LYS A 70 -10.361 1.625 23.332 1.00 61.30 H new ATOM 1127 N PRO A 71 -6.741 0.973 19.828 1.00 53.43 N ATOM 1128 CA PRO A 71 -7.008 -0.466 19.748 1.00 43.13 C ATOM 1129 C PRO A 71 -8.315 -0.852 20.431 1.00 22.43 C ATOM 1130 O PRO A 71 -8.695 -0.263 21.442 1.00 31.41 O ATOM 1131 CB PRO A 71 -5.817 -1.088 20.480 1.00 24.35 C ATOM 1132 CG PRO A 71 -5.350 -0.026 21.415 1.00 23.20 C ATOM 1133 CD PRO A 71 -5.611 1.281 20.720 1.00 42.33 C ATOM 0 HA PRO A 71 -7.116 -0.804 18.717 1.00 43.13 H new ATOM 0 HB2 PRO A 71 -6.110 -1.989 21.019 1.00 24.35 H new ATOM 0 HB3 PRO A 71 -5.030 -1.376 19.783 1.00 24.35 H new ATOM 0 HG2 PRO A 71 -5.885 -0.078 22.363 1.00 23.20 H new ATOM 0 HG3 PRO A 71 -4.290 -0.143 21.641 1.00 23.20 H new ATOM 0 HD2 PRO A 71 -5.862 2.070 21.429 1.00 42.33 H new ATOM 0 HD3 PRO A 71 -4.739 1.620 20.161 1.00 42.33 H new ATOM 1141 N ASN A 72 -8.998 -1.846 19.873 1.00 61.42 N ATOM 1142 CA ASN A 72 -10.263 -2.311 20.429 1.00 32.43 C ATOM 1143 C ASN A 72 -10.054 -3.549 21.296 1.00 21.24 C ATOM 1144 O ASN A 72 -10.396 -3.558 22.479 1.00 53.10 O ATOM 1145 CB ASN A 72 -11.254 -2.623 19.306 1.00 33.42 C ATOM 1146 CG ASN A 72 -12.681 -2.732 19.808 1.00 72.11 C ATOM 1147 OD1 ASN A 72 -13.146 -1.892 20.579 1.00 25.30 O ATOM 1148 ND2 ASN A 72 -13.384 -3.771 19.371 1.00 12.24 N ATOM 0 H ASN A 72 -8.696 -2.345 19.036 1.00 61.42 H new ATOM 0 HA ASN A 72 -10.670 -1.516 21.054 1.00 32.43 H new ATOM 0 HB2 ASN A 72 -11.197 -1.842 18.548 1.00 33.42 H new ATOM 0 HB3 ASN A 72 -10.969 -3.558 18.823 1.00 33.42 H new ATOM 0 HD21 ASN A 72 -14.350 -3.897 19.674 1.00 12.24 H new ATOM 0 HD22 ASN A 72 -12.958 -4.443 18.733 1.00 12.24 H new ATOM 1155 N LYS A 73 -9.489 -4.594 20.700 1.00 4.54 N ATOM 1156 CA LYS A 73 -9.231 -5.837 21.417 1.00 61.01 C ATOM 1157 C LYS A 73 -7.741 -6.162 21.425 1.00 45.44 C ATOM 1158 O LYS A 73 -7.350 -7.329 21.401 1.00 1.12 O ATOM 1159 CB LYS A 73 -10.011 -6.988 20.779 1.00 72.52 C ATOM 1160 CG LYS A 73 -10.089 -8.228 21.653 1.00 71.43 C ATOM 1161 CD LYS A 73 -11.493 -8.441 22.195 1.00 65.22 C ATOM 1162 CE LYS A 73 -11.844 -9.919 22.267 1.00 70.33 C ATOM 1163 NZ LYS A 73 -11.212 -10.583 23.440 1.00 33.24 N ATOM 0 H LYS A 73 -9.201 -4.604 19.722 1.00 4.54 H new ATOM 0 HA LYS A 73 -9.562 -5.708 22.448 1.00 61.01 H new ATOM 0 HB2 LYS A 73 -11.022 -6.649 20.553 