USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 553 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 -112:sc= -0.193 USER MOD Set 1.2: A 87 GLN : amide:sc= -11! C(o=-11!,f=-25!) USER MOD Set 2.1: A 66 ASN : amide:sc= -9.81! C(o=-14!,f=-14!) USER MOD Set 2.2: A 73 GLN : amide:sc= -4.43 K(o=-14,f=-16!) USER MOD Set 3.1: A 69 SER OG : rot -52:sc= -1.21 USER MOD Set 3.2: A 70 ASN : amide:sc= -1.68 K(o=-2.9,f=-5.9!) USER MOD Set 4.1: A 31 THR OG1 : rot 157:sc= -7.98! USER MOD Set 4.2: A 39 GLN : amide:sc= -6.48! C(o=-14!,f=-19!) USER MOD Set 5.1: A 1 GLY N :NH3+ -141:sc= -14.8! (180deg=-11.1!) USER MOD Set 5.2: A 22 ASN : amide:sc= -6.67! C(o=-52!,f=-50!) USER MOD Set 5.3: A 23 ASN : amide:sc= -30.9! C(o=-52!,f=-62!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 33:sc= 0.862 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.134 X(o=-0.13,f=-0.33) USER MOD Single : A 12 ASN : amide:sc= -2.88! C(o=-2.9!,f=-5.7!) USER MOD Single : A 13 ASN : amide:sc= -1.4 K(o=-1.4,f=-3.1!) USER MOD Single : A 18 ASN : amide:sc= -7.76! C(o=-7.8!,f=-19!) USER MOD Single : A 21 SER OG : rot 32:sc= 0.884 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot -4:sc= 0.999 USER MOD Single : A 34 SER OG : rot -48:sc= 0.0641 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 74:sc= 0.97 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -172:sc= -2.23! (180deg=-2.34!) USER MOD Single : A 53 THR OG1 : rot -155:sc= -6.05! USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -150:sc= -0.0703 (180deg=-0.554) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HE2:sc= -6.54! C(o=-6.5!,f=-7.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.388 -5.779 4.179 1.00 1.00 N ATOM 2 CA GLY A 1 6.634 -6.827 3.640 1.00 1.00 C ATOM 3 C GLY A 1 6.250 -7.806 4.681 1.00 1.00 C ATOM 4 O GLY A 1 7.134 -8.308 5.385 1.00 1.00 O ATOM 0 H1 GLY A 1 7.109 -4.884 3.730 1.00 1.00 H new ATOM 0 H2 GLY A 1 7.218 -5.720 5.203 1.00 1.00 H new ATOM 0 H3 GLY A 1 8.398 -5.953 4.005 1.00 1.00 H new ATOM 0 HA2 GLY A 1 5.738 -6.426 3.167 1.00 1.00 H new ATOM 0 HA3 GLY A 1 7.209 -7.328 2.861 1.00 1.00 H new ATOM 10 N SER A 2 4.949 -8.291 4.686 1.00 1.00 N ATOM 11 CA SER A 2 4.642 -9.405 5.523 1.00 1.00 C ATOM 12 C SER A 2 3.550 -10.094 4.894 1.00 1.00 C ATOM 13 O SER A 2 3.730 -11.183 4.333 1.00 1.00 O ATOM 14 CB SER A 2 4.375 -9.003 6.920 1.00 1.00 C ATOM 15 OG SER A 2 4.615 -10.089 7.801 1.00 1.00 O ATOM 0 H SER A 2 4.174 -7.919 4.136 1.00 1.00 H new ATOM 0 HA SER A 2 5.494 -10.078 5.616 1.00 1.00 H new ATOM 0 HB2 SER A 2 5.010 -8.160 7.190 1.00 1.00 H new ATOM 0 HB3 SER A 2 3.342 -8.668 7.018 1.00 1.00 H new ATOM 0 HG SER A 2 4.436 -9.808 8.723 1.00 1.00 H new ATOM 21 N GLY A 3 2.444 -9.567 4.982 1.00 1.00 N ATOM 22 CA GLY A 3 1.312 -10.177 4.411 1.00 1.00 C ATOM 23 C GLY A 3 0.326 -9.177 4.025 1.00 1.00 C ATOM 24 O GLY A 3 0.498 -8.007 4.286 1.00 1.00 O ATOM 0 H GLY A 3 2.262 -8.682 5.456 1.00 1.00 H new ATOM 0 HA2 GLY A 3 1.608 -10.759 3.538 1.00 1.00 H new ATOM 0 HA3 GLY A 3 0.870 -10.874 5.123 1.00 1.00 H new ATOM 28 N PRO A 4 -0.743 -9.598 3.426 1.00 1.00 N ATOM 29 CA PRO A 4 -1.815 -8.671 3.018 1.00 1.00 C ATOM 30 C PRO A 4 -2.265 -8.055 4.136 1.00 1.00 C ATOM 31 O PRO A 4 -3.195 -8.538 4.755 1.00 1.00 O ATOM 32 CB PRO A 4 -2.891 -9.574 2.401 1.00 1.00 C ATOM 33 CG PRO A 4 -2.527 -10.980 2.845 1.00 1.00 C ATOM 34 CD PRO A 4 -1.027 -10.970 3.093 1.00 1.00 C ATOM 0 HA PRO A 4 -1.505 -7.902 2.311 1.00 1.00 H new ATOM 0 HB2 PRO A 4 -3.886 -9.296 2.748 1.00 1.00 H new ATOM 0 HB3 PRO A 4 -2.898 -9.493 1.314 1.00 1.00 H new ATOM 0 HG2 PRO A 4 -3.069 -11.256 3.749 1.00 1.00 H new ATOM 0 HG3 PRO A 4 -2.791 -11.711 2.080 1.00 1.00 H new ATOM 0 HD2 PRO A 4 -0.751 -11.644 3.904 1.00 1.00 H new ATOM 0 HD3 PRO A 4 -0.473 -11.290 2.210 1.00 1.00 H new ATOM 42 N THR A 5 -1.682 -7.019 4.490 1.00 1.00 N ATOM 43 CA THR A 5 -2.034 -6.360 5.644 1.00 1.00 C ATOM 44 C THR A 5 -0.925 -5.595 6.176 1.00 1.00 C ATOM 45 O THR A 5 -1.160 -4.803 6.950 1.00 1.00 O ATOM 46 CB THR A 5 -2.438 -7.318 6.831 1.00 1.00 C ATOM 47 OG1 THR A 5 -2.199 -6.656 8.084 1.00 1.00 O ATOM 48 CG2 THR A 5 -1.635 -8.688 6.828 1.00 1.00 C ATOM 0 H THR A 5 -0.919 -6.586 3.970 1.00 1.00 H new ATOM 0 HA THR A 5 -2.879 -5.744 5.335 1.00 1.00 H new ATOM 0 HB THR A 5 -3.494 -7.551 6.697 1.00 1.00 H new ATOM 0 HG1 THR A 5 -2.352 -5.694 7.980 1.00 1.00 H new ATOM 0 HG21 THR A 5 -1.959 -9.302 7.669 1.00 1.00 H new ATOM 0 HG22 THR A 5 -1.826 -9.220 5.896 1.00 1.00 H new ATOM 0 HG23 THR A 5 -0.568 -8.484 6.917 1.00 1.00 H new ATOM 56 N TYR A 6 0.498 -6.035 5.923 1.00 1.00 N ATOM 57 CA TYR A 6 1.558 -5.365 6.679 1.00 1.00 C ATOM 58 C TYR A 6 1.370 -4.161 6.891 1.00 1.00 C ATOM 59 O TYR A 6 1.885 -3.588 7.883 1.00 1.00 O ATOM 60 CB TYR A 6 2.962 -5.530 6.256 1.00 1.00 C ATOM 61 CG TYR A 6 3.889 -5.175 7.699 1.00 1.00 C ATOM 62 CD1 TYR A 6 4.100 -6.184 8.664 1.00 1.00 C ATOM 63 CD2 TYR A 6 4.416 -3.860 7.988 1.00 1.00 C ATOM 64 CE1 TYR A 6 4.811 -5.914 9.840 1.00 1.00 C ATOM 65 CE2 TYR A 6 5.122 -3.627 9.171 1.00 1.00 C ATOM 66 CZ TYR A 6 5.320 -4.650 10.083 1.00 1.00 C ATOM 67 OH TYR A 6 6.019 -4.405 11.246 1.00 1.00 O ATOM 0 H TYR A 6 0.796 -6.760 5.271 1.00 1.00 H new ATOM 0 HA TYR A 6 1.449 -5.949 7.593 1.00 1.00 H new ATOM 0 HB2 TYR A 6 3.154 -6.541 5.898 1.00 1.00 H new ATOM 0 HB3 TYR A 6 3.215 -4.850 5.442 1.00 1.00 H new ATOM 0 HD1 TYR A 6 3.708 -7.176 8.493 1.00 1.00 H new ATOM 0 HD2 TYR A 6 4.263 -3.054 7.286 1.00 1.00 H new ATOM 0 HE1 TYR A 6 4.964 -6.700 10.565 1.00 1.00 H new ATOM 0 HE2 TYR A 6 5.516 -2.642 9.375 1.00 1.00 H new ATOM 0 HH TYR A 6 6.309 -3.469 11.262 1.00 1.00 H new ATOM 77 N CYS A 7 0.604 -3.602 6.093 1.00 1.00 N ATOM 78 CA CYS A 7 0.309 -2.363 6.277 1.00 1.00 C ATOM 79 C CYS A 7 1.405 -1.469 6.475 1.00 1.00 C ATOM 80 O CYS A 7 1.404 -0.685 7.434 1.00 1.00 O ATOM 81 CB CYS A 7 -0.574 -2.297 7.469 1.00 1.00 C ATOM 82 SG CYS A 7 -1.201 -0.553 7.745 1.00 1.00 S ATOM 0 H CYS A 7 0.173 -4.044 5.281 1.00 1.00 H new ATOM 0 HA CYS A 7 -0.157 -2.024 5.352 1.00 1.00 H new ATOM 0 HB2 CYS A 7 -1.418 -2.974 7.339 1.00 1.00 H new ATOM 0 HB3 CYS A 7 -0.028 -2.634 8.350 1.00 1.00 H new ATOM 87 N TRP A 8 2.328 -1.516 5.605 1.00 1.00 N ATOM 88 CA TRP A 8 3.413 -0.549 5.725 1.00 1.00 C ATOM 89 C TRP A 8 2.685 0.748 6.090 1.00 1.00 C ATOM 90 O TRP A 8 1.925 1.201 5.275 1.00 1.00 O ATOM 91 CB TRP A 8 4.082 -0.328 4.469 1.00 1.00 C ATOM 92 CG TRP A 8 5.308 0.707 4.712 1.00 1.00 C ATOM 93 CD1 TRP A 8 5.599 1.879 3.979 1.00 1.00 C ATOM 94 CD2 TRP A 8 6.365 0.670 5.804 1.00 1.00 C ATOM 95 NE1 TRP A 8 6.759 2.454 4.486 1.00 1.00 N ATOM 96 CE2 TRP A 8 7.243 1.773 5.624 1.00 1.00 C ATOM 97 CE3 TRP A 8 6.652 -0.223 6.915 1.00 1.00 C ATOM 98 CZ2 TRP A 8 8.329 1.991 6.492 1.00 1.00 C ATOM 99 CZ3 TRP A 8 7.739 0.026 7.765 1.00 1.00 C ATOM 100 CH2 TRP A 8 8.564 1.123 7.558 1.00 1.00 C ATOM 0 H TRP A 8 2.386 -2.169 4.824 1.00 1.00 H new ATOM 0 HA TRP A 8 4.165 -0.885 6.439 1.00 1.00 H new ATOM 0 HB2 TRP A 8 4.456 -1.270 4.068 1.00 1.00 H new ATOM 0 HB3 TRP A 8 3.385 0.076 3.735 1.00 1.00 H new ATOM 0 HD1 TRP A 8 5.015 2.266 3.157 1.00 1.00 H new ATOM 0 HE1 TRP A 8 7.209 3.275 4.081 1.00 1.00 H new ATOM 0 HE3 TRP A 8 6.023 -1.084 7.087 1.00 1.00 H new ATOM 0 HZ2 TRP A 8 8.984 2.835 6.332 1.00 1.00 H new ATOM 0 HZ3 TRP A 8 7.936 -0.643 8.590 1.00 1.00 H new ATOM 0 HH2 TRP A 8 9.393 1.305 8.226 1.00 1.00 H new ATOM 111 N ASN A 9 2.763 1.273 7.325 1.00 1.00 N ATOM 112 CA ASN A 9 1.926 2.404 7.687 1.00 1.00 C ATOM 113 C ASN A 9 1.599 3.322 6.604 1.00 1.00 C ATOM 114 O ASN A 9 0.471 3.808 6.509 1.00 1.00 O ATOM 115 CB ASN A 9 2.556 3.165 8.843 1.00 1.00 C ATOM 116 CG ASN A 9 2.734 2.238 10.043 1.00 1.00 C ATOM 117 OD1 ASN A 9 1.800 1.534 10.429 1.00 1.00 O ATOM 118 ND2 ASN A 9 3.885 2.195 10.657 1.00 1.00 N ATOM 0 H ASN A 9 3.382 0.937 8.063 1.00 1.00 H new ATOM 0 HA ASN A 9 0.971 1.965 7.977 1.00 1.00 H new ATOM 0 HB2 ASN A 9 3.521 3.570 8.539 1.00 1.00 H new ATOM 0 HB3 ASN A 9 1.927 4.012 9.117 1.00 1.00 H new ATOM 0 HD21 ASN A 9 4.013 1.577 11.459 1.00 1.00 H new ATOM 0 HD22 ASN A 9 4.657 2.779 10.335 1.00 1.00 H new ATOM 125 N GLU A 10 2.490 3.576 5.844 1.00 1.00 N ATOM 126 CA GLU A 10 2.302 4.480 4.754 1.00 1.00 