USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 590 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 79 THR OG1 : rot 180:sc= -0.437 USER MOD Set 1.2: A 87 GLN : amide:sc= -9.89! C(o=-10!,f=-24!) USER MOD Set 2.1: A 66 ASN : amide:sc= -11.3! C(o=-18!,f=-18!) USER MOD Set 2.2: A 73 GLN : amide:sc= -6.78! C(o=-18!,f=-21!) USER MOD Set 3.1: A 69 SER OG : rot -68:sc= 0.505 USER MOD Set 3.2: A 70 ASN : amide:sc= -0.627 K(o=-0.12,f=-3.7) USER MOD Set 4.1: A 31 THR OG1 : rot 152:sc= -7.75! USER MOD Set 4.2: A 39 GLN : amide:sc= -4.72! C(o=-12!,f=-15!) USER MOD Set 5.1: A 1 GLY N :NH3+ -153:sc= -22.4! (180deg=-14.4!) USER MOD Set 5.2: A 22 ASN : amide:sc= -5.12! C(o=-53!,f=-62!) USER MOD Set 5.3: A 23 ASN : amide:sc= -26! C(o=-53!,f=-65!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 33:sc= 0.908 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.0407 K(o=-0.041,f=-0.61) USER MOD Single : A 12 ASN : amide:sc= -3.61! C(o=-3.6!,f=-5.3!) USER MOD Single : A 13 ASN : amide:sc= -1.98 K(o=-2,f=-3.4) USER MOD Single : A 18 ASN : amide:sc= -5.15! C(o=-5.1!,f=-22!) USER MOD Single : A 21 SER OG : rot 39:sc= 0.844 USER MOD Single : A 24 LYS NZ :NH3+ -162:sc=-0.00428 (180deg=-0.175) USER MOD Single : A 25 GLN : amide:sc= -0.0241 X(o=-0.024,f=0) USER MOD Single : A 33 SER OG : rot 4:sc= 0.912 USER MOD Single : A 34 SER OG : rot -48:sc= 0.0425 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= -1.55 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -169:sc= -2.74! (180deg=-2.98!) USER MOD Single : A 53 THR OG1 : rot -156:sc= -5.27! USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0814) USER MOD Single : A 61 ASN : amide:sc= -1.6 X(o=-1.6,f=-1.9) USER MOD Single : A 71 SER OG : rot -61:sc= 0.218 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot -73:sc= 0.0241 USER MOD Single : A 82 SER OG : rot 33:sc= 0.762 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HE2:sc= -6.71! C(o=-6.7!,f=-7.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.186 -5.280 3.835 1.00 1.00 N ATOM 2 CA GLY A 1 6.669 -6.294 3.229 1.00 1.00 C ATOM 3 C GLY A 1 6.419 -7.385 4.258 1.00 1.00 C ATOM 4 O GLY A 1 7.392 -7.884 4.836 1.00 1.00 O ATOM 0 H1 GLY A 1 6.954 -4.410 3.315 1.00 1.00 H new ATOM 0 H2 GLY A 1 6.803 -5.220 4.800 1.00 1.00 H new ATOM 0 H3 GLY A 1 8.219 -5.392 3.879 1.00 1.00 H new ATOM 0 HA2 GLY A 1 5.736 -6.010 2.741 1.00 1.00 H new ATOM 0 HA3 GLY A 1 7.340 -6.654 2.449 1.00 1.00 H new ATOM 10 N SER A 2 5.118 -7.918 4.417 1.00 1.00 N ATOM 11 CA SER A 2 4.933 -9.075 5.266 1.00 1.00 C ATOM 12 C SER A 2 3.866 -9.836 4.667 1.00 1.00 C ATOM 13 O SER A 2 4.098 -10.914 4.098 1.00 1.00 O ATOM 14 CB SER A 2 4.668 -8.693 6.691 1.00 1.00 C ATOM 15 OG SER A 2 5.062 -9.739 7.565 1.00 1.00 O ATOM 0 H SER A 2 4.273 -7.553 3.977 1.00 1.00 H new ATOM 0 HA SER A 2 5.839 -9.679 5.325 1.00 1.00 H new ATOM 0 HB2 SER A 2 5.212 -7.781 6.937 1.00 1.00 H new ATOM 0 HB3 SER A 2 3.608 -8.478 6.825 1.00 1.00 H new ATOM 0 HG SER A 2 4.885 -9.475 8.492 1.00 1.00 H new ATOM 21 N GLY A 3 2.722 -9.382 4.797 1.00 1.00 N ATOM 22 CA GLY A 3 1.610 -10.063 4.262 1.00 1.00 C ATOM 23 C GLY A 3 0.522 -9.111 3.926 1.00 1.00 C ATOM 24 O GLY A 3 0.620 -7.924 4.203 1.00 1.00 O ATOM 0 H GLY A 3 2.499 -8.513 5.282 1.00 1.00 H new ATOM 0 HA2 GLY A 3 1.909 -10.611 3.369 1.00 1.00 H new ATOM 0 HA3 GLY A 3 1.247 -10.798 4.981 1.00 1.00 H new ATOM 28 N PRO A 4 -0.545 -9.604 3.350 1.00 1.00 N ATOM 29 CA PRO A 4 -1.707 -8.758 2.987 1.00 1.00 C ATOM 30 C PRO A 4 -2.163 -8.180 4.111 1.00 1.00 C ATOM 31 O PRO A 4 -3.050 -8.718 4.750 1.00 1.00 O ATOM 32 CB PRO A 4 -2.739 -9.737 2.404 1.00 1.00 C ATOM 33 CG PRO A 4 -2.250 -11.104 2.844 1.00 1.00 C ATOM 34 CD PRO A 4 -0.736 -10.979 3.010 1.00 1.00 C ATOM 0 HA PRO A 4 -1.476 -7.967 2.273 1.00 1.00 H new ATOM 0 HB2 PRO A 4 -3.740 -9.532 2.783 1.00 1.00 H new ATOM 0 HB3 PRO A 4 -2.788 -9.663 1.318 1.00 1.00 H new ATOM 0 HG2 PRO A 4 -2.721 -11.404 3.780 1.00 1.00 H new ATOM 0 HG3 PRO A 4 -2.500 -11.864 2.104 1.00 1.00 H new ATOM 0 HD2 PRO A 4 -0.363 -11.640 3.792 1.00 1.00 H new ATOM 0 HD3 PRO A 4 -0.209 -11.242 2.092 1.00 1.00 H new ATOM 42 N THR A 5 -1.629 -7.101 4.457 1.00 1.00 N ATOM 43 CA THR A 5 -1.996 -6.462 5.614 1.00 1.00 C ATOM 44 C THR A 5 -0.921 -5.659 6.136 1.00 1.00 C ATOM 45 O THR A 5 -1.181 -4.894 6.927 1.00 1.00 O ATOM 46 CB THR A 5 -2.348 -7.428 6.802 1.00 1.00 C ATOM 47 OG1 THR A 5 -2.141 -6.749 8.056 1.00 1.00 O ATOM 48 CG2 THR A 5 -1.467 -8.765 6.800 1.00 1.00 C ATOM 0 H THR A 5 -0.901 -6.626 3.923 1.00 1.00 H new ATOM 0 HA THR A 5 -2.869 -5.884 5.310 1.00 1.00 H new ATOM 0 HB THR A 5 -3.392 -7.714 6.674 1.00 1.00 H new ATOM 0 HG1 THR A 5 -2.345 -5.796 7.950 1.00 1.00 H new ATOM 0 HG21 THR A 5 -1.756 -9.392 7.644 1.00 1.00 H new ATOM 0 HG22 THR A 5 -1.633 -9.309 5.870 1.00 1.00 H new ATOM 0 HG23 THR A 5 -0.412 -8.506 6.885 1.00 1.00 H new ATOM 56 N TYR A 6 0.515 -6.026 5.847 1.00 1.00 N ATOM 57 CA TYR A 6 1.555 -5.326 6.598 1.00 1.00 C ATOM 58 C TYR A 6 1.309 -4.150 6.857 1.00 1.00 C ATOM 59 O TYR A 6 1.802 -3.591 7.868 1.00 1.00 O ATOM 60 CB TYR A 6 2.951 -5.380 6.132 1.00 1.00 C ATOM 61 CG TYR A 6 3.896 -4.981 7.556 1.00 1.00 C ATOM 62 CD1 TYR A 6 4.208 -5.984 8.500 1.00 1.00 C ATOM 63 CD2 TYR A 6 4.333 -3.637 7.844 1.00 1.00 C ATOM 64 CE1 TYR A 6 4.935 -5.678 9.656 1.00 1.00 C ATOM 65 CE2 TYR A 6 5.054 -3.366 9.006 1.00 1.00 C ATOM 66 CZ TYR A 6 5.357 -4.383 9.900 1.00 1.00 C ATOM 67 OH TYR A 6 6.075 -4.102 11.041 1.00 1.00 O ATOM 0 H TYR A 6 0.833 -6.722 5.172 1.00 1.00 H new ATOM 0 HA TYR A 6 1.503 -5.958 7.485 1.00 1.00 H new ATOM 0 HB2 TYR A 6 3.205 -6.369 5.749 1.00 1.00 H new ATOM 0 HB3 TYR A 6 3.129 -4.670 5.324 1.00 1.00 H new ATOM 0 HD1 TYR A 6 3.882 -6.999 8.328 1.00 1.00 H new ATOM 0 HD2 TYR A 6 4.101 -2.837 7.157 1.00 1.00 H new ATOM 0 HE1 TYR A 6 5.169 -6.459 10.364 1.00 1.00 H new ATOM 0 HE2 TYR A 6 5.379 -2.357 9.212 1.00 1.00 H new ATOM 0 HH TYR A 6 6.296 -3.147 11.062 1.00 1.00 H new ATOM 77 N CYS A 7 0.524 -3.592 6.079 1.00 1.00 N ATOM 78 CA CYS A 7 0.194 -2.377 6.314 1.00 1.00 C ATOM 79 C CYS A 7 1.271 -1.457 6.488 1.00 1.00 C ATOM 80 O CYS A 7 1.299 -0.704 7.473 1.00 1.00 O ATOM 81 CB CYS A 7 -0.640 -2.358 7.548 1.00 1.00 C ATOM 82 SG CYS A 7 -1.334 -0.646 7.845 1.00 1.00 S ATOM 0 H CYS A 7 0.106 -4.016 5.251 1.00 1.00 H new ATOM 0 HA CYS A 7 -0.332 -2.038 5.422 1.00 1.00 H new ATOM 0 HB2 CYS A 7 -1.455 -3.076 7.454 1.00 1.00 H new ATOM 0 HB3 CYS A 7 -0.040 -2.667 8.404 1.00 1.00 H new ATOM 87 N TRP A 8 2.123 -1.428 5.550 1.00 1.00 N ATOM 88 CA TRP A 8 3.171 -0.427 5.624 1.00 1.00 C ATOM 89 C TRP A 8 2.421 0.835 6.024 1.00 1.00 C ATOM 90 O TRP A 8 1.618 1.271 5.237 1.00 1.00 O ATOM 91 CB TRP A 8 3.792 -0.183 4.327 1.00 1.00 C ATOM 92 CG TRP A 8 5.066 0.820 4.546 1.00 1.00 C ATOM 93 CD1 TRP A 8 5.361 2.012 3.832 1.00 1.00 C ATOM 94 CD2 TRP A 8 6.172 0.725 5.584 1.00 1.00 C ATOM 95 NE1 TRP A 8 6.545 2.538 4.303 1.00 1.00 N ATOM 96 CE2 TRP A 8 7.067 1.809 5.393 1.00 1.00 C ATOM 97 CE3 TRP A 8 6.492 -0.209 6.660 1.00 1.00 C ATOM 98 CZ2 TRP A 8 8.199 1.974 6.209 1.00 1.00 C ATOM 99 CZ3 TRP A 8 7.625 -0.009 7.456 1.00 1.00 C ATOM 100 CH2 TRP A 8 8.465 1.070 7.234 1.00 1.00 C ATOM 0 H TRP A 8 2.144 -2.046 4.739 1.00 1.00 H new ATOM 0 HA TRP A 8 3.964 -0.735 6.305 1.00 1.00 H new ATOM 0 HB2 TRP A 8 4.120 -1.122 3.881 1.00 1.00 H new ATOM 0 HB3 TRP A 8 3.073 0.262 3.640 1.00 1.00 H new ATOM 0 HD1 TRP A 8 4.755 2.438 3.046 1.00 1.00 H new ATOM 0 HE1 TRP A 8 6.995 3.364 3.907 1.00 1.00 H new ATOM 0 HE3 TRP A 8 5.851 -1.059 6.842 1.00 1.00 H new ATOM 0 HZ2 TRP A 8 8.866 2.806 6.040 1.00 1.00 H new ATOM 0 HZ3 TRP A 8 7.847 -0.704 8.253 1.00 1.00 H new ATOM 0 HH2 TRP A 8 9.333 1.211 7.861 1.00 1.00 H new ATOM 111 N ASN A 9 2.524 1.348 7.266 1.00 1.00 N ATOM 112 CA ASN A 9 1.664 2.452 7.659 1.00 1.00 C ATOM 113 C ASN A 9 1.315 3.359 6.581 1.00 1.00 C ATOM 114 O ASN A 9 0.175 3.808 6.470 1.00 1.00 O ATOM 115 CB ASN A 9 2.285 3.233 8.831 1.00 1.00 C ATOM 116 CG ASN A 9 2.342 2.352 10.076 1.00 1.00 C ATOM 117 OD1 ASN A 9 1.376 1.655 10.390 1.00 1.00 O ATOM 118 ND2 ASN A 9 3.428 2.341 10.811 1.00 1.00 N ATOM 0 H ASN A 9 3.173 1.022 7.982 1.00 1.00 H new ATOM 0 HA ASN A 9 0.728 1.989 7.971 1.00 1.00 H new ATOM 0 HB2 ASN A 9 3.288 3.566 8.565 1.00 1.00 H new ATOM 0 HB3 ASN A 9 1.696 4.127 9.035 1.00 1.00 H new ATOM 0 HD21 ASN A 9 3.474 1.755 11.644 1.00 1.00 H new ATOM 0 HD22 ASN A 9 4.227 2.919 10.549 1.00 1.00 H new ATOM 125 N GLU A 10 2.212 3.647 5.842 1.00 1.00 N ATOM 126 CA GLU A 10 2.027 4.545 4.759 1.00 1.00 C ATOM 127 C GLU A 10 1.293 5.796 5.177 1.00 1.00 C ATOM 128 O GLU A 10 0.334 6.232 4.532 1.00 1.00 O ATOM 129 CB GLU A 10 1.303 3.941 3.536 1.00 1.00 C ATOM 130 CG GLU A 10 2.133 2.869 2.922 1.00 1.00 C ATOM 131 CD GLU A 10 1.250 1.822 2.201 1.00 1.00 C ATOM 132 OE1 GLU A 10 0.119 2.150 