1.00 72.52 H new ATOM 0 HB3 LYS A 73 -9.543 -7.251 19.830 1.00 72.52 H new ATOM 0 HG2 LYS A 73 -9.785 -9.101 21.076 1.00 71.43 H new ATOM 0 HG3 LYS A 73 -9.388 -8.134 22.483 1.00 71.43 H new ATOM 0 HD2 LYS A 73 -11.572 -7.998 23.188 1.00 65.22 H new ATOM 0 HD3 LYS A 73 -12.212 -7.926 21.558 1.00 65.22 H new ATOM 0 HE2 LYS A 73 -12.926 -10.033 22.325 1.00 70.33 H new ATOM 0 HE3 LYS A 73 -11.520 -10.414 21.351 1.00 70.33 H new ATOM 0 HZ1 LYS A 73 -11.476 -11.589 23.453 1.00 33.24 H new ATOM 0 HZ2 LYS A 73 -10.178 -10.497 23.372 1.00 33.24 H new ATOM 0 HZ3 LYS A 73 -11.540 -10.128 24.315 1.00 33.24 H new ATOM 1177 N ARG A 74 -6.913 -5.122 21.459 1.00 32.10 N ATOM 1178 CA ARG A 74 -5.466 -5.297 21.470 1.00 20.53 C ATOM 1179 C ARG A 74 -4.864 -4.764 22.767 1.00 43.53 C ATOM 1180 O ARG A 74 -4.987 -3.579 23.080 1.00 34.42 O ATOM 1181 CB ARG A 74 -4.835 -4.586 20.272 1.00 73.34 C ATOM 1182 CG ARG A 74 -5.182 -5.221 18.935 1.00 32.51 C ATOM 1183 CD ARG A 74 -4.278 -6.405 18.629 1.00 22.24 C ATOM 1184 NE ARG A 74 -3.342 -6.114 17.547 1.00 5.52 N ATOM 1185 CZ ARG A 74 -2.272 -6.855 17.281 1.00 40.01 C ATOM 1186 NH1 ARG A 74 -2.005 -7.927 18.014 1.00 10.23 N ATOM 1187 NH2 ARG A 74 -1.467 -6.525 16.279 1.00 51.01 N ATOM 0 H ARG A 74 -7.220 -4.150 21.479 1.00 32.10 H new ATOM 0 HA ARG A 74 -5.254 -6.364 21.403 1.00 20.53 H new ATOM 0 HB2 ARG A 74 -5.159 -3.545 20.266 1.00 73.34 H new ATOM 0 HB3 ARG A 74 -3.752 -4.581 20.392 1.00 73.34 H new ATOM 0 HG2 ARG A 74 -6.222 -5.549 18.946 1.00 32.51 H new ATOM 0 HG3 ARG A 74 -5.090 -4.478 18.143 1.00 32.51 H new ATOM 0 HD2 ARG A 74 -3.722 -6.678 19.526 1.00 22.24 H new ATOM 0 HD3 ARG A 74 -4.888 -7.267 18.358 1.00 22.24 H new ATOM 0 HE ARG A 74 -3.519 -5.297 16.963 1.00 5.52 H new ATOM 0 HH11 ARG A 74 -2.622 -8.185 18.784 1.00 10.23 H new ATOM 0 HH12 ARG A 74 -1.183 -8.494 17.807 1.00 10.23 H new ATOM 0 HH21 ARG A 74 -1.669 -5.702 15.712 1.00 51.01 H new ATOM 0 HH22 ARG A 74 -0.646 -7.095 16.076 1.00 51.01 H new ATOM 1201 N LYS A 75 -4.212 -5.645 23.517 1.00 23.11 N ATOM 1202 CA LYS A 75 -3.589 -5.264 24.779 1.00 31.13 C ATOM 1203 C LYS A 75 -2.695 -4.041 24.598 1.00 72.52 C ATOM 1204 O LYS A 75 -2.022 -3.898 23.578 1.00 74.31 O ATOM 1205 CB LYS A 75 -2.770 -6.429 25.340 1.00 72.11 C ATOM 1206 CG LYS A 75 -3.614 -7.496 26.015 1.00 