C ATOM 127 C GLU A 10 1.582 5.753 5.163 1.00 1.00 C ATOM 128 O GLU A 10 0.590 6.168 4.540 1.00 1.00 O ATOM 129 CB GLU A 10 1.568 3.867 3.554 1.00 1.00 C ATOM 130 CG GLU A 10 2.436 2.942 2.873 1.00 1.00 C ATOM 131 CD GLU A 10 1.666 2.171 1.820 1.00 1.00 C ATOM 132 OE1 GLU A 10 1.038 2.809 1.002 1.00 1.00 O ATOM 133 OE2 GLU A 10 1.716 0.950 1.848 1.00 1.00 O ATOM 0 H GLU A 10 3.428 3.180 5.910 1.00 1.00 H new ATOM 0 HA GLU A 10 3.319 4.720 4.444 1.00 1.00 H new ATOM 0 HB2 GLU A 10 0.667 3.354 3.890 1.00 1.00 H new ATOM 0 HB3 GLU A 10 1.251 4.654 2.869 1.00 1.00 H new ATOM 0 HG2 GLU A 10 3.260 3.483 2.407 1.00 1.00 H new ATOM 0 HG3 GLU A 10 2.875 2.250 3.591 1.00 1.00 H new ATOM 140 N ALA A 11 2.142 6.400 6.115 1.00 1.00 N ATOM 141 CA ALA A 11 1.709 7.588 6.497 1.00 1.00 C ATOM 142 C ALA A 11 2.760 8.138 7.353 1.00 1.00 C ATOM 143 O ALA A 11 3.006 7.637 8.447 1.00 1.00 O ATOM 144 CB ALA A 11 0.423 7.540 7.162 1.00 1.00 C ATOM 0 H ALA A 11 2.946 6.057 6.640 1.00 1.00 H new ATOM 0 HA ALA A 11 1.527 8.226 5.632 1.00 1.00 H new ATOM 0 HB1 ALA A 11 0.125 8.548 7.450 1.00 1.00 H new ATOM 0 HB2 ALA A 11 -0.321 7.121 6.485 1.00 1.00 H new ATOM 0 HB3 ALA A 11 0.497 6.915 8.052 1.00 1.00 H new ATOM 150 N ASN A 12 3.311 9.131 6.914 1.00 1.00 N ATOM 151 CA ASN A 12 4.383 9.890 7.635 1.00 1.00 C ATOM 152 C ASN A 12 5.316 10.759 6.568 1.00 1.00 C ATOM 153 O ASN A 12 6.520 10.901 6.747 1.00 1.00 O ATOM 154 CB ASN A 12 5.243 8.897 8.505 1.00 1.00 C ATOM 155 CG ASN A 12 6.668 9.406 8.721 1.00 1.00 C ATOM 156 OD1 ASN A 12 7.631 8.685 8.467 1.00 1.00 O ATOM 157 ND2 ASN A 12 6.857 10.616 9.181 1.00 1.00 N ATOM 0 H ASN A 12 3.080 9.530 6.004 1.00 1.00 H new ATOM 0 HA ASN A 12 3.922 10.613 8.307 1.00 1.00 H new ATOM 0 HB2 ASN A 12 4.760 8.752 9.471 1.00 1.00 H new ATOM 0 HB3 ASN A 12 5.277 7.924 8.016 1.00 1.00 H new ATOM 0 HD21 ASN A 12 7.805 10.963 9.330 1.00 1.00 H new ATOM 0 HD22 ASN A 12 6.057 11.213 9.391 1.00 1.00 H new ATOM 164 N ASN A 13 4.650 11.407 5.526 1.00 1.00 N ATOM 165 CA ASN A 13 5.339 12.285 4.583 1.00 1.00 C ATOM 166 C ASN A 13 4.371 12.733 3.431 1.00 1.00 C ATOM 167 O ASN A 13 3.353 12.096 3.193 1.00 1.00 O ATOM 168 CB ASN A 13 6.565 11.600 3.968 1.00 1.00 C ATOM 169 CG ASN A 13 7.833 12.485 4.087 1.00 1.00 C ATOM 170 OD1 ASN A 13 8.308 13.029 3.091 1.00 1.00 O ATOM 171 ND2 ASN A 13 8.397 12.648 5.252 1.00 1.00 N ATOM 0 H ASN A 13 3.649 11.314 5.352 1.00 1.00 H new ATOM 0 HA ASN A 13 5.670 13.159 5.144 1.00 1.00 H new ATOM 0 HB2 ASN A 13 6.738 10.646 4.467 1.00 1.00 H new ATOM 0 HB3 ASN A 13 6.371 11.380 2.918 1.00 1.00 H new ATOM 0 HD21 ASN A 13 9.232 13.227 5.338 1.00 1.00 H new ATOM 0 HD22 ASN A 13 8.002 12.197 6.077 1.00 1.00 H new ATOM 178 N PRO A 14 4.721 13.811 2.704 1.00 1.00 N ATOM 179 CA PRO A 14 3.922 14.317 1.554 1.00 1.00 C ATOM 180 C PRO A 14 4.313 13.646 0.213 1.00 1.00 C ATOM 181 O PRO A 14 3.440 13.340 -0.598 1.00 1.00 O ATOM 182 CB PRO A 14 4.204 15.838 1.538 1.00 1.00 C ATOM 183 CG PRO A 14 5.258 16.035 2.610 1.00 1.00 C ATOM 184 CD PRO A 14 5.844 14.642 2.903 1.00 1.00 C ATOM 0 HA PRO A 14 2.862 14.088 1.667 1.00 1.00 H new ATOM 0 HB2 PRO A 14 4.563 16.166 0.562 1.00 1.00 H new ATOM 0 HB3 PRO A 14 3.303 16.412 1.756 1.00 1.00 H new ATOM 0 HG2 PRO A 14 6.035 16.720 2.270 1.00 1.00 H new ATOM 0 HG3 PRO A 14 4.821 16.470 3.509 1.00 1.00 H new ATOM 0 HD2 PRO A 14 6.663 14.392 2.228 1.00 1.00 H new ATOM 0 HD3 PRO A 14 6.234 14.567 3.918 1.00 1.00 H new ATOM 192 N GLY A 15 5.581 13.424 -0.004 1.00 1.00 N ATOM 193 CA GLY A 15 6.061 12.756 -1.284 1.00 1.00 C ATOM 194 C GLY A 15 5.582 11.344 -1.302 1.00 1.00 C ATOM 195 O GLY A 15 6.281 10.435 -1.596 1.00 1.00 O ATOM 0 H GLY A 15 6.325 13.674 0.648 1.00 1.00 H new ATOM 0 HA2 GLY A 15 5.683 13.293 -2.154 1.00 1.00 H new ATOM 0 HA3 GLY A 15 7.149 12.785 -1.339 1.00 1.00 H new ATOM 199 N GLY A 16 4.409 11.201 -0.942 1.00 1.00 N ATOM 200 CA GLY A 16 3.799 9.924 -0.820 1.00 1.00 C ATOM 201 C GLY A 16 3.630 9.749 0.629 1.00 1.00 C ATOM 202 O GLY A 16 3.497 10.740 1.318 1.00 1.00 O ATOM 0 H GLY A 16 3.793 11.979 -0.707 1.00 1.00 H new ATOM 0 HA2 GLY A 16 2.842 9.887 -1.341 1.00 1.00 H new ATOM 0 HA3 GLY A 16 4.425 9.140 -1.247 1.00 1.00 H new ATOM 206 N PRO A 17 3.633 8.563 1.184 1.00 1.00 N ATOM 207 CA PRO A 17 3.475 8.409 2.669 1.00 1.00 C ATOM 208 C PRO A 17 4.743 8.619 3.271 1.00 1.00 C ATOM 209 O PRO A 17 5.531 9.353 2.723 1.00 1.00 O ATOM 210 CB PRO A 17 3.068 6.909 2.739 1.00 1.00 C ATOM 211 CG PRO A 17 2.788 6.531 1.370 1.00 1.00 C ATOM 212 CD PRO A 17 3.738 7.317 0.577 1.00 1.00 C ATOM 0 HA PRO A 17 2.776 9.085 3.162 1.00 1.00 H new ATOM 0 HB2 PRO A 17 3.870 6.302 3.160 1.00 1.00 H new ATOM 0 HB3 PRO A 17 2.194 6.767 3.374 1.00 1.00 H new ATOM 0 HG2 PRO A 17 2.930 5.461 1.215 1.00 1.00 H new ATOM 0 HG3 PRO A 17 1.758 6.759 1.097 1.00 1.00 H new ATOM 0 HD2 PRO A 17 4.750 6.917 0.633 1.00 1.00 H new ATOM 0 HD3 PRO A 17 3.465 7.349 -0.478 1.00 1.00 H new ATOM 220 N ASN A 18 5.043 7.886 4.479 1.00 1.00 N ATOM 221 CA ASN A 18 6.372 7.962 5.098 1.00 1.00 C ATOM 222 C ASN A 18 7.401 8.004 3.995 1.00 1.00 C ATOM 223 O ASN A 18 8.600 8.063 4.259 1.00 1.00 O ATOM 224 CB ASN A 18 6.657 6.667 6.015 1.00 1.00 C ATOM 225 CG ASN A 18 5.409 5.811 6.138 1.00 1.00 C ATOM 226 OD1 ASN A 18 4.437 6.221 6.739 1.00 1.00 O ATOM 227 ND2 ASN A 18 5.394 4.622 5.598 1.00 1.00 N ATOM 0 H ASN A 18 4.378 7.287 4.968 1.00 1.00 H new ATOM 0 HA ASN A 18 6.422 8.852 5.726 1.00 1.00 H new ATOM 0 HB2 ASN A 18 7.466 6.079 5.581 1.00 1.00 H new ATOM 0 HB3 ASN A 18 6.987 6.982 7.005 1.00 1.00 H new ATOM 0 HD21 ASN A 18 4.564 4.035 5.680 1.00 1.00 H new ATOM 0 HD22 ASN A 18 6.212 4.281 5.094 1.00 1.00 H new ATOM 234 N ARG A 19 6.872 7.880 2.718 1.00 1.00 N ATOM 235 CA ARG A 19 7.592 7.831 1.583 1.00 1.00 C ATOM 236 C ARG A 19 7.984 6.583 1.575 1.00 1.00 C ATOM 237 O ARG A 19 9.052 6.279 2.090 1.00 1.00 O ATOM 238 CB ARG A 19 8.723 8.928 1.560 1.00 1.00 C ATOM 239 CG ARG A 19 8.191 10.187 0.773 1.00 1.00 C ATOM 240 CD ARG A 19 8.797 10.186 -0.666 1.00 1.00 C ATOM 241 NE ARG A 19 10.115 10.854 -0.666 1.00 1.00 N ATOM 242 CZ ARG A 19 10.592 11.444 -1.772 1.00 1.00 C ATOM 243 NH1 ARG A 19 9.896 11.411 -2.878 1.00 1.00 N ATOM 244 NH2 ARG A 19 11.749 12.050 -1.746 1.00 1.00 N ATOM 0 H ARG A 19 5.868 7.816 2.551 1.00 1.00 H new ATOM 0 HA ARG A 19 7.055 8.077 0.667 1.00 1.00 H new ATOM 0 HB2 ARG A 19 8.999 9.207 2.577 1.00 1.00 H new ATOM 0 HB3 ARG A 19 9.621 8.535 1.082 1.00 1.00 H new ATOM 0 HG2 ARG A 19 7.102 10.166 0.722 1.00 1.00 H new ATOM 0 HG3 ARG A 19 8.468 11.102 1.297 1.00 1.00 H new ATOM 0 HD2 ARG A 19 8.901 9.162 -1.024 1.00 1.00 H new ATOM 0 HD3 ARG A 19 8.122 10.697 -1.353 1.00 1.00 H new ATOM 0 HE ARG A 19 10.671 10.867 0.189 1.00 1.00 H new ATOM 0 HH11 ARG A 19 8.993 10.937 -2.898 1.00 1.00 H new ATOM 0 HH12 ARG A 19 10.256 11.859 -3.721 1.00 1.00 H new ATOM 0 HH21 ARG A 19 12.292 12.075 -0.883 1.00 1.00 H new ATOM 0 HH22 ARG A 19 12.109 12.498 -2.589 1.00 1.00 H new ATOM 258 N CYS A 20 6.928 5.621 0.948 1.00 1.00 N ATOM 259 CA CYS A 20 7.098 4.113 0.860 1.00 1.00 C ATOM 260 C CYS A 20 8.507 4.017 1.442 1.00 1.00 C ATOM 261 O CYS A 20 9.427 4.637 0.900 1.00 1.00 O ATOM 262 CB CYS A 20 6.878 3.687 -0.672 1.00 1.00 C ATOM 263 SG CYS A 20 6.931 1.778 -1.076 1.00 1.00 S ATOM 0 H CYS A 20 6.047 5.951 0.554 1.00 1.00 H new ATOM 0 HA CYS A 20 6.416 3.441 1.382 1.00 1.00 H new ATOM 0 HB2 CYS A 20 5.913 4.075 -0.997 1.00 1.00 H new ATOM 0 HB3 CYS A 20 7.640 4.182 -1.274 1.00 1.00 H new ATOM 268 N SER A 21 8.677 3.370 2.506 1.00 1.00 N ATOM 269 CA SER A 21 10.040 3.393 3.193 1.00 1.00 C ATOM 270 C SER A 21 10.616 2.019 3.711 1.00 1.00 C ATOM 271 O SER A 21 11.665 2.000 4.356 1.00 1.00 O ATOM 272 CB SER A 21 9.873 4.386 4.349 1.00 1.00 C ATOM 273 OG SER A 21 10.748 4.043 5.421 1.00 1.00 O ATOM 0 H SER A 21 7.962 2.810 2.971 1.00 1.00 H new ATOM 0 HA SER A 21 10.787 3.673 2.451 1.00 1.00 H new ATOM 0 HB2 SER A 21 10.088 5.397 4.004 1.00 1.00 H new ATOM 0 HB3 SER A 21 8.840 4.381 4.697 1.00 1.00 H new ATOM 0 HG SER A 21 11.567 3.644 5.060 1.00 1.00 H new ATOM 279 N ASN A 22 9.984 0.926 3.399 1.00 1.00 N ATOM 280 CA ASN A 22 10.513 -0.397 3.814 1.00 1.00 C ATOM 281 C ASN A 22 10.070 -1.371 2.899 