1.880 1.00 1.00 O ATOM 133 OE2 GLU A 10 1.725 0.720 1.985 1.00 1.00 O ATOM 0 H GLU A 10 3.160 3.280 5.927 1.00 1.00 H new ATOM 0 HA GLU A 10 3.045 4.786 4.453 1.00 1.00 H new ATOM 0 HB2 GLU A 10 0.338 3.534 3.840 1.00 1.00 H new ATOM 0 HB3 GLU A 10 1.103 4.721 2.801 1.00 1.00 H new ATOM 0 HG2 GLU A 10 2.833 3.309 2.212 1.00 1.00 H new ATOM 0 HG3 GLU A 10 2.727 2.379 3.693 1.00 1.00 H new ATOM 140 N ALA A 11 1.822 6.409 6.181 1.00 1.00 N ATOM 141 CA ALA A 11 1.375 7.575 6.598 1.00 1.00 C ATOM 142 C ALA A 11 2.408 8.108 7.479 1.00 1.00 C ATOM 143 O ALA A 11 2.688 7.539 8.527 1.00 1.00 O ATOM 144 CB ALA A 11 0.101 7.476 7.260 1.00 1.00 C ATOM 0 H ALA A 11 2.610 6.045 6.717 1.00 1.00 H new ATOM 0 HA ALA A 11 1.191 8.240 5.754 1.00 1.00 H new ATOM 0 HB1 ALA A 11 -0.219 8.467 7.583 1.00 1.00 H new ATOM 0 HB2 ALA A 11 -0.636 7.063 6.571 1.00 1.00 H new ATOM 0 HB3 ALA A 11 0.192 6.823 8.128 1.00 1.00 H new ATOM 150 N ASN A 12 2.911 9.148 7.103 1.00 1.00 N ATOM 151 CA ASN A 12 3.973 9.907 7.860 1.00 1.00 C ATOM 152 C ASN A 12 4.896 10.819 6.833 1.00 1.00 C ATOM 153 O ASN A 12 6.088 10.999 7.048 1.00 1.00 O ATOM 154 CB ASN A 12 4.847 8.908 8.693 1.00 1.00 C ATOM 155 CG ASN A 12 6.231 9.480 9.016 1.00 1.00 C ATOM 156 OD1 ASN A 12 7.233 8.783 8.894 1.00 1.00 O ATOM 157 ND2 ASN A 12 6.340 10.718 9.436 1.00 1.00 N ATOM 0 H ASN A 12 2.647 9.598 6.226 1.00 1.00 H new ATOM 0 HA ASN A 12 3.491 10.597 8.552 1.00 1.00 H new ATOM 0 HB2 ASN A 12 4.331 8.664 9.622 1.00 1.00 H new ATOM 0 HB3 ASN A 12 4.961 7.977 8.137 1.00 1.00 H new ATOM 0 HD21 ASN A 12 7.258 11.101 9.661 1.00 1.00 H new ATOM 0 HD22 ASN A 12 5.507 11.297 9.537 1.00 1.00 H new ATOM 164 N ASN A 13 4.235 11.478 5.797 1.00 1.00 N ATOM 165 CA ASN A 13 4.924 12.408 4.898 1.00 1.00 C ATOM 166 C ASN A 13 3.985 12.862 3.730 1.00 1.00 C ATOM 167 O ASN A 13 2.981 12.221 3.453 1.00 1.00 O ATOM 168 CB ASN A 13 6.189 11.781 4.299 1.00 1.00 C ATOM 169 CG ASN A 13 7.410 12.717 4.451 1.00 1.00 C ATOM 170 OD1 ASN A 13 8.096 13.009 3.472 1.00 1.00 O ATOM 171 ND2 ASN A 13 7.708 13.196 5.623 1.00 1.00 N ATOM 0 H ASN A 13 3.242 11.361 5.595 1.00 1.00 H new ATOM 0 HA ASN A 13 5.205 13.273 5.499 1.00 1.00 H new ATOM 0 HB2 ASN A 13 6.394 10.831 4.792 1.00 1.00 H new ATOM 0 HB3 ASN A 13 6.024 11.564 3.244 1.00 1.00 H new ATOM 0 HD21 ASN A 13 8.511 13.815 5.732 1.00 1.00 H new ATOM 0 HD22 ASN A 13 7.138 12.953 6.433 1.00 1.00 H new ATOM 178 N PRO A 14 4.355 13.956 3.028 1.00 1.00 N ATOM 179 CA PRO A 14 3.595 14.478 1.854 1.00 1.00 C ATOM 180 C PRO A 14 4.031 13.815 0.524 1.00 1.00 C ATOM 181 O PRO A 14 3.186 13.479 -0.306 1.00 1.00 O ATOM 182 CB PRO A 14 3.893 16.001 1.858 1.00 1.00 C ATOM 183 CG PRO A 14 4.894 16.187 2.979 1.00 1.00 C ATOM 184 CD PRO A 14 5.473 14.795 3.283 1.00 1.00 C ATOM 0 HA PRO A 14 2.530 14.257 1.930 1.00 1.00 H new ATOM 0 HB2 PRO A 14 4.302 16.328 0.902 1.00 1.00 H new ATOM 0 HB3 PRO A 14 2.988 16.582 2.033 1.00 1.00 H new ATOM 0 HG2 PRO A 14 5.683 16.879 2.684 1.00 1.00 H new ATOM 0 HG3 PRO A 14 4.414 16.609 3.862 1.00 1.00 H new ATOM 0 HD2 PRO A 14 6.320 14.555 2.640 1.00 1.00 H new ATOM 0 HD3 PRO A 14 5.821 14.712 4.313 1.00 1.00 H new ATOM 192 N GLY A 15 5.306 13.636 0.339 1.00 1.00 N ATOM 193 CA GLY A 15 5.844 12.983 -0.925 1.00 1.00 C ATOM 194 C GLY A 15 5.409 11.550 -0.972 1.00 1.00 C ATOM 195 O GLY A 15 6.141 10.666 -1.296 1.00 1.00 O ATOM 0 H GLY A 15 6.023 13.912 1.009 1.00 1.00 H new ATOM 0 HA2 GLY A 15 5.479 13.514 -1.805 1.00 1.00 H new ATOM 0 HA3 GLY A 15 6.932 13.045 -0.944 1.00 1.00 H new ATOM 199 N GLY A 16 4.232 11.356 -0.602 1.00 1.00 N ATOM 200 CA GLY A 16 3.662 10.058 -0.505 1.00 1.00 C ATOM 201 C GLY A 16 3.493 9.861 0.928 1.00 1.00 C ATOM 202 O GLY A 16 3.312 10.837 1.628 1.00 1.00 O ATOM 0 H GLY A 16 3.594 12.108 -0.343 1.00 1.00 H new ATOM 0 HA2 GLY A 16 2.710 9.998 -1.032 1.00 1.00 H new ATOM 0 HA3 GLY A 16 4.315 9.301 -0.939 1.00 1.00 H new ATOM 206 N PRO A 17 3.550 8.677 1.464 1.00 1.00 N ATOM 207 CA PRO A 17 3.396 8.505 2.937 1.00 1.00 C ATOM 208 C PRO A 17 4.665 8.766 3.556 1.00 1.00 C ATOM 209 O PRO A 17 5.443 9.500 3.000 1.00 1.00 O ATOM 210 CB PRO A 17 3.052 7.007 3.011 1.00 1.00 C ATOM 211 CG PRO A 17 2.850 6.568 1.626 1.00 1.00 C ATOM 212 CD PRO A 17 3.723 7.443 0.834 1.00 1.00 C ATOM 0 HA PRO A 17 2.666 9.152 3.423 1.00 1.00 H new ATOM 0 HB2 PRO A 17 3.857 6.445 3.485 1.00 1.00 H new ATOM 0 HB3 PRO A 17 2.154 6.842 3.607 1.00 1.00 H new ATOM 0 HG2 PRO A 17 3.118 5.519 1.499 1.00 1.00 H new ATOM 0 HG3 PRO A 17 1.807 6.670 1.325 1.00 1.00 H new ATOM 0 HD2 PRO A 17 4.762 7.114 0.860 1.00 1.00 H new ATOM 0 HD3 PRO A 17 3.425 7.475 -0.214 1.00 1.00 H new ATOM 220 N ASN A 18 4.968 8.052 4.773 1.00 1.00 N ATOM 221 CA ASN A 18 6.290 8.146 5.408 1.00 1.00 C ATOM 222 C ASN A 18 7.321 8.200 4.310 1.00 1.00 C ATOM 223 O ASN A 18 8.511 8.361 4.565 1.00 1.00 O ATOM 224 CB ASN A 18 6.561 6.833 6.303 1.00 1.00 C ATOM 225 CG ASN A 18 5.286 5.999 6.423 1.00 1.00 C ATOM 226 OD1 ASN A 18 4.206 6.538 6.489 1.00 1.00 O ATOM 227 ND2 ASN A 18 5.365 4.701 6.446 1.00 1.00 N ATOM 0 H ASN A 18 4.305 7.450 5.262 1.00 1.00 H new ATOM 0 HA ASN A 18 6.340 9.030 6.043 1.00 1.00 H new ATOM 0 HB2 ASN A 18 7.353 6.235 5.853 1.00 1.00 H new ATOM 0 HB3 ASN A 18 6.907 7.126 7.294 1.00 1.00 H new ATOM 0 HD21 ASN A 18 4.517 4.140 6.520 1.00 1.00 H new ATOM 0 HD22 ASN A 18 6.275 4.244 6.390 1.00 1.00 H new ATOM 234 N ARG A 19 6.778 7.976 3.040 1.00 1.00 N ATOM 235 CA ARG A 19 7.463 7.918 1.864 1.00 1.00 C ATOM 236 C ARG A 19 7.841 6.649 1.796 1.00 1.00 C ATOM 237 O ARG A 19 8.882 6.310 2.321 1.00 1.00 O ATOM 238 CB ARG A 19 8.605 8.968 1.788 1.00 1.00 C ATOM 239 CG ARG A 19 8.040 10.277 1.143 1.00 1.00 C ATOM 240 CD ARG A 19 8.531 10.342 -0.281 1.00 1.00 C ATOM 241 NE ARG A 19 9.979 10.643 -0.300 1.00 1.00 N ATOM 242 CZ ARG A 19 10.531 11.340 -1.299 1.00 1.00 C ATOM 243 NH1 ARG A 19 9.790 11.751 -2.291 1.00 1.00 N ATOM 244 NH2 ARG A 19 11.809 11.607 -1.281 1.00 1.00 N ATOM 0 H ARG A 19 5.777 7.834 2.908 1.00 1.00 H new ATOM 0 HA ARG A 19 6.871 8.191 0.991 1.00 1.00 H new ATOM 0 HB2 ARG A 19 8.995 9.175 2.785 1.00 1.00 H new ATOM 0 HB3 ARG A 19 9.434 8.582 1.195 1.00 1.00 H new ATOM 0 HG2 ARG A 19 6.950 10.276 1.171 1.00 1.00 H new ATOM 0 HG3 ARG A 19 8.373 11.152 1.702 1.00 1.00 H new ATOM 0 HD2 ARG A 19 8.341 9.394 -0.784 1.00 1.00 H new ATOM 0 HD3 ARG A 19 7.984 11.109 -0.829 1.00 1.00 H new ATOM 0 HE ARG A 19 10.568 10.312 0.464 1.00 1.00 H new ATOM 0 HH11 ARG A 19 8.792 11.541 -2.303 1.00 1.00 H new ATOM 0 HH12 ARG A 19 10.209 12.283 -3.054 1.00 1.00 H new ATOM 0 HH21 ARG A 19 12.387 11.284 -0.505 1.00 1.00 H new ATOM 0 HH22 ARG A 19 12.230 12.139 -2.043 1.00 1.00 H new ATOM 258 N CYS A 20 6.824 5.725 1.067 1.00 1.00 N ATOM 259 CA CYS A 20 7.029 4.221 0.893 1.00 1.00 C ATOM 260 C CYS A 20 8.462 4.147 1.394 1.00 1.00 C ATOM 261 O CYS A 20 9.330 4.834 0.841 1.00 1.00 O ATOM 262 CB CYS A 20 6.758 3.864 -0.649 1.00 1.00 C ATOM 263 SG CYS A 20 6.766 1.968 -1.134 1.00 1.00 S ATOM 0 H CYS A 20 5.954 6.068 0.659 1.00 1.00 H new ATOM 0 HA CYS A 20 6.388 3.507 1.410 1.00 1.00 H new ATOM 0 HB2 CYS A 20 5.791 4.282 -0.929 1.00 1.00 H new ATOM 0 HB3 CYS A 20 7.511 4.372 -1.252 1.00 1.00 H new ATOM 268 N SER A 21 8.701 3.463 2.415 1.00 1.00 N ATOM 269 CA SER A 21 10.088 3.506 3.047 1.00 1.00 C ATOM 270 C SER A 21 10.712 2.123 3.509 1.00 1.00 C ATOM 271 O SER A 21 11.773 2.111 4.130 1.00 1.00 O ATOM 272 CB SER A 21 9.931 4.467 4.264 1.00 1.00 C ATOM 273 OG SER A 21 10.728 4.012 5.350 1.00 1.00 O ATOM 0 H SER A 21 8.028 2.856 2.882 1.00 1.00 H new ATOM 0 HA SER A 21 10.799 3.833 2.289 1.00 1.00 H new ATOM 0 HB2 SER A 21 10.229 5.477 3.981 1.00 1.00 H new ATOM 0 HB3 SER A 21 8.885 4.517 4.566 1.00 1.00 H new ATOM 0 HG SER A 21 11.580 3.668 5.009 1.00 1.00 H new ATOM 279 N ASN A 22 10.079 1.007 3.186 1.00 1.00 N ATOM 280 CA ASN A 22 10.621 -0.303 3.558 1.00 1.00 C ATOM 281 C ASN A 22 10.082 -1.280 2.675 1.00 1.00 C ATOM 282 O ASN A 22 9.038 -1.086 2.146 1.00 1.00 O ATOM 283 CB ASN A 22 10.233 -0.633 5.000 1.00 1.00 C ATOM 284 CG ASN A 22 11.309 -1.461 5.713 1.00 1.00 C ATOM 285 OD1 ASN A 22 10.985 -2.296 6.562 1.00 1.00 O ATOM 286 ND2 ASN A 22 12.570 -1.264 5.437 1.00 1.00 N ATOM 0 H ASN A 22 9.198 0.974 2.673 1.00 1.00 H new ATOM 0 HA ASN A 22 11.708 -0.294 3.484 1.00 1.00 H new ATOM 0 HB2 ASN A 22 10.065 0.293 5.550 1.00 1.00 H new ATOM 0 HB3 ASN A 22 9.291 -1.182 5.005 1.00 1.00 H new ATOM 0 HD21 ASN A 22 13.288 -1.801 5.923 1.00 1.00 H new ATOM 0 HD22 ASN A 22 12.837 -0.574 4.735 1.00 1.00 H new ATOM 293 N ASN A 23 10.766 -2.411 2.512 1.00 1.00 N ATOM 294 CA ASN A 23 10.240 -3.385 1.673 1.00 1.00 C ATOM 295 C ASN A 23 9.886 -2.692 0.305 1.00 1.00 C ATOM 296 O ASN A 23 8.783 -2.201 0.112 1.00 1.00 O ATOM 297 CB ASN A 23 8.994 -4.014 2.400 1.00 1.00 C ATOM 298 CG ASN A 23 8.801 -3.421 