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 180:sc= -0.508 USER MOD Set 1.2: A 87 GLN : amide:sc= -9.8! C(o=-10!,f=-24!) USER MOD Set 2.1: A 66 ASN : amide:sc= -15.3! C(o=-26!,f=-24!) USER MOD Set 2.2: A 73 GLN : amide:sc= -10.2! C(o=-26!,f=-25!) USER MOD Set 3.1: A 69 SER OG : rot -60:sc= -1.86! USER MOD Set 3.2: A 70 ASN : amide:sc= -2.28 K(o=-4.1,f=-7.5!) USER MOD Set 4.1: A 31 THR OG1 : rot 162:sc= -7.56! USER MOD Set 4.2: A 39 GLN : amide:sc= -7.07! C(o=-15!,f=-17!) USER MOD Set 5.1: A 1 GLY N :NH3+ -165:sc= -24.7! (180deg=-16.4!) USER MOD Set 5.2: A 22 ASN : amide:sc= -6.26! C(o=-55!,f=-63!) USER MOD Set 5.3: A 23 ASN : amide:sc= -24.3! C(o=-55!,f=-63!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 34:sc= 0.92 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.154 X(o=-0.15,f=-0.15) USER MOD Single : A 12 ASN : amide:sc= -2.07! C(o=-2.1!,f=-7!) USER MOD Single : A 13 ASN : amide:sc= -2.12 K(o=-2.1,f=-3) USER MOD Single : A 18 ASN : amide:sc= -9.23! C(o=-9.2!,f=-19!) USER MOD Single : A 21 SER OG : rot 40:sc= 0.902 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.1) USER MOD Single : A 33 SER OG : rot 0:sc= 0.878 USER MOD Single : A 34 SER OG : rot -30:sc= 0.472 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 170:sc= -3.39! USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -178:sc= -1.77! (180deg=-2.05!) USER MOD Single : A 53 THR OG1 : rot -142:sc= -5.92! USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -146:sc= -0.226 (180deg=-1.53!) 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= -6.6! C(o=-6.6!,f=-6.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.000 -5.458 3.857 1.00 1.00 N ATOM 2 CA GLY A 1 6.565 -6.479 3.218 1.00 1.00 C ATOM 3 C GLY A 1 6.328 -7.587 4.231 1.00 1.00 C ATOM 4 O GLY A 1 7.311 -8.123 4.758 1.00 1.00 O ATOM 0 H1 GLY A 1 6.933 -4.615 3.252 1.00 1.00 H new ATOM 0 H2 GLY A 1 6.428 -5.315 4.714 1.00 1.00 H new ATOM 0 H3 GLY A 1 7.993 -5.613 4.125 1.00 1.00 H new ATOM 0 HA2 GLY A 1 5.642 -6.237 2.692 1.00 1.00 H new ATOM 0 HA3 GLY A 1 7.287 -6.796 2.465 1.00 1.00 H new ATOM 10 N SER A 2 5.004 -8.083 4.464 1.00 1.00 N ATOM 11 CA SER A 2 4.825 -9.240 5.327 1.00 1.00 C ATOM 12 C SER A 2 3.743 -10.022 4.739 1.00 1.00 C ATOM 13 O SER A 2 3.966 -11.110 4.196 1.00 1.00 O ATOM 14 CB SER A 2 4.546 -8.844 6.760 1.00 1.00 C ATOM 15 OG SER A 2 4.974 -9.874 7.643 1.00 1.00 O ATOM 0 H SER A 2 4.149 -7.690 4.070 1.00 1.00 H new ATOM 0 HA SER A 2 5.738 -9.833 5.383 1.00 1.00 H new ATOM 0 HB2 SER A 2 5.063 -7.914 6.996 1.00 1.00 H new ATOM 0 HB3 SER A 2 3.480 -8.659 6.894 1.00 1.00 H new ATOM 0 HG SER A 2 4.791 -9.608 8.568 1.00 1.00 H new ATOM 21 N GLY A 3 2.602 -9.556 4.857 1.00 1.00 N ATOM 22 CA GLY A 3 1.478 -10.241 4.336 1.00 1.00 C ATOM 23 C GLY A 3 0.393 -9.286 4.046 1.00 1.00 C ATOM 24 O GLY A 3 0.503 -8.119 4.362 1.00 1.00 O ATOM 0 H GLY A 3 2.387 -8.674 5.322 1.00 1.00 H new ATOM 0 HA2 GLY A 3 1.756 -10.774 3.427 1.00 1.00 H new ATOM 0 HA3 GLY A 3 1.134 -10.988 5.051 1.00 1.00 H new ATOM 28 N PRO A 4 -0.670 -9.746 3.453 1.00 1.00 N ATOM 29 CA PRO A 4 -1.813 -8.872 3.124 1.00 1.00 C ATOM 30 C PRO A 4 -2.244 -8.258 4.265 1.00 1.00 C ATOM 31 O PRO A 4 -3.143 -8.738 4.894 1.00 1.00 O ATOM 32 CB PRO A 4 -2.897 -9.812 2.554 1.00 1.00 C ATOM 33 CG PRO A 4 -2.399 -11.213 2.886 1.00 1.00 C ATOM 34 CD PRO A 4 -0.870 -11.101 3.053 1.00 1.00 C ATOM 0 HA PRO A 4 -1.560 -8.091 2.407 1.00 1.00 H new ATOM 0 HB2 PRO A 4 -3.869 -9.618 3.008 1.00 1.00 H new ATOM 0 HB3 PRO A 4 -3.014 -9.677 1.479 1.00 1.00 H new ATOM 0 HG2 PRO A 4 -2.864 -11.584 3.799 1.00 1.00 H new ATOM 0 HG3 PRO A 4 -2.653 -11.914 2.091 1.00 1.00 H new ATOM 0 HD2 PRO A 4 -0.497 -11.799 3.803 1.00 1.00 H new ATOM 