30.40 C ATOM 1207 CD LYS A 75 -3.850 -7.176 27.481 1.00 12.44 C ATOM 1208 CE LYS A 75 -4.912 -8.081 28.086 1.00 71.30 C ATOM 1209 NZ LYS A 75 -6.288 -7.634 27.735 1.00 53.22 N ATOM 0 H LYS A 75 -4.101 -6.629 23.273 1.00 23.11 H new ATOM 0 HA LYS A 75 -4.381 -5.012 25.484 1.00 31.13 H new ATOM 0 HB2 LYS A 75 -2.202 -6.886 24.530 1.00 72.11 H new ATOM 0 HB3 LYS A 75 -2.047 -6.042 26.058 1.00 72.11 H new ATOM 0 HG2 LYS A 75 -4.572 -7.582 25.502 1.00 30.40 H new ATOM 0 HG3 LYS A 75 -3.118 -8.463 25.928 1.00 30.40 H new ATOM 0 HD2 LYS A 75 -2.917 -7.288 28.034 1.00 12.44 H new ATOM 0 HD3 LYS A 75 -4.157 -6.135 27.582 1.00 12.44 H new ATOM 0 HE2 LYS A 75 -4.761 -9.102 27.735 1.00 71.30 H new ATOM 0 HE3 LYS A 75 -4.801 -8.097 29.170 1.00 71.30 H new ATOM 0 HZ1 LYS A 75 -6.982 -8.277 28.166 1.00 53.22 H new ATOM 0 HZ2 LYS A 75 -6.441 -6.669 28.092 1.00 53.22 H new ATOM 0 HZ3 LYS A 75 -6.403 -7.643 26.701 1.00 53.22 H new ATOM 1223 N GLY A 76 -2.692 -3.162 25.596 1.00 74.45 N ATOM 1224 CA GLY A 76 -1.876 -1.964 25.526 1.00 33.43 C ATOM 1225 C GLY A 76 -2.678 -0.739 25.136 1.00 42.43 C ATOM 1226 O GLY A 76 -2.112 0.293 24.773 1.00 64.30 O ATOM 0 H GLY A 76 -3.240 -3.258 26.451 1.00 74.45 H new ATOM 0 HA2 GLY A 76 -1.404 -1.793 26.493 1.00 33.43 H new ATOM 0 HA3 GLY A 76 -1.075 -2.115 24.803 1.00 33.43 H new ATOM 1230 N PHE A 77 -4.000 -0.850 25.208 1.00 30.50 N ATOM 1231 CA PHE A 77 -4.881 0.257 24.856 1.00 33.14 C ATOM 1232 C PHE A 77 -4.709 1.419 25.830 1.00 42.43 C ATOM 1233 O PHE A 77 -4.618 1.221 27.040 1.00 32.23 O ATOM 1234 CB PHE A 77 -6.340 -0.206 24.851 1.00 64.14 C ATOM 1235 CG PHE A 77 -6.832 -0.654 26.197 1.00 2.22 C ATOM 1236 CD1 PHE A 77 -7.348 0.262 27.100 1.00 34.41 C ATOM 1237 CD2 PHE A 77 -6.778 -1.990 26.560 1.00 54.10 C ATOM 1238 CE1 PHE A 77 -7.801 -0.148 28.340 1.00 11.31 C ATOM 1239 CE2 PHE A 77 -7.230 -2.405 27.799 1.00 71.24 C ATOM 1240 CZ PHE A 77 -7.743 -1.483 28.689 1.00 11.23 C ATOM 0 H PHE A 77 -4.485 -1.696 25.507 1.00 30.50 H new ATOM 0 HA PHE A 77 -4.612 0.599 23.857 1.00 33.14 H new ATOM 0 HB2 PHE A 77 -6.970 0.609 24.496 1.00 64.14 H new ATOM 0 HB3 PHE A 77 -6.450 -1.026 24.142 1.00 64.14 H new ATOM 0 HD1 PHE A 77 -7.397 1.307 26.832 1.00 34.41 H new ATOM 0 HD2 PHE A 77 -6.378 -2.716 25.867 1.00 54.10 H new ATOM 0 HE1 PHE A 77 -8.200 0.575 