1.00 1.00 C ATOM 282 O ASN A 22 9.081 -1.219 2.309 1.00 1.00 O ATOM 283 CB ASN A 22 10.045 -0.797 5.204 1.00 1.00 C ATOM 284 CG ASN A 22 11.079 -1.684 5.918 1.00 1.00 C ATOM 285 OD1 ASN A 22 12.266 -1.648 5.592 1.00 1.00 O ATOM 286 ND2 ASN A 22 10.687 -2.486 6.884 1.00 1.00 N ATOM 0 H ASN A 22 9.114 0.893 2.868 1.00 1.00 H new ATOM 0 HA ASN A 22 11.601 -0.327 3.831 1.00 1.00 H new ATOM 0 HB2 ASN A 22 9.861 0.098 5.798 1.00 1.00 H new ATOM 0 HB3 ASN A 22 9.097 -1.330 5.130 1.00 1.00 H new ATOM 0 HD21 ASN A 22 11.366 -3.078 7.363 1.00 1.00 H new ATOM 0 HD22 ASN A 22 9.704 -2.516 7.154 1.00 1.00 H new ATOM 293 N ASN A 23 10.814 -2.468 2.782 1.00 1.00 N ATOM 294 CA ASN A 23 10.422 -3.438 1.928 1.00 1.00 C ATOM 295 C ASN A 23 10.145 -2.780 0.535 1.00 1.00 C ATOM 296 O ASN A 23 9.029 -2.347 0.259 1.00 1.00 O ATOM 297 CB ASN A 23 9.124 -4.146 2.537 1.00 1.00 C ATOM 298 CG ASN A 23 8.725 -3.613 3.850 1.00 1.00 C ATOM 299 OD1 ASN A 23 7.613 -3.343 4.063 1.00 1.00 O ATOM 300 ND2 ASN A 23 9.587 -3.534 4.763 1.00 1.00 N ATOM 0 H ASN A 23 11.678 -2.651 3.292 1.00 1.00 H new ATOM 0 HA ASN A 23 11.188 -4.201 1.793 1.00 1.00 H new ATOM 0 HB2 ASN A 23 8.295 -4.029 1.839 1.00 1.00 H new ATOM 0 HB3 ASN A 23 9.313 -5.215 2.630 1.00 1.00 H new ATOM 0 HD21 ASN A 23 9.313 -3.232 5.698 1.00 1.00 H new ATOM 0 HD22 ASN A 23 10.559 -3.772 4.568 1.00 1.00 H new ATOM 307 N LYS A 24 11.123 -2.656 -0.226 1.00 1.00 N ATOM 308 CA LYS A 24 10.972 -1.954 -1.542 1.00 1.00 C ATOM 309 C LYS A 24 10.241 -0.618 -1.282 1.00 1.00 C ATOM 310 O LYS A 24 9.674 -0.047 -2.188 1.00 1.00 O ATOM 311 CB LYS A 24 10.142 -2.788 -2.576 1.00 1.00 C ATOM 312 CG LYS A 24 11.008 -3.707 -3.419 1.00 1.00 C ATOM 313 CD LYS A 24 10.063 -4.785 -4.096 1.00 1.00 C ATOM 314 CE LYS A 24 10.666 -5.300 -5.415 1.00 1.00 C ATOM 315 NZ LYS A 24 10.242 -4.409 -6.532 1.00 1.00 N ATOM 0 H LYS A 24 12.061 -3.004 -0.027 1.00 1.00 H new ATOM 0 HA LYS A 24 11.965 -1.804 -1.967 1.00 1.00 H new ATOM 0 HB2 LYS A 24 9.399 -3.383 -2.044 1.00 1.00 H new ATOM 0 HB3 LYS A 24 9.597 -2.108 -3.231 1.00 1.00 H new ATOM 0 HG2 LYS A 24 11.541 -3.137 -4.179 1.00 1.00 H new ATOM 0 HG3 LYS A 24 11.761 -4.195 -2.800 1.00 1.00 H new ATOM 0 HD2 LYS A 24 9.910 -5.620 -3.412 1.00 1.00 H new ATOM 0 HD3 LYS A 24 9.084 -4.346 -4.287 1.00 1.00 H new ATOM 0 HE2 LYS A 24 11.754 -5.323 -5.346 1.00 1.00 H new ATOM 0 HE3 LYS A 24 10.336 -6.322 -5.604 1.00 1.00 H new ATOM 0 HZ1 LYS A 24 10.648 -4.755 -7.425 1.00 1.00 H new ATOM 0 HZ2 LYS A 24 9.204 -4.408 -6.601 1.00 1.00 H new ATOM 0 HZ3 LYS A 24 10.577 -3.441 -6.351 1.00 1.00 H new ATOM 329 N GLN A 25 10.293 -0.180 0.026 1.00 1.00 N ATOM 330 CA GLN A 25 9.695 1.031 0.506 1.00 1.00 C ATOM 331 C GLN A 25 8.308 0.824 0.975 1.00 1.00 C ATOM 332 O GLN A 25 7.770 1.665 1.537 1.00 1.00 O ATOM 333 CB GLN A 25 9.789 2.168 -0.564 1.00 1.00 C ATOM 334 CG GLN A 25 11.187 2.848 -0.512 1.00 1.00 C ATOM 335 CD GLN A 25 12.074 2.385 -1.688 1.00 1.00 C ATOM 336 OE1 GLN A 25 13.038 1.645 -1.488 1.00 1.00 O ATOM 337 NE2 GLN A 25 11.792 2.782 -2.900 1.00 1.00 N ATOM 0 H GLN A 25 10.774 -0.703 0.758 1.00 1.00 H new ATOM 0 HA GLN A 25 10.267 1.351 1.377 1.00 1.00 H new ATOM 0 HB2 GLN A 25 9.615 1.756 -1.558 1.00 1.00 H new ATOM 0 HB3 GLN A 25 9.010 2.909 -0.385 1.00 1.00 H new ATOM 0 HG2 GLN A 25 11.070 3.931 -0.545 1.00 1.00 H new ATOM 0 HG3 GLN A 25 11.676 2.609 0.432 1.00 1.00 H new ATOM 0 HE21 GLN A 25 10.993 3.395 -3.063 1.00 1.00 H new ATOM 0 HE22 GLN A 25 12.371 2.479 -3.683 1.00 1.00 H new ATOM 346 N CYS A 26 7.710 -0.299 0.746 1.00 1.00 N ATOM 347 CA CYS A 26 6.282 -0.464 1.238 1.00 1.00 C ATOM 348 C CYS A 26 6.201 -1.488 2.501 1.00 1.00 C ATOM 349 O CYS A 26 6.992 -1.359 3.400 1.00 1.00 O ATOM 350 CB CYS A 26 5.409 -0.790 -0.027 1.00 1.00 C ATOM 351 SG CYS A 26 5.059 0.903 -0.886 1.00 1.00 S ATOM 0 H CYS A 26 8.112 -1.100 0.258 1.00 1.00 H new ATOM 0 HA CYS A 26 5.866 0.442 1.678 1.00 1.00 H new ATOM 0 HB2 CYS A 26 5.935 -1.467 -0.700 1.00 1.00 H new ATOM 0 HB3 CYS A 26 4.479 -1.282 0.257 1.00 1.00 H new ATOM 356 N ASP A 27 5.241 -2.456 2.463 1.00 1.00 N ATOM 357 CA ASP A 27 4.988 -3.474 3.424 1.00 1.00 C ATOM 358 C ASP A 27 3.679 -4.041 3.117 1.00 1.00 C ATOM 359 O ASP A 27 2.751 -3.340 2.711 1.00 1.00 O ATOM 360 CB ASP A 27 5.165 -3.090 4.894 1.00 1.00 C ATOM 361 CG ASP A 27 5.800 -4.281 5.691 1.00 1.00 C ATOM 362 OD1 ASP A 27 5.420 -5.402 5.447 1.00 1.00 O ATOM 363 OD2 ASP A 27 6.651 -4.018 6.526 1.00 1.00 O ATOM 0 H ASP A 27 4.592 -2.515 1.679 1.00 1.00 H new ATOM 0 HA ASP A 27 5.772 -4.225 3.326 1.00 1.00 H new ATOM 0 HB2 ASP A 27 5.802 -2.209 4.973 1.00 1.00 H new ATOM 0 HB3 ASP A 27 4.200 -2.826 5.327 1.00 1.00 H new ATOM 368 N GLY A 28 3.616 -5.360 3.219 1.00 1.00 N ATOM 369 CA GLY A 28 2.473 -6.112 2.875 1.00 1.00 C ATOM 370 C GLY A 28 2.846 -7.512 2.171 1.00 1.00 C ATOM 371 O GLY A 28 2.130 -7.980 1.446 1.00 1.00 O ATOM 0 H GLY A 28 4.393 -5.929 3.555 1.00 1.00 H new ATOM 0 HA2 GLY A 28 1.885 -6.305 3.772 1.00 1.00 H new ATOM 0 HA3 GLY A 28 1.845 -5.527 2.203 1.00 1.00 H new ATOM 375 N ALA A 29 3.996 -8.059 2.473 1.00 1.00 N ATOM 376 CA ALA A 29 4.486 -9.367 1.916 1.00 1.00 C ATOM 377 C ALA A 29 5.805 -9.223 1.360 1.00 1.00 C ATOM 378 O ALA A 29 6.525 -10.205 1.237 1.00 1.00 O ATOM 379 CB ALA A 29 3.502 -10.024 0.862 1.00 1.00 C ATOM 0 H ALA A 29 4.655 -7.628 3.121 1.00 1.00 H new ATOM 0 HA ALA A 29 4.523 -10.055 2.760 1.00 1.00 H new ATOM 0 HB1 ALA A 29 3.925 -10.964 0.506 1.00 1.00 H new ATOM 0 HB2 ALA A 29 2.538 -10.215 1.334 1.00 1.00 H new ATOM 0 HB3 ALA A 29 3.365 -9.346 0.020 1.00 1.00 H new ATOM 385 N ARG A 30 6.145 -8.021 0.957 1.00 1.00 N ATOM 386 CA ARG A 30 7.364 -7.755 0.372 1.00 1.00 C ATOM 387 C ARG A 30 8.593 -8.673 0.840 1.00 1.00 C ATOM 388 O ARG A 30 8.475 -9.343 1.867 1.00 1.00 O ATOM 389 CB ARG A 30 7.958 -6.272 0.959 1.00 1.00 C ATOM 390 CG ARG A 30 8.241 -5.330 -0.268 1.00 1.00 C ATOM 391 CD ARG A 30 6.946 -4.466 -0.666 1.00 1.00 C ATOM 392 NE ARG A 30 6.778 -4.454 -2.142 1.00 1.00 N ATOM 393 CZ ARG A 30 6.991 -3.346 -2.896 1.00 1.00 C ATOM 394 NH1 ARG A 30 7.372 -2.226 -2.351 1.00 1.00 N ATOM 395 NH2 ARG A 30 6.820 -3.402 -4.186 1.00 1.00 N ATOM 0 H ARG A 30 5.540 -7.205 1.046 1.00 1.00 H new ATOM 0 HA ARG A 30 7.134 -7.861 -0.688 1.00 1.00 H new ATOM 0 HB2 ARG A 30 7.233 -5.812 1.631 1.00 1.00 H new ATOM 0 HB3 ARG A 30 8.870 -6.430 1.534 1.00 1.00 H new ATOM 0 HG2 ARG A 30 9.066 -4.659 -0.029 1.00 1.00 H new ATOM 0 HG3 ARG A 30 8.555 -5.930 -1.122 1.00 1.00 H new ATOM 0 HD2 ARG A 30 6.058 -4.887 -0.194 1.00 1.00 H new ATOM 0 HD3 ARG A 30 7.051 -3.446 -0.295 1.00 1.00 H new ATOM 0 HE ARG A 30 6.491 -5.315 -2.608 1.00 1.00 H new ATOM 0 HH11 ARG A 30 7.515 -2.172 -1.342 1.00 1.00 H new ATOM 0 HH12 ARG A 30 7.528 -1.403 -2.933 1.00 1.00 H new ATOM 0 HH21 ARG A 30 6.527 -4.275 -4.624 1.00 1.00 H new ATOM 0 HH22 ARG A 30 6.979 -2.572 -4.758 1.00 1.00 H new ATOM 409 N THR A 31 9.637 -8.689 0.213 1.00 1.00 N ATOM 410 CA THR A 31 10.768 -9.501 0.627 1.00 1.00 C ATOM 411 C THR A 31 12.057 -8.824 0.516 1.00 1.00 C ATOM 412 O THR A 31 12.288 -8.358 -0.389 1.00 1.00 O ATOM 413 CB THR A 31 10.762 -10.623 -0.428 1.00 1.00 C ATOM 414 OG1 THR A 31 11.082 -10.160 -1.698 1.00 1.00 O ATOM 415 CG2 THR A 31 9.346 -11.224 -0.449 1.00 1.00 C ATOM 0 H THR A 31 9.798 -8.146 -0.635 1.00 1.00 H new ATOM 0 HA THR A 31 10.668 -9.795 1.672 1.00 1.00 H new ATOM 0 HB THR A 31 11.517 -11.362 -0.161 1.00 1.00 H new ATOM 0 HG1 THR A 31 11.427 -10.901 -2.239 1.00 1.00 H new ATOM 0 HG21 THR A 31 9.302 -12.025 -1.187 1.00 1.00 H new ATOM 0 HG22 THR A 31 9.106 -11.624 0.536 1.00 1.00 H new ATOM 0 HG23 THR A 31 8.626 -10.449 -0.711 1.00 1.00 H new ATOM 423 N CYS A 32 12.903 -8.759 1.479 1.00 1.00 N ATOM 424 CA CYS A 32 14.260 -7.959 1.162 1.00 1.00 C ATOM 425 C CYS A 32 15.144 -8.794 0.347 1.00 1.00 C ATOM 426 O CYS A 32 14.774 -9.839 -0.156 1.00 1.00 O ATOM 427 CB CYS A 32 15.052 -7.272 2.461 1.00 1.00 C ATOM 428 SG CYS A 32 16.497 -6.288 1.968 1.00 1.00 S ATOM 0 H CYS A 32 12.803 -9.158 2.412 1.00 1.00 H new ATOM 0 HA CYS A 32 13.947 -7.079 0.601 1.00 1.00 H new ATOM 0 HB2 CYS A 32 14.356 -6.637 3.010 1.00 1.00 H new ATOM 0 HB3 CYS A 32 15.371 -8.060 3.144 1.00 1.00 H new ATOM 433 N