3.804 1.00 1.00 C ATOM 299 OD1 ASN A 23 7.725 -3.028 4.180 1.00 1.00 O ATOM 300 ND2 ASN A 23 9.794 -3.365 4.569 1.00 1.00 N ATOM 0 H ASN A 23 11.658 -2.635 2.953 1.00 1.00 H new ATOM 0 HA ASN A 23 10.937 -4.195 1.458 1.00 1.00 H new ATOM 0 HB2 ASN A 23 8.098 -3.840 1.804 1.00 1.00 H new ATOM 0 HB3 ASN A 23 9.122 -5.094 2.475 1.00 1.00 H new ATOM 0 HD21 ASN A 23 9.692 -2.987 5.511 1.00 1.00 H new ATOM 0 HD22 ASN A 23 10.704 -3.698 4.249 1.00 1.00 H new ATOM 307 N LYS A 24 10.870 -2.578 -0.523 1.00 1.00 N ATOM 308 CA LYS A 24 10.724 -1.825 -1.810 1.00 1.00 C ATOM 309 C LYS A 24 9.977 -0.508 -1.503 1.00 1.00 C ATOM 310 O LYS A 24 9.323 0.063 -2.367 1.00 1.00 O ATOM 311 CB LYS A 24 9.970 -2.620 -2.892 1.00 1.00 C ATOM 312 CG LYS A 24 10.909 -3.512 -3.717 1.00 1.00 C ATOM 313 CD LYS A 24 10.056 -4.696 -4.315 1.00 1.00 C ATOM 314 CE LYS A 24 10.701 -5.261 -5.580 1.00 1.00 C ATOM 315 NZ LYS A 24 10.536 -4.290 -6.702 1.00 1.00 N ATOM 0 H LYS A 24 11.795 -2.979 -0.370 1.00 1.00 H new ATOM 0 HA LYS A 24 11.719 -1.636 -2.213 1.00 1.00 H new ATOM 0 HB2 LYS A 24 9.206 -3.238 -2.420 1.00 1.00 H new ATOM 0 HB3 LYS A 24 9.454 -1.927 -3.556 1.00 1.00 H new ATOM 0 HG2 LYS A 24 11.376 -2.937 -4.517 1.00 1.00 H new ATOM 0 HG3 LYS A 24 11.713 -3.900 -3.092 1.00 1.00 H new ATOM 0 HD2 LYS A 24 9.955 -5.486 -3.571 1.00 1.00 H new ATOM 0 HD3 LYS A 24 9.050 -4.343 -4.543 1.00 1.00 H new ATOM 0 HE2 LYS A 24 11.759 -5.454 -5.406 1.00 1.00 H new ATOM 0 HE3 LYS A 24 10.241 -6.215 -5.840 1.00 1.00 H new ATOM 0 HZ1 LYS A 24 10.689 -4.777 -7.608 1.00 1.00 H new ATOM 0 HZ2 LYS A 24 9.574 -3.894 -6.680 1.00 1.00 H new ATOM 0 HZ3 LYS A 24 11.229 -3.521 -6.601 1.00 1.00 H new ATOM 329 N GLN A 25 10.124 -0.085 -0.194 1.00 1.00 N ATOM 330 CA GLN A 25 9.542 1.116 0.362 1.00 1.00 C ATOM 331 C GLN A 25 8.158 0.922 0.856 1.00 1.00 C ATOM 332 O GLN A 25 7.658 1.754 1.499 1.00 1.00 O ATOM 333 CB GLN A 25 9.648 2.299 -0.651 1.00 1.00 C ATOM 334 CG GLN A 25 11.037 2.972 -0.547 1.00 1.00 C ATOM 335 CD GLN A 25 11.968 2.473 -1.664 1.00 1.00 C ATOM 336 OE1 GLN A 25 12.971 1.812 -1.391 1.00 1.00 O ATOM 337 NE2 GLN A 25 11.685 2.752 -2.902 1.00 1.00 N ATOM 0 H GLN A 25 10.671 -0.610 0.488 1.00 1.00 H new ATOM 0 HA GLN A 25 10.126 1.373 1.245 1.00 1.00 H new ATOM 0 HB2 GLN A 25 9.489 1.933 -1.665 1.00 1.00 H new ATOM 0 HB3 GLN A 25 8.866 3.031 -0.449 1.00 1.00 H new ATOM 0 HG2 GLN A 25 10.928 4.054 -0.614 1.00 1.00 H new ATOM 0 HG3 GLN A 25 11.479 2.756 0.425 1.00 1.00 H new ATOM 0 HE21 GLN A 25 10.854 3.300 -3.124 1.00 1.00 H new ATOM 0 HE22 GLN A 25 12.294 2.423 -3.651 1.00 1.00 H new ATOM 346 N CYS A 26 7.519 -0.160 0.574 1.00 1.00 N ATOM 347 CA CYS A 26 6.095 -0.313 1.099 1.00 1.00 C ATOM 348 C CYS A 26 6.030 -1.334 2.339 1.00 1.00 C ATOM 349 O CYS A 26 6.856 -1.243 3.199 1.00 1.00 O ATOM 350 CB CYS A 26 5.152 -0.586 -0.139 1.00 1.00 C ATOM 351 SG CYS A 26 4.868 1.130 -0.978 1.00 1.00 S ATOM 0 H CYS A 26 7.880 -0.939 0.023 1.00 1.00 H new ATOM 0 HA CYS A 26 5.713 0.599 1.558 1.00 1.00 H new ATOM 0 HB2 CYS A 26 5.613 -1.289 -0.833 1.00 1.00 H new ATOM 0 HB3 CYS A 26 4.207 -1.026 0.180 1.00 1.00 H new ATOM 356 N ASP A 27 5.075 -2.255 2.327 1.00 1.00 N ATOM 357 CA ASP A 27 4.856 -3.255 3.280 1.00 1.00 C ATOM 358 C ASP A 27 3.578 -3.819 2.992 1.00 1.00 C ATOM 359 O ASP A 27 2.645 -3.125 2.587 1.00 1.00 O ATOM 360 CB ASP A 27 5.038 -2.846 4.745 1.00 1.00 C ATOM 361 CG ASP A 27 5.711 -3.964 5.555 1.00 1.00 C ATOM 362 OD1 ASP A 27 5.385 -5.114 5.334 1.00 1.00 O ATOM 363 OD2 ASP A 27 6.548 -3.644 6.384 1.00 1.00 O ATOM 0 H ASP A 27 4.392 -2.296 1.571 1.00 1.00 H new ATOM 0 HA ASP A 27 5.645 -4.001 3.187 1.00 1.00 H new ATOM 0 HB2 ASP A 27 5.641 -1.940 4.800 1.00 1.00 H new ATOM 0 HB3 ASP A 27 4.068 -2.610 5.182 1.00 1.00 H new ATOM 368 N GLY A 28 3.526 -5.102 3.094 1.00 1.00 N ATOM 369 CA GLY A 28 2.412 -5.841 2.755 1.00 1.00 C ATOM 370 C GLY A 28 2.823 -7.197 2.016 1.00 1.00 C ATOM 371 O GLY A 28 2.099 -7.700 1.322 1.00 1.00 O ATOM 0 H GLY A 28 4.305 -5.667 3.433 1.00 1.00 H new ATOM 0 HA2 GLY A 28 1.838 -6.072 3.653 1.00 1.00 H new ATOM 0 HA3 GLY A 28 1.765 -5.251 2.106 1.00 1.00 H new ATOM 375 N ALA A 29 4.041 -7.709 2.298 1.00 1.00 N ATOM 376 CA ALA A 29 4.568 -8.977 1.744 1.00 1.00 C ATOM 377 C ALA A 29 5.917 -8.834 1.251 1.00 1.00 C ATOM 378 O ALA A 29 6.616 -9.836 1.106 1.00 1.00 O ATOM 379 CB ALA A 29 3.637 -9.614 0.637 1.00 1.00 C ATOM 0 H ALA A 29 4.697 -7.246 2.927 1.00 1.00 H new ATOM 0 HA ALA A 29 4.581 -9.672 2.584 1.00 1.00 H new ATOM 0 HB1 ALA A 29 4.083 -10.540 0.275 1.00 1.00 H new ATOM 0 HB2 ALA A 29 2.657 -9.826 1.064 1.00 1.00 H new ATOM 0 HB3 ALA A 29 3.528 -8.915 -0.193 1.00 1.00 H new ATOM 385 N ARG A 30 6.330 -7.604 0.858 1.00 1.00 N ATOM 386 CA ARG A 30 7.669 -7.481 0.242 1.00 1.00 C ATOM 387 C ARG A 30 8.759 -8.343 1.065 1.00 1.00 C ATOM 388 O ARG A 30 8.498 -8.922 2.119 1.00 1.00 O ATOM 389 CB ARG A 30 8.135 -5.938 -0.011 1.00 1.00 C ATOM 390 CG ARG A 30 7.485 -5.374 -1.210 1.00 1.00 C ATOM 391 CD ARG A 30 6.495 -4.108 -0.969 1.00 1.00 C ATOM 392 NE ARG A 30 7.127 -2.872 -1.446 1.00 1.00 N ATOM 393 CZ ARG A 30 6.855 -2.367 -2.712 1.00 1.00 C ATOM 394 NH1 ARG A 30 6.176 -3.080 -3.566 1.00 1.00 N ATOM 395 NH2 ARG A 30 7.290 -1.189 -3.053 1.00 1.00 N ATOM 0 H ARG A 30 5.797 -6.739 0.948 1.00 1.00 H new ATOM 0 HA ARG A 30 7.597 -7.908 -0.758 1.00 1.00 H new ATOM 0 HB2 ARG A 30 7.885 -5.332 0.860 1.00 1.00 H new ATOM 0 HB3 ARG A 30 9.218 -5.897 -0.128 1.00 1.00 H new ATOM 0 HG2 ARG A 30 8.264 -5.070 -1.909 1.00 1.00 H new ATOM 0 HG3 ARG A 30 6.914 -6.167 -1.694 1.00 1.00 H new ATOM 0 HD2 ARG A 30 5.553 -4.269 -1.493 1.00 1.00 H new ATOM 0 HD3 ARG A 30 6.259 -4.018 0.091 1.00 1.00 H new ATOM 0 HE ARG A 30 7.777 -2.375 -0.838 1.00 1.00 H new ATOM 0 HH11 ARG A 30 5.844 -4.009 -3.305 1.00 1.00 H new ATOM 0 HH12 ARG A 30 5.976 -2.709 -4.495 1.00 1.00 H new ATOM 0 HH21 ARG A 30 7.832 -0.634 -2.391 1.00 1.00 H new ATOM 0 HH22 ARG A 30 7.089 -0.821 -3.983 1.00 1.00 H new ATOM 409 N THR A 31 9.852 -8.434 0.453 1.00 1.00 N ATOM 410 CA THR A 31 10.944 -9.182 0.821 1.00 1.00 C ATOM 411 C THR A 31 12.169 -8.495 0.635 1.00 1.00 C ATOM 412 O THR A 31 12.298 -7.961 -0.266 1.00 1.00 O ATOM 413 CB THR A 31 10.926 -10.343 -0.277 1.00 1.00 C ATOM 414 OG1 THR A 31 11.293 -9.915 -1.525 1.00 1.00 O ATOM 415 CG2 THR A 31 9.512 -10.911 -0.338 1.00 1.00 C ATOM 0 H THR A 31 10.015 -7.926 -0.416 1.00 1.00 H new ATOM 0 HA THR A 31 10.888 -9.474 1.870 1.00 1.00 H new ATOM 0 HB THR A 31 11.657 -11.095 0.021 1.00 1.00 H new ATOM 0 HG1 THR A 31 11.694 -10.659 -2.021 1.00 1.00 H new ATOM 0 HG21 THR A 31 9.471 -11.707 -1.081 1.00 1.00 H new ATOM 0 HG22 THR A 31 9.238 -11.312 0.638 1.00 1.00 H new ATOM 0 HG23 THR A 31 8.814 -10.121 -0.614 1.00 1.00 H new ATOM 423 N CYS A 32 13.075 -8.463 1.517 1.00 1.00 N ATOM 424 CA CYS A 32 14.376 -7.617 1.176 1.00 1.00 C ATOM 425 C CYS A 32 15.286 -8.378 0.363 1.00 1.00 C ATOM 426 O CYS A 32 14.967 -9.434 -0.153 1.00 1.00 O ATOM 427 CB CYS A 32 15.091 -6.886 2.472 1.00 1.00 C ATOM 428 SG CYS A 32 16.468 -5.789 1.995 1.00 1.00 S ATOM 0 H CYS A 32 13.054 -8.926 2.425 1.00 1.00 H new ATOM 0 HA CYS A 32 14.037 -6.769 0.581 1.00 1.00 H new ATOM 0 HB2 CYS A 32 14.343 -6.308 3.015 1.00 1.00 H new ATOM 0 HB3 CYS A 32 15.461 -7.650 3.155 1.00 1.00 H new ATOM 433 N SER A 33 16.385 -7.876 0.285 1.00 1.00 N ATOM 434 CA SER A 33 17.485 -8.549 -0.516 1.00 1.00 C ATOM 435 C SER A 33 18.124 -9.525 0.283 1.00 1.00 C ATOM 436 O SER A 33 19.001 -10.271 -0.154 1.00 1.00 O ATOM 437 CB SER A 33 18.367 -7.627 -1.136 1.00 1.00 C ATOM 438 OG SER A 33 19.486 -8.321 -1.690 1.00 1.00 O ATOM 0 H SER A 33 16.653 -6.998 0.731 1.00 1.00 H new ATOM 0 HA SER A 33 17.035 -9.069 -1.362 1.00 1.00 H new ATOM 0 HB2 SER A 33 17.843 -7.080 -1.920 1.00 1.00 H new ATOM 0 HB3 SER A 33 18.709 -6.891 -0.408 1.00 1.00 H new ATOM 0 HG SER A 33 19.365 -9.286 -1.569 1.00 1.00 H new ATOM 444 N SER A 34 17.617 -9.630 1.357 1.00 1.00 N ATOM 445 CA SER A 34 17.884 -10.551 2.298 1.00 1.00 C ATOM 446 C SER A 34 16.433 -11.241 2.621 1.00 1.00 C ATOM 447 O SER A 34 16.301 -11.965 3.606 1.00 1.00 O ATOM 448 CB SER A 34 18.408 -9.869 3.500 1.00 1.00 C ATOM 449 OG SER A 34 18.990 -10.827 4.379 1.00 1.00 O ATOM 0 H SER A 34 16.891 -8.981 1.661 1.00 1.00 H new ATOM 0 HA SER A 34 18.624 -11.287 1.984 1.00 1.00 H new ATOM 0 HB2 SER A 34 19.151 -9.125 3.213 1.00 1.00 H new ATOM 0 HB3 SER A 34 17.604 -9.336 4.008 1.00 1.00 H new ATOM 0 HG SER A 34 18.374 -11.581 4.495 1.00 1.00 H new ATOM 455 N SER A 35 15.305 -10.961 1.666 1.00 1.00 N ATOM 456 CA SER A 35 14.046 -11.480 1.801 1.00 1.00 C ATOM 457 C SER A 35 13.396 -10.908 2.935 1.00 1.00 C ATOM 458 O SER A 35 12.219 -11.150 3.200 1.00 1.00 O ATOM 459 CB SER A 35 14.077 -12.924 1.918 1.00 1.00 C ATOM 460 OG SER A 35 14.878 -13.472 0.875 1.00 1.00 O ATOM 0 H SER A 