29.036 1.00 11.31 H new ATOM 0 HE2 PHE A 77 -7.182 -3.449 28.070 1.00 71.24 H new ATOM 0 HZ PHE A 77 -8.098 -1.805 29.657 1.00 11.23 H new ATOM 1250 N ASN A 78 -4.664 2.633 25.290 1.00 1.22 N ATOM 1251 CA ASN A 78 -4.501 3.828 26.110 1.00 51.40 C ATOM 1252 C ASN A 78 -3.234 3.740 26.955 1.00 32.34 C ATOM 1253 O ASN A 78 -3.141 4.355 28.017 1.00 43.54 O ATOM 1254 CB ASN A 78 -5.719 4.021 27.015 1.00 14.12 C ATOM 1255 CG ASN A 78 -6.908 4.598 26.271 1.00 44.45 C ATOM 1256 OD1 ASN A 78 -8.005 4.042 26.304 1.00 14.45 O ATOM 1257 ND2 ASN A 78 -6.693 5.720 25.592 1.00 24.24 N ATOM 0 H ASN A 78 -4.738 2.815 24.289 1.00 1.22 H new ATOM 0 HA ASN A 78 -4.412 4.686 25.444 1.00 51.40 H new ATOM 0 HB2 ASN A 78 -5.998 3.063 27.453 1.00 14.12 H new ATOM 0 HB3 ASN A 78 -5.454 4.683 27.840 1.00 14.12 H new ATOM 0 HD21 ASN A 78 -7.454 6.154 25.070 1.00 24.24 H new ATOM 0 HD22 ASN A 78 -5.767 6.147 25.592 1.00 24.24 H new ATOM 1264 N GLU A 79 -2.262 2.970 26.476 1.00 32.34 N ATOM 1265 CA GLU A 79 -1.001 2.801 27.189 1.00 71.32 C ATOM 1266 C GLU A 79 0.105 3.629 26.541 1.00 71.41 C ATOM 1267 O GLU A 79 1.254 3.196 26.463 1.00 41.42 O ATOM 1268 CB GLU A 79 -0.599 1.325 27.216 1.00 60.40 C ATOM 1269 CG GLU A 79 -1.598 0.435 27.937 1.00 62.24 C ATOM 1270 CD GLU A 79 -1.947 0.950 29.319 1.00 3.24 C ATOM 1271 OE1 GLU A 79 -1.014 1.196 30.113 1.00 50.21 O ATOM 1272 OE2 GLU A 79 -3.151 1.107 29.608 1.00 12.22 O ATOM 0 H GLU A 79 -2.323 2.454 25.598 1.00 32.34 H new ATOM 0 HA GLU A 79 -1.141 3.151 28.212 1.00 71.32 H new ATOM 0 HB2 GLU A 79 -0.482 0.970 26.192 1.00 60.40 H new ATOM 0 HB3 GLU A 79 0.374 1.231 27.699 1.00 60.40 H new ATOM 0 HG2 GLU A 79 -2.508 0.359 27.341 1.00 62.24 H new ATOM 0 HG3 GLU A 79 -1.188 -0.571 28.021 1.00 62.24 H new ATOM 1279 N GLY A 80 -0.252 4.822 26.077 1.00 40.44 N ATOM 1280 CA GLY A 80 0.720 5.692 25.441 1.00 44.12 C ATOM 1281 C GLY A 80 0.410 5.936 23.977 1.00 3.23 C ATOM 1282 O GLY A 80 1.314 6.172 23.174 1.00 1.13 O ATOM 0 H GLY A 80 -1.197 5.202 26.130 1.00 40.44 H new ATOM 0 HA2 GLY A 80 0.748 6.646 25.967 1.00 44.12 H new ATOM 0 HA3 GLY A 80 1.712 5.250 25.530 1.00 44.12 H new ATOM 1286 N LEU A 81 -0.870 5.878 23.628 1.00 50.31 N ATOM 1287 CA LEU A 81 -1.297 6.093 22.250 1.00 55.52 C ATOM 1288 C LEU A 81 -0.995 7.520 21.802 1.00 14.14 C ATOM 1289 O