0 HD3 PRO A 4 -0.348 -11.325 2.122 1.00 1.00 H new ATOM 42 N THR A 5 -1.684 -7.212 4.596 1.00 1.00 N ATOM 43 CA THR A 5 -2.037 -6.543 5.756 1.00 1.00 C ATOM 44 C THR A 5 -0.951 -5.758 6.260 1.00 1.00 C ATOM 45 O THR A 5 -1.196 -4.975 7.047 1.00 1.00 O ATOM 46 CB THR A 5 -2.420 -7.497 6.966 1.00 1.00 C ATOM 47 OG1 THR A 5 -2.154 -6.825 8.210 1.00 1.00 O ATOM 48 CG2 THR A 5 -1.605 -8.870 6.950 1.00 1.00 C ATOM 0 H THR A 5 -0.939 -6.768 4.060 1.00 1.00 H new ATOM 0 HA THR A 5 -2.896 -5.947 5.448 1.00 1.00 H new ATOM 0 HB THR A 5 -3.479 -7.732 6.861 1.00 1.00 H new ATOM 0 HG1 THR A 5 -2.328 -5.866 8.108 1.00 1.00 H new ATOM 0 HG21 THR A 5 -1.907 -9.482 7.799 1.00 1.00 H new ATOM 0 HG22 THR A 5 -1.813 -9.406 6.024 1.00 1.00 H new ATOM 0 HG23 THR A 5 -0.537 -8.660 7.016 1.00 1.00 H new ATOM 56 N TYR A 6 0.463 -6.153 5.974 1.00 1.00 N ATOM 57 CA TYR A 6 1.504 -5.463 6.705 1.00 1.00 C ATOM 58 C TYR A 6 1.281 -4.260 6.937 1.00 1.00 C ATOM 59 O TYR A 6 1.781 -3.692 7.933 1.00 1.00 O ATOM 60 CB TYR A 6 2.900 -5.572 6.258 1.00 1.00 C ATOM 61 CG TYR A 6 3.833 -5.191 7.705 1.00 1.00 C ATOM 62 CD1 TYR A 6 4.103 -6.206 8.665 1.00 1.00 C ATOM 63 CD2 TYR A 6 4.297 -3.851 8.008 1.00 1.00 C ATOM 64 CE1 TYR A 6 4.813 -5.908 9.839 1.00 1.00 C ATOM 65 CE2 TYR A 6 5.002 -3.595 9.188 1.00 1.00 C ATOM 66 CZ TYR A 6 5.260 -4.618 10.091 1.00 1.00 C ATOM 67 OH TYR A 6 5.955 -4.347 11.254 1.00 1.00 O ATOM 0 H TYR A 6 0.768 -6.865 5.310 1.00 1.00 H new ATOM 0 HA TYR A 6 1.429 -6.066 7.610 1.00 1.00 H new ATOM 0 HB2 TYR A 6 3.125 -6.572 5.888 1.00 1.00 H new ATOM 0 HB3 TYR A 6 3.116 -4.876 5.447 1.00 1.00 H new ATOM 0 HD1 TYR A 6 3.759 -7.214 8.489 1.00 1.00 H new ATOM 0 HD2 TYR A 6 4.097 -3.045 7.317 1.00 1.00 H new ATOM 0 HE1 TYR A 6 5.014 -6.692 10.555 1.00 1.00 H new ATOM 0 HE2 TYR A 6 5.349 -2.594 9.399 1.00 1.00 H new ATOM 0 HH TYR A 6 6.197 -3.398 11.277 1.00 1.00 H new ATOM 77 N CYS A 7 0.503 -3.698 6.142 1.00 1.00 N ATOM 78 CA CYS A 7 0.196 -2.461 6.351 1.00 1.00 C ATOM 79 C CYS A 7 1.298 -1.559 6.540 1.00 1.00 C ATOM 80 O CYS A 7 1.339 -0.806 7.527 1.00 1.00 O ATOM 81 CB CYS A 7 -0.655 -2.411 7.545 1.00 1.00 C ATOM 82 SG CYS A 7 -1.315 -0.681 7.810 1.00 1.00 S ATOM 0 H CYS A 7 0.076 -4.131 5.323 1.00 1.00 H new ATOM 0 HA CYS A 7 -0.297 -2.118 5.441 1.00 1.00 H new ATOM 0 HB2 CYS A 7 -1.484 -3.110 7.437 1.00 1.00 H new ATOM 0 HB3 CYS A 7 -0.084 -2.726 8.419 1.00 1.00 H new ATOM 87 N TRP A 8 2.144 -1.553 5.612 1.00 1.00 N ATOM 88 CA TRP A 8 3.223 -0.577 5.670 1.00 1.00 C ATOM 89 C TRP A 8 2.508 0.707 6.041 1.00 1.00 C ATOM 90 O TRP A 8 1.759 1.176 5.223 1.00 1.00 O ATOM 91 CB TRP A 8 3.845 -0.380 4.375 1.00 1.00 C ATOM 92 CG TRP A 8 5.142 0.585 4.565 1.00 1.00 C ATOM 93 CD1 TRP A 8 5.444 1.751 3.838 1.00 1.00 C ATOM 94 CD2 TRP A 8 6.266 0.474 5.583 1.00 1.00 C ATOM 95 NE1 TRP A 8 6.650 2.260 4.273 1.00 1.00 N ATOM 96 CE2 TRP A 8 7.182 1.534 5.359 1.00 1.00 C ATOM 97 CE3 TRP A 8 6.585 -0.453 6.662 1.00 1.00 C ATOM 98 CZ2 TRP A 8 8.338 1.682 6.147 1.00 1.00 C ATOM 99 CZ3 TRP A 8 7.742 -0.274 7.434 1.00 1.00 C ATOM 100 CH2 TRP A 8 8.606 0.783 7.179 1.00 1.00 C ATOM 0 H TRP A 8 2.148 -2.178 4.806 1.00 1.00 H new ATOM 0 HA TRP A 8 4.008 -0.890 6.359 1.00 1.00 H new ATOM 0 HB2 TRP A 8 4.145 -1.338 3.949 1.00 1.00 H new ATOM 0 HB3 TRP A 8 3.137 0.070 3.679 1.00 1.00 H new ATOM 0 HD1 TRP A 8 4.828 2.180 3.061 1.00 1.00 H new ATOM 0 HE1 TRP A 8 7.106 3.071 3.856 1.00 1.00 H new ATOM 0 HE3 TRP A 8 5.926 -1.283 6.868 1.00 1.00 H new ATOM 0 HZ2 TRP A 8 9.021 2.496 5.952 1.00 1.00 H new ATOM 0 HZ3 TRP A 8 7.963 -0.965 8.234 1.00 1.00 H new ATOM 0 HH2 TRP A 8 9.492 0.910 7.784 1.00 1.00 H new ATOM 111 N ASN A 9 2.588 1.220 7.288 1.00 1.00 N ATOM 112 CA ASN A 9 1.759 