35 15.409 -10.360 0.849 1.00 1.00 H new ATOM 0 HA SER A 35 13.484 -11.230 0.902 1.00 1.00 H new ATOM 0 HB2 SER A 35 14.480 -13.211 2.889 1.00 1.00 H new ATOM 0 HB3 SER A 35 13.065 -13.325 1.862 1.00 1.00 H new ATOM 0 HG SER A 35 14.899 -14.448 0.957 1.00 1.00 H new ATOM 466 N GLY A 36 14.151 -10.134 3.636 1.00 1.00 N ATOM 467 CA GLY A 36 13.659 -9.502 4.774 1.00 1.00 C ATOM 468 C GLY A 36 12.432 -8.797 4.405 1.00 1.00 C ATOM 469 O GLY A 36 11.327 -9.249 4.712 1.00 1.00 O ATOM 0 H GLY A 36 15.127 -9.932 3.421 1.00 1.00 H new ATOM 0 HA2 GLY A 36 13.458 -10.232 5.558 1.00 1.00 H new ATOM 0 HA3 GLY A 36 14.396 -8.803 5.170 1.00 1.00 H new ATOM 473 N PHE A 37 12.589 -7.697 3.744 1.00 1.00 N ATOM 474 CA PHE A 37 11.558 -6.967 3.356 1.00 1.00 C ATOM 475 C PHE A 37 12.075 -5.760 2.643 1.00 1.00 C ATOM 476 O PHE A 37 12.119 -4.723 3.241 1.00 1.00 O ATOM 477 CB PHE A 37 10.700 -6.516 4.633 1.00 1.00 C ATOM 478 CG PHE A 37 11.610 -6.147 5.863 1.00 1.00 C ATOM 479 CD1 PHE A 37 12.137 -4.804 6.034 1.00 1.00 C ATOM 480 CD2 PHE A 37 11.899 -7.120 6.833 1.00 1.00 C ATOM 481 CE1 PHE A 37 12.923 -4.504 7.149 1.00 1.00 C ATOM 482 CE2 PHE A 37 12.692 -6.792 7.949 1.00 1.00 C ATOM 483 CZ PHE A 37 13.201 -5.491 8.102 1.00 1.00 C ATOM 0 H PHE A 37 13.498 -7.318 3.478 1.00 1.00 H new ATOM 0 HA PHE A 37 10.918 -7.548 2.692 1.00 1.00 H new ATOM 0 HB2 PHE A 37 10.084 -5.657 4.369 1.00 1.00 H new ATOM 0 HB3 PHE A 37 10.021 -7.321 4.915 1.00 1.00 H new ATOM 0 HD1 PHE A 37 11.922 -4.040 5.301 1.00 1.00 H new ATOM 0 HD2 PHE A 37 11.512 -8.122 6.723 1.00 1.00 H new ATOM 0 HE1 PHE A 37 13.318 -3.507 7.276 1.00 1.00 H new ATOM 0 HE2 PHE A 37 12.911 -7.545 8.692 1.00 1.00 H new ATOM 0 HZ PHE A 37 13.811 -5.251 8.961 1.00 1.00 H new ATOM 493 N CYS A 38 12.525 -5.832 1.236 1.00 1.00 N ATOM 494 CA CYS A 38 13.009 -4.657 0.516 1.00 1.00 C ATOM 495 C CYS A 38 13.133 -4.951 -0.913 1.00 1.00 C ATOM 496 O CYS A 38 13.801 -4.266 -1.683 1.00 1.00 O ATOM 497 CB CYS A 38 14.298 -4.061 1.109 1.00 1.00 C ATOM 498 SG CYS A 38 15.745 -4.855 0.432 1.00 1.00 S ATOM 0 H CYS A 38 12.527 -6.691 0.685 1.00 1.00 H new ATOM 0 HA CYS A 38 12.261 -3.874 0.640 1.00 1.00 H new ATOM 0 HB2 CYS A 38 14.336 -2.991 0.902 1.00 1.00 H new ATOM 0 HB3 CYS A 38 14.290 -4.176 2.193 1.00 1.00 H new ATOM 503 N GLN A 39 12.517 -6.000 -1.222 1.00 1.00 N ATOM 504 CA GLN A 39 12.472 -6.586 -2.499 1.00 1.00 C ATOM 505 C GLN A 39 11.269 -7.503 -2.548 1.00 1.00 C ATOM 506 O GLN A 39 10.861 -7.958 -1.598 1.00 1.00 O ATOM 507 CB GLN A 39 13.857 -7.338 -2.692 1.00 1.00 C ATOM 508 CG GLN A 39 13.779 -8.835 -2.502 1.00 1.00 C ATOM 509 CD GLN A 39 13.027 -9.488 -3.667 1.00 1.00 C ATOM 510 OE1 GLN A 39 12.425 -10.545 -3.499 1.00 1.00 O ATOM 511 NE2 GLN A 39 13.032 -8.919 -4.845 1.00 1.00 N ATOM 0 H GLN A 39 11.979 -6.528 -0.535 1.00 1.00 H new ATOM 0 HA GLN A 39 12.354 -5.871 -3.313 1.00 1.00 H new ATOM 0 HB2 GLN A 39 14.235 -7.129 -3.693 1.00 1.00 H new ATOM 0 HB3 GLN A 39 14.581 -6.930 -1.986 1.00 1.00 H new ATOM 0 HG2 GLN A 39 14.784 -9.251 -2.432 1.00 1.00 H new ATOM 0 HG3 GLN A 39 13.274 -9.062 -1.563 1.00 1.00 H new ATOM 0 HE21 GLN A 39 13.532 -8.041 -4.985 1.00 1.00 H new ATOM 0 HE22 GLN A 39 12.536 -9.353 -5.623 1.00 1.00 H new ATOM 520 N GLY A 40 10.665 -7.682 -3.690 1.00 1.00 N ATOM 521 CA GLY A 40 9.453 -8.567 -3.757 1.00 1.00 C ATOM 522 C GLY A 40 8.126 -7.874 -4.127 1.00 1.00 C ATOM 523 O GLY A 40 7.951 -7.396 -5.250 1.00 1.00 O ATOM 0 H GLY A 40 10.949 -7.262 -4.575 1.00 1.00 H new ATOM 0 HA2 GLY A 40 9.643 -9.355 -4.486 1.00 1.00 H new ATOM 0 HA3 GLY A 40 9.328 -9.052 -2.789 1.00 1.00 H new ATOM 527 N THR A 41 7.131 -7.917 -3.158 1.00 1.00 N ATOM 528 CA THR A 41 5.752 -7.367 -3.435 1.00 1.00 C ATOM 529 C THR A 41 4.960 -6.818 -2.122 1.00 1.00 C ATOM 530 O THR A 41 5.019 -7.420 -1.079 1.00 1.00 O ATOM 531 CB THR A 41 4.945 -8.560 -4.079 1.00 1.00 C ATOM 532 OG1 THR A 41 4.299 -8.116 -5.258 1.00 1.00 O ATOM 533 CG2 THR A 41 3.918 -9.112 -3.129 1.00 1.00 C ATOM 0 H THR A 41 7.255 -8.308 -2.224 1.00 1.00 H new ATOM 0 HA THR A 41 5.846 -6.495 -4.082 1.00 1.00 H new ATOM 0 HB THR A 41 5.654 -9.354 -4.313 1.00 1.00 H new ATOM 0 HG1 THR A 41 3.800 -8.859 -5.657 1.00 1.00 H new ATOM 0 HG21 THR A 41 3.383 -9.932 -3.608 1.00 1.00 H new ATOM 0 HG22 THR A 41 4.414 -9.479 -2.230 1.00 1.00 H new ATOM 0 HG23 THR A 41 3.212 -8.326 -2.859 1.00 1.00 H new ATOM 541 N SER A 42 4.226 -5.748 -2.270 1.00 1.00 N ATOM 542 CA SER A 42 3.410 -5.209 -1.141 1.00 1.00 C ATOM 543 C SER A 42 2.090 -5.740 -1.293 1.00 1.00 C ATOM 544 O SER A 42 1.196 -5.037 -1.771 1.00 1.00 O ATOM 545 CB SER A 42 3.351 -3.594 -1.147 1.00 1.00 C ATOM 546 OG SER A 42 3.830 -3.106 -2.402 1.00 1.00 O ATOM 0 H SER A 42 4.156 -5.216 -3.138 1.00 1.00 H new ATOM 0 HA SER A 42 3.862 -5.502 -0.193 1.00 1.00 H new ATOM 0 HB2 SER A 42 2.328 -3.256 -0.979 1.00 1.00 H new ATOM 0 HB3 SER A 42 3.957 -3.194 -0.334 1.00 1.00 H new ATOM 0 HG SER A 42 3.793 -2.127 -2.408 1.00 1.00 H new ATOM 552 N ARG A 43 1.873 -7.025 -0.932 1.00 1.00 N ATOM 553 CA ARG A 43 0.558 -7.661 -1.085 1.00 1.00 C ATOM 554 C ARG A 43 -0.199 -7.158 -2.149 1.00 1.00 C ATOM 555 O ARG A 43 -1.219 -6.530 -1.926 1.00 1.00 O ATOM 556 CB ARG A 43 -0.257 -7.652 0.218 1.00 1.00 C ATOM 557 CG ARG A 43 -0.294 -6.167 0.909 1.00 1.00 C ATOM 558 CD ARG A 43 -1.643 -5.397 0.430 1.00 1.00 C ATOM 559 NE ARG A 43 -2.127 -4.545 1.499 1.00 1.00 N ATOM 560 CZ ARG A 43 -1.423 -3.488 1.905 1.00 1.00 C ATOM 561 NH1 ARG A 43 -0.274 -3.204 1.335 1.00 1.00 N ATOM 562 NH2 ARG A 43 -1.871 -2.740 2.867 1.00 1.00 N ATOM 0 H ARG A 43 2.590 -7.633 -0.536 1.00 1.00 H new ATOM 0 HA ARG A 43 0.786 -8.697 -1.334 1.00 1.00 H new ATOM 0 HB2 ARG A 43 -1.275 -7.981 0.011 1.00 1.00 H new ATOM 0 HB3 ARG A 43 0.173 -8.367 0.919 1.00 1.00 H new ATOM 0 HG2 ARG A 43 -0.276 -6.256 1.995 1.00 1.00 H new ATOM 0 HG3 ARG A 43 0.589 -5.595 0.622 1.00 1.00 H new ATOM 0 HD2 ARG A 43 -1.436 -4.800 -0.458 1.00 1.00 H new ATOM 0 HD3 ARG A 43 -2.409 -6.122 0.155 1.00 1.00 H new ATOM 0 HE ARG A 43 -3.019 -4.757 1.947 1.00 1.00 H new ATOM 0 HH11 ARG A 43 0.080 -3.792 0.581 1.00 1.00 H new ATOM 0 HH12 ARG A 43 0.264 -2.395 1.646 1.00 1.00 H new ATOM 0 HH21 ARG A 43 -2.762 -2.961 3.312 1.00 1.00 H new ATOM 0 HH22 ARG A 43 -1.332 -1.931 3.177 1.00 1.00 H new ATOM 576 N LYS A 44 0.230 -7.530 -3.431 1.00 1.00 N ATOM 577 CA LYS A 44 -0.542 -7.168 -4.592 1.00 1.00 C ATOM 578 C LYS A 44 -1.864 -7.297 -4.222 1.00 1.00 C ATOM 579 O LYS A 44 -2.327 -8.381 -4.165 1.00 1.00 O ATOM 580 CB LYS A 44 -0.262 -8.103 -5.749 1.00 1.00 C ATOM 581 CG LYS A 44 -1.143 -7.679 -6.948 1.00 1.00 C ATOM 582 CD LYS A 44 -0.704 -8.467 -8.195 1.00 1.00 C ATOM 583 CE LYS A 44 -1.546 -8.054 -9.398 1.00 1.00 C ATOM 584 NZ LYS A 44 -1.386 -9.065 -10.480 1.00 1.00 N ATOM 0 H LYS A 44 1.080 -8.059 -3.626 1.00 1.00 H new ATOM 0 HA LYS A 44 -0.292 -6.158 -4.917 1.00 1.00 H new ATOM 0 HB2 LYS A 44 0.793 -8.063 -6.021 1.00 1.00 H new ATOM 0 HB3 LYS A 44 -0.479 -9.133 -5.465 1.00 1.00 H new ATOM 0 HG2 LYS A 44 -2.193 -7.873 -6.731 1.00 1.00 H new ATOM 0 HG3 LYS A 44 -1.047 -6.608 -7.126 1.00 1.00 H new ATOM 0 HD2 LYS A 44 0.351 -8.283 -8.399 1.00 1.00 H new ATOM 0 HD3 LYS A 44 -0.812 -9.537 -8.016 1.00 1.00 H new ATOM 0 HE2 LYS A 44 -2.595 -7.973 -9.112 1.00 1.00 H new ATOM 0 HE3 LYS A 44 -1.236 -7.071 -9.754 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 -1.959 -8.787 -11.302 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 -0.385 -9.121 -10.758 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 -1.702 -9.994 -10.136 1.00 1.00 H new ATOM 598 N PRO A 45 -2.574 -6.186 -3.872 1.00 1.00 N ATOM 599 CA PRO A 45 -3.941 -6.301 -3.471 1.00 1.00 C ATOM 600 C PRO A 45 -4.613 -6.937 -4.626 1.00 1.00 C ATOM 601 O PRO A 45 -5.352 -6.322 -5.393 1.00 1.00 O ATOM 602 CB PRO A 45 -4.392 -4.875 -3.185 1.00 1.00 C ATOM 603 CG PRO A 45 -3.137 -4.088 -3.086 1.00 1.00 C ATOM 604 CD PRO A 45 -2.107 -4.827 -3.854 1.00 1.00 C ATOM 0 HA PRO A 45 -4.151 -6.898 -2.583 1.00 1.00 H new ATOM 0 HB2 PRO A 45 -5.033 -4.497 -3.981 1.00 1.00 H new ATOM 0 HB3 PRO A 45 -4.966 -4.821 -2.260 1.00 1.00 H new ATOM 0 HG2 PRO A 45 -3.276 -3.086 -3.491 1.00 1.00 H new ATOM 0 HG3 PRO A 45 -2.834 -3.972 -2.045 1.00 1.00 H new ATOM 0 HD2 PRO A 45 -2.004 -4.430 -4.864 1.00 1.00 H new ATOM 0 HD3 PRO A 45 -1.128 -4.750 -3.380 1.00 1.00 H new ATOM 612 N ASP A 46 -4.195 -8.174 -4.813 1.00 1.00 N ATOM 613 CA ASP A 46 -4.579 -8.939 -5.954 1.00 1.00 C ATOM 614 C ASP A 46 -5.993 -9.548 -5.785 1.00 1.00 C ATOM 615 O ASP A 46 -6.519 -9.587 -4.674 1.00 1.00 O ATOM 616 CB ASP A 46 -3.482 -10.122 -6.318 1.00 1.00 C ATOM 617 CG ASP A 46 -4.060 -11.549 -6.110 1.00 1.00 C ATOM 618 OD1 ASP A 46 -4.379 -11.875 -5.002 1.00 1.00 O ATOM 619 OD2 ASP A 46 -4.145 -12.281 -7.084 1.00 1.00 O ATOM 0 H ASP A 46 -3.578 -8.667 -4.168 1.00 1.00 H new