SER A 33 16.280 -8.337 0.248 1.00 1.00 N ATOM 434 CA SER A 33 17.346 -9.076 -0.551 1.00 1.00 C ATOM 435 C SER A 33 17.972 -10.032 0.278 1.00 1.00 C ATOM 436 O SER A 33 18.835 -10.807 -0.133 1.00 1.00 O ATOM 437 CB SER A 33 18.254 -8.212 -1.221 1.00 1.00 C ATOM 438 OG SER A 33 19.296 -8.976 -1.817 1.00 1.00 O ATOM 0 H SER A 33 16.590 -7.464 0.674 1.00 1.00 H new ATOM 0 HA SER A 33 16.858 -9.607 -1.368 1.00 1.00 H new ATOM 0 HB2 SER A 33 17.728 -7.639 -1.985 1.00 1.00 H new ATOM 0 HB3 SER A 33 18.674 -7.494 -0.517 1.00 1.00 H new ATOM 0 HG SER A 33 19.184 -9.921 -1.582 1.00 1.00 H new ATOM 444 N SER A 34 17.465 -10.084 1.355 1.00 1.00 N ATOM 445 CA SER A 34 17.710 -10.958 2.324 1.00 1.00 C ATOM 446 C SER A 34 16.239 -11.598 2.656 1.00 1.00 C ATOM 447 O SER A 34 16.082 -12.281 3.665 1.00 1.00 O ATOM 448 CB SER A 34 18.235 -10.228 3.505 1.00 1.00 C ATOM 449 OG SER A 34 18.754 -11.157 4.454 1.00 1.00 O ATOM 0 H SER A 34 16.752 -9.409 1.631 1.00 1.00 H new ATOM 0 HA SER A 34 18.441 -11.720 2.055 1.00 1.00 H new ATOM 0 HB2 SER A 34 19.017 -9.533 3.197 1.00 1.00 H new ATOM 0 HB3 SER A 34 17.442 -9.634 3.959 1.00 1.00 H new ATOM 0 HG SER A 34 18.104 -11.877 4.596 1.00 1.00 H new ATOM 455 N SER A 35 15.114 -11.323 1.668 1.00 1.00 N ATOM 456 CA SER A 35 13.841 -11.805 1.806 1.00 1.00 C ATOM 457 C SER A 35 13.202 -11.193 2.914 1.00 1.00 C ATOM 458 O SER A 35 12.011 -11.375 3.162 1.00 1.00 O ATOM 459 CB SER A 35 13.839 -13.235 1.976 1.00 1.00 C ATOM 460 OG SER A 35 14.611 -13.841 0.946 1.00 1.00 O ATOM 0 H SER A 35 15.242 -10.755 0.831 1.00 1.00 H new ATOM 0 HA SER A 35 13.294 -11.566 0.894 1.00 1.00 H new ATOM 0 HB2 SER A 35 14.249 -13.496 2.952 1.00 1.00 H new ATOM 0 HB3 SER A 35 12.817 -13.613 1.948 1.00 1.00 H new ATOM 0 HG SER A 35 14.609 -14.814 1.065 1.00 1.00 H new ATOM 466 N GLY A 36 13.984 -10.463 3.627 1.00 1.00 N ATOM 467 CA GLY A 36 13.518 -9.821 4.748 1.00 1.00 C ATOM 468 C GLY A 36 12.352 -9.050 4.385 1.00 1.00 C ATOM 469 O GLY A 36 11.227 -9.433 4.693 1.00 1.00 O ATOM 0 H GLY A 36 14.972 -10.309 3.425 1.00 1.00 H new ATOM 0 HA2 GLY A 36 13.266 -10.546 5.522 1.00 1.00 H new ATOM 0 HA3 GLY A 36 14.289 -9.170 5.159 1.00 1.00 H new ATOM 473 N PHE A 37 12.573 -7.958 3.759 1.00 1.00 N ATOM 474 CA PHE A 37 11.591 -7.161 3.403 1.00 1.00 C ATOM 475 C PHE A 37 12.194 -6.010 2.667 1.00 1.00 C ATOM 476 O PHE A 37 12.435 -5.006 3.293 1.00 1.00 O ATOM 477 CB PHE A 37 10.843 -6.617 4.744 1.00 1.00 C ATOM 478 CG PHE A 37 11.879 -6.163 5.837 1.00 1.00 C ATOM 479 CD1 PHE A 37 12.385 -7.097 6.760 1.00 1.00 C ATOM 480 CD2 PHE A 37 12.316 -4.792 5.920 1.00 1.00 C ATOM 481 CE1 PHE A 37 13.304 -6.694 7.739 1.00 1.00 C ATOM 482 CE2 PHE A 37 13.233 -4.413 6.904 1.00 1.00 C ATOM 483 CZ PHE A 37 13.727 -5.359 7.807 1.00 1.00 C ATOM 0 H PHE A 37 13.502 -7.629 3.494 1.00 1.00 H new ATOM 0 HA PHE A 37 10.868 -7.681 2.775 1.00 1.00 H new ATOM 0 HB2 PHE A 37 10.194 -5.780 4.486 1.00 1.00 H new ATOM 0 HB3 PHE A 37 10.205 -7.402 5.150 1.00 1.00 H new ATOM 0 HD1 PHE A 37 12.064 -8.127 6.714 1.00 1.00 H new ATOM 0 HD2 PHE A 37 11.936 -4.059 5.223 1.00 1.00 H new ATOM 0 HE1 PHE A 37 13.688 -7.416 8.445 1.00 1.00 H new ATOM 0 HE2 PHE A 37 13.561 -3.386 6.967 1.00 1.00 H new ATOM 0 HZ PHE A 37 14.439 -5.060 8.562 1.00 1.00 H new ATOM 493 N CYS A 38 12.517 -6.091 1.240 1.00 1.00 N ATOM 494 CA CYS A 38 13.100 -4.943 0.506 1.00 1.00 C ATOM 495 C CYS A 38 13.205 -5.246 -0.935 1.00 1.00 C ATOM 496 O CYS A 38 13.916 -4.604 -1.709 1.00 1.00 O ATOM 497 CB CYS A 38 14.461 -4.438 1.092 1.00 1.00 C ATOM 498 SG CYS A 38 15.825 -5.336 0.402 1.00 1.00 S ATOM 0 H CYS A 38 12.366 -6.923 0.669 1.00 1.00 H new ATOM 0 HA CYS A 38 12.408 -4.112 0.641 1.00 1.00 H new ATOM 0 HB2 CYS A 38 14.578 -3.375 0.883 1.00 1.00 H new ATOM 0 HB3 CYS A 38 14.458 -4.551 2.176 1.00 1.00 H new ATOM 503 N GLN A 39 12.539 -6.244 -1.233 1.00 1.00 N ATOM 504 CA GLN A 39 12.454 -6.843 -2.507 1.00 1.00 C ATOM 505 C GLN A 39 11.227 -7.660 -2.516 1.00 1.00 C ATOM 506 O GLN A 39 10.834 -8.054 -1.574 1.00 1.00 O ATOM 507 CB GLN A 39 13.785 -7.700 -2.679 1.00 1.00 C ATOM 508 CG GLN A 39 13.602 -9.204 -2.564 1.00 1.00 C ATOM 509 CD GLN A 39 12.762 -9.741 -3.733 1.00 1.00 C ATOM 510 OE1 GLN A 39 12.223 -10.846 -3.655 1.00 1.00 O ATOM 511 NE2 GLN A 39 12.622 -9.019 -4.815 1.00 1.00 N ATOM 0 H GLN A 39 11.972 -6.732 -0.540 1.00 1.00 H new ATOM 0 HA GLN A 39 12.387 -6.140 -3.338 1.00 1.00 H new ATOM 0 HB2 GLN A 39 14.220 -7.476 -3.653 1.00 1.00 H new ATOM 0 HB3 GLN A 39 14.505 -7.379 -1.927 1.00 1.00 H new ATOM 0 HG2 GLN A 39 14.576 -9.694 -2.554 1.00 1.00 H new ATOM 0 HG3 GLN A 39 13.115 -9.445 -1.619 1.00 1.00 H new ATOM 0 HE21 GLN A 39 13.069 -8.104 -4.879 1.00 1.00 H new ATOM 0 HE22 GLN A 39 12.066 -9.371 -5.595 1.00 1.00 H new ATOM 520 N GLY A 40 10.595 -7.832 -3.605 1.00 1.00 N ATOM 521 CA GLY A 40 9.342 -8.652 -3.594 1.00 1.00 C ATOM 522 C GLY A 40 8.071 -7.946 -3.888 1.00 1.00 C ATOM 523 O GLY A 40 7.823 -7.543 -5.024 1.00 1.00 O ATOM 0 H GLY A 40 10.868 -7.454 -4.512 1.00 1.00 H new ATOM 0 HA2 GLY A 40 9.458 -9.457 -4.320 1.00 1.00 H new ATOM 0 HA3 GLY A 40 9.251 -9.118 -2.613 1.00 1.00 H new ATOM 527 N THR A 41 7.151 -7.872 -2.838 1.00 1.00 N ATOM 528 CA THR A 41 5.816 -7.290 -3.073 1.00 1.00 C ATOM 529 C THR A 41 5.052 -6.695 -1.808 1.00 1.00 C ATOM 530 O THR A 41 4.911 -7.329 -0.814 1.00 1.00 O ATOM 531 CB THR A 41 4.956 -8.447 -3.661 1.00 1.00 C ATOM 532 OG1 THR A 41 3.987 -7.913 -4.543 1.00 1.00 O ATOM 533 CG2 THR A 41 4.259 -9.233 -2.567 1.00 1.00 C ATOM 0 H THR A 41 7.324 -8.196 -1.886 1.00 1.00 H new ATOM 0 HA THR A 41 5.959 -6.427 -3.723 1.00 1.00 H new ATOM 0 HB THR A 41 5.622 -9.124 -4.196 1.00 1.00 H new ATOM 0 HG1 THR A 41 3.446 -8.641 -4.915 1.00 1.00 H new ATOM 0 HG21 THR A 41 3.668 -10.032 -3.014 1.00 1.00 H new ATOM 0 HG22 THR A 41 5.004 -9.663 -1.897 1.00 1.00 H new ATOM 0 HG23 THR A 41 3.604 -8.569 -2.003 1.00 1.00 H new ATOM 541 N SER A 42 4.494 -5.609 -1.976 1.00 1.00 N ATOM 542 CA SER A 42 3.637 -5.023 -0.929 1.00 1.00 C ATOM 543 C SER A 42 2.292 -5.513 -1.137 1.00 1.00 C ATOM 544 O SER A 42 1.453 -4.804 -1.686 1.00 1.00 O ATOM 545 CB SER A 42 3.656 -3.530 -1.012 1.00 1.00 C ATOM 546 OG SER A 42 2.972 -3.108 -2.190 1.00 1.00 O ATOM 0 H SER A 42 4.576 -5.047 -2.823 1.00 1.00 H new ATOM 0 HA SER A 42 4.002 -5.308 0.058 1.00 1.00 H new ATOM 0 HB2 SER A 42 3.181 -3.101 -0.130 1.00 1.00 H new ATOM 0 HB3 SER A 42 4.685 -3.170 -1.028 1.00 1.00 H new ATOM 0 HG SER A 42 2.006 -3.221 -2.066 1.00 1.00 H new ATOM 552 N ARG A 43 2.022 -6.804 -0.736 1.00 1.00 N ATOM 553 CA ARG A 43 0.698 -7.427 -0.942 1.00 1.00 C ATOM 554 C ARG A 43 -0.029 -6.904 -2.047 1.00 1.00 C ATOM 555 O ARG A 43 -1.029 -6.272 -1.866 1.00 1.00 O ATOM 556 CB ARG A 43 -0.166 -7.419 0.321 1.00 1.00 C ATOM 557 CG ARG A 43 -0.280 -5.942 0.992 1.00 1.00 C ATOM 558 CD ARG A 43 -1.626 -5.221 0.463 1.00 1.00 C ATOM 559 NE ARG A 43 -2.133 -4.351 1.489 1.00 1.00 N ATOM 560 CZ ARG A 43 -1.415 -3.326 1.928 1.00 1.00 C ATOM 561 NH1 ARG A 43 -0.242 -3.076 1.408 1.00 1.00 N ATOM 562 NH2 ARG A 43 -1.878 -2.567 2.861 1.00 1.00 N ATOM 0 H ARG A 43 2.703 -7.409 -0.278 1.00 1.00 H new ATOM 0 HA ARG A 43 0.932 -8.463 -1.187 1.00 1.00 H new ATOM 0 HB2 ARG A 43 -1.165 -7.781 0.076 1.00 1.00 H new ATOM 0 HB3 ARG A 43 0.255 -8.113 1.049 1.00 1.00 H new ATOM 0 HG2 ARG A 43 -0.300 -6.024 2.079 1.00 1.00 H new ATOM 0 HG3 ARG A 43 0.593 -5.343 0.733 1.00 1.00 H new ATOM 0 HD2 ARG A 43 -1.415 -4.651 -0.442 1.00 1.00 H new ATOM 0 HD3 ARG A 43 -2.374 -5.969 0.202 1.00 1.00 H new ATOM 0 HE ARG A 43 -3.057 -4.524 1.885 1.00 1.00 H new ATOM 0 HH11 ARG A 43 0.123 -3.670 0.663 1.00 1.00 H new ATOM 0 HH12 ARG A 43 0.309 -2.287 1.747 1.00 1.00 H new ATOM 0 HH21 ARG A 43 -2.797 -2.755 3.262 1.00 1.00 H new ATOM 0 HH22 ARG A 43 -1.326 -1.779 3.198 1.00 1.00 H new ATOM 576 N LYS A 44 0.409 -7.278 -3.295 1.00 1.00 N ATOM 577 CA LYS A 44 -0.341 -6.895 -4.467 1.00 1.00 C ATOM 578 C LYS A 44 -1.684 -7.096 -4.171 1.00 1.00 C ATOM 579 O LYS A 44 -2.089 -8.198 -4.155 1.00 1.00 O ATOM 580 CB LYS A 44 0.028 -7.752 -5.672 1.00 1.00 C ATOM 581 CG LYS A 44 -0.896 -7.336 -6.864 1.00 1.00 C ATOM 582 CD LYS A 44 -0.384 -7.971 -8.180 1.00 1.00 C ATOM 583 CE LYS A 44 -1.479 -7.875 -9.288 1.00 1.00 C ATOM 584 NZ LYS A 44 -1.266 -8.957 -10.294 1.00 1.00 N ATOM 0 H LYS A 44 1.251 -7.824 -3.477 1.00 1.00 H new ATOM 0 HA LYS A 44 -0.123 -5.857 -4.717 1.00 1.00 H new ATOM 0 HB2 LYS A 44 1.076 -7.609 -5.935 1.00 1.00 H new ATOM 0 HB3 LYS A 44 -0.101 -8.809 -5.441 1.00 1.00 H new ATOM 0 HG2 LYS A 44 -1.919 -7.657 -6.670 1.00 1.00 H new ATOM 0 HG3 LYS A 44 -0.915 -6.250 -6.958 1.00 1.00 H new ATOM 0 HD2 LYS A 44 0.522 -7.462 -8.509 1.00 1.00 H new ATOM 0 HD3 LYS A 44 -0.119 -9.015 -8.010 1.00 1.00 H new ATOM 0 HE2 LYS A 44 -2.470 -7.967 -8.844 1.00 1.00 H new ATOM 0 HE3 LYS A 44 -1.436 -6.900 -9.773 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 -1.996 -8.893 -11.032 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 -0.326 -8.849 -10.726 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 -1.328 -9.884 -9.826 1.00 1.00 H new ATOM 598 N PRO A 45 -2.489 -6.016 -3.888 1.00 1.00 N ATOM 599 CA PRO A 45 -3.900 -6.184 -3.608 1.00 1.00 C ATOM 600 C PRO A 45 -4.441 -6.890 -4.763 1.00 1.00 C ATOM 601 O PRO A 45 -5.196 -6.361 -5.573 1.00 1.00 O ATOM 602 CB PRO A 45 -4.408 -4.763 -3.473 1.00 1.00 C ATOM 603 CG PRO A 45 -3.220 -4.028 -3.043 1.00 1.00 C ATOM 604 CD PRO A 45 -2.114 -4.625 -3.806 1.00 1.00 C ATOM 0 HA PRO A 45 -4.167 -6.751 -2.716 1.00 1.00 H new ATOM 0 HB2 PRO A 45 -4.798 -4.383 -4.417 1.00 1.00 H new ATOM 0 HB3 PRO A 45 -5.214 -4.690 -2.743 1.00 1.00 H new ATOM 0 HG2 PRO A 45 -3.316 -2.963 -3.253 1.00 1.00 H new ATOM 0 HG3 PRO A 45 -3.060 -4.128 -1.970 1.00 1.00 H new ATOM 0 HD2 PRO A 45 -2.016 -4.175 -4.794 1.00 1.00 H new ATOM 0 HD3 PRO A 45 -1.158 -4.494 -3.300 1.00 1.00 H new ATOM 612 N ASP A 46 -3.929 -8.079 -4.900 1.00 1.00 N ATOM 613 CA ASP A 46 -4.213 -8.888 -6.030 1.00 1.00 C ATOM 614 C ASP A 46 -5.605 -9.581 -5.890 1.00 1.00 C ATOM 615 O ASP A 46 -6.202 -9.551 -4.815 1.00 1.00 O ATOM 616 CB ASP A 46 -3.029 -10.009 -6.317 1.00 1.00 C ATOM 617 CG ASP A 46 -3.553 -11.453 -6.113 1.00 1.00 C ATOM 618 OD1 ASP A 46 -4.225 -11.687 -5.126 1.00 1.00 O ATOM 619 OD2 ASP A 46 -3.265 -12.289 -6.958 1.00 1.00 O ATOM 0 H ASP A 46 -3.300 -8.509 -4.222 1.00 1.00 H new ATOM 0 HA ASP A 46 -4.242 -8.222 -6.892 1.00 1.00 H new ATOM 0 HB2 ASP A 46 -2.658 -9.896 -7.336 1.00 1.00 H new ATOM 0 HB3 ASP A 46 -2.186 -9.829 -5.650 1.00 1.00 H new ATOM 624 N PRO A 47 -6.115 -10.234 -6.961 1.00 1.00 N ATOM 625 CA PRO A 47 -7.433 -10.953 -6.902 1.00 1.00 C ATOM 626 C PRO A 47 -7.364 -12.223 -5.984 1.00 1.00 C ATOM 627 O PRO A 47 -7.512 -13.356 -6.446 1.00 1.00 O ATOM 628 CB PRO A 47 -7.723 -11.332 -8.403 1.00 1.00 C ATOM 629 CG PRO A 47 -6.711 -10.553 -9.216 1.00 1.00 C ATOM 630 CD PRO A 47 -5.508 -10.344 -8.306 1.00 1.00 C ATOM 0 HA PRO A 47 -8.222 -10.341 -6.466 1.00 1.00 H new ATOM 0 HB2 PRO A 47 -7.616 -12.405 -8.565 1.00 1.00 H new ATOM 0 HB3 PRO A 47 -8.742 -11.067 -8.685 1.00 1.00 H new ATOM 0 HG2 PRO A 47 -6.429 -11.101 -10.115 1.00 1.00 H new ATOM 0 HG3 PRO A 47 -7.124 -9.598 -9.541 1.00 1.00 H new ATOM 0 HD2 PRO A 47 -4.809 -11.178 -8.365 1.00 1.00 H new ATOM 0 HD3 PRO A 47 -4.954 -9.444 -8.572 1.00 1.00 H new ATOM 638 N GLY A 48 -7.158 -11.987 -4.690 1.00 1.00 N ATOM 639 CA GLY A 48 -7.087 -13.065 -3.697 1.00 1.00 C ATOM 640 C GLY A 48 -7.600 -12.512 -2.412 1.00 1.00 C ATOM 641 O GLY A 48 -8.738 -12.769 -2.026 1.00 1.00 O ATOM 0 H GLY A 48 -7.036 -11.053 -4.299 1.00 1.00 H new ATOM 0 HA2 GLY A 48 -7.684 -13.920 -4.014 1.00 1.00 H new ATOM 0 HA3 GLY A 48 -6.062 -13.417 -3.583 1.00 1.00 H new ATOM 645 N PRO A 49 -6.820 -11.669 -1.775 1.00 1.00 N ATOM 646 CA PRO A 49 -7.249 -10.997 -0.585 1.00 1.00 C ATOM 647 C PRO A 49 -8.542 -10.280 -0.865 1.00 1.00 C ATOM 648 O PRO A 49 -9.617 -10.771 -0.509 1.00 1.00 O ATOM 649 CB PRO A 49 -6.084 -9.983 -0.241 1.00 1.00 C ATOM 650 CG PRO A 49 -5.113 -10.042 -1.382 1.00 1.00 C ATOM 651 CD PRO A 49 -5.444 -11.301 -2.172 1.00 1.00 C ATOM 0 HA PRO A 49 -7.433 -11.674 0.250 1.00 1.00 H new ATOM 0 HB2 PRO A 49 -6.474 -8.973 -0.116 1.00 1.00 H new ATOM 0 HB3 PRO A 49 -5.598 -10.255 0.696 1.00 1.00 H new ATOM 0 HG2 PRO A 49 -5.200 -9.156 -2.011 1.00 1.00 H new ATOM 0 HG3 PRO A 49 -4.087 -10.073 -1.016 1.00 1.00 H new ATOM 0 HD2 PRO A 49 -5.381 -11.119 -3.245 1.00 1.00 H new ATOM 0 HD3 PRO A 49 -4.742 -12.103 -1.943 1.00 1.00 H new ATOM 659 N LYS A 50 -8.430 -9.111 -1.509 1.00 1.00 N ATOM 660 CA LYS A 50 -9.581 -8.250 -1.866 1.00 1.00 C ATOM 661 C LYS A 50 -10.192 -7.595 -0.632 1.00 1.00 C ATOM 662 O LYS A 50 -11.414 -7.511 -0.526 1.00 1.00 O ATOM 663 CB LYS A 50 -10.723 -9.193 -2.595 1.00 1.00 C ATOM 664 CG LYS A 50 -10.864 -8.801 -4.198 1.00 1.00 C ATOM 665 CD LYS A 50 -11.801 -7.492 -4.408 1.00 1.00 C ATOM 666 CE LYS A 50 -11.141 -6.219 -3.773 1.00 1.00 C ATOM 667 NZ LYS A 50 -9.754 -6.051 -4.312 1.00 1.00 N ATOM 0 H LYS A 50 -7.532 -8.727 -1.803 1.00 1.00 H new ATOM 0 HA LYS A 50 -9.236 -7.459 -2.532 1.00 1.00 H new ATOM 0 HB2 LYS A 50 -10.453 -10.244 -2.494 1.00 1.00 H new ATOM 0 HB3 LYS A 50 -11.683 -9.061 -2.097 1.00 1.00 H new ATOM 0 HG2 LYS A 50 -9.875 -8.613 -4.616 1.00 1.00 H new ATOM 0 HG3 LYS A 50 -11.287 -9.644 -4.744 1.00 1.00 H new ATOM 0 HD2 LYS A 50 -11.967 -7.327 -5.472 1.00 1.00 H new ATOM 0 HD3 LYS A 50 -12.778 -7.663 -3.956 1.00 1.00 H new ATOM 0 HE2 LYS A 50 -11.739 -5.336 -3.998 1.00 1.00 H new ATOM 0 HE3 LYS A 50 -11.111 -6.315 -2.688 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 -9.270 -5.291 -3.793 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 -9.226 -6.940 -4.196 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 -9.801 -5.806 -5.322 1.00 1.00 H new ATOM 681 N GLY A 51 -9.374 -7.185 0.376 1.00 1.00 N ATOM 682 CA GLY A 51 -9.870 -6.707 1.474 1.00 1.00 C ATOM 683 C GLY A 51 -8.931 -7.079 2.453 1.00 1.00 C ATOM 684 O GLY A 51 -8.262 -6.299 2.894 1.00 1.00 O ATOM 0 H GLY A 51 -8.355 -7.221 0.345 1.00 1.00 H new ATOM 0 HA2 GLY A 51 -9.988 -5.625 1.423 1.00 1.00 H new ATOM 0 HA3 GLY A 51 -10.855 -7.125 1.684 1.00 1.00 H new ATOM 688 N PRO A 52 -8.839 -8.368 2.768 1.00 1.00 N ATOM 689 CA PRO A 52 -7.831 -8.927 3.740 1.00 1.00 C ATOM 690 C PRO A 52 -6.434 -8.205 3.703 1.00 1.00 C ATOM 691 O PRO A 52 -5.489 -8.720 4.135 1.00 1.00 O ATOM 692 CB PRO A 52 -7.687 -10.356 3.277 1.00 1.00 C ATOM 693 CG PRO A 52 -9.053 -10.735 2.764 1.00 1.00 C ATOM 694 CD PRO A 52 -9.705 -9.422 2.251 1.00 1.00 C ATOM 0 HA PRO A 52 -8.164 -8.803 4.770 1.00 1.00 H new ATOM 0 HB2 PRO A 52 -6.933 -10.444 2.495 1.00 1.00 H new ATOM 0 HB3 PRO A 52 -7.377 -11.007 4.094 1.00 1.00 H new ATOM 0 HG2 PRO A 52 -8.977 -11.470 1.963 1.00 1.00 H new ATOM 0 HG3 PRO A 52 -9.654 -11.185 3.554 1.00 1.00 H new ATOM 0 HD2 PRO A 52 -9.753 -9.400 1.162 1.00 1.00 H new ATOM 0 HD3 PRO A 52 -10.726 -9.314 2.617 1.00 1.00 H new ATOM 702 N THR A 53 -6.403 -7.016 3.235 1.00 1.00 N ATOM 703 CA THR A 53 -5.205 -6.206 3.214 1.00 1.00 C ATOM 704 C THR A 53 -5.686 -4.865 3.458 1.00 1.00 C ATOM 705 O THR A 53 -6.857 -4.626 3.280 1.00 1.00 O ATOM 706 CB THR A 53 -4.381 -6.298 1.923 1.00 1.00 C ATOM 707 OG1 THR A 53 -4.337 -5.041 1.298 1.00 1.00 O ATOM 708 CG2 THR A 53 -4.975 -7.314 0.950 1.00 1.00 C ATOM 0 H THR A 53 -7.220 -6.550 2.841 1.00 1.00 H new ATOM 0 HA THR A 53 -4.495 -6.556 3.963 1.00 1.00 H new ATOM 0 HB THR A 53 -3.376 -6.623 2.193 1.00 1.00 H new ATOM 0 HG1 THR A 53 -4.180 -5.158 0.338 1.00 1.00 H new ATOM 0 HG21 THR A 53 -4.366 -7.352 0.047 1.00 1.00 H new ATOM 0 HG22 THR A 53 -4.993 -8.298 1.418 1.00 1.00 H new ATOM 0 HG23 THR A 53 -5.991 -7.017 0.690 1.00 1.00 H new ATOM 716 N TYR A 54 -4.904 -4.007 3.848 1.00 1.00 N ATOM 717 CA TYR A 54 -5.416 -2.635 4.164 1.00 1.00 C ATOM 718 C TYR A 54 -4.428 -1.824 5.011 1.00 1.00 C ATOM 719 O TYR A 54 -3.978 -2.298 6.045 1.00 1.00 O ATOM 720 CB TYR A 54 -6.789 -2.798 5.005 1.00 1.00 C ATOM 721 CG TYR A 54 -6.874 -1.796 6.233 1.00 1.00 C ATOM 722 CD1 TYR A 54 -6.178 -2.081 7.430 1.00 1.00 C ATOM 723 CD2 TYR A 54 -7.636 -0.628 6.143 1.00 1.00 C ATOM 724 CE1 TYR A 54 -6.253 -1.199 8.512 1.00 1.00 C ATOM 725 CE2 TYR A 54 -7.705 0.252 7.238 1.00 1.00 C ATOM 726 CZ TYR A 54 -7.014 -0.037 8.416 1.00 1.00 C ATOM 727 OH TYR A 54 -7.085 0.832 9.488 1.00 1.00 O ATOM 0 H TYR A 54 -3.902 -4.144 3.983 1.00 1.00 H new ATOM 0 HA TYR A 