2.355 7.656 1.00 1.00 C ATOM 113 C ASN A 9 1.448 3.257 6.579 1.00 1.00 C ATOM 114 O ASN A 9 0.315 3.728 6.451 1.00 1.00 O ATOM 115 CB ASN A 9 2.390 3.122 8.806 1.00 1.00 C ATOM 116 CG ASN A 9 2.634 2.195 9.982 1.00 1.00 C ATOM 117 OD1 ASN A 9 1.699 1.574 10.490 1.00 1.00 O ATOM 118 ND2 ASN A 9 3.841 2.062 10.453 1.00 1.00 N ATOM 0 H ASN A 9 3.201 0.871 8.025 1.00 1.00 H new ATOM 0 HA ASN A 9 0.806 1.921 7.959 1.00 1.00 H new ATOM 0 HB2 ASN A 9 3.331 3.567 8.483 1.00 1.00 H new ATOM 0 HB3 ASN A 9 1.737 3.941 9.108 1.00 1.00 H new ATOM 0 HD21 ASN A 9 4.014 1.442 11.245 1.00 1.00 H new ATOM 0 HD22 ASN A 9 4.613 2.577 10.030 1.00 1.00 H new ATOM 125 N GLU A 10 2.362 3.527 5.852 1.00 1.00 N ATOM 126 CA GLU A 10 2.204 4.418 4.774 1.00 1.00 C ATOM 127 C GLU A 10 1.484 5.718 5.212 1.00 1.00 C ATOM 128 O GLU A 10 0.491 6.154 4.595 1.00 1.00 O ATOM 129 CB GLU A 10 1.453 3.826 3.568 1.00 1.00 C ATOM 130 CG GLU A 10 2.317 2.971 2.829 1.00 1.00 C ATOM 131 CD GLU A 10 1.578 2.381 1.653 1.00 1.00 C ATOM 132 OE1 GLU A 10 1.000 3.149 0.906 1.00 1.00 O ATOM 133 OE2 GLU A 10 1.603 1.169 1.505 1.00 1.00 O ATOM 0 H GLU A 10 3.303 3.145 5.951 1.00 1.00 H new ATOM 0 HA GLU A 10 3.223 4.634 4.453 1.00 1.00 H new ATOM 0 HB2 GLU A 10 0.581 3.268 3.910 1.00 1.00 H new ATOM 0 HB3 GLU A 10 1.087 4.628 2.928 1.00 1.00 H new ATOM 0 HG2 GLU A 10 3.185 3.531 2.480 1.00 1.00 H new ATOM 0 HG3 GLU A 10 2.690 2.174 3.472 1.00 1.00 H new ATOM 140 N ALA A 11 2.048 6.347 6.197 1.00 1.00 N ATOM 141 CA ALA A 11 1.615 7.542 6.613 1.00 1.00 C ATOM 142 C ALA A 11 2.716 8.110 7.405 1.00 1.00 C ATOM 143 O ALA A 11 3.025 7.620 8.487 1.00 1.00 O ATOM 144 CB ALA A 11 0.381 7.468 7.358 1.00 1.00 C ATOM 0 H ALA A 11 2.847 5.986 6.718 1.00 1.00 H new ATOM 0 HA ALA A 11 1.367 8.179 5.764 1.00 1.00 H new ATOM 0 HB1 ALA A 11 0.082 8.470 7.667 1.00 1.00 H new ATOM 0 HB2 ALA A 11 -0.398 7.035 6.730 1.00 1.00 H new ATOM 0 HB3 ALA A 11 0.525 6.844 8.240 1.00 1.00 H new ATOM 150 N ASN A 12 3.236 9.103 6.924 1.00 1.00 N ATOM 151 CA ASN A 12 4.350 9.879 7.584 1.00 1.00 C ATOM 152 C ASN A 12 5.238 10.739 6.475 1.00 1.00 C ATOM 153 O ASN A 12 6.444 10.900 6.618 1.00 1.00 O ATOM 154 CB ASN A 12 5.249 8.904 8.426 1.00 1.00 C ATOM 155 CG ASN A 12 6.678 9.429 8.588 1.00 1.00 C ATOM 156 OD1 ASN A 12 7.584 9.004 7.865 1.00 1.00 O ATOM 157 ND2 ASN A 12 6.937 10.331 9.501 1.00 1.00 N ATOM 0 H ASN A 12 2.953 9.491 6.024 1.00 1.00 H new ATOM 0 HA ASN A 12 3.911 10.612 8.261 1.00 1.00 H new ATOM 0 HB2 ASN A 12 4.803 8.760 9.410 1.00 1.00 H new ATOM 0 HB3 ASN A 12 5.275 7.928 7.942 1.00 1.00 H new ATOM 0 HD21 ASN A 12 7.888 10.683 9.615 1.00 1.00 H new ATOM 0 HD22 ASN A 12 6.188 10.682 10.098 1.00 1.00 H new ATOM 164 N ASN A 13 4.542 11.367 5.454 1.00 1.00 N ATOM 165 CA ASN A 13 5.211 12.247 4.495 1.00 1.00 C ATOM 166 C ASN A 13 4.204 12.760 3.399 1.00 1.00 C ATOM 167 O ASN A 13 3.155 12.154 3.177 1.00 1.00 O ATOM 168 CB ASN A 13 6.387 11.552 3.812 1.00 1.00 C ATOM 169 CG ASN A 13 7.652 12.449 3.793 1.00 1.00 C ATOM 170 OD1 ASN A 13 8.139 12.811 2.723 1.00 1.00 O ATOM 171 ND2 ASN A 13 8.201 12.816 4.920 1.00 1.00 N ATOM 0 H ASN A 13 3.539 11.263 5.302 1.00 1.00 H new ATOM 0 HA ASN A 13 5.591 13.096 5.063 1.00 1.00 H new ATOM 0 HB2 ASN A 13 6.610 10.620 4.331 1.00 1.00 H new ATOM 0 HB3 ASN A 13 6.111 11.290 2.790 1.00 1.00 H new ATOM 0 HD21 ASN A 13 9.035 13.404 4.914 1.00 1.00 H new ATOM 0 HD22 ASN A 13 7.796 12.515 5.806 1.00 1.00 H new ATOM 178 N PRO A 14 4.549 13.865 2.707 1.00 1.00 N ATOM 179 CA PRO A 14 3.712 14.450 1.623 1.00 1.00 C ATOM 180 C PRO A 14 4.027 13.856 0.231 1.00 1.00 C ATOM 181 O PRO A 14 3.113 13.647 -0.568 1.00 1.00 O ATOM 182 CB PRO A 14 4.015 15.958 1.689 1.00 1.00 C ATOM 183 CG