LEU A 81 -0.781 7.777 20.618 1.00 45.02 O ATOM 1290 CB LEU A 81 -2.794 5.809 22.109 1.00 62.32 C ATOM 1291 CG LEU A 81 -3.417 6.149 20.755 1.00 72.13 C ATOM 1292 CD1 LEU A 81 -3.520 4.904 19.887 1.00 54.42 C ATOM 1293 CD2 LEU A 81 -4.787 6.785 20.943 1.00 44.43 C ATOM 0 H LEU A 81 -1.630 5.684 24.280 1.00 50.31 H new ATOM 0 HA LEU A 81 -0.741 5.406 21.612 1.00 55.52 H new ATOM 0 HB2 LEU A 81 -2.963 4.751 22.309 1.00 62.32 H new ATOM 0 HB3 LEU A 81 -3.324 6.368 22.881 1.00 62.32 H new ATOM 0 HG LEU A 81 -2.771 6.867 20.249 1.00 72.13 H new ATOM 0 HD11 LEU A 81 -3.966 5.165 18.927 1.00 54.42 H new ATOM 0 HD12 LEU A 81 -2.525 4.491 19.724 1.00 54.42 H new ATOM 0 HD13 LEU A 81 -4.144 4.163 20.387 1.00 54.42 H new ATOM 0 HD21 LEU A 81 -5.216 7.020 19.969 1.00 44.43 H new ATOM 0 HD22 LEU A 81 -5.442 6.090 21.469 1.00 44.43 H new ATOM 0 HD23 LEU A 81 -4.686 7.701 21.526 1.00 44.43 H new ATOM 1305 N TRP A 82 -0.979 8.443 22.757 1.00 23.33 N ATOM 1306 CA TRP A 82 -0.700 9.844 22.462 1.00 73.44 C ATOM 1307 C TRP A 82 0.775 10.048 22.134 1.00 14.21 C ATOM 1308 O TRP A 82 1.165 11.095 21.618 1.00 71.30 O ATOM 1309 CB TRP A 82 -1.100 10.725 23.646 1.00 43.31 C ATOM 1310 CG TRP A 82 -0.453 12.077 23.624 1.00 14.43 C ATOM 1311 CD1 TRP A 82 -0.954 13.216 23.060 1.00 1.12 C ATOM 1312 CD2 TRP A 82 0.813 12.431 24.190 1.00 24.11 C ATOM 1313 NE1 TRP A 82 -0.074 14.256 23.241 1.00 13.13 N ATOM 1314 CE2 TRP A 82 1.017 13.801 23.932 1.00 22.33 C ATOM 1315 CE3 TRP A 82 1.794 11.724 24.891 1.00 3.41 C ATOM 1316 CZ2 TRP A 82 2.162 14.474 24.350 1.00 12.22 C ATOM 1317 CZ3 TRP A 82 2.930 12.394 25.305 1.00 51.31 C ATOM 1318 CH2 TRP A 82 3.106 13.758 25.034 1.00 31.24 C ATOM 0 H TRP A 82 -1.156 8.247 23.742 1.00 23.33 H new ATOM 0 HA TRP A 82 -1.289 10.131 21.591 1.00 73.44 H new ATOM 0 HB2 TRP A 82 -2.183 10.848 23.649 1.00 43.31 H new ATOM 0 HB3 TRP A 82 -0.834 10.218 24.574 1.00 43.31 H new ATOM 0 HD1 TRP A 82 -1.902 13.288 22.547 1.00 1.12 H new ATOM 0 HE1 TRP A 82 -0.211 15.212 22.914 1.00 13.13 H new ATOM 0 HE3 TRP A 82 1.667 10.673 25.105 1.00 3.41 H new ATOM 0 HZ2 TRP A 82 2.300 15.525 24.142 1.00 12.22 H new ATOM 0 HZ3 TRP A 82 3.695 11.857 25.846 1.00 51.31 H new ATOM 0 HH2 TRP A 82 4.004 14.253 25.372 1.00 31.24 H new ATOM 1329 N GLU A 83 1.589 9.042 22.437 1.00 10.15 N ATOM 1330 