54 -5.566 -2.103 3.225 1.00 1.00 H new ATOM 0 HB2 TYR A 54 -7.639 -2.629 4.343 1.00 1.00 H new ATOM 0 HB3 TYR A 54 -6.868 -3.822 5.370 1.00 1.00 H new ATOM 0 HD1 TYR A 54 -5.587 -2.982 7.509 1.00 1.00 H new ATOM 0 HD2 TYR A 54 -8.172 -0.401 5.233 1.00 1.00 H new ATOM 0 HE1 TYR A 54 -5.719 -1.419 9.425 1.00 1.00 H new ATOM 0 HE2 TYR A 54 -8.294 1.154 7.167 1.00 1.00 H new ATOM 0 HH TYR A 54 -7.656 1.593 9.255 1.00 1.00 H new ATOM 737 N CYS A 55 -4.083 -0.511 4.562 1.00 1.00 N ATOM 738 CA CYS A 55 -3.105 0.353 5.442 1.00 1.00 C ATOM 739 C CYS A 55 -3.534 1.820 5.794 1.00 1.00 C ATOM 740 O CYS A 55 -3.179 2.375 6.834 1.00 1.00 O ATOM 741 CB CYS A 55 -1.763 0.421 4.792 1.00 1.00 C ATOM 742 SG CYS A 55 -0.516 0.625 6.118 1.00 1.00 S ATOM 0 H CYS A 55 -4.418 -0.070 3.705 1.00 1.00 H new ATOM 0 HA CYS A 55 -3.110 -0.180 6.393 1.00 1.00 H new ATOM 0 HB2 CYS A 55 -1.568 -0.486 4.219 1.00 1.00 H new ATOM 0 HB3 CYS A 55 -1.718 1.256 4.092 1.00 1.00 H new ATOM 747 N TRP A 56 -4.245 2.365 4.897 1.00 1.00 N ATOM 748 CA TRP A 56 -4.734 3.627 4.919 1.00 1.00 C ATOM 749 C TRP A 56 -6.281 3.621 5.076 1.00 1.00 C ATOM 750 O TRP A 56 -6.801 2.984 5.997 1.00 1.00 O ATOM 751 CB TRP A 56 -4.360 4.220 3.537 1.00 1.00 C ATOM 752 CG TRP A 56 -4.561 5.708 3.527 1.00 1.00 C ATOM 753 CD1 TRP A 56 -5.046 6.329 2.522 1.00 1.00 C ATOM 754 CD2 TRP A 56 -4.280 6.755 4.575 1.00 1.00 C ATOM 755 NE1 TRP A 56 -5.087 7.640 2.775 1.00 1.00 N ATOM 756 CE2 TRP A 56 -4.640 7.953 4.045 1.00 1.00 C ATOM 757 CE3 TRP A 56 -3.746 6.759 5.920 1.00 1.00 C ATOM 758 CZ2 TRP A 56 -4.517 9.159 4.748 1.00 1.00 C ATOM 759 CZ3 TRP A 56 -3.623 7.968 6.626 1.00 1.00 C ATOM 760 CH2 TRP A 56 -4.015 9.162 6.035 1.00 1.00 C ATOM 0 H TRP A 56 -4.513 1.863 4.050 1.00 1.00 H new ATOM 0 HA TRP A 56 -4.328 4.199 5.753 1.00 1.00 H new ATOM 0 HB2 TRP A 56 -3.321 3.987 3.305 1.00 1.00 H new ATOM 0 HB3 TRP A 56 -4.971 3.760 2.761 1.00 1.00 H new ATOM 0 HD1 TRP A 56 -5.374 5.864 1.604 1.00 1.00 H new ATOM 0 HE1 TRP A 56 -5.413 8.335 2.103 1.00 1.00 H new ATOM 0 HE3 TRP A 56 -3.442 5.831 6.382 1.00 1.00 H new ATOM 0 HZ2 TRP A 56 -4.815 10.087 4.283 1.00 1.00 H new ATOM 0 HZ3 TRP A 56 -3.223 7.968 7.629 1.00 1.00 H new ATOM 0 HH2 TRP A 56 -3.928 10.090 6.580 1.00 1.00 H new ATOM 771 N ASP A 57 -7.054 4.282 4.023 1.00 1.00 N ATOM 772 CA ASP A 57 -8.466 4.272 3.957 1.00 1.00 C ATOM 773 C ASP A 57 -8.991 5.521 3.192 1.00 1.00 C ATOM 774 O ASP A 57 -10.172 5.838 3.306 1.00 1.00 O ATOM 775 CB ASP A 57 -9.063 4.267 5.354 1.00 1.00 C ATOM 776 CG ASP A 57 -9.587 2.872 5.741 1.00 1.00 C ATOM 777 OD1 ASP A 57 -9.162 1.907 5.125 1.00 1.00 O ATOM 778 OD2 ASP A 57 -10.404 2.797 6.643 1.00 1.00 O ATOM 0 H ASP A 57 -6.618 4.799 3.260 1.00 1.00 H new ATOM 0 HA ASP A 57 -8.767 3.369 3.426 1.00 1.00 H new ATOM 0 HB2 ASP A 57 -8.309 4.586 6.074 1.00 1.00 H new ATOM 0 HB3 ASP A 57 -9.878 4.989 5.405 1.00 1.00 H new ATOM 783 N GLU A 58 -8.106 6.273 2.489 1.00 1.00 N ATOM 784 CA GLU A 58 -8.531 7.445 1.904 1.00 1.00 C ATOM 785 C GLU A 58 -7.448 8.104 1.243 1.00 1.00 C ATOM 786 O GLU A 58 -6.840 8.922 1.849 1.00 1.00 O ATOM 787 CB GLU A 58 -9.003 8.360 3.113 1.00 1.00 C ATOM 788 CG GLU A 58 -7.909 8.303 4.238 1.00 1.00 C ATOM 789 CD GLU A 58 -8.425 8.979 5.498 1.00 1.00 C ATOM 790 OE1 GLU A 58 -8.770 10.146 5.423 1.00 1.00 O ATOM 791 OE2 GLU A 58 -8.469 8.320 6.522 1.00 1.00 O ATOM 0 H GLU A 58 -7.122 6.044 2.349 1.00 1.00 H new ATOM 0 HA GLU A 58 -9.313 7.256 1.168 1.00 1.00 H new ATOM 0 HB2 GLU A 58 -9.148 9.387 2.777 1.00 1.00 H new ATOM 0 HB3 GLU A 58 -9.962 8.013 3.499 1.00 1.00 H new ATOM 0 HG2 GLU A 58 -7.649 7.266 4.452 1.00 1.00 H new ATOM 0 HG3 GLU A 58 -6.999 8.796 3.897 1.00 1.00 H new ATOM 798 N ALA A 59 -7.115 7.863 -0.058 1.00 1.00 N ATOM 799 CA ALA A 59 -6.020 8.681 -0.640 1.00 1.00 C ATOM 800 C ALA A 59 -6.224 8.976 -2.198 1.00 1.00 C ATOM 801 O ALA A 59 -5.357 9.421 -2.777 1.00 1.00 O ATOM 802 CB ALA A 59 -4.821 7.970 -0.531 1.00 1.00 C ATOM 0 H ALA A 59 -7.546 7.173 -0.674 1.00 1.00 H new ATOM 0 HA ALA A 59 -6.012 9.625 -0.095 1.00 1.00 H new ATOM 0 HB1 ALA A 59 -4.008 8.560 -0.955 1.00 1.00 H new ATOM 0 HB2 ALA A 59 -4.612 7.767 0.519 1.00 1.00 H new ATOM 0 HB3 ALA A 59 -4.906 7.028 -1.072 1.00 1.00 H new ATOM 808 N LYS A 60 -7.453 8.616 -2.883 1.00 1.00 N ATOM 809 CA LYS A 60 -7.560 8.842 -4.340 1.00 1.00 C ATOM 810 C LYS A 60 -8.456 9.862 -4.627 1.00 1.00 C ATOM 811 O LYS A 60 -8.892 10.008 -5.777 1.00 1.00 O ATOM 812 CB LYS A 60 -7.927 7.607 -5.087 1.00 1.00 C ATOM 813 CG LYS A 60 -9.129 7.026 -4.356 1.00 1.00 C ATOM 814 CD LYS A 60 -9.824 5.842 -5.176 1.00 1.00 C ATOM 815 CE LYS A 60 -11.303 6.247 -5.556 1.00 1.00 C ATOM 816 NZ LYS A 60 -12.082 6.522 -4.302 1.00 1.00 N ATOM 0 H LYS A 60 -8.276 8.209 -2.439 1.00 1.00 H new ATOM 0 HA LYS A 60 -6.567 9.141 -4.676 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -8.172 7.835 -6.124 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -7.099 6.899 -5.104 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -8.814 6.654 -3.381 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -9.858 7.816 -4.175 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -9.252 5.629 -6.079 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -9.829 4.929 -4.580 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -11.297 7.130 -6.195 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -11.777 5.446 -6.123 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -13.084 6.290 -4.458 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -11.708 5.939 -3.526 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -11.994 7.528 -4.052 1.00 1.00 H new ATOM 872 N PRO A 65 -7.664 13.720 0.753 1.00 1.00 N ATOM 873 CA PRO A 65 -7.087 12.616 1.486 1.00 1.00 C ATOM 874 C PRO A 65 -5.620 12.532 1.267 1.00 1.00 C ATOM 875 O PRO A 65 -5.076 13.348 0.595 1.00 1.00 O ATOM 876 CB PRO A 65 -7.851 11.387 0.932 1.00 1.00 C ATOM 877 CG PRO A 65 -9.088 11.968 0.562 1.00 1.00 C ATOM 878 CD PRO A 65 -8.646 13.240 -0.143 1.00 1.00 C ATOM 0 HA PRO A 65 -7.189 12.708 2.567 1.00 1.00 H new ATOM 0 HB2 PRO A 65 -7.340 10.935 0.082 1.00 1.00 H new ATOM 0 HB3 PRO A 65 -7.973 10.607 1.683 1.00 1.00 H new ATOM 0 HG2 PRO A 65 -9.663 11.317 -0.096 1.00 1.00 H new ATOM 0 HG3 PRO A 65 -9.714 12.179 1.429 1.00 1.00 H new ATOM 0 HD2 PRO A 65 -8.238 13.041 -1.134 1.00 1.00 H new ATOM 0 HD3 PRO A 65 -9.466 13.946 -0.272 1.00 1.00 H new ATOM 886 N ASN A 66 -4.957 11.600 1.923 1.00 1.00 N ATOM 887 CA ASN A 66 -3.452 11.516 1.805 1.00 1.00 C ATOM 888 C ASN A 66 -3.017 11.818 0.373 1.00 1.00 C ATOM 889 O ASN A 66 -1.879 12.191 0.100 1.00 1.00 O ATOM 890 CB ASN A 66 -2.921 10.065 2.181 1.00 1.00 C ATOM 891 CG ASN A 66 -2.095 10.075 3.512 1.00 1.00 C ATOM 892 OD1 ASN A 66 -1.990 9.050 4.183 1.00 1.00 O ATOM 893 ND2 ASN A 66 -1.493 11.173 3.904 1.00 1.00 N ATOM 0 H ASN A 66 -5.384 10.900 2.529 1.00 1.00 H new ATOM 0 HA ASN A 66 -3.034 12.247 2.497 1.00 1.00 H new ATOM 0 HB2 ASN A 66 -3.766 9.384 2.283 1.00 1.00 H new ATOM 0 HB3 ASN A 66 -2.300 9.684 1.370 1.00 1.00 H new ATOM 0 HD21 ASN A 66 -0.941 11.174 4.762 1.00 1.00 H new ATOM 0 HD22 ASN A 66 -1.577 12.026 3.351 1.00 1.00 H new ATOM 900 N ARG A 67 -3.975 11.578 -0.504 1.00 1.00 N ATOM 901 CA ARG A 67 -3.844 11.728 -1.921 1.00 1.00 C ATOM 902 C ARG A 67 -2.955 10.628 -2.486 1.00 1.00 C ATOM 903 O ARG A 67 -1.847 10.388 -2.027 1.00 1.00 O ATOM 904 CB ARG A 67 -3.299 13.118 -2.325 1.00 1.00 C ATOM 905 CG ARG A 67 -4.402 14.156 -2.255 1.00 1.00 C ATOM 906 CD ARG A 67 -5.128 14.187 -3.558 1.00 1.00 C ATOM 907 NE ARG A 67 -4.256 14.659 -4.682 1.00 1.00 N ATOM 908 CZ ARG A 67 -3.644 15.876 -4.695 1.00 1.00 C ATOM 909 NH1 ARG A 67 -3.826 16.735 -3.739 1.00 1.00 N ATOM 910 NH2 ARG A 67 -2.874 16.192 -5.700 1.00 1.00 N ATOM 0 H ARG A 67 -4.903 11.260 -0.224 1.00 1.00 H new ATOM 0 HA ARG A 67 -4.844 11.643 -2.345 1.00 1.00 H new ATOM 0 HB2 ARG A 67 -2.481 13.402 -1.663 1.00 1.00 H new ATOM 0 HB3 ARG A 67 -2.892 13.077 -3.335 1.00 1.00 H new ATOM 0 HG2 ARG A 67 -5.092 13.917 -1.446 1.00 1.00 H new ATOM 0 HG3 ARG A 67 -3.981 15.137 -2.036 1.00 1.00 H new ATOM 0 HD2 ARG A 67 -5.504 13.190 -3.786 1.00 1.00 H new ATOM 0 HD3 ARG A 67 -5.995 14.842 -3.473 1.00 1.00 H new