PRO A 14 5.146 16.069 2.694 1.00 1.00 C ATOM 184 CD PRO A 14 5.701 14.645 2.884 1.00 1.00 C ATOM 0 HA PRO A 14 2.654 14.228 1.765 1.00 1.00 H new ATOM 0 HB2 PRO A 14 4.309 16.348 0.714 1.00 1.00 H new ATOM 0 HB3 PRO A 14 3.141 16.526 2.009 1.00 1.00 H new ATOM 0 HG2 PRO A 14 5.922 16.743 2.332 1.00 1.00 H new ATOM 0 HG3 PRO A 14 4.787 16.475 3.640 1.00 1.00 H new ATOM 0 HD2 PRO A 14 6.474 14.406 2.153 1.00 1.00 H new ATOM 0 HD3 PRO A 14 6.142 14.506 3.871 1.00 1.00 H new ATOM 192 N GLY A 15 5.261 13.557 -0.039 1.00 1.00 N ATOM 193 CA GLY A 15 5.619 12.928 -1.367 1.00 1.00 C ATOM 194 C GLY A 15 4.735 11.780 -1.549 1.00 1.00 C ATOM 195 O GLY A 15 3.885 11.701 -2.435 1.00 1.00 O ATOM 0 H GLY A 15 6.048 13.714 0.591 1.00 1.00 H new ATOM 0 HA2 GLY A 15 5.493 13.644 -2.179 1.00 1.00 H new ATOM 0 HA3 GLY A 15 6.663 12.616 -1.377 1.00 1.00 H new ATOM 199 N GLY A 16 4.942 10.979 -0.706 1.00 1.00 N ATOM 200 CA GLY A 16 4.250 9.751 -0.541 1.00 1.00 C ATOM 201 C GLY A 16 3.976 9.625 0.886 1.00 1.00 C ATOM 202 O GLY A 16 4.039 10.624 1.609 1.00 1.00 O ATOM 0 H GLY A 16 5.666 11.115 -0.001 1.00 1.00 H new ATOM 0 HA2 GLY A 16 3.324 9.746 -1.117 1.00 1.00 H new ATOM 0 HA3 GLY A 16 4.852 8.915 -0.897 1.00 1.00 H new ATOM 206 N PRO A 17 3.690 8.480 1.375 1.00 1.00 N ATOM 207 CA PRO A 17 3.417 8.305 2.835 1.00 1.00 C ATOM 208 C PRO A 17 4.651 8.470 3.454 1.00 1.00 C ATOM 209 O PRO A 17 5.444 9.203 2.941 1.00 1.00 O ATOM 210 CB PRO A 17 2.976 6.828 2.834 1.00 1.00 C ATOM 211 CG PRO A 17 2.560 6.579 1.489 1.00 1.00 C ATOM 212 CD PRO A 17 3.567 7.254 0.688 1.00 1.00 C ATOM 0 HA PRO A 17 2.700 8.966 3.321 1.00 1.00 H new ATOM 0 HB2 PRO A 17 3.794 6.169 3.125 1.00 1.00 H new ATOM 0 HB3 PRO A 17 2.163 6.656 3.539 1.00 1.00 H new ATOM 0 HG2 PRO A 17 2.525 5.511 1.272 1.00 1.00 H new ATOM 0 HG3 PRO A 17 1.563 6.976 1.298 1.00 1.00 H new ATOM 0 HD2 PRO A 17 4.507 6.703 0.659 1.00 1.00 H new ATOM 0 HD3 PRO A 17 3.247 7.392 -0.345 1.00 1.00 H new ATOM 220 N ASN A 18 4.936 7.727 4.597 1.00 1.00 N ATOM 221 CA ASN A 18 6.268 7.789 5.177 1.00 1.00 C ATOM 222 C ASN A 18 7.293 7.824 3.976 1.00 1.00 C ATOM 223 O ASN A 18 8.499 7.968 4.161 1.00 1.00 O ATOM 224 CB ASN A 18 6.555 6.478 6.067 1.00 1.00 C ATOM 225 CG ASN A 18 5.265 5.676 6.296 1.00 1.00 C ATOM 226 OD1 ASN A 18 4.332 6.165 6.874 1.00 1.00 O ATOM 227 ND2 ASN A 18 5.189 4.448 5.868 1.00 1.00 N ATOM 0 H ASN A 18 4.274 7.122 5.083 1.00 1.00 H new ATOM 0 HA ASN A 18 6.361 8.667 5.816 1.00 1.00 H new ATOM 0 HB2 ASN A 18 7.294 5.851 5.569 1.00 1.00 H new ATOM 0 HB3 ASN A 18 6.980 6.771 7.027 1.00 1.00 H new ATOM 0 HD21 ASN A 18 4.340 3.905 6.024 1.00 1.00 H new ATOM 0 HD22 ASN A 18 5.979 4.029 5.377 1.00 1.00 H new ATOM 234 N ARG A 19 6.664 7.590 2.704 1.00 1.00 N ATOM 235 CA ARG A 19 7.292 7.507 1.496 1.00 1.00 C ATOM 236 C ARG A 19 7.691 6.259 1.476 1.00 1.00 C ATOM 237 O ARG A 19 8.744 5.951 1.992 1.00 1.00 O ATOM 238 CB ARG A 19 8.398 8.607 1.295 1.00 1.00 C ATOM 239 CG ARG A 19 7.729 9.831 0.640 1.00 1.00 C ATOM 240 CD ARG A 19 7.798 9.700 -0.923 1.00 1.00 C ATOM 241 NE ARG A 19 9.046 10.278 -1.407 1.00 1.00 N ATOM 242 CZ ARG A 19 9.206 10.611 -2.682 1.00 1.00 C ATOM 243 NH1 ARG A 19 8.238 10.424 -3.537 1.00 1.00 N ATOM 244 NH2 ARG A 19 10.338 11.132 -3.078 1.00 1.00 N ATOM 0 H ARG A 19 5.655 7.465 2.623 1.00 1.00 H new ATOM 0 HA ARG A 19 6.659 7.729 0.637 1.00 1.00 H new ATOM 0 HB2 ARG A 19 8.843 8.881 2.252 1.00 1.00 H new ATOM 0 HB3 ARG A 19 9.203 8.229 0.665 1.00 1.00 H new ATOM 0 HG2 ARG A 19 6.691 9.906 0.963 1.00 1.00 H new ATOM 0 HG3 ARG A 19 8.229 10.745 0.960 1.00 1.00 H new ATOM 0 HD2 ARG A 19 7.734 8.651 -1.213 1.00 1.00 H new ATOM 0 HD3 ARG A 19 6.949 10.209 -1.379 1.00 1.00 H new ATOM 0 HE ARG