CA GLU A 83 3.022 9.114 22.175 1.00 55.10 C ATOM 1331 C GLU A 83 3.311 8.946 20.686 1.00 20.52 C ATOM 1332 O GLU A 83 4.269 9.514 20.161 1.00 31.03 O ATOM 1333 CB GLU A 83 3.764 8.041 22.975 1.00 54.23 C ATOM 1334 CG GLU A 83 3.787 8.305 24.471 1.00 62.31 C ATOM 1335 CD GLU A 83 4.070 7.053 25.279 1.00 2.43 C ATOM 1336 OE1 GLU A 83 4.325 5.996 24.665 1.00 3.31 O ATOM 1337 OE2 GLU A 83 4.036 7.131 26.525 1.00 23.21 O ATOM 0 H GLU A 83 1.281 8.168 22.864 1.00 10.15 H new ATOM 0 HA GLU A 83 3.374 10.097 22.487 1.00 55.10 H new ATOM 0 HB2 GLU A 83 3.295 7.074 22.792 1.00 54.23 H new ATOM 0 HB3 GLU A 83 4.789 7.972 22.611 1.00 54.23 H new ATOM 0 HG2 GLU A 83 4.546 9.055 24.692 1.00 62.31 H new ATOM 0 HG3 GLU A 83 2.828 8.722 24.778 1.00 62.31 H new ATOM 1344 N ILE A 84 2.477 8.161 20.013 1.00 60.44 N ATOM 1345 CA ILE A 84 2.643 7.917 18.585 1.00 13.40 C ATOM 1346 C ILE A 84 2.522 9.212 17.789 1.00 11.51 C ATOM 1347 O ILE A 84 2.930 9.281 16.629 1.00 34.25 O ATOM 1348 CB ILE A 84 1.604 6.908 18.062 1.00 62.43 C ATOM 1349 CG1 ILE A 84 2.032 6.364 16.697 1.00 21.21 C ATOM 1350 CG2 ILE A 84 0.232 7.558 17.972 1.00 33.22 C ATOM 1351 CD1 ILE A 84 0.997 5.470 16.051 1.00 31.33 C ATOM 0 H ILE A 84 1.680 7.683 20.433 1.00 60.44 H new ATOM 0 HA ILE A 84 3.641 7.501 18.450 1.00 13.40 H new ATOM 0 HB ILE A 84 1.544 6.075 18.762 1.00 62.43 H new ATOM 0 HG12 ILE A 84 2.244 7.201 16.032 1.00 21.21 H new ATOM 0 HG13 ILE A 84 2.961 5.806 16.812 1.00 21.21 H new ATOM 0 HG21 ILE A 84 -0.491 6.832 17.601 1.00 33.22 H new ATOM 0 HG22 ILE A 84 -0.073 7.901 18.960 1.00 33.22 H new ATOM 0 HG23 ILE A 84 0.276 8.407 17.290 1.00 33.22 H new ATOM 0 HD11 ILE A 84 1.368 5.121 15.087 1.00 31.33 H new ATOM 0 HD12 ILE A 84 0.802 4.613 16.696 1.00 31.33 H new ATOM 0 HD13 ILE A 84 0.074 6.030 15.903 1.00 31.33 H new ATOM 1363 N ASP A 85 1.961 10.238 18.420 1.00 32.12 N ATOM 1364 CA ASP A 85 1.789 11.533 17.772 1.00 12.03 C ATOM 1365 C ASP A 85 2.624 12.604 18.467 1.00 22.43 C ATOM 1366 O ASP A 85 2.526 13.787 18.146 1.00 14.14 O ATOM 1367 CB ASP A 85 0.314 11.937 17.776 1.00 13.22 C ATOM 1368 CG ASP A 85 -0.034 12.870 16.633 1.00 71.34 C ATOM 1369 OD1 ASP A 85 0.244 12.511 15.469 1.00 53.22 O ATOM 1370 OD2 ASP A 85 -0.585 13.958 16.901 1.00 20.42 O ATOM 0 H ASP A 85 1.618 10.198 19.380 1.00 32.12 H new