ATOM 0 HE ARG A 67 -4.114 14.037 -5.478 1.00 1.00 H new ATOM 0 HH11 ARG A 67 -4.438 16.505 -2.956 1.00 1.00 H new ATOM 0 HH12 ARG A 67 -3.357 17.640 -3.771 1.00 1.00 H new ATOM 0 HH21 ARG A 67 -2.736 15.531 -6.464 1.00 1.00 H new ATOM 0 HH22 ARG A 67 -2.410 17.100 -5.721 1.00 1.00 H new ATOM 924 N CYS A 68 -3.444 10.064 -3.515 1.00 1.00 N ATOM 925 CA CYS A 68 -2.805 9.086 -4.274 1.00 1.00 C ATOM 926 C CYS A 68 -3.389 9.209 -5.508 1.00 1.00 C ATOM 927 O CYS A 68 -2.852 9.905 -6.379 1.00 1.00 O ATOM 928 CB CYS A 68 -2.838 7.576 -3.626 1.00 1.00 C ATOM 929 SG CYS A 68 -4.397 6.673 -3.581 1.00 1.00 S ATOM 0 H CYS A 68 -4.372 10.295 -3.871 1.00 1.00 H new ATOM 0 HA CYS A 68 -1.727 9.237 -4.320 1.00 1.00 H new ATOM 0 HB2 CYS A 68 -2.122 6.967 -4.177 1.00 1.00 H new ATOM 0 HB3 CYS A 68 -2.472 7.650 -2.602 1.00 1.00 H new ATOM 934 N SER A 69 -4.443 8.612 -5.678 1.00 1.00 N ATOM 935 CA SER A 69 -5.140 8.680 -6.889 1.00 1.00 C ATOM 936 C SER A 69 -4.638 7.705 -7.883 1.00 1.00 C ATOM 937 O SER A 69 -5.401 7.227 -8.721 1.00 1.00 O ATOM 938 CB SER A 69 -5.084 10.130 -7.520 1.00 1.00 C ATOM 939 OG SER A 69 -3.978 10.217 -8.412 1.00 1.00 O ATOM 0 H SER A 69 -4.888 8.030 -4.968 1.00 1.00 H new ATOM 0 HA SER A 69 -6.173 8.433 -6.647 1.00 1.00 H new ATOM 0 HB2 SER A 69 -6.011 10.343 -8.052 1.00 1.00 H new ATOM 0 HB3 SER A 69 -4.989 10.878 -6.732 1.00 1.00 H new ATOM 0 HG SER A 69 -3.164 9.920 -7.954 1.00 1.00 H new ATOM 945 N ASN A 70 -3.293 7.513 -7.932 1.00 1.00 N ATOM 946 CA ASN A 70 -2.700 6.698 -9.034 1.00 1.00 C ATOM 947 C ASN A 70 -2.019 5.531 -8.604 1.00 1.00 C ATOM 948 O ASN A 70 -2.042 4.538 -9.279 1.00 1.00 O ATOM 949 CB ASN A 70 -1.689 7.581 -9.766 1.00 1.00 C ATOM 950 CG ASN A 70 -2.372 8.857 -10.251 1.00 1.00 C ATOM 951 OD1 ASN A 70 -2.021 9.954 -9.818 1.00 1.00 O ATOM 952 ND2 ASN A 70 -3.333 8.775 -11.127 1.00 1.00 N ATOM 0 H ASN A 70 -2.625 7.889 -7.259 1.00 1.00 H new ATOM 0 HA ASN A 70 -3.528 6.364 -9.659 1.00 1.00 H new ATOM 0 HB2 ASN A 70 -0.862 7.831 -9.101 1.00 1.00 H new ATOM 0 HB3 ASN A 70 -1.266 7.040 -10.612 1.00 1.00 H new ATOM 0 HD21 ASN A 70 -3.797 9.622 -11.456 1.00 1.00 H new ATOM 0 HD22 ASN A 70 -3.621 7.864 -11.484 1.00 1.00 H new ATOM 959 N SER A 71 -1.346 5.651 -7.512 1.00 1.00 N ATOM 960 CA SER A 71 -0.550 4.592 -6.960 1.00 1.00 C ATOM 961 C SER A 71 0.542 5.256 -6.163 1.00 1.00 C ATOM 962 O SER A 71 1.439 5.784 -6.754 1.00 1.00 O ATOM 963 CB SER A 71 0.064 3.745 -8.049 1.00 1.00 C ATOM 964 OG SER A 71 1.277 3.162 -7.578 1.00 1.00 O ATOM 0 H SER A 71 -1.329 6.508 -6.959 1.00 1.00 H new ATOM 0 HA SER A 71 -1.165 3.934 -6.346 1.00 1.00 H new ATOM 0 HB2 SER A 71 -0.633 2.963 -8.352 1.00 1.00 H new ATOM 0 HB3 SER A 71 0.261 4.355 -8.930 1.00 1.00 H new ATOM 0 HG SER A 71 1.672 2.612 -8.286 1.00 1.00 H new ATOM 970 N LYS A 72 0.448 5.192 -4.741 1.00 1.00 N ATOM 971 CA LYS A 72 1.531 5.834 -3.822 1.00 1.00 C ATOM 972 C LYS A 72 1.126 6.378 -2.477 1.00 1.00 C ATOM 973 O LYS A 72 1.753 7.283 -1.984 1.00 1.00 O ATOM 974 CB LYS A 72 2.026 7.129 -4.600 1.00 1.00 C ATOM 975 CG LYS A 72 0.795 8.038 -4.969 1.00 1.00 C ATOM 976 CD LYS A 72 1.193 9.571 -4.855 1.00 1.00 C ATOM 977 CE LYS A 72 0.439 10.421 -5.924 1.00 1.00 C ATOM 978 NZ LYS A 72 0.215 11.793 -5.387 1.00 1.00 N ATOM 0 H LYS A 72 -0.313 4.734 -4.240 1.00 1.00 H new ATOM 0 HA LYS A 72 2.227 5.019 -3.623 1.00 1.00 H new ATOM 0 HB2 LYS A 72 2.729 7.688 -3.982 1.00 1.00 H new ATOM 0 HB3 LYS A 72 2.558 6.838 -5.506 1.00 1.00 H new ATOM 0 HG2 LYS A 72 0.460 7.816 -5.982 1.00 1.00 H new ATOM 0 HG3 LYS A 72 -0.040 7.821 -4.303 1.00 1.00 H new ATOM 0 HD2 LYS A 72 0.955 9.940 -3.857 1.00 1.00 H new ATOM 0 HD3 LYS A 72 2.269 9.683 -4.988 1.00 1.00 H new ATOM 0 HE2 LYS A 72 1.020 10.468 -6.845 1.00 1.00 H new ATOM 0 HE3 LYS A 72 -0.514 9.954 -6.172 1.00 1.00 H new ATOM 0 HZ1 LYS A 72 -0.288 12.365 -6.095 1.00 1.00 H new ATOM 0 HZ2 LYS A 72 -0.355 11.737 -4.519 1.00 1.00 H new ATOM 0 HZ3 LYS A 72 1.131 12.235 -5.171 1.00 1.00 H new ATOM 992 N GLN A 73 0.167 5.968 -2.018 1.00 1.00 N ATOM 993 CA GLN A 73 -0.396 6.500 -0.809 1.00 1.00 C ATOM 994 C GLN A 73 -1.836 6.007 -0.708 1.00 1.00 C ATOM 995 O GLN A 73 -2.664 6.742 -0.353 1.00 1.00 O ATOM 996 CB GLN A 73 -0.465 8.188 -0.931 1.00 1.00 C ATOM 997 CG GLN A 73 0.523 8.880 0.021 1.00 1.00 C ATOM 998 CD GLN A 73 0.113 8.659 1.469 1.00 1.00 C ATOM 999 OE1 GLN A 73 -0.609 7.713 1.777 1.00 1.00 O ATOM 1000 NE2 GLN A 73 0.539 9.486 2.389 1.00 1.00 N ATOM 0 H GLN A 73 -0.367 5.198 -2.421 1.00 1.00 H new ATOM 0 HA GLN A 73 0.203 6.194 0.048 1.00 1.00 H new ATOM 0 HB2 GLN A 73 -0.247 8.486 -1.957 1.00 1.00 H new ATOM 0 HB3 GLN A 73 -1.477 8.525 -0.709 1.00 1.00 H new ATOM 0 HG2 GLN A 73 1.528 8.490 -0.142 1.00 1.00 H new ATOM 0 HG3 GLN A 73 0.557 9.948 -0.194 1.00 1.00 H new ATOM 0 HE21 GLN A 73 1.138 10.270 2.132 1.00 1.00 H new ATOM 0 HE22 GLN A 73 0.272 9.346 3.363 1.00 1.00 H new ATOM 1009 N CYS A 74 -2.113 4.731 -0.952 1.00 1.00 N ATOM 1010 CA CYS A 74 -3.644 4.226 -0.767 1.00 1.00 C ATOM 1011 C CYS A 74 -3.665 3.297 0.384 1.00 1.00 C ATOM 1012 O CYS A 74 -2.896 3.559 1.268 1.00 1.00 O ATOM 1013 CB CYS A 74 -4.162 3.683 -2.134 1.00 1.00 C ATOM 1014 SG CYS A 74 -3.572 4.777 -3.567 1.00 1.00 S ATOM 0 H CYS A 74 -1.442 4.023 -1.251 1.00 1.00 H new ATOM 0 HA CYS A 74 -4.352 5.015 -0.515 1.00 1.00 H new ATOM 0 HB2 CYS A 74 -3.809 2.662 -2.281 1.00 1.00 H new ATOM 0 HB3 CYS A 74 -5.251 3.645 -2.125 1.00 1.00 H new ATOM 1019 N ASP A 75 -4.588 2.147 0.513 1.00 1.00 N ATOM 1020 CA ASP A 75 -4.520 1.336 1.866 1.00 1.00 C ATOM 1021 C ASP A 75 -3.966 -0.034 1.626 1.00 1.00 C ATOM 1022 O ASP A 75 -2.764 -0.273 1.753 1.00 1.00 O ATOM 1023 CB ASP A 75 -6.046 1.441 2.480 1.00 1.00 C ATOM 1024 CG ASP A 75 -6.330 0.496 3.555 1.00 1.00 C ATOM 1025 OD1 ASP A 75 -6.011 0.793 4.681 1.00 1.00 O ATOM 1026 OD2 ASP A 75 -6.903 -0.462 3.278 1.00 1.00 O ATOM 0 H ASP A 75 -5.262 1.827 -0.183 1.00 1.00 H new ATOM 0 HA ASP A 75 -3.827 1.727 2.612 1.00 1.00 H new ATOM 0 HB2 ASP A 75 -6.206 2.453 2.851 1.00 1.00 H new ATOM 0 HB3 ASP A 75 -6.761 1.280 1.673 1.00 1.00 H new ATOM 1031 N GLY A 76 -4.795 -0.872 1.260 1.00 1.00 N ATOM 1032 CA GLY A 76 -4.455 -2.212 0.942 1.00 1.00 C ATOM 1033 C GLY A 76 -5.356 -2.661 -0.144 1.00 1.00 C ATOM 1034 O GLY A 76 -5.524 -1.962 -1.061 1.00 1.00 O ATOM 0 H GLY A 76 -5.789 -0.666 1.158 1.00 1.00 H new ATOM 0 HA2 GLY A 76 -3.414 -2.277 0.626 1.00 1.00 H new ATOM 0 HA3 GLY A 76 -4.563 -2.852 1.818 1.00 1.00 H new ATOM 1038 N ALA A 77 -5.928 -3.869 0.022 1.00 1.00 N ATOM 1039 CA ALA A 77 -6.874 -4.527 -0.935 1.00 1.00 C ATOM 1040 C ALA A 77 -7.424 -3.628 -2.046 1.00 1.00 C ATOM 1041 O ALA A 77 -8.566 -3.831 -2.473 1.00 1.00 O ATOM 1042 CB ALA A 77 -8.028 -4.966 -0.156 1.00 1.00 C ATOM 0 H ALA A 77 -5.747 -4.441 0.847 1.00 1.00 H new ATOM 0 HA ALA A 77 -6.308 -5.320 -1.423 1.00 1.00 H new ATOM 0 HB1 ALA A 77 -8.747 -5.453 -0.814 1.00 1.00 H new ATOM 0 HB2 ALA A 77 -7.703 -5.669 0.611 1.00 1.00 H new ATOM 0 HB3 ALA A 77 -8.496 -4.103 0.318 1.00 1.00 H new ATOM 1048 N ARG A 78 -6.685 -2.609 -2.470 1.00 1.00 N ATOM 1049 CA ARG A 78 -7.135 -1.686 -3.428 1.00 1.00 C ATOM 1050 C ARG A 78 -6.227 -1.738 -4.574 1.00 1.00 C ATOM 1051 O ARG A 78 -5.130 -2.188 -4.431 1.00 1.00 O ATOM 1052 CB ARG A 78 -7.129 -0.372 -2.823 1.00 1.00 C ATOM 1053 CG ARG A 78 -8.147 -0.359 -1.653 1.00 1.00 C ATOM 1054 CD ARG A 78 -8.354 1.031 -1.229 1.00 1.00 C ATOM 1055 NE ARG A 78 -9.112 1.781 -2.267 1.00 1.00 N ATOM 1056 CZ ARG A 78 -10.379 2.225 -2.060 1.00 1.00 C ATOM 1057 NH1 ARG A 78 -11.000 1.977 -0.932 1.00 1.00 N ATOM 1058 NH2 ARG A 78 -10.988 2.900 -2.998 1.00 1.00 N ATOM 0 H ARG A 78 -5.741 -2.424 -2.132 1.00 1.00 H new ATOM 0 HA ARG A 78 -8.145 -1.916 -3.767 1.00 1.00 H new ATOM 0 HB2 ARG A 78 -6.131 -0.128 -2.458 1.00 1.00 H new ATOM 0 HB3 ARG A 78 -7.392 0.385 -3.561 1.00 1.00 H new ATOM 0 HG2 ARG A 78 -9.091 -0.803 -1.968 1.00 1.00 H new ATOM 0 HG3 ARG A 78 -7.775 -0.957 -0.821 1.00 1.00 H new ATOM 0 HD2 ARG A 78 -8.898 1.053 -0.285 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -7.392 1.512 -1.053 1.00 1.00 H new ATOM 0 HE ARG A 78 -8.665 1.968 -3.165 1.00 1.00 H new ATOM 0 HH11 ARG A 78 -10.532 1.445 -0.198 1.00 1.00 H new ATOM 