A 19 9.813 10.430 -0.752 1.00 1.00 H new ATOM 0 HH11 ARG A 19 7.354 10.021 -3.226 1.00 1.00 H new ATOM 0 HH12 ARG A 19 8.365 10.681 -4.516 1.00 1.00 H new ATOM 0 HH21 ARG A 19 11.093 11.281 -2.408 1.00 1.00 H new ATOM 0 HH22 ARG A 19 10.466 11.390 -4.057 1.00 1.00 H new ATOM 258 N CYS A 20 6.663 5.316 0.813 1.00 1.00 N ATOM 259 CA CYS A 20 6.842 3.827 0.687 1.00 1.00 C ATOM 260 C CYS A 20 8.292 3.733 1.164 1.00 1.00 C ATOM 261 O CYS A 20 9.153 4.407 0.587 1.00 1.00 O ATOM 262 CB CYS A 20 6.559 3.425 -0.830 1.00 1.00 C ATOM 263 SG CYS A 20 6.521 1.519 -1.248 1.00 1.00 S ATOM 0 H CYS A 20 5.786 5.651 0.414 1.00 1.00 H new ATOM 0 HA CYS A 20 6.191 3.152 1.242 1.00 1.00 H new ATOM 0 HB2 CYS A 20 5.601 3.855 -1.121 1.00 1.00 H new ATOM 0 HB3 CYS A 20 7.321 3.893 -1.453 1.00 1.00 H new ATOM 268 N SER A 21 8.561 3.048 2.187 1.00 1.00 N ATOM 269 CA SER A 21 9.983 3.102 2.769 1.00 1.00 C ATOM 270 C SER A 21 10.637 1.750 3.256 1.00 1.00 C ATOM 271 O SER A 21 11.702 1.780 3.871 1.00 1.00 O ATOM 272 CB SER A 21 9.872 4.081 3.953 1.00 1.00 C ATOM 273 OG SER A 21 10.771 3.698 4.990 1.00 1.00 O ATOM 0 H SER A 21 7.905 2.443 2.680 1.00 1.00 H new ATOM 0 HA SER A 21 10.655 3.397 1.963 1.00 1.00 H new ATOM 0 HB2 SER A 21 10.099 5.094 3.620 1.00 1.00 H new ATOM 0 HB3 SER A 21 8.850 4.091 4.332 1.00 1.00 H new ATOM 0 HG SER A 21 11.620 3.408 4.596 1.00 1.00 H new ATOM 279 N ASN A 22 10.041 0.624 2.973 1.00 1.00 N ATOM 280 CA ASN A 22 10.630 -0.650 3.384 1.00 1.00 C ATOM 281 C ASN A 22 10.107 -1.719 2.549 1.00 1.00 C ATOM 282 O ASN A 22 9.078 -1.574 1.937 1.00 1.00 O ATOM 283 CB ASN A 22 10.282 -0.899 4.856 1.00 1.00 C ATOM 284 CG ASN A 22 11.353 -1.730 5.579 1.00 1.00 C ATOM 285 OD1 ASN A 22 11.027 -2.455 6.524 1.00 1.00 O ATOM 286 ND2 ASN A 22 12.593 -1.677 5.207 1.00 1.00 N ATOM 0 H ASN A 22 9.159 0.547 2.467 1.00 1.00 H new ATOM 0 HA ASN A 22 11.714 -0.621 3.269 1.00 1.00 H new ATOM 0 HB2 ASN A 22 10.163 0.057 5.365 1.00 1.00 H new ATOM 0 HB3 ASN A 22 9.323 -1.414 4.918 1.00 1.00 H new ATOM 0 HD21 ASN A 22 13.296 -2.233 5.694 1.00 1.00 H new ATOM 0 HD22 ASN A 22 12.866 -1.079 4.427 1.00 1.00 H new ATOM 293 N ASN A 23 10.779 -2.861 2.554 1.00 1.00 N ATOM 294 CA ASN A 23 10.284 -3.936 1.817 1.00 1.00 C ATOM 295 C ASN A 23 9.915 -3.502 0.376 1.00 1.00 C ATOM 296 O ASN A 23 8.789 -3.631 -0.039 1.00 1.00 O ATOM 297 CB ASN A 23 9.041 -4.490 2.638 1.00 1.00 C ATOM 298 CG ASN A 23 8.913 -3.789 4.009 1.00 1.00 C ATOM 299 OD1 ASN A 23 7.850 -3.343 4.397 1.00 1.00 O ATOM 300 ND2 ASN A 23 9.934 -3.689 4.726 1.00 1.00 N ATOM 0 H ASN A 23 11.648 -3.033 3.060 1.00 1.00 H new ATOM 0 HA ASN A 23 11.028 -4.722 1.688 1.00 1.00 H new ATOM 0 HB2 ASN A 23 8.127 -4.339 2.064 1.00 1.00 H new ATOM 0 HB3 ASN A 23 9.150 -5.564 2.786 1.00 1.00 H new ATOM 0 HD21 ASN A 23 9.875 -3.233 5.637 1.00 1.00 H new ATOM 0 HD22 ASN A 23 10.825 -4.063 4.400 1.00 1.00 H new ATOM 307 N LYS A 24 10.924 -2.853 -0.322 1.00 1.00 N ATOM 308 CA LYS A 24 10.759 -2.245 -1.666 1.00 1.00 C ATOM 309 C LYS A 24 10.095 -0.931 -1.505 1.00 1.00 C ATOM 310 O LYS A 24 9.774 -0.295 -2.480 1.00 1.00 O ATOM 311 CB LYS A 24 10.006 -3.071 -2.665 1.00 1.00 C ATOM 312 CG LYS A 24 10.726 -4.331 -3.032 1.00 1.00 C ATOM 313 CD LYS A 24 9.728 -5.276 -3.877 1.00 1.00 C ATOM 314 CE LYS A 24 10.357 -5.674 -5.250 1.00 1.00 C ATOM 315 NZ LYS A 24 10.159 -4.560 -6.230 1.00 1.00 N ATOM 0 H LYS A 24 11.868 -2.748 0.051 1.00 1.00 H new ATOM 0 HA LYS A 24 11.763 -2.157 -2.082 1.00 1.00 H new ATOM 0 HB2 LYS A 24 9.027 -3.322 -2.258 1.00 1.00 H new ATOM 0 HB3 LYS A 24 9.835 -2.480 -3.565 1.00 1.00 H new ATOM 0 HG2 LYS A 24 11.614 -4.100 -3.620 1.00 1.00 H new ATOM 0 HG3 LYS A 24 11.064 -4.848 -2.134 1.00 1.00 H new ATOM 0 HD2 