ATOM 0 HA ASP A 85 2.131 11.444 16.741 1.00 12.03 H new ATOM 0 HB2 ASP A 85 -0.305 11.042 17.712 1.00 13.22 H new ATOM 0 HB3 ASP A 85 0.076 12.422 18.723 1.00 13.22 H new ATOM 1375 N ASN A 86 3.446 12.179 19.422 1.00 72.12 N ATOM 1376 CA ASN A 86 4.297 13.102 20.164 1.00 63.43 C ATOM 1377 C ASN A 86 5.667 12.484 20.429 1.00 41.23 C ATOM 1378 O ASN A 86 6.680 12.948 19.906 1.00 74.54 O ATOM 1379 CB ASN A 86 3.635 13.487 21.488 1.00 53.42 C ATOM 1380 CG ASN A 86 2.486 14.459 21.298 1.00 41.22 C ATOM 1381 OD1 ASN A 86 2.596 15.640 21.630 1.00 35.51 O ATOM 1382 ND2 ASN A 86 1.376 13.966 20.761 1.00 23.50 N ATOM 0 H ASN A 86 3.540 11.202 19.700 1.00 72.12 H new ATOM 0 HA ASN A 86 4.432 13.999 19.559 1.00 63.43 H new ATOM 0 HB2 ASN A 86 3.269 12.588 21.983 1.00 53.42 H new ATOM 0 HB3 ASN A 86 4.380 13.933 22.147 1.00 53.42 H new ATOM 0 HD21 ASN A 86 0.570 14.573 20.609 1.00 23.50 H new ATOM 0 HD22 ASN A 86 1.329 12.981 20.501 1.00 23.50 H new ATOM 1389 N ASN A 87 5.690 11.435 21.244 1.00 15.14 N ATOM 1390 CA ASN A 87 6.935 10.754 21.579 1.00 33.40 C ATOM 1391 C ASN A 87 6.965 9.351 20.979 1.00 4.13 C ATOM 1392 O ASN A 87 6.811 8.348 21.676 1.00 64.42 O ATOM 1393 CB ASN A 87 7.105 10.675 23.098 1.00 61.25 C ATOM 1394 CG ASN A 87 8.521 10.313 23.502 1.00 1.24 C ATOM 1395 OD1 ASN A 87 9.465 10.503 22.736 1.00 45.03 O ATOM 1396 ND2 ASN A 87 8.675 9.789 24.713 1.00 74.33 N ATOM 0 H ASN A 87 4.860 11.038 21.685 1.00 15.14 H new ATOM 0 HA ASN A 87 7.760 11.329 21.157 1.00 33.40 H new ATOM 0 HB2 ASN A 87 6.837 11.634 23.541 1.00 61.25 H new ATOM 0 HB3 ASN A 87 6.414 9.934 23.500 1.00 61.25 H new ATOM 0 HD21 ASN A 87 9.605 9.527 25.041 1.00 74.33 H new ATOM 0 HD22 ASN A 87 7.864 9.649 25.315 1.00 74.33 H new ATOM 1403 N PRO A 88 7.170 9.278 19.656 1.00 73.04 N ATOM 1404 CA PRO A 88 7.227 8.004 18.933 1.00 53.04 C ATOM 1405 C PRO A 88 8.479 7.202 19.269 1.00 3.11 C ATOM 1406 O PRO A 88 8.603 6.036 18.893 1.00 14.30 O ATOM 1407 CB PRO A 88 7.244 8.431 17.463 1.00 72.23 C ATOM 1408 CG PRO A 88 7.816 9.806 17.474 1.00 3.23 C ATOM 1409 CD PRO A 88 7.361 10.433 18.763 1.00 42.30 C ATOM 0 HA PRO A 88 6.394 7.351 19.192 1.00 53.04 H new ATOM 0 HB2 PRO A 88 7.851 7.755 16.861 1.00 72.23 H new ATOM 0 HB3 PRO A 88 6.241 8.423 17.037 1.00 72.23 H new ATOM 0 HG2 PRO A 88 8.904 9.777 17.417 