ATOM 0 HA ASP A 46 -4.603 -8.243 -6.792 1.00 1.00 H new ATOM 0 HB2 ASP A 46 -3.161 -10.010 -7.354 1.00 1.00 H new ATOM 0 HB3 ASP A 46 -2.597 -9.997 -5.695 1.00 1.00 H new ATOM 624 N PRO A 47 -6.608 -10.055 -6.870 1.00 1.00 N ATOM 625 CA PRO A 47 -7.961 -10.693 -6.785 1.00 1.00 C ATOM 626 C PRO A 47 -7.926 -12.016 -5.939 1.00 1.00 C ATOM 627 O PRO A 47 -8.371 -13.069 -6.396 1.00 1.00 O ATOM 628 CB PRO A 47 -8.345 -10.975 -8.282 1.00 1.00 C ATOM 629 CG PRO A 47 -7.358 -10.182 -9.111 1.00 1.00 C ATOM 630 CD PRO A 47 -6.092 -10.065 -8.270 1.00 1.00 C ATOM 0 HA PRO A 47 -8.689 -10.056 -6.282 1.00 1.00 H new ATOM 0 HB2 PRO A 47 -8.282 -12.039 -8.509 1.00 1.00 H new ATOM 0 HB3 PRO A 47 -9.369 -10.665 -8.489 1.00 1.00 H new ATOM 0 HG2 PRO A 47 -7.152 -10.684 -10.056 1.00 1.00 H new ATOM 0 HG3 PRO A 47 -7.757 -9.197 -9.353 1.00 1.00 H new ATOM 0 HD2 PRO A 47 -5.416 -10.902 -8.443 1.00 1.00 H new ATOM 0 HD3 PRO A 47 -5.539 -9.155 -8.501 1.00 1.00 H new ATOM 638 N GLY A 48 -7.409 -11.913 -4.691 1.00 1.00 N ATOM 639 CA GLY A 48 -7.333 -13.070 -3.765 1.00 1.00 C ATOM 640 C GLY A 48 -7.796 -12.593 -2.447 1.00 1.00 C ATOM 641 O GLY A 48 -8.937 -12.836 -2.056 1.00 1.00 O ATOM 0 H GLY A 48 -7.040 -11.045 -4.303 1.00 1.00 H new ATOM 0 HA2 GLY A 48 -7.956 -13.891 -4.120 1.00 1.00 H new ATOM 0 HA3 GLY A 48 -6.313 -13.449 -3.702 1.00 1.00 H new ATOM 645 N PRO A 49 -6.973 -11.806 -1.768 1.00 1.00 N ATOM 646 CA PRO A 49 -7.366 -11.198 -0.540 1.00 1.00 C ATOM 647 C PRO A 49 -8.673 -10.497 -0.769 1.00 1.00 C ATOM 648 O PRO A 49 -9.727 -11.013 -0.397 1.00 1.00 O ATOM 649 CB PRO A 49 -6.199 -10.179 -0.195 1.00 1.00 C ATOM 650 CG PRO A 49 -5.262 -10.208 -1.359 1.00 1.00 C ATOM 651 CD PRO A 49 -5.605 -11.459 -2.156 1.00 1.00 C ATOM 0 HA PRO A 49 -7.510 -11.901 0.280 1.00 1.00 H new ATOM 0 HB2 PRO A 49 -6.593 -9.175 -0.037 1.00 1.00 H new ATOM 0 HB3 PRO A 49 -5.688 -10.469 0.723 1.00 1.00 H new ATOM 0 HG2 PRO A 49 -5.376 -9.314 -1.972 1.00 1.00 H new ATOM 0 HG3 PRO A 49 -4.226 -10.234 -1.023 1.00 1.00 H new ATOM 0 HD2 PRO A 49 -5.536 -11.273 -3.228 1.00 1.00 H new ATOM 0 HD3 PRO A 49 -4.914 -12.271 -1.929 1.00 1.00 H new ATOM 659 N LYS A 50 -8.600 -9.317 -1.389 1.00 1.00 N ATOM 660 CA LYS A 50 -9.775 -8.478 -1.696 1.00 1.00 C ATOM 661 C LYS A 50 -10.337 -7.892 -0.450 1.00 1.00 C ATOM 662 O LYS A 50 -11.547 -7.911 -0.263 1.00 1.00 O ATOM 663 CB LYS A 50 -10.918 -9.424 -2.421 1.00 1.00 C ATOM 664 CG LYS A 50 -11.066 -9.028 -4.014 1.00 1.00 C ATOM 665 CD LYS A 50 -12.022 -7.729 -4.211 1.00 1.00 C ATOM 666 CE LYS A 50 -11.351 -6.425 -3.618 1.00 1.00 C ATOM 667 NZ LYS A 50 -9.953 -6.291 -4.141 1.00 1.00 N ATOM 0 H LYS A 50 -7.718 -8.908 -1.698 1.00 1.00 H new ATOM 0 HA LYS A 50 -9.477 -7.664 -2.357 1.00 1.00 H new ATOM 0 HB2 LYS A 50 -10.644 -10.475 -2.325 1.00 1.00 H new ATOM 0 HB3 LYS A 50 -11.877 -9.297 -1.918 1.00 1.00 H new ATOM 0 HG2 LYS A 50 -10.081 -8.825 -4.434 1.00 1.00 H new ATOM 0 HG3 LYS A 50 -11.479 -9.873 -4.565 1.00 1.00 H new ATOM 0 HD2 LYS A 50 -12.228 -7.584 -5.272 1.00 1.00 H new ATOM 0 HD3 LYS A 50 -12.980 -7.902 -3.721 1.00 1.00 H new ATOM 0 HE2 LYS A 50 -11.937 -5.547 -3.891 1.00 1.00 H new ATOM 0 HE3 LYS A 50 -11.339 -6.474 -2.529 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 -9.454 -5.547 -3.613 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 -9.451 -7.194 -4.024 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 -9.982 -6.039 -5.150 1.00 1.00 H new ATOM 681 N GLY A 51 -9.492 -7.425 0.497 1.00 1.00 N ATOM 682 CA GLY A 51 -9.944 -6.992 1.624 1.00 1.00 C ATOM 683 C GLY A 51 -8.942 -7.352 2.555 1.00 1.00 C ATOM 684 O GLY A 51 -8.264 -6.560 2.962 1.00 1.00 O ATOM 0 H GLY A 51 -8.478 -7.382 0.396 1.00 1.00 H new ATOM 0 HA2 GLY A 51 -10.101 -5.914 1.603 1.00 1.00 H new ATOM 0 HA3 GLY A 51 -10.902 -7.449 1.872 1.00 1.00 H new ATOM 688 N PRO A 52 -8.815 -8.639 2.871 1.00 1.00 N ATOM 689 CA PRO A 52 -7.755 -9.183 3.799 1.00 1.00 C ATOM 690 C PRO A 52 -6.376 -8.436 3.715 1.00 1.00 C ATOM 691 O PRO A 52 -5.412 -8.931 4.121 1.00 1.00 O ATOM 692 CB PRO A 52 -7.608 -10.611 3.336 1.00 1.00 C ATOM 693 CG PRO A 52 -8.987 -11.010 2.872 1.00 1.00 C ATOM 694 CD PRO A 52 -9.681 -9.705 2.392 1.00 1.00 C ATOM 0 HA PRO A 52 -8.048 -9.064 4.842 1.00 1.00 H new ATOM 0 HB2 PRO A 52 -6.880 -10.692 2.529 1.00 1.00 H new ATOM 0 HB3 PRO A 52 -7.261 -11.255 4.144 1.00 1.00 H new ATOM 0 HG2 PRO A 52 -8.929 -11.739 2.064 1.00 1.00 H new ATOM 0 HG3 PRO A 52 -9.550 -11.475 3.681 1.00 1.00 H new ATOM 0 HD2 PRO A 52 -9.777 -9.682 1.306 1.00 1.00 H new ATOM 0 HD3 PRO A 52 -10.687 -9.615 2.803 1.00 1.00 H new ATOM 702 N THR A 53 -6.382 -7.240 3.251 1.00 1.00 N ATOM 703 CA THR A 53 -5.198 -6.405 3.206 1.00 1.00 C ATOM 704 C THR A 53 -5.703 -5.075 3.477 1.00 1.00 C ATOM 705 O THR A 53 -6.887 -4.854 3.312 1.00 1.00 O ATOM 706 CB THR A 53 -4.402 -6.470 1.902 1.00 1.00 C ATOM 707 OG1 THR A 53 -4.405 -5.212 1.270 1.00 1.00 O ATOM 708 CG2 THR A 53 -4.976 -7.521 0.950 1.00 1.00 C ATOM 0 H THR A 53 -7.218 -6.788 2.880 1.00 1.00 H new ATOM 0 HA THR A 53 -4.460 -6.748 3.932 1.00 1.00 H new ATOM 0 HB THR A 53 -3.379 -6.754 2.151 1.00 1.00 H new ATOM 0 HG1 THR A 53 -4.248 -5.328 0.310 1.00 1.00 H new ATOM 0 HG21 THR A 53 -4.387 -7.541 0.033 1.00 1.00 H new ATOM 0 HG22 THR A 53 -4.941 -8.501 1.426 1.00 1.00 H new ATOM 0 HG23 THR A 53 -6.010 -7.270 0.712 1.00 1.00 H new ATOM 716 N TYR A 54 -4.945 -4.218 3.877 1.00 1.00 N ATOM 717 CA TYR A 54 -5.482 -2.865 4.229 1.00 1.00 C ATOM 718 C TYR A 54 -4.529 -2.075 5.069 1.00 1.00 C ATOM 719 O TYR A 54 -3.997 -2.586 6.042 1.00 1.00 O ATOM 720 CB TYR A 54 -6.846 -3.065 5.073 1.00 1.00 C ATOM 721 CG TYR A 54 -6.981 -2.061 6.310 1.00 1.00 C ATOM 722 CD1 TYR A 54 -6.232 -2.270 7.494 1.00 1.00 C ATOM 723 CD2 TYR A 54 -7.859 -0.964 6.242 1.00 1.00 C ATOM 724 CE1 TYR A 54 -6.370 -1.391 8.572 1.00 1.00 C ATOM 725 CE2 TYR A 54 -7.983 -0.096 7.327 1.00 1.00 C ATOM 726 CZ TYR A 54 -7.240 -0.309 8.487 1.00 1.00 C ATOM 727 OH TYR A 54 -7.371 0.554 9.556 1.00 1.00 O ATOM 0 H TYR A 54 -3.939 -4.336 4.001 1.00 1.00 H new ATOM 0 HA TYR A 54 -5.648 -2.319 3.300 1.00 1.00 H new ATOM 0 HB2 TYR A 54 -7.699 -2.928 4.408 1.00 1.00 H new ATOM 0 HB3 TYR A 54 -6.890 -4.090 5.440 1.00 1.00 H new ATOM 0 HD1 TYR A 54 -5.555 -3.108 7.564 1.00 1.00 H new ATOM 0 HD2 TYR A 54 -8.439 -0.793 5.347 1.00 1.00 H new ATOM 0 HE1 TYR A 54 -5.799 -1.553 9.474 1.00 1.00 H new ATOM 0 HE2 TYR A 54 -8.658 0.745 7.268 1.00 1.00 H new ATOM 0 HH TYR A 54 -8.017 1.256 9.332 1.00 1.00 H new ATOM 737 N CYS A 55 -4.287 -0.719 4.681 1.00 1.00 N ATOM 738 CA CYS A 55 -3.314 0.148 5.558 1.00 1.00 C ATOM 739 C CYS A 55 -3.765 1.594 5.926 1.00 1.00 C ATOM 740 O CYS A 55 -3.500 2.128 7.004 1.00 1.00 O ATOM 741 CB CYS A 55 -1.974 0.254 4.887 1.00 1.00 C ATOM 742 SG CYS A 55 -0.737 0.559 6.208 1.00 1.00 S ATOM 0 H CYS A 55 -4.695 -0.251 3.872 1.00 1.00 H new ATOM 0 HA CYS A 55 -3.293 -0.399 6.501 1.00 1.00 H new ATOM 0 HB2 CYS A 55 -1.741 -0.662 4.344 1.00 1.00 H new ATOM 0 HB3 CYS A 55 -1.970 1.066 4.160 1.00 1.00 H new ATOM 747 N TRP A 56 -4.399 2.147 4.966 1.00 1.00 N ATOM 748 CA TRP A 56 -4.903 3.413 4.943 1.00 1.00 C ATOM 749 C TRP A 56 -6.452 3.438 5.022 1.00 1.00 C ATOM 750 O TRP A 56 -7.033 2.786 5.886 1.00 1.00 O ATOM 751 CB TRP A 56 -4.494 3.985 3.584 1.00 1.00 C ATOM 752 CG TRP A 56 -4.737 5.456 3.567 1.00 1.00 C ATOM 753 CD1 TRP A 56 -5.224 6.073 2.550 1.00 1.00 C ATOM 754 CD2 TRP A 56 -4.513 6.500 4.634 1.00 1.00 C ATOM 755 NE1 TRP A 56 -5.314 7.364 2.814 1.00 1.00 N ATOM 756 CE2 TRP A 56 -4.897 7.681 4.117 1.00 1.00 C ATOM 757 CE3 TRP A 56 -4.004 6.502 5.995 1.00 1.00 C ATOM 758 CZ2 TRP A 56 -4.823 8.883 4.847 1.00 1.00 C ATOM 759 CZ3 TRP A 56 -3.931 7.697 6.719 1.00 1.00 C ATOM 760 CH2 TRP A 56 -4.344 8.879 6.143 1.00 1.00 C ATOM 0 H TRP A 56 -4.583 1.648 4.096 1.00 1.00 H new ATOM 0 HA TRP A 56 -4.526 3.975 5.798 1.00 1.00 H new ATOM 0 HB2 TRP A 56 -3.441 3.778 3.393 1.00 1.00 H new ATOM 0 HB3 TRP A 56 -5.063 3.503 2.789 1.00 1.00 H new ATOM 0 HD1 TRP A 56 -5.515 5.607 1.621 1.00 1.00 H new ATOM 0 HE1 TRP A 56 -5.650 8.056 2.144 1.00 1.00 H new ATOM 0 HE3 TRP A 56 -3.681 5.577 6.450 1.00 1.00 H new ATOM 0 HZ2 TRP A 56 -5.141 9.810 4.393 1.00 1.00 H new ATOM 0 HZ3 TRP A 56 -3.551 7.693 7.730 1.00 1.00 H new ATOM 0 HH2 TRP A 56 -4.293 9.801 6.704 1.00 1.00 H new ATOM 771 N ASP A 57 -7.166 4.187 3.952 1.00 1.00 N ATOM 772 CA ASP A 57 -8.574 4.220 3.838 1.00 1.00 C ATOM 773 C ASP A 57 -9.073 5.522 3.073 1.00 1.00 C ATOM 774 O ASP A 57 -10.247 5.854 3.172 1.00 1.00 O ATOM 775 CB ASP A 57 -9.194 4.186 5.197 1.00 1.00 C ATOM 776 CG ASP A 57 -9.629 2.758 5.583 1.00 1.00 C ATOM 777 OD1 ASP A 57 -9.124 1.821 4.981 1.00 1.00 O ATOM 778 OD2 ASP A 57 -10.453 2.630 6.470 1.00 1.00 O ATOM 0 H ASP A 57 -6.684 4.725 3.232 1.00 1.00 H new ATOM 0 HA ASP A 57 -8.877 3.346 3.262 1.00 