LYS A 24 9.501 -6.175 -3.304 1.00 1.00 H new ATOM 0 HD3 LYS A 24 8.784 -4.757 -4.043 1.00 1.00 H new ATOM 0 HE2 LYS A 24 11.420 -5.882 -5.129 1.00 1.00 H new ATOM 0 HE3 LYS A 24 9.894 -6.588 -5.623 1.00 1.00 H new ATOM 0 HZ1 LYS A 24 10.577 -4.824 -7.145 1.00 1.00 H new ATOM 0 HZ2 LYS A 24 9.142 -4.383 -6.353 1.00 1.00 H new ATOM 0 HZ3 LYS A 24 10.620 -3.698 -5.874 1.00 1.00 H new ATOM 329 N GLN A 25 9.934 -0.540 -0.208 1.00 1.00 N ATOM 330 CA GLN A 25 9.356 0.694 0.209 1.00 1.00 C ATOM 331 C GLN A 25 8.023 0.502 0.731 1.00 1.00 C ATOM 332 O GLN A 25 7.504 1.374 1.296 1.00 1.00 O ATOM 333 CB GLN A 25 9.408 1.780 -0.881 1.00 1.00 C ATOM 334 CG GLN A 25 10.832 2.380 -0.973 1.00 1.00 C ATOM 335 CD GLN A 25 11.420 2.218 -2.403 1.00 1.00 C ATOM 336 OE1 GLN A 25 12.360 1.450 -2.606 1.00 1.00 O ATOM 337 NE2 GLN A 25 10.908 2.903 -3.393 1.00 1.00 N ATOM 0 H GLN A 25 10.226 -1.124 0.576 1.00 1.00 H new ATOM 0 HA GLN A 25 9.973 1.069 1.025 1.00 1.00 H new ATOM 0 HB2 GLN A 25 9.123 1.354 -1.843 1.00 1.00 H new ATOM 0 HB3 GLN A 25 8.688 2.567 -0.655 1.00 1.00 H new ATOM 0 HG2 GLN A 25 10.802 3.437 -0.707 1.00 1.00 H new ATOM 0 HG3 GLN A 25 11.484 1.888 -0.251 1.00 1.00 H new ATOM 0 HE21 GLN A 25 10.129 3.539 -3.224 1.00 1.00 H new ATOM 0 HE22 GLN A 25 11.288 2.801 -4.334 1.00 1.00 H new ATOM 346 N CYS A 26 7.424 -0.618 0.567 1.00 1.00 N ATOM 347 CA CYS A 26 6.038 -0.759 1.128 1.00 1.00 C ATOM 348 C CYS A 26 5.989 -1.731 2.409 1.00 1.00 C ATOM 349 O CYS A 26 6.846 -1.639 3.255 1.00 1.00 O ATOM 350 CB CYS A 26 5.076 -1.048 -0.098 1.00 1.00 C ATOM 351 SG CYS A 26 4.669 0.680 -0.878 1.00 1.00 S ATOM 0 H CYS A 26 7.802 -1.434 0.086 1.00 1.00 H new ATOM 0 HA CYS A 26 5.662 0.154 1.590 1.00 1.00 H new ATOM 0 HB2 CYS A 26 5.557 -1.701 -0.826 1.00 1.00 H new ATOM 0 HB3 CYS A 26 4.167 -1.552 0.230 1.00 1.00 H new ATOM 356 N ASP A 27 5.033 -2.601 2.446 1.00 1.00 N ATOM 357 CA ASP A 27 4.809 -3.540 3.412 1.00 1.00 C ATOM 358 C ASP A 27 3.548 -4.098 3.111 1.00 1.00 C ATOM 359 O ASP A 27 2.627 -3.403 2.674 1.00 1.00 O ATOM 360 CB ASP A 27 4.983 -3.067 4.869 1.00 1.00 C ATOM 361 CG ASP A 27 5.691 -4.135 5.723 1.00 1.00 C ATOM 362 OD1 ASP A 27 5.379 -5.299 5.573 1.00 1.00 O ATOM 363 OD2 ASP A 27 6.541 -3.760 6.515 1.00 1.00 O ATOM 0 H ASP A 27 4.334 -2.647 1.705 1.00 1.00 H new ATOM 0 HA ASP A 27 5.590 -4.299 3.381 1.00 1.00 H new ATOM 0 HB2 ASP A 27 5.560 -2.143 4.887 1.00 1.00 H new ATOM 0 HB3 ASP A 27 4.007 -2.842 5.300 1.00 1.00 H new ATOM 368 N GLY A 28 3.489 -5.392 3.214 1.00 1.00 N ATOM 369 CA GLY A 28 2.380 -6.123 2.844 1.00 1.00 C ATOM 370 C GLY A 28 2.801 -7.496 2.077 1.00 1.00 C ATOM 371 O GLY A 28 2.023 -8.055 1.419 1.00 1.00 O ATOM 0 H GLY A 28 4.255 -5.960 3.575 1.00 1.00 H new ATOM 0 HA2 GLY A 28 1.790 -6.365 3.728 1.00 1.00 H new ATOM 0 HA3 GLY A 28 1.746 -5.521 2.193 1.00 1.00 H new ATOM 375 N ALA A 29 4.051 -7.983 2.322 1.00 1.00 N ATOM 376 CA ALA A 29 4.579 -9.262 1.794 1.00 1.00 C ATOM 377 C ALA A 29 5.994 -9.160 1.337 1.00 1.00 C ATOM 378 O ALA A 29 6.690 -10.172 1.289 1.00 1.00 O ATOM 379 CB ALA A 29 3.647 -9.902 0.686 1.00 1.00 C ATOM 0 H ALA A 29 4.726 -7.485 2.902 1.00 1.00 H new ATOM 0 HA ALA A 29 4.574 -9.949 2.640 1.00 1.00 H new ATOM 0 HB1 ALA A 29 4.086 -10.837 0.337 1.00 1.00 H new ATOM 0 HB2 ALA A 29 2.662 -10.099 1.109 1.00 1.00 H new ATOM 0 HB3 ALA A 29 3.551 -9.211 -0.152 1.00 1.00 H new ATOM 385 N ARG A 30 6.440 -7.977 0.909 1.00 1.00 N ATOM 386 CA ARG A 30 7.862 -7.905 0.342 1.00 1.00 C ATOM 387 C ARG A 30 8.934 -8.719 1.279 1.00 1.00 C ATOM 388 O ARG A 30 8.622 -9.264 2.337 1.00 1.00 O ATOM 389 CB ARG A 30 8.403 -6.358 -0.057 1.00 1.00 C ATOM 390 CG ARG A 30 7.566 -5.736 -1.117 1.00 1.00 C ATOM 391 CD ARG A 30 6.453 -4.691 -0.631 1.00 1.00 C ATOM 392 NE ARG A 30 6.750 -3.406 -1.205 1.00 1.00 N ATOM 393 CZ ARG A 30 6.669 -3.164 -2.561 1.00 1.00 C ATOM 394 NH1 ARG A 30 6.440 -4.145 -3.412 1.00 1.00 N ATOM 395 NH2 ARG A 30 6.885 -1.936 -3.011 1.00 1.00 N ATOM 0 H ARG A 30 5.917 -7.101 0.923 1.00 1.00 H new ATOM 0 HA ARG A 30 7.799 -8.415 -0.619 1.00 1.00 H new ATOM 0 HB2 ARG A 30 8.390 -5.728 0.832 1.00 1.00 H new ATOM 0 HB3 ARG A 30 9.438 -6.411 -0.395 1.00 1.00 H new ATOM 0 HG2 ARG A 30 8.227 -5.228 -1.819 1.00 1.00 H new ATOM 0 HG3 ARG A 30 7.067 -6.533 -1.669 1.00 1.00 H new ATOM 0 HD2 ARG A 30 5.462 -5.023 -0.939 1.00 1.00 H new ATOM 0 HD3 ARG A 30 6.444 -4.627 0.457 1.00 1.00 H new ATOM 0 HE ARG A 30 7.031 -2.645 -0.586 1.00 1.00 H new ATOM 0 HH11 ARG A 30 6.320 -5.099 -3.071 1.00 1.00 H new ATOM 0 HH12 ARG A 30 6.383 -3.950 -4.412 1.00 1.00 H new ATOM 0 HH21 ARG A 30 7.108 -1.185 -2.357 1.00 1.00 H new ATOM 0 HH22 ARG A 30 6.829 -1.742 -4.011 1.00 1.00 H new ATOM 409 N THR A 31 10.092 -8.807 0.704 1.00 1.00 N ATOM 410 CA THR A 31 11.219 -9.504 1.125 1.00 1.00 C ATOM 411 C THR A 31 12.425 -8.764 0.894 1.00 1.00 C ATOM 412 O THR A 31 12.508 -8.245 -0.044 1.00 1.00 O ATOM 413 CB THR A 31 11.266 -10.688 0.066 1.00 1.00 C ATOM 414 OG1 THR A 31 11.612 -10.262 -1.196 1.00 1.00 O ATOM 415 CG2 THR A 31 9.895 -11.328 0.009 1.00 1.00 C ATOM 0 H THR A 31 10.267 -8.325 -0.178 1.00 1.00 H new ATOM 0 HA THR A 31 11.163 -9.759 2.183 1.00 1.00 H new ATOM 0 HB THR A 31 12.031 -11.395 0.388 1.00 1.00 H new ATOM 0 HG1 THR A 31 11.906 -11.029 -1.731 1.00 1.00 H new ATOM 0 HG21 THR A 31 9.904 -12.145 -0.713 1.00 1.00 H new ATOM 0 HG22 THR A 31 9.634 -11.717 0.993 1.00 1.00 H new ATOM 0 HG23 THR A 31 9.158 -10.584 -0.294 1.00 1.00 H new ATOM 423 N CYS A 32 13.355 -8.652 1.756 1.00 1.00 N ATOM 424 CA CYS A 32 14.609 -7.744 1.335 1.00 1.00 C ATOM 425 C CYS A 32 15.546 -8.484 0.484 1.00 1.00 C ATOM 426 O CYS A 32 15.293 -9.586 0.034 1.00 1.00 O ATOM 427 CB CYS A 32 15.333 -6.943 2.591 1.00 1.00 C ATOM 428 SG CYS A 32 16.647 -5.815 2.044 1.00 1.00 S ATOM 0 H CYS A 32 13.383 -9.079 2.682 1.00 1.00 H new ATOM 0 HA CYS A 32 14.203 -6.935 0.728 1.00 1.00 H new ATOM 0 HB2 CYS A 32 14.579 -6.377 3.137 1.00 1.00 H new ATOM 0 HB3 CYS A 32 15.751 -7.670 3.287 1.00 1.00 H new ATOM 433 N SER A 33 16.600 -7.891 0.319 1.00 1.00 N ATOM 434 CA SER A 33 17.710 -8.520 -0.513 1.00 1.00 C ATOM 435 C SER A 33 18.427 -9.479 0.299 1.00 1.00 C ATOM 436 O SER A 33 19.347 -10.177 -0.131 1.00 1.00 O ATOM 437 CB SER A 33 18.539 -7.557 -1.164 1.00 1.00 C ATOM 438 OG SER A 33 19.662 -8.207 -1.754 1.00 1.00 O ATOM 0 H SER A 33 16.816 -6.972 0.704 1.00 1.00 H new ATOM 0 HA SER A 33 17.265 -9.063 -1.347 1.00 1.00 H new ATOM 0 HB2 SER A 33 17.969 -7.030 -1.929 1.00 1.00 H new ATOM 0 HB3 SER A 33 18.876 -6.809 -0.446 1.00 1.00 H new ATOM 0 HG SER A 33 19.612 -9.170 -1.579 1.00 1.00 H new ATOM 444 N SER A 34 17.927 -9.579 1.388 1.00 1.00 N ATOM 445 CA SER A 34 18.246 -10.452 2.390 1.00 1.00 C ATOM 446 C SER A 34 16.828 -11.165 2.818 1.00 1.00 C ATOM 447 O SER A 34 16.768 -11.841 3.840 1.00 1.00 O ATOM 448 CB SER A 34 18.817 -9.686 3.523 1.00 1.00 C ATOM 449 OG SER A 34 19.153 -10.571 4.585 1.00 1.00 O ATOM 0 H SER A 34 17.161 -8.964 1.664 1.00 1.00 H new ATOM 0 HA SER A 34 18.981 -11.198 2.088 1.00 1.00 H new ATOM 0 HB2 SER A 34 19.704 -9.143 3.196 1.00 1.00 H new ATOM 0 HB3 SER A 34 18.099 -8.943 3.870 1.00 1.00 H new ATOM 0 HG SER A 34 18.546 -11.341 4.574 1.00 1.00 H new ATOM 455 N SER A 35 15.659 -10.976 1.913 1.00 1.00 N ATOM 456 CA SER A 35 14.425 -11.532 2.126 1.00 1.00 C ATOM 457 C SER A 35 13.792 -10.933 3.235 1.00 1.00 C ATOM 458 O SER A 35 12.616 -11.173 3.518 1.00 1.00 O ATOM 459 CB SER