1.00 3.23 H new ATOM 0 HG3 PRO A 88 7.467 10.381 16.616 1.00 3.23 H new ATOM 0 HD2 PRO A 88 8.104 11.127 19.157 1.00 42.30 H new ATOM 0 HD3 PRO A 88 6.437 10.996 18.632 1.00 42.30 H new ATOM 1417 N LYS A 89 9.407 7.834 19.980 1.00 22.42 N ATOM 1418 CA LYS A 89 10.650 7.179 20.370 1.00 45.13 C ATOM 1419 C LYS A 89 10.721 7.001 21.883 1.00 74.41 C ATOM 1420 O LYS A 89 11.793 7.092 22.480 1.00 64.12 O ATOM 1421 CB LYS A 89 11.853 7.993 19.885 1.00 33.32 C ATOM 1422 CG LYS A 89 11.917 9.392 20.473 1.00 21.31 C ATOM 1423 CD LYS A 89 13.351 9.882 20.590 1.00 34.24 C ATOM 1424 CE LYS A 89 13.986 10.079 19.223 1.00 71.04 C ATOM 1425 NZ LYS A 89 13.252 11.088 18.410 1.00 12.33 N ATOM 0 H LYS A 89 9.322 8.799 20.298 1.00 22.42 H new ATOM 0 HA LYS A 89 10.673 6.194 19.905 1.00 45.13 H new ATOM 0 HB2 LYS A 89 12.769 7.459 20.139 1.00 33.32 H new ATOM 0 HB3 LYS A 89 11.817 8.066 18.798 1.00 33.32 H new ATOM 0 HG2 LYS A 89 11.347 10.078 19.846 1.00 21.31 H new ATOM 0 HG3 LYS A 89 11.449 9.396 21.457 1.00 21.31 H new ATOM 0 HD2 LYS A 89 13.371 10.822 21.141 1.00 34.24 H new ATOM 0 HD3 LYS A 89 13.936 9.164 21.164 1.00 34.24 H new ATOM 0 HE2 LYS A 89 15.022 10.396 19.346 1.00 71.04 H new ATOM 0 HE3 LYS A 89 14.005 9.128 18.691 1.00 71.04 H new ATOM 0 HZ1 LYS A 89 13.855 11.406 17.625 1.00 12.33 H new ATOM 0 HZ2 LYS A 89 12.383 10.661 18.029 1.00 12.33 H new ATOM 0 HZ3 LYS A 89 13.004 11.902 19.008 1.00 12.33 H new ATOM 1439 N VAL A 90 9.570 6.744 22.498 1.00 4.30 N ATOM 1440 CA VAL A 90 9.502 6.550 23.941 1.00 0.25 C ATOM 1441 C VAL A 90 10.284 5.313 24.367 1.00 20.32 C ATOM 1442 O VAL A 90 10.588 5.132 25.546 1.00 23.15 O ATOM 1443 CB VAL A 90 8.045 6.413 24.421 1.00 53.31 C ATOM 1444 CG1 VAL A 90 7.422 5.135 23.880 1.00 24.03 C ATOM 1445 CG2 VAL A 90 7.979 6.447 25.940 1.00 31.04 C ATOM 0 H VAL A 90 8.673 6.666 22.019 1.00 4.30 H new ATOM 0 HA VAL A 90 9.947 7.433 24.400 1.00 0.25 H new ATOM 0 HB VAL A 90 7.473 7.258 24.037 1.00 53.31 H new ATOM 0 HG11 VAL A 90 6.393 5.056 24.230 1.00 24.03 H new ATOM 0 HG12 VAL A 90 7.434 5.157 22.790 1.00 24.03 H new ATOM 0 HG13 VAL A 90 7.992 4.275 24.232 1.00 24.03 H new ATOM 0 HG21 VAL A 90 6.942 6.349 26.261 1.00 31.04 H new ATOM 0 HG22 VAL A 90 8.565 5.623 26.348 1.00 31.04 H new ATOM 0 HG23 VAL A 90 8.383 7.393 26.301 1.00 31.04 H new