1.00 H new ATOM 0 HB2 ASP A 57 -8.483 4.562 5.932 1.00 1.00 H new ATOM 0 HB3 ASP A 57 -10.058 4.850 5.221 1.00 1.00 H new ATOM 783 N GLU A 58 -8.174 6.263 2.372 1.00 1.00 N ATOM 784 CA GLU A 58 -8.580 7.456 1.761 1.00 1.00 C ATOM 785 C GLU A 58 -7.466 8.104 1.174 1.00 1.00 C ATOM 786 O GLU A 58 -6.949 8.997 1.793 1.00 1.00 O ATOM 787 CB GLU A 58 -9.104 8.388 2.925 1.00 1.00 C ATOM 788 CG GLU A 58 -8.070 8.347 4.074 1.00 1.00 C ATOM 789 CD GLU A 58 -8.629 9.052 5.307 1.00 1.00 C ATOM 790 OE1 GLU A 58 -8.657 10.273 5.306 1.00 1.00 O ATOM 791 OE2 GLU A 58 -9.019 8.361 6.233 1.00 1.00 O ATOM 0 H GLU A 58 -7.191 6.021 2.245 1.00 1.00 H new ATOM 0 HA GLU A 58 -9.331 7.259 0.996 1.00 1.00 H new ATOM 0 HB2 GLU A 58 -9.234 9.409 2.566 1.00 1.00 H new ATOM 0 HB3 GLU A 58 -10.078 8.047 3.277 1.00 1.00 H new ATOM 0 HG2 GLU A 58 -7.825 7.313 4.316 1.00 1.00 H new ATOM 0 HG3 GLU A 58 -7.144 8.828 3.758 1.00 1.00 H new ATOM 798 N ALA A 59 -6.984 7.804 -0.047 1.00 1.00 N ATOM 799 CA ALA A 59 -5.851 8.631 -0.540 1.00 1.00 C ATOM 800 C ALA A 59 -6.010 8.970 -2.100 1.00 1.00 C ATOM 801 O ALA A 59 -5.065 9.273 -2.717 1.00 1.00 O ATOM 802 CB ALA A 59 -4.706 7.838 -0.428 1.00 1.00 C ATOM 0 H ALA A 59 -7.318 7.066 -0.667 1.00 1.00 H new ATOM 0 HA ALA A 59 -5.809 9.559 0.030 1.00 1.00 H new ATOM 0 HB1 ALA A 59 -3.839 8.399 -0.778 1.00 1.00 H new ATOM 0 HB2 ALA A 59 -4.559 7.557 0.615 1.00 1.00 H new ATOM 0 HB3 ALA A 59 -4.825 6.939 -1.033 1.00 1.00 H new ATOM 808 N LYS A 60 -7.231 8.637 -2.746 1.00 1.00 N ATOM 809 CA LYS A 60 -7.310 8.662 -4.115 1.00 1.00 C ATOM 810 C LYS A 60 -7.126 9.946 -4.675 1.00 1.00 C ATOM 811 O LYS A 60 -6.472 10.149 -5.648 1.00 1.00 O ATOM 812 CB LYS A 60 -8.741 8.108 -4.567 1.00 1.00 C ATOM 813 CG LYS A 60 -9.238 7.110 -3.492 1.00 1.00 C ATOM 814 CD LYS A 60 -10.406 6.214 -4.031 1.00 1.00 C ATOM 815 CE LYS A 60 -11.758 6.993 -3.918 1.00 1.00 C ATOM 816 NZ LYS A 60 -12.219 6.971 -2.503 1.00 1.00 N ATOM 0 H LYS A 60 -8.090 8.370 -2.266 1.00 1.00 H new ATOM 0 HA LYS A 60 -6.497 8.036 -4.482 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -9.448 8.930 -4.678 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -8.669 7.616 -5.537 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -8.410 6.476 -3.173 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -9.576 7.659 -2.613 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -10.218 5.939 -5.069 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -10.460 5.287 -3.461 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -11.628 8.022 -4.255 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -12.509 6.538 -4.565 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -13.214 7.272 -2.457 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -12.131 6.006 -2.124 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -11.635 7.620 -1.937 1.00 1.00 H new ATOM 830 N ASN A 61 -7.971 10.830 -4.105 1.00 1.00 N ATOM 831 CA ASN A 61 -8.123 12.140 -4.664 1.00 1.00 C ATOM 832 C ASN A 61 -6.849 12.721 -4.991 1.00 1.00 C ATOM 833 O ASN A 61 -5.836 12.367 -4.413 1.00 1.00 O ATOM 834 CB ASN A 61 -9.008 13.130 -3.813 1.00 1.00 C ATOM 835 CG ASN A 61 -10.239 13.624 -4.607 1.00 1.00 C ATOM 836 OD1 ASN A 61 -10.334 14.808 -4.934 1.00 1.00 O ATOM 837 ND2 ASN A 61 -11.179 12.779 -4.931 1.00 1.00 N ATOM 0 H ASN A 61 -8.536 10.644 -3.277 1.00 1.00 H new ATOM 0 HA ASN A 61 -8.687 11.987 -5.584 1.00 1.00 H new ATOM 0 HB2 ASN A 61 -9.339 12.631 -2.902 1.00 1.00 H new ATOM 0 HB3 ASN A 61 -8.405 13.985 -3.507 1.00 1.00 H new ATOM 0 HD21 ASN A 61 -11.993 13.099 -5.455 1.00 1.00 H new ATOM 0 HD22 ASN A 61 -11.099 11.799 -4.660 1.00 1.00 H new ATOM 844 N PRO A 62 -6.830 13.586 -5.972 1.00 1.00 N ATOM 845 CA PRO A 62 -5.638 14.185 -6.440 1.00 1.00 C ATOM 846 C PRO A 62 -5.242 15.438 -5.738 1.00 1.00 C ATOM 847 O PRO A 62 -4.309 16.099 -6.200 1.00 1.00 O ATOM 848 CB PRO A 62 -5.979 14.478 -7.956 1.00 1.00 C ATOM 849 CG PRO A 62 -7.383 14.021 -8.117 1.00 1.00 C ATOM 850 CD PRO A 62 -7.944 14.089 -6.756 1.00 1.00 C ATOM 0 HA PRO A 62 -4.781 13.533 -6.271 1.00 1.00 H new ATOM 0 HB2 PRO A 62 -5.878 15.538 -8.188 1.00 1.00 H new ATOM 0 HB3 PRO A 62 -5.307 13.940 -8.625 1.00 1.00 H new ATOM 0 HG2 PRO A 62 -7.933 14.661 -8.807 1.00 1.00 H new ATOM 0 HG3 PRO A 62 -7.429 13.008 -8.516 1.00 1.00 H new ATOM 0 HD2 PRO A 62 -8.221 15.105 -6.474 1.00 1.00 H new ATOM 0 HD3 PRO A 62 -8.837 13.473 -6.647 1.00 1.00 H new ATOM 858 N GLY A 63 -5.900 15.854 -4.618 1.00 1.00 N ATOM 859 CA GLY A 63 -5.500 17.092 -3.956 1.00 1.00 C ATOM 860 C GLY A 63 -6.348 17.214 -2.659 1.00 1.00 C ATOM 861 O GLY A 63 -7.046 18.208 -2.447 1.00 1.00 O ATOM 0 H GLY A 63 -6.678 15.360 -4.182 1.00 1.00 H new ATOM 0 HA2 GLY A 63 -4.436 17.076 -3.720 1.00 1.00 H new ATOM 0 HA3 GLY A 63 -5.669 17.949 -4.608 1.00 1.00 H new ATOM 865 N GLY A 64 -6.275 16.140 -1.798 1.00 1.00 N ATOM 866 CA GLY A 64 -7.038 16.114 -0.550 1.00 1.00 C ATOM 867 C GLY A 64 -6.685 14.905 0.375 1.00 1.00 C ATOM 868 O GLY A 64 -5.961 15.088 1.354 1.00 1.00 O ATOM 0 H GLY A 64 -5.702 15.312 -1.963 1.00 1.00 H new ATOM 0 HA2 GLY A 64 -6.859 17.041 -0.006 1.00 1.00 H new ATOM 0 HA3 GLY A 64 -8.102 16.082 -0.785 1.00 1.00 H new ATOM 872 N PRO A 65 -7.182 13.662 0.107 1.00 1.00 N ATOM 873 CA PRO A 65 -6.883 12.538 0.950 1.00 1.00 C ATOM 874 C PRO A 65 -5.439 12.293 0.976 1.00 1.00 C ATOM 875 O PRO A 65 -4.681 13.104 0.515 1.00 1.00 O ATOM 876 CB PRO A 65 -7.709 11.343 0.326 1.00 1.00 C ATOM 877 CG PRO A 65 -8.731 12.036 -0.398 1.00 1.00 C ATOM 878 CD PRO A 65 -8.000 13.266 -0.957 1.00 1.00 C ATOM 0 HA PRO A 65 -7.159 12.690 1.993 1.00 1.00 H new ATOM 0 HB2 PRO A 65 -7.097 10.721 -0.327 1.00 1.00 H new ATOM 0 HB3 PRO A 65 -8.124 10.689 1.093 1.00 1.00 H new ATOM 0 HG2 PRO A 65 -9.147 11.420 -1.195 1.00 1.00 H new ATOM 0 HG3 PRO A 65 -9.560 12.321 0.250 1.00 1.00 H new ATOM 0 HD2 PRO A 65 -7.416 13.019 -1.844 1.00 1.00 H new ATOM 0 HD3 PRO A 65 -8.697 14.053 -1.244 1.00 1.00 H new ATOM 886 N ASN A 66 -5.042 11.263 1.605 1.00 1.00 N ATOM 887 CA ASN A 66 -3.527 11.016 1.769 1.00 1.00 C ATOM 888 C ASN A 66 -2.830 11.287 0.495 1.00 1.00 C ATOM 889 O ASN A 66 -1.628 11.518 0.468 1.00 1.00 O ATOM 890 CB ASN A 66 -3.190 9.575 2.241 1.00 1.00 C ATOM 891 CG ASN A 66 -2.366 9.566 3.583 1.00 1.00 C ATOM 892 OD1 ASN A 66 -2.304 8.539 4.259 1.00 1.00 O ATOM 893 ND2 ASN A 66 -1.731 10.644 3.981 1.00 1.00 N ATOM 0 H ASN A 66 -5.650 10.561 2.026 1.00 1.00 H new ATOM 0 HA ASN A 66 -3.185 11.699 2.546 1.00 1.00 H new ATOM 0 HB2 ASN A 66 -4.114 9.015 2.381 1.00 1.00 H new ATOM 0 HB3 ASN A 66 -2.622 9.064 1.464 1.00 1.00 H new ATOM 0 HD21 ASN A 66 -1.190 10.627 4.846 1.00 1.00 H new ATOM 0 HD22 ASN A 66 -1.778 11.498 3.425 1.00 1.00 H new ATOM 900 N ARG A 67 -3.625 11.250 -0.553 1.00 1.00 N ATOM 901 CA ARG A 67 -3.206 11.501 -1.908 1.00 1.00 C ATOM 902 C ARG A 67 -2.484 10.368 -2.494 1.00 1.00 C ATOM 903 O ARG A 67 -1.402 10.055 -2.095 1.00 1.00 O ATOM 904 CB ARG A 67 -2.313 12.803 -1.985 1.00 1.00 C ATOM 905 CG ARG A 67 -3.198 14.012 -2.067 1.00 1.00 C ATOM 906 CD ARG A 67 -3.515 14.280 -3.506 1.00 1.00 C ATOM 907 NE ARG A 67 -2.325 14.816 -4.228 1.00 1.00 N ATOM 908 CZ ARG A 67 -1.753 15.992 -3.900 1.00 1.00 C ATOM 909 NH1 ARG A 67 -2.250 16.728 -2.957 1.00 1.00 N ATOM 910 NH2 ARG A 67 -0.697 16.396 -4.545 1.00 1.00 N ATOM 0 H ARG A 67 -4.619 11.035 -0.477 1.00 1.00 H new ATOM 0 HA ARG A 67 -4.115 11.647 -2.492 1.00 1.00 H new ATOM 0 HB2 ARG A 67 -1.670 12.868 -1.107 1.00 1.00 H new ATOM 0 HB3 ARG A 67 -1.659 12.758 -2.856 1.00 1.00 H new ATOM 0 HG2 ARG A 67 -4.116 13.847 -1.503 1.00 1.00 H new ATOM 0 HG3 ARG A 67 -2.701 14.875 -1.623 1.00 1.00 H new ATOM 0 HD2 ARG A 67 -3.851 13.360 -3.985 1.00 1.00 H new ATOM 0 HD3 ARG A 67 -4.337 14.993 -3.574 1.00 1.00 H new ATOM 0 HE ARG A 67 -1.930 14.274 -4.997 1.00 1.00 H new ATOM 0 HH11 ARG A 67 -3.082 16.420 -2.454 1.00 1.00 H new ATOM 0 HH12 ARG A 67 -1.809 17.616 -2.717 1.00 1.00 H new ATOM 0 HH21 ARG A 67 -0.307 15.824 -5.294 1.00 1.00 H new ATOM 0 HH22 ARG A 67 -0.260 17.285 -4.302 1.00 1.00 H new ATOM 924 N CYS A 68 -3.054 9.831 -3.516 1.00 1.00 N ATOM 925 CA CYS A 68 -2.458 8.799 -4.268 1.00 1.00 C ATOM 926 C CYS A 68 -3.049 8.858 -5.513 1.00 1.00 C ATOM 927 O CYS A 68 -2.591 9.618 -6.370 1.00 1.00 O ATOM 928 CB CYS A 68 -2.514 7.363 -3.523 1.00 1.00 C ATOM 929 SG CYS A 68 -4.133 6.550 -3.385 1.00 1.00 S ATOM 0 H CYS A 68 -3.974 10.111 -3.856 1.00 1.00 H new ATOM 0 HA CYS A 68 -1.382 8.935 -4.379 1.00 1.00 H new ATOM 0 HB2 CYS A 68 -1.841 6.685 -4.049 1.00 1.00 H new ATOM 0 HB3 CYS A 68 -2.115 7.491 -2.517 1.00 1.00 H new ATOM 934 N SER A 69 -3.999 8.137 -5.690 1.00 1.00 N ATOM 935 CA SER A 69 -4.717 8.099 -6.901 1.00 1.00 C ATOM 936 C SER A 69 -4.147 7.100 -7.854 1.00 1.00 C ATOM 937 O SER A 69 -4.866 6.552 -8.694 1.00 1.00 O ATOM 938 CB SER A 69 -4.770 9.508 -7.639 1.00 1.00 C ATOM 939 OG SER A 69 -3.726 9.569 -8.609 1.00 1.00 O ATOM 0 H SER A 69 -4.357 7.499 -4.979 1.00 1.00 H new ATOM 0 HA SER A 69 -5.729 7.812 -6.616 1.00 1.00 H new ATOM 0 HB2 SER A 69 -5.738 9.644 -8.121 1.00 1.00 H new ATOM 0 HB3 SER A 69 -4.658 10.315 -6.915 1.00 1.00 H new ATOM 0 HG SER A 69 -2.858 9.598 -8.154 1.00 1.00 H new ATOM 945 N ASN A 70 -2.800 6.951 -7.832 1.00 1.00 N ATOM 946 CA ASN A 70 -2.120 6.106 -8.838 1.00 1.00 C ATOM 947 C ASN A 70 -1.515 4.964 -8.285 1.00 1.00 C ATOM 948 O ASN A 70 -1.485 3.933 -8.921 1.00 1.00 O ATOM 949 CB ASN A 70 -1.048 6.942 -9.531 1.00 1.00 C ATOM 950 CG ASN A 70 -1.671 8.223 -10.084 1.00 1.00 C ATOM 951 OD1 ASN A 70 -1.363 9.318 -9.614 1.00 1.00 O ATOM 952 ND2 ASN A 70 -2.540 8.150 -11.061 1.00 1.00 N ATOM 0 H ASN A 70 -2.181 7.391 -7.151 1.00 1.00 H new ATOM 0 HA ASN A 70 -2.881 5.760 -9.538 1.00 1.00 H new ATOM 0 HB2 ASN A 70 -0.253 7.187 -8.827 1.00 1.00 H new ATOM 0 HB3 ASN A 70 -0.593 6.369 -10.339 1.00 1.00 H new ATOM 0 HD21 ASN A 70 -2.962 9.001 -11.433 1.00 1.00 H new ATOM 0 HD22 ASN A 70 -2.795 7.242 -11.450 1.00 1.00 H new ATOM 959 N SER A 71 -1.026 5.099 -7.074 1.00 1.00 N ATOM 960 CA SER A 71 -0.369 3.922 -6.355 1.00 1.00 C ATOM 961 C SER A 71 0.690 4.324 -5.190 1.00 1.00 C ATOM 962 O SER A 71 1.782 3.764 -5.150 1.00 1.00 O ATOM 963 CB SER A 71 0.360 3.041 -7.411 1.00 1.00 C ATOM 964 OG SER A 71 1.468 2.358 -6.845 1.00 1.00 O ATOM 0 H SER A 71 -1.046 5.968 -6.540 1.00 1.00 H new ATOM 0 HA SER A 71 -1.177 3.393 -5.849 1.00 1.00 H new ATOM 0 HB2 SER A 71 -0.340 2.317 -7.828 1.00 1.00 H new ATOM 0 HB3 SER A 71 0.700 3.667 -8.236 1.00 1.00 H new ATOM 0 HG SER A 71 2.118 3.010 -6.511 1.00 1.00 H new ATOM 970 N LYS A 72 0.431 5.377 -4.376 1.00 1.00 N ATOM 971 CA LYS A 72 1.522 5.847 -3.423 1.00 1.00 C ATOM 972 C LYS A 72 1.119 6.293 -2.163 1.00 1.00 C ATOM 973 O LYS A 72 1.726 7.183 -1.595 1.00 1.00 O ATOM 974 CB LYS A 72 2.175 7.171 -4.160 1.00 1.00 C ATOM 975 CG LYS A 72 1.124 8.267 -4.403 1.00 1.00 C ATOM 976 CD LYS A 72 1.807 9.687 -4.356 1.00 1.00 C ATOM 977 CE LYS A 72 0.935 10.735 -5.103 1.00 1.00 C ATOM 978 NZ LYS A 72 1.630 12.056 -5.091 1.00 1.00 N ATOM 0 H LYS A 72 -0.446 5.897 -4.340 1.00 1.00 H new ATOM 0 HA LYS A 72 2.167 4.987 -3.243 1.00 1.00 H new ATOM 0 HB2 LYS A 72 2.980 7.570 -3.543 1.00 1.00 H new ATOM 0 HB3 LYS A 72 2.619 6.876 -5.111 1.00 1.00 H new ATOM 0 HG2 LYS A 72 0.646 8.116 -5.371 1.00 1.00 H new ATOM 0 HG3 LYS A 72 0.341 8.206 -3.647 1.00 1.00 H new ATOM 0 HD2 LYS A 72 1.949 9.995 -3.320 1.00 1.00 H new ATOM 0 HD3 LYS A 72 2.796 9.637 -4.812 1.00 1.00 H new ATOM 0 HE2 LYS A 72 0.759 10.413 -6.130 1.00 1.00 H new ATOM 0 HE3 LYS A 72 -0.041 10.820 -4.624 1.00 1.00 H new ATOM 0 HZ1 LYS A 72 1.048 12.759 -5.590 1.00 1.00 H new ATOM 0 HZ2 LYS A 72 1.776 12.363 -4.108 1.00 1.00 H new ATOM 0 HZ3 LYS A 72 2.551 11.968 -5.566 1.00 1.00 H new ATOM 992 N GLN A 73 0.155 5.838 -1.768 1.00 1.00 N ATOM 993 CA GLN A 73 -0.461 6.293 -0.528 1.00 1.00 C ATOM 994 C GLN A 73 -1.895 5.777 -0.491 1.00 1.00 C ATOM 995 O GLN A 73 -2.707 6.459 -0.122 1.00 1.00 O ATOM 996 CB GLN A 73 -0.561 7.983 -0.560 1.00 1.00 C ATOM 997 CG GLN A 73 0.209 8.638 0.554 1.00 1.00 C ATOM 998 CD GLN A 73 -0.221 8.073 1.908 1.00 1.00 C ATOM 999 OE1 GLN A 73 -1.077 7.194 1.973 1.00 1.00 O ATOM 1000 NE2 GLN A 73 0.311 8.541 2.992 1.00 1.00 N ATOM 0 H GLN A 73 -0.352 5.088 -2.237 1.00 1.00 H new ATOM 0 HA GLN A 73 0.121 5.943 0.325 1.00 1.00 H new ATOM 0 HB2 GLN A 73 -0.185 8.346 -1.517 1.00 1.00 H new ATOM 0 HB3 GLN A 73 -1.607 8.281 -0.495 1.00 1.00 H new ATOM 0 HG2 GLN A 73 1.277 8.477 0.409 1.00 1.00 H new ATOM 0 HG3 GLN A 73 0.043 9.715 0.534 1.00 1.00 H new ATOM 0 HE21 GLN A 73 1.022 9.271 2.937 1.00 1.00 H new ATOM 0 HE22 GLN A 73 0.019 8.180 3.900 1.00 1.00 H new ATOM 1009 N CYS A 74 -2.163 4.533 -0.824 1.00 1.00 N ATOM 1010 CA CYS A 74 -3.660 4.025 -0.727 1.00 1.00 C ATOM 1011 C CYS A 74 -3.705 3.058 0.400 1.00 1.00 C ATOM 1012 O CYS A 74 -2.956 3.301 1.319 1.00 1.00 O ATOM 1013 CB CYS A 74 -4.083 3.520 -2.141 1.00 1.00 C ATOM 1014 SG CYS A 74 -3.472 4.653 -3.494 1.00 1.00 S ATOM 0 H CYS A 74 -1.481 3.847 -1.147 1.00 1.00 H new ATOM 0 HA CYS A 74 -4.406 4.782 -0.485 1.00 1.00 H new ATOM 0 HB2 CYS A 74 -3.689 2.517 -2.302 1.00 1.00 H new ATOM 0 HB3 CYS A 74 -5.169 3.447 -2.191 1.00 1.00 H new ATOM 1019 N ASP A 75 -4.631 1.914 0.482 1.00 1.00 N ATOM 1020 CA ASP A 75 -4.597 1.085 1.815 1.00 1.00 C ATOM 1021 C ASP A 75 -4.036 -0.264 1.576 1.00 1.00 C ATOM 1022 O ASP A 75 -2.830 -0.505 1.696 1.00 1.00 O ATOM 1023 CB ASP A 75 -6.135 1.140 2.355 1.00 1.00 C ATOM 1024 CG ASP A 75 -6.579 -0.092 2.943 1.00 1.00 C ATOM 1025 OD1 ASP A 75 -6.999 -0.950 2.192 1.00 1.00 O ATOM 1026 OD2 ASP A 75 -6.533 -0.198 4.145 1.00 1.00 O ATOM 0 H ASP A 75 -5.288 1.608 -0.236 1.00 1.00 H new ATOM 0 HA ASP A 75 -3.934 1.481 2.584 1.00 1.00 H new ATOM 0 HB2 ASP A 75 -6.225 1.938 3.092 1.00 1.00 H new ATOM 0 HB3 ASP A 75 -6.794 1.396 1.526 1.00 1.00 H new ATOM 1031 N GLY A 76 -4.864 -1.080 1.234 1.00 1.00 N ATOM 1032 CA GLY A 76 -4.561 -2.424 0.929 1.00 1.00 C ATOM 1033 C GLY A 76 -5.501 -2.863 -0.139 1.00 1.00 C ATOM 1034 O GLY A 76 -5.723 -2.136 -1.023 1.00 1.00 O ATOM 0 H GLY A 76 -5.855 -0.857 1.139 1.00 1.00 H new ATOM 0 HA2 GLY A 76 -3.528 -2.518 0.593 1.00 1.00 H new ATOM 0 HA3 GLY A 76 -4.666 -3.051 1.814 1.00 1.00 H new ATOM 1038 N ALA A 77 -6.037 -4.088 0.001 1.00 1.00 N ATOM 1039 CA ALA A 77 -7.016 -4.733 -0.954 1.00 1.00 C ATOM 1040 C ALA A 77 -7.603 -3.804 -2.024 1.00 1.00 C ATOM 1041 O ALA A 77 -8.778 -3.961 -2.368 1.00 1.00 O ATOM 1042 CB ALA A 77 -8.161 -5.220 -0.149 1.00 1.00 C ATOM 0 H ALA A 77 -5.810 -4.689 0.793 1.00 1.00 H new ATOM 0 HA ALA A 77 -6.457 -5.507 -1.479 1.00 1.00 H new ATOM 0 HB1 ALA A 77 -8.892 -5.693 -0.805 1.00 1.00 H new ATOM 0 HB2 ALA A 77 -7.808 -5.945 0.584 1.00 1.00 H new ATOM 0 HB3 ALA A 77 -8.627 -4.380 0.367 1.00 1.00 H new ATOM 1048 N ARG A 78 -6.854 -2.784 -2.501 1.00 1.00 N ATOM 1049 CA ARG A 78 -7.363 -1.845 -3.407 1.00 1.00 C ATOM 1050 C ARG A 78 -6.534 -1.848 -4.614 1.00 1.00 C ATOM 1051 O ARG A 78 -5.480 -2.423 -4.604 1.00 1.00 O ATOM 1052 CB ARG A 78 -7.337 -0.557 -2.766 1.00 1.00 C ATOM 1053 CG ARG A 78 -8.285 -0.581 -1.539 1.00 1.00 C ATOM 1054 CD ARG A 78 -8.482 0.818 -1.094 1.00 1.00 C ATOM 1055 NE ARG A 78 -9.339 1.548 -2.057 1.00 1.00 N ATOM 1056 CZ ARG A 78 -10.601 1.942 -1.755 1.00 1.00 C ATOM 1057 NH1 ARG A 78 -11.118 1.699 -0.569 1.00 1.00 N ATOM 1058 NH2 ARG A 78 -11.306 2.575 -2.650 1.00 1.00 N ATOM 0 H ARG A 78 -5.881 -2.627 -2.240 1.00 1.00 H new ATOM 0 HA ARG A 78 -8.386 -2.085 -3.696 1.00 1.00 H new ATOM 0 HB2 ARG A 78 -6.322 -0.314 -2.452 1.00 1.00 H new ATOM 0 HB3 ARG A 78 -7.648 0.218 -3.467 1.00 1.00 H new ATOM 0 HG2 ARG A 78 -9.240 -1.036 -1.802 1.00 1.00 H new ATOM 0 HG3 ARG A 78 -7.856 -1.181 -0.736 1.00 1.00 H new ATOM 0 HD2 ARG A 78 -8.941 0.831 -0.106 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -7.517 1.317 -1.004 1.00 1.00 H new ATOM 0 HE ARG A 78 -8.966 1.762 -2.982 1.00 1.00 H new ATOM 0 HH11 ARG A 78 -10.568 1.209 0.136 1.00 1.00 H new ATOM 0 HH12 ARG A 78 -12.069 2.001 -0.355 1.00 1.00 H new ATOM 0 HH21 ARG A 78 -10.908 2.770 -3.568 1.00 1.00 H new ATOM 0 HH22 ARG A 78 -12.256 2.875 -2.432 1.00 1.00 H new ATOM 1072 N THR A 79 -6.978 -1.203 -5.717 1.00 1.00 N ATOM 1073 CA THR A 79 -6.180 -1.232 -6.875 1.00 1.00 C ATOM 1074 C THR A 79 -6.238 -0.054 -7.598 1.00 1.00 C ATOM 1075 O THR A 79 -6.768 -0.029 -8.647 1.00 1.00 O ATOM 1076 CB THR A 79 -6.493 -2.457 -7.709 1.00 1.00 C ATOM 1077 OG1 THR A 79 -6.859 -3.523 -6.850 1.00 1.00 O ATOM 1078 CG2 THR A 79 -5.223 -2.841 -8.493 1.00 1.00 C ATOM 0 H THR A 79 -7.855 -0.687 -5.791 1.00 1.00 H new ATOM 0 HA THR A 79 -5.141 -1.313 -6.557 1.00 1.00 H new ATOM 0 HB THR A 79 -7.313 -2.252 -8.397 1.00 1.00 H new ATOM 0 HG1 THR A 79 -7.064 -4.318 -7.385 1.00 1.00 H new ATOM 0 HG21 THR A 79 -5.424 -3.722 -9.102 1.00 1.00 H new ATOM 0 HG22 THR A 79 -4.930 -2.013 -9.138 1.00 1.00 H new ATOM 0 HG23 THR A 79 -4.416 -3.060 -7.794 1.00 1.00 H new ATOM 1086 N CYS A 80 -5.509 0.990 -7.020 1.00 1.00 N ATOM 1087 CA CYS A 80 -5.305 2.256 -7.620 1.00 1.00 C ATOM 1088 C CYS A 80 -5.805 2.433 -8.948 1.00 1.00 C ATOM 1089 O CYS A 80 -5.142 3.012 -9.820 1.00 1.00 O ATOM 1090 CB CYS A 80 -3.802 2.611 -7.549 1.00 1.00 C ATOM 1091 SG CYS A 80 -3.585 4.181 -6.363 1.00 1.00 S ATOM 0 H CYS A 80 -5.065 0.906 -6.105 1.00 1.00 H new ATOM 0 HA CYS A 80 -5.915 2.945 -7.035 1.00 1.00 H new ATOM 0 HB2 CYS A 80 -3.230 1.765 -7.167 1.00 1.00 H new ATOM 0 HB3 CYS A 80 -3.417 2.832 -8.545 1.00 1.00 H new ATOM 1096 N SER A 81 -6.892 1.926 -9.163 1.00 1.00 N ATOM 1097 CA SER A 81 -7.515 1.945 -10.371 1.00 1.00 C ATOM 1098 C SER A 81 -7.010 0.816 -11.118 1.00 1.00 C ATOM 1099 O SER A 81 -7.721 0.192 -11.904 1.00 1.00 O ATOM 1100 CB SER A 81 -7.444 3.314 -11.044 1.00 1.00 C ATOM 1101 OG SER A 81 -6.699 3.240 -12.258 1.00 1.00 O ATOM 0 H SER A 81 -7.426 1.441 -8.442 1.00 1.00 H new ATOM 0 HA SER A 81 -8.594 1.817 -10.284 1.00 1.00 H new ATOM 0 HB2 SER A 81 -8.451 3.676 -11.251 1.00 1.00 H new ATOM 0 HB3 SER A 81 -6.979 4.033 -10.369 1.00 1.00 H new ATOM 0 HG SER A 81 -5.747 3.137 -12.052 1.00 1.00 H new ATOM 1107 N SER A 82 -5.829 0.416 -10.702 1.00 1.00 N ATOM 1108 CA SER A 82 -5.248 -0.816 -11.144 1.00 1.00 C ATOM 1109 C SER A 82 -3.710 -1.092 -10.752 1.00 1.00 C ATOM 1110 O SER A 82 -3.149 -2.075 -11.238 1.00 1.00 O ATOM 1111 CB SER A 82 -5.498 -1.066 -12.556 1.00 1.00 C ATOM 1112 OG SER A 82 -4.469 -1.886 -13.116 1.00 1.00 O ATOM 0 H SER A 82 -5.250 0.942 -10.047 1.00 1.00 H new ATOM 0 HA SER A 82 -5.786 -1.553 -10.548 1.00 1.00 H new ATOM 0 HB2 SER A 82 -6.465 -1.554 -12.678 1.00 1.00 H new ATOM 0 HB3 SER A 82 -5.548 -0.120 -13.094 1.00 1.00 H new ATOM 0 HG SER A 82 -4.139 -2.508 -12.434 1.00 1.00 H new ATOM 1118 N SER A 83 -3.025 -0.249 -9.836 1.00 1.00 N ATOM 1119 CA SER A 83 -1.601 -0.568 -9.474 1.00 1.00 C ATOM 1120 C SER A 83 -1.524 -0.981 -8.031 1.00 1.00 C ATOM 1121 O SER A 83 -0.452 -1.088 -7.448 1.00 1.00 O ATOM 1122 CB SER A 83 -0.637 0.568 -9.834 1.00 1.00 C ATOM 1123 OG SER A 83 -0.195 0.396 -11.181 1.00 1.00 O ATOM 0 H SER A 83 -3.420 0.577 -9.387 1.00 1.00 H new ATOM 0 HA SER A 83 -1.269 -1.413 -10.077 1.00 1.00 H new ATOM 0 HB2 SER A 83 -1.133 1.532 -9.721 1.00 1.00 H new ATOM 0 HB3 SER A 83 0.216 0.567 -9.155 1.00 1.00 H new ATOM 0 HG SER A 83 0.421 1.121 -11.418 1.00 1.00 H new ATOM 1129 N GLY A 84 -2.680 -1.361 -7.524 1.00 1.00 N ATOM 1130 CA GLY A 84 -2.761 -1.942 -6.216 1.00 1.00 C ATOM 1131 C GLY A 84 -2.716 -1.050 -5.211 1.00 1.00 C ATOM 1132 O GLY A 84 -2.021 -1.299 -4.210 1.00 1.00 O ATOM 0 H GLY A 84 -3.574 -1.274 -8.007 1.00 1.00 H new ATOM 0 HA2 GLY A 84 -3.688 -2.511 -6.140 1.00 1.00 H new ATOM 0 HA3 GLY A 84 -1.942 -2.651 -6.094 1.00 1.00 H new ATOM 1136 N PHE A 85 -3.464 0.062 -5.286 1.00 1.00 N ATOM 1137 CA PHE A 85 -3.468 0.888 -4.285 1.00 1.00 C ATOM 1138 C PHE A 85 -4.852 1.479 -4.266 1.00 1.00 C ATOM 1139 O PHE A 85 -5.557 1.110 -3.502 1.00 1.00 O ATOM 1140 CB PHE A 85 -2.299 1.819 -4.430 1.00 1.00 C ATOM 1141 CG PHE A 85 -1.092 1.462 -3.447 1.00 1.00 C ATOM 1142 CD1 PHE A 85 -1.284 1.047 -2.076 1.00 1.00 C ATOM 1143 CD2 PHE A 85 0.187 1.564 -3.942 1.00 1.00 C ATOM 1144 CE1 PHE A 85 -0.176 0.756 -1.284 1.00 1.00 C ATOM 1145 CE2 PHE A 85 1.291 1.270 -3.137 1.00 1.00 C ATOM 1146 CZ PHE A 85 1.111 0.867 -1.813 1.00 1.00 C ATOM 0 H PHE A 85 -4.047 0.327 -6.080 1.00 1.00 H new ATOM 0 HA PHE A 85 -3.309 0.454 -3.298 1.00 1.00 H new ATOM 0 HB2 PHE A 85 -1.943 1.789 -5.460 1.00 1.00 H new ATOM 0 HB3 PHE A 85 -2.628 2.840 -4.236 1.00 1.00 H new ATOM 0 HD1 PHE A 85 -2.281 0.963 -1.668 1.00 1.00 H new ATOM 0 HD2 PHE A 85 0.340 1.875 -4.965 1.00 1.00 H new ATOM 0 HE1 PHE A 85 -0.313 0.444 -0.259 1.00 1.00 H new ATOM 0 HE2 PHE A 85 2.289 1.355 -3.542 1.00 1.00 H new ATOM 0 HZ PHE A 85 1.969 0.641 -1.197 1.00 1.00 H new ATOM 1156 N CYS A 86 -5.205 2.464 -5.051 1.00 1.00 N ATOM 1157 CA CYS A 86 -6.685 3.085 -4.891 1.00 1.00 C ATOM 1158 C CYS A 86 -7.754 2.887 -5.965 1.00 1.00 C ATOM 1159 O CYS A 86 -7.715 3.415 -7.072 1.00 1.00 O ATOM 1160 CB CYS A 86 -6.571 4.480 -4.617 1.00 1.00 C ATOM 1161 SG CYS A 86 -5.530 5.235 -6.099 1.00 1.00 S ATOM 0 H CYS A 86 -4.620 2.887 -5.772 1.00 1.00 H new ATOM 0 HA CYS A 86 -7.080 2.470 -4.082 1.00 1.00 H new ATOM 0 HB2 CYS A 86 -7.554 4.947 -4.552 1.00 1.00 H new ATOM 0 HB3 CYS A 86 -6.073 4.651 -3.663 1.00 1.00 H new ATOM 1166 N GLN A 87 -8.827 2.057 -5.494 1.00 1.00 N ATOM 1167 CA GLN A 87 -9.947 1.732 -6.270 1.00 1.00 C ATOM 1168 C GLN A 87 -10.723 0.483 -5.696 1.00 1.00 C ATOM 1169 O GLN A 87 -11.951 0.445 -5.729 1.00 1.00 O ATOM 1170 CB GLN A 87 -9.467 1.488 -7.681 1.00 1.00 C ATOM 1171 CG GLN A 87 -10.315 0.431 -8.388 1.00 1.00 C ATOM 1172 CD GLN A 87 -9.934 -0.992 -7.913 1.00 1.00 C ATOM 1173 OE1 GLN A 87 -8.922 -1.168 -7.257 1.00 1.00 O ATOM 1174 NE2 GLN A 87 -10.706 -2.008 -8.219 1.00 1.00 N ATOM 0 H GLN A 87 -8.845 1.648 -4.560 1.00 1.00 H new ATOM 0 HA GLN A 87 -10.661 2.555 -6.251 1.00 1.00 H new ATOM 0 HB2 GLN A 87 -9.502 2.420 -8.244 1.00 1.00 H new ATOM 0 HB3 GLN A 87 -8.426 1.167 -7.661 1.00 1.00 H new ATOM 0 HG2 GLN A 87 -11.371 0.614 -8.190 1.00 1.00 H new ATOM 0 HG3 GLN A 87 -10.175 0.508 -9.466 1.00 1.00 H new ATOM 0 HE21 GLN A 87 -11.552 -1.858 -8.768 1.00 1.00 H new ATOM 0 HE22 GLN A 87 -10.460 -2.948 -7.908 1.00 1.00 H new ATOM 1183 N GLY A 88 -10.011 -0.502 -5.264 1.00 1.00 N ATOM 1184 CA GLY A 88 -10.664 -1.760 -4.771 1.00 1.00 C ATOM 1185 C GLY A 88 -11.497 -1.598 -3.463 1.00 1.00 C ATOM 1186 O GLY A 88 -12.487 -0.867 -3.435 1.00 1.00 O ATOM 0 H GLY A 88 -8.992 -0.504 -5.225 1.00 1.00 H new ATOM 0 HA2 GLY A 88 -11.317 -2.145 -5.555 1.00 1.00 H new ATOM 0 HA3 GLY A 88 -9.892 -2.511 -4.602 1.00 1.00 H new ATOM 1190 N THR A 89 -11.131 -2.398 -2.409 1.00 1.00 N ATOM 1191 CA THR A 89 -11.916 -2.437 -1.140 1.00 1.00 C ATOM 1192 C THR A 89 -11.188 -2.096 0.152 1.00 1.00 C ATOM 1193 O THR A 89 -11.585 -1.165 0.819 1.00 1.00 O ATOM 1194 CB THR A 89 -12.590 -3.892 -1.067 1.00 1.00 C ATOM 1195 OG1 THR A 89 -13.957 -3.744 -0.714 1.00 1.00 O ATOM 1196 CG2 THR A 89 -11.906 -4.864 -0.027 1.00 1.00 C ATOM 0 H THR A 89 -10.315 -3.010 -2.417 1.00 1.00 H new ATOM 0 HA THR A 89 -12.640 -1.624 -1.195 1.00 1.00 H new ATOM 0 HB THR A 89 -12.464 -4.343 -2.051 1.00 1.00 H new ATOM 0 HG1 THR A 89 -14.380 -4.627 -0.668 1.00 1.00 H new ATOM 0 HG21 THR A 89 -12.418 -5.826 -0.037 1.00 1.00 H new ATOM 0 HG22 THR A 89 -10.860 -5.007 -0.297 1.00 1.00 H new ATOM 0 HG23 THR A 89 -11.967 -4.430 0.971 1.00 1.00 H new ATOM 1204 N ALA A 90 -10.267 -2.901 0.541 1.00 1.00 N ATOM 1205 CA ALA A 90 -9.602 -2.774 1.847 1.00 1.00 C ATOM 1206 C ALA A 90 -10.341 -3.710 2.805 1.00 1.00 C ATOM 1207 O ALA A 90 -11.527 -3.550 3.096 1.00 1.00 O ATOM 1208 CB ALA A 90 -9.611 -1.384 2.438 1.00 1.00 C ATOM 0 H ALA A 90 -9.930 -3.683 -0.021 1.00 1.00 H new ATOM 0 HA ALA A 90 -8.551 -3.022 1.702 1.00 1.00 H new ATOM 0 HB1 ALA A 90 -9.097 -1.394 3.399 1.00 1.00 H new ATOM 0 HB2 ALA A 90 -9.102 -0.698 1.762 1.00 1.00 H new ATOM 0 HB3 ALA A 90 -10.641 -1.056 2.580 1.00 1.00 H new ATOM 1214 N GLY A 91 -9.600 -4.589 3.309 1.00 1.00 N ATOM 1215 CA GLY A 91 -10.122 -5.624 4.407 1.00 1.00 C ATOM 1216 C GLY A 91 -8.921 -6.323 5.460 1.00 1.00 C ATOM 1217 O GLY A 91 -9.287 -6.899 6.467 1.00 1.00 O ATOM 0 H GLY A 91 -8.618 -4.709 3.059 1.00 1.00 H new ATOM 0 HA2 GLY A 91 -10.864 -5.118 5.026 1.00 1.00 H new ATOM 0 HA3 GLY A 91 -10.636 -6.435 3.892 1.00 1.00 H new ATOM 1221 N HIS A 92 -7.550 -6.140 5.174 1.00 1.00 N ATOM 1222 CA HIS A 92 -6.373 -6.651 6.141 1.00 1.00 C ATOM 1223 C HIS A 92 -6.366 -8.134 6.524 1.00 1.00 C ATOM 1224 O HIS A 92 -7.388 -8.622 7.016 1.00 1.00 O ATOM 1225 CB HIS A 92 -6.525 -5.875 7.570 1.00 1.00 C ATOM 1226 CG HIS A 92 -7.433 -6.605 8.562 1.00 1.00 C ATOM 1227 ND1 HIS A 92 -8.775 -6.301 8.692 1.00 1.00 N ATOM 1228 CD2 HIS A 92 -7.184 -7.594 9.465 1.00 1.00 C ATOM 1229 CE1 HIS A 92 -9.277 -7.098 9.643 1.00 1.00 C ATOM 1230 NE2 HIS A 92 -8.346 -7.908 10.148 1.00 1.00 N ATOM 0 H HIS A 92 -7.214 -5.670 4.333 1.00 1.00 H new ATOM 0 HA HIS A 92 -5.468 -6.458 5.564 1.00 1.00 H new ATOM 0 HB2 HIS A 92 -5.538 -5.751 8.015 1.00 1.00 H new ATOM 0 HB3 HIS A 92 -6.922 -4.876 7.392 1.00 1.00 H new ATOM 0 HD1 HIS A 92 -9.289 -5.598 8.161 1.00 1.00 H new ATOM 0 HD2 HIS A 92 -6.224 -8.063 9.624 1.00 1.00 H new ATOM 0 HE1 HIS A 92 -10.309 -7.086 9.962 1.00 1.00 H new ATOM 1239 N ALA A 93 -5.291 -8.866 6.336 1.00 1.00 N ATOM 1240 CA ALA A 93 -5.319 -10.361 6.768 1.00 1.00 C ATOM 1241 C ALA A 93 -4.629 -10.511 8.127 1.00 1.00 C ATOM 1242 O ALA A 93 -3.455 -10.868 8.211 1.00 1.00 O ATOM 1243 CB ALA A 93 -4.597 -11.318 5.707 1.00 1.00 C ATOM 0 H ALA A 93 -4.417 -8.539 5.923 1.00 1.00 H new ATOM 0 HA ALA A 93 -6.365 -10.662 6.828 1.00 1.00 H new ATOM 0 HB1 ALA A 93 -4.645 -12.349 6.056 1.00 1.00 H new ATOM 0 HB2 ALA A 93 -5.100 -11.238 4.743 1.00 1.00 H new ATOM 0 HB3 ALA A 93 -3.554 -11.019 5.598 1.00 1.00 H new ATOM 1249 N ALA A 94 -5.379 -10.224 9.180 1.00 1.00 N ATOM 1250 CA ALA A 94 -4.855 -10.314 10.546 1.00 1.00 C ATOM 1251 C ALA A 94 -4.037 -11.597 10.727 1.00 1.00 C ATOM 1252 O ALA A 94 -4.630 -12.615 11.041 1.00 1.00 O ATOM 1253 CB ALA A 94 -6.039 -10.298 11.566 1.00 1.00 C ATOM 0 H ALA A 94 -6.353 -9.926 9.121 1.00 1.00 H new ATOM 0 HA ALA A 94 -4.205 -9.458 10.726 1.00 1.00 H new ATOM 0 HB1 ALA A 94 -5.646 -10.365 12.581 1.00 1.00 H new ATOM 0 HB2 ALA A 94 -6.602 -9.371 11.455 1.00 1.00 H new ATOM 0 HB3 ALA A 94 -6.696 -11.147 11.374 1.00 1.00 H new TER 1259 ALA A 94