0 HH12 ARG A 78 -11.951 2.316 -0.788 1.00 1.00 H new ATOM 0 HH21 ARG A 78 -10.512 3.091 -3.880 1.00 1.00 H new ATOM 0 HH22 ARG A 78 -11.939 3.236 -2.849 1.00 1.00 H new ATOM 1072 N THR A 79 -6.645 -1.280 -5.744 1.00 1.00 N ATOM 1073 CA THR A 79 -5.777 -1.341 -6.852 1.00 1.00 C ATOM 1074 C THR A 79 -5.879 -0.228 -7.644 1.00 1.00 C ATOM 1075 O THR A 79 -6.398 -0.293 -8.700 1.00 1.00 O ATOM 1076 CB THR A 79 -5.958 -2.641 -7.618 1.00 1.00 C ATOM 1077 OG1 THR A 79 -6.368 -3.662 -6.715 1.00 1.00 O ATOM 1078 CG2 THR A 79 -4.585 -3.012 -8.238 1.00 1.00 C ATOM 0 H THR A 79 -7.564 -0.875 -5.924 1.00 1.00 H new ATOM 0 HA THR A 79 -4.753 -1.341 -6.478 1.00 1.00 H new ATOM 0 HB THR A 79 -6.713 -2.534 -8.397 1.00 1.00 H new ATOM 0 HG1 THR A 79 -5.654 -4.327 -6.627 1.00 1.00 H new ATOM 0 HG21 THR A 79 -4.678 -3.943 -8.797 1.00 1.00 H new ATOM 0 HG22 THR A 79 -4.262 -2.216 -8.909 1.00 1.00 H new ATOM 0 HG23 THR A 79 -3.849 -3.138 -7.444 1.00 1.00 H new ATOM 1086 N CYS A 80 -5.202 0.889 -7.122 1.00 1.00 N ATOM 1087 CA CYS A 80 -5.050 2.114 -7.788 1.00 1.00 C ATOM 1088 C CYS A 80 -5.454 2.158 -9.148 1.00 1.00 C ATOM 1089 O CYS A 80 -4.753 2.681 -10.020 1.00 1.00 O ATOM 1090 CB CYS A 80 -3.608 2.607 -7.634 1.00 1.00 C ATOM 1091 SG CYS A 80 -3.643 4.322 -6.553 1.00 1.00 S ATOM 0 H CYS A 80 -4.766 0.881 -6.200 1.00 1.00 H new ATOM 0 HA CYS A 80 -5.755 2.783 -7.296 1.00 1.00 H new ATOM 0 HB2 CYS A 80 -2.999 1.854 -7.134 1.00 1.00 H new ATOM 0 HB3 CYS A 80 -3.159 2.782 -8.612 1.00 1.00 H new ATOM 1136 N PHE A 85 -3.101 0.327 -5.262 1.00 1.00 N ATOM 1137 CA PHE A 85 -3.157 1.249 -4.377 1.00 1.00 C ATOM 1138 C PHE A 85 -4.620 1.673 -4.370 1.00 1.00 C ATOM 1139 O PHE A 85 -5.273 1.312 -3.517 1.00 1.00 O ATOM 1140 CB PHE A 85 -2.054 2.308 -4.658 1.00 1.00 C ATOM 1141 CG PHE A 85 -0.800 2.183 -3.700 1.00 1.00 C ATOM 1142 CD1 PHE A 85 -0.892 1.742 -2.338 1.00 1.00 C ATOM 1143 CD2 PHE A 85 0.450 2.516 -4.223 1.00 1.00 C ATOM 1144 CE1 PHE A 85 0.263 1.649 -1.564 1.00 1.00 C ATOM 1145 CE2 PHE A 85 1.598 2.418 -3.433 1.00 1.00 C ATOM 1146 CZ PHE A 85 1.507 1.984 -2.111 1.00 1.00 C ATOM 0 HA PHE A 85 -2.912 0.967 -3.353 1.00 1.00 H new ATOM 0 HB2 PHE A 85 -1.723 2.210 -5.692 1.00 1.00 H new ATOM 0 HB3 PHE A 85 -2.483 3.305 -4.554 1.00 1.00 H new ATOM 0 HD1 PHE A 85 -1.851 1.483 -1.915 1.00 1.00 H new ATOM 0 HD2 PHE A 85 0.531 2.852 -5.246 1.00 1.00 H new ATOM 0 HE1 PHE A 85 0.198 1.317 -0.538 1.00 1.00 H new ATOM 0 HE2 PHE A 85 2.560 2.680 -3.848 1.00 1.00 H new ATOM 0 HZ PHE A 85 2.399 1.906 -1.507 1.00 1.00 H new ATOM 1156 N CYS A 86 -5.095 2.497 -5.254 1.00 1.00 N ATOM 1157 CA CYS A 86 -6.595 2.967 -5.155 1.00 1.00 C ATOM 1158 C CYS A 86 -7.607 2.683 -6.267 1.00 1.00 C ATOM 1159 O CYS A 86 -7.543 3.169 -7.394 1.00 1.00 O ATOM 1160 CB CYS A 86 -6.585 4.344 -4.918 1.00 1.00 C ATOM 1161 SG CYS A 86 -5.670 5.126 -6.433 1.00 1.00 S ATOM 0 H CYS A 86 -4.567 2.883 -6.037 1.00 1.00 H new ATOM 0 HA CYS A 86 -6.977 2.325 -4.361 1.00 1.00 H new ATOM 0 HB2 CYS A 86 -7.599 4.734 -4.829 1.00 1.00 H new ATOM 0 HB3 CYS A 86 -6.070 4.578 -3.986 1.00 1.00 H new ATOM 1166 N GLN A 87 -8.655 1.841 -5.820 1.00 1.00 N ATOM 1167 CA GLN A 87 -9.717 1.446 -6.631 1.00 1.00 C ATOM 1168 C GLN A 87 -10.461 0.219 -6.016 1.00 1.00 C ATOM 1169 O GLN A 87 -11.689 0.160 -6.023 1.00 1.00 O ATOM 1170 CB GLN A 87 -9.156 1.141 -8.010 1.00 1.00 C ATOM 1171 CG GLN A 87 -9.898 -0.020 -8.681 1.00 1.00 C ATOM 1172 CD GLN A 87 -9.440 -1.372 -8.105 1.00 1.00 C ATOM 1173 OE1 GLN A 87 -8.432 -1.438 -7.424 1.00 1.00 O ATOM 1174 NE2 GLN A 87 -10.140 -2.449 -8.349 1.00 1.00 N ATOM 0 H GLN A 87 -8.703 1.466 -4.872 1.00 1.00 H new ATOM 0 HA GLN A 87 -10.458 2.242 -6.709 1.00 1.00 H new ATOM 0 HB2 GLN A 87 -9.229 2.030 -8.637 1.00 1.00 H new ATOM 0 HB3 GLN A 87 -8.097 0.896 -7.926 1.00 1.00 H new ATOM 0 HG2 GLN A 87 -10.972 0.097 -8.535 1.00 1.00 H new ATOM 0 HG3 GLN A 87 -9.718 0.001 -9.756 1.00 1.00 H new ATOM 0 HE21 GLN A 87 -10.984 -2.391 -8.919 1.00 1.00 H new ATOM 0 HE22 GLN A 87 -9.843 -3.348 -7.969 1.00 1.00 H new ATOM 1183 N GLY A 88 -9.718 -0.729 -5.566 1.00 1.00 N ATOM 1184 CA GLY A 88 -10.317 -1.974 -5.020 1.00 1.00 C ATOM 1185 C GLY A 88 -11.197 -1.761 -3.781 1.00 1.00 C ATOM 1186 O GLY A 88 -12.277 -1.183 -3.878 1.00 1.00 O ATOM 0 H GLY A 88 -8.698 -0.702 -5.549 1.00 1.00 H new ATOM 0 HA2 GLY A 88 -10.915 -2.447 -5.799 1.00 1.00 H new ATOM 0 HA3 GLY A 88 -9.516 -2.668 -4.767 1.00 1.00 H new ATOM 1190 N THR A 89 -10.778 -2.354 -2.620 1.00 1.00 N ATOM 1191 CA THR A 89 -11.624 -2.329 -1.393 1.00 1.00 C ATOM 1192 C THR A 89 -10.974 -1.852 -0.093 1.00 1.00 C ATOM 1193 O THR A 89 -11.361 -0.839 0.451 1.00 1.00 O ATOM 1194 CB THR A 89 -12.104 -3.810 -1.196 1.00 1.00 C ATOM 1195 OG1 THR A 89 -13.221 -4.050 -2.046 1.00 1.00 O ATOM 1196 CG2 THR A 89 -12.522 -4.108 0.298 1.00 1.00 C ATOM 0 H THR A 89 -9.887 -2.840 -2.513 1.00 1.00 H new ATOM 0 HA THR A 89 -12.406 -1.590 -1.566 1.00 1.00 H new ATOM 0 HB THR A 89 -11.271 -4.467 -1.446 1.00 1.00 H new ATOM 0 HG1 THR A 89 -13.527 -4.974 -1.931 1.00 1.00 H new ATOM 0 HG21 THR A 89 -12.847 -5.145 0.385 1.00 1.00 H new ATOM 0 HG22 THR A 89 -11.669 -3.939 0.955 1.00 1.00 H new ATOM 0 HG23 THR A 89 -13.339 -3.446 0.586 1.00 1.00 H new ATOM 1204 N ALA A 90 -10.132 -2.678 0.413 1.00 1.00 N ATOM 1205 CA ALA A 90 -9.510 -2.509 1.743 1.00 1.00 C ATOM 1206 C ALA A 90 -10.283 -3.418 2.692 1.00 1.00 C ATOM 1207 O ALA A 90 -11.459 -3.208 2.982 1.00 1.00 O ATOM 1208 CB ALA A 90 -9.535 -1.135 2.283 1.00 1.00 C ATOM 0 H ALA A 90 -9.827 -3.522 -0.072 1.00 1.00 H new ATOM 0 HA ALA A 90 -8.453 -2.755 1.644 1.00 1.00 H new ATOM 0 HB1 ALA A 90 -9.054 -1.120 3.261 1.00 1.00 H new ATOM 0 HB2 ALA A 90 -9.001 -0.468 1.606 1.00 1.00 H new ATOM 0 HB3 ALA A 90 -10.568 -0.801 2.381 1.00 1.00 H new ATOM 1214 N GLY A 91 -9.588 -4.333 3.192 1.00 1.00 N ATOM 1215 CA GLY A 91 -10.162 -5.345 4.277 1.00 1.00 C ATOM 1216 C GLY A 91 -9.011 -6.029 5.383 1.00 1.00 C ATOM 1217 O GLY A 91 -9.416 -6.553 6.409 1.00 1.00 O ATOM 0 H GLY A 91 -8.612 -4.498 2.945 1.00 1.00 H new ATOM 0 HA2 GLY A 91 -10.926 -4.827 4.857 1.00 1.00 H new ATOM 0 HA3 GLY A 91 -10.659 -6.162 3.753 1.00 1.00 H new ATOM 1221 N HIS A 92 -7.627 -5.902 5.118 1.00 1.00 N ATOM 1222 CA HIS A 92 -6.487 -6.419 6.126 1.00 1.00 C ATOM 1223 C HIS A 92 -6.520 -7.900 6.520 1.00 1.00 C ATOM 1224 O HIS A 92 -7.560 -8.360 7.002 1.00 1.00 O ATOM 1225 CB HIS A 92 -6.655 -5.617 7.542 1.00 1.00 C ATOM 1226 CG HIS A 92 -7.504 -6.387 8.580 1.00 1.00 C ATOM 1227 ND1 HIS A 92 -8.874 -6.200 8.710 1.00 1.00 N ATOM 1228 CD2 HIS A 92 -7.164 -7.318 9.514 1.00 1.00 C ATOM 1229 CE1 HIS A 92 -9.298 -7.013 9.696 1.00 1.00 C ATOM 1230 NE2 HIS A 92 -8.292 -7.717 10.218 1.00 1.00 N ATOM 0 H HIS A 92 -7.259 -5.473 4.269 1.00 1.00 H new ATOM 0 HA HIS A 92 -5.562 -6.248 5.576 1.00 1.00 H new ATOM 0 HB2 HIS A 92 -5.668 -5.423 7.962 1.00 1.00 H new ATOM 0 HB3 HIS A 92 -7.117 -4.648 7.351 1.00 1.00 H new ATOM 0 HD1 HIS A 92 -9.452 -5.564 8.160 1.00 1.00 H new ATOM 0 HD2 HIS A 92 -6.164 -7.691 9.682 1.00 1.00 H new ATOM 0 HE1 HIS A 92 -10.325 -7.086 10.024 1.00 1.00 H new ATOM 1239 N ALA A 93 -5.466 -8.659 6.350 1.00 1.00 N ATOM 1240 CA ALA A 93 -5.543 -10.157 6.787 1.00 1.00 C ATOM 1241 C ALA A 93 -4.842 -10.340 8.138 1.00 1.00 C ATOM 1242 O ALA A 93 -3.714 -10.832 8.201 1.00 1.00 O ATOM 1243 CB ALA A 93 -4.854 -11.137 5.723 1.00 1.00 C ATOM 0 H ALA A 93 -4.578 -8.358 5.950 1.00 1.00 H new ATOM 0 HA ALA A 93 -6.600 -10.414 6.858 1.00 1.00 H new ATOM 0 HB1 ALA A 93 -4.933 -12.167 6.072 1.00 1.00 H new ATOM 0 HB2 ALA A 93 -5.356 -11.040 4.761 1.00 1.00 H new ATOM 0 HB3 ALA A 93 -3.803 -10.872 5.612 1.00 1.00 H new ATOM 1249 N ALA A 94 -5.520 -9.939 9.211 1.00 1.00 N ATOM 1250 CA ALA A 94 -4.953 -10.061 10.564 1.00 1.00 C ATOM 1251 C ALA A 94 -4.251 -11.413 10.731 1.00 1.00 C ATOM 1252 O ALA A 94 -4.924 -12.366 11.095 1.00 1.00 O ATOM 1253 CB ALA A 94 -6.087 -9.929 11.636 1.00 1.00 C ATOM 0 H ALA A 94 -6.454 -9.530 9.178 1.00 1.00 H new ATOM 0 HA ALA A 94 -4.225 -9.262 10.704 1.00 1.00 H new ATOM 0 HB1 ALA A 94 -5.657 -10.021 12.633 1.00 1.00 H new ATOM 0 HB2 ALA A 94 -6.570 -8.957 11.537 1.00 1.00 H new ATOM 0 HB3 ALA A 94 -6.824 -10.717 11.485 1.00 1.00 H new