A 35 14.510 -12.961 2.326 1.00 1.00 C ATOM 460 OG SER A 35 15.294 -13.542 1.299 1.00 1.00 O ATOM 0 H SER A 35 15.705 -10.412 1.065 1.00 1.00 H new ATOM 0 HA SER A 35 13.831 -11.348 1.231 1.00 1.00 H new ATOM 0 HB2 SER A 35 14.951 -13.176 3.299 1.00 1.00 H new ATOM 0 HB3 SER A 35 13.511 -13.398 2.325 1.00 1.00 H new ATOM 0 HG SER A 35 15.351 -14.510 1.439 1.00 1.00 H new ATOM 466 N GLY A 36 14.554 -10.142 3.909 1.00 1.00 N ATOM 467 CA GLY A 36 14.076 -9.486 5.032 1.00 1.00 C ATOM 468 C GLY A 36 12.814 -8.851 4.675 1.00 1.00 C ATOM 469 O GLY A 36 11.747 -9.344 5.013 1.00 1.00 O ATOM 0 H GLY A 36 15.528 -9.945 3.679 1.00 1.00 H new ATOM 0 HA2 GLY A 36 13.931 -10.189 5.852 1.00 1.00 H new ATOM 0 HA3 GLY A 36 14.795 -8.741 5.374 1.00 1.00 H new ATOM 473 N PHE A 37 12.903 -7.792 3.967 1.00 1.00 N ATOM 474 CA PHE A 37 11.826 -7.133 3.572 1.00 1.00 C ATOM 475 C PHE A 37 12.268 -5.916 2.822 1.00 1.00 C ATOM 476 O PHE A 37 12.299 -4.851 3.398 1.00 1.00 O ATOM 477 CB PHE A 37 10.941 -6.714 4.852 1.00 1.00 C ATOM 478 CG PHE A 37 11.838 -6.344 6.076 1.00 1.00 C ATOM 479 CD1 PHE A 37 12.379 -5.011 6.227 1.00 1.00 C ATOM 480 CD2 PHE A 37 12.132 -7.321 7.060 1.00 1.00 C ATOM 481 CE1 PHE A 37 13.187 -4.717 7.341 1.00 1.00 C ATOM 482 CE2 PHE A 37 12.942 -7.002 8.155 1.00 1.00 C ATOM 483 CZ PHE A 37 13.468 -5.714 8.297 1.00 1.00 C ATOM 0 H PHE A 37 13.785 -7.383 3.660 1.00 1.00 H new ATOM 0 HA PHE A 37 11.214 -7.762 2.925 1.00 1.00 H new ATOM 0 HB2 PHE A 37 10.308 -5.865 4.595 1.00 1.00 H new ATOM 0 HB3 PHE A 37 10.278 -7.536 5.121 1.00 1.00 H new ATOM 0 HD1 PHE A 37 12.165 -4.249 5.492 1.00 1.00 H new ATOM 0 HD2 PHE A 37 11.728 -8.318 6.964 1.00 1.00 H new ATOM 0 HE1 PHE A 37 13.593 -3.724 7.464 1.00 1.00 H new ATOM 0 HE2 PHE A 37 13.163 -7.756 8.896 1.00 1.00 H new ATOM 0 HZ PHE A 37 14.094 -5.481 9.146 1.00 1.00 H new ATOM 493 N CYS A 38 12.672 -6.018 1.397 1.00 1.00 N ATOM 494 CA CYS A 38 13.094 -4.853 0.612 1.00 1.00 C ATOM 495 C CYS A 38 13.215 -5.216 -0.801 1.00 1.00 C ATOM 496 O CYS A 38 13.882 -4.567 -1.605 1.00 1.00 O ATOM 497 CB CYS A 38 14.376 -4.193 1.147 1.00 1.00 C ATOM 498 SG CYS A 38 15.844 -4.965 0.464 1.00 1.00 S ATOM 0 H CYS A 38 12.683 -6.895 0.876 1.00 1.00 H new ATOM 0 HA CYS A 38 12.317 -4.095 0.714 1.00 1.00 H new ATOM 0 HB2 CYS A 38 14.372 -3.132 0.898 1.00 1.00 H new ATOM 0 HB3 CYS A 38 14.398 -4.265 2.234 1.00 1.00 H new ATOM 503 N GLN A 39 12.600 -6.275 -1.063 1.00 1.00 N ATOM 504 CA GLN A 39 12.559 -6.908 -2.318 1.00 1.00 C ATOM 505 C GLN A 39 11.385 -7.865 -2.324 1.00 1.00 C ATOM 506 O GLN A 39 10.994 -8.299 -1.355 1.00 1.00 O ATOM 507 CB GLN A 39 13.964 -7.609 -2.512 1.00 1.00 C ATOM 508 CG GLN A 39 13.956 -9.099 -2.271 1.00 1.00 C ATOM 509 CD GLN A 39 13.163 -9.827 -3.366 1.00 1.00 C ATOM 510 OE1 GLN A 39 12.794 -10.990 -3.199 1.00 1.00 O ATOM 511 NE2 GLN A 39 12.877 -9.203 -4.480 1.00 1.00 N ATOM 0 H GLN A 39 12.062 -6.775 -0.355 1.00 1.00 H new ATOM 0 HA GLN A 39 12.404 -6.226 -3.154 1.00 1.00 H new ATOM 0 HB2 GLN A 39 14.314 -7.419 -3.527 1.00 1.00 H new ATOM 0 HB3 GLN A 39 14.683 -7.148 -1.835 1.00 1.00 H new ATOM 0 HG2 GLN A 39 14.980 -9.473 -2.248 1.00 1.00 H new ATOM 0 HG3 GLN A 39 13.517 -9.311 -1.296 1.00 1.00 H new ATOM 0 HE21 GLN A 39 13.183 -8.240 -4.618 1.00 1.00 H new ATOM 0 HE22 GLN A 39 12.348 -9.680 -5.210 1.00 1.00 H new ATOM 520 N GLY A 40 10.785 -8.108 -3.468 1.00 1.00 N ATOM 521 CA GLY A 40 9.598 -9.035 -3.508 1.00 1.00 C ATOM 522 C GLY A 40 8.242 -8.395 -3.927 1.00 1.00 C ATOM 523 O GLY A 40 8.068 -7.971 -5.068 1.00 1.00 O ATOM 0 H GLY A 40 11.059 -7.712 -4.367 1.00 1.00 H new ATOM 0 HA2 GLY A 40 9.821 -9.848 -4.198 1.00 1.00 H new ATOM 0 HA3 GLY A 40 9.477 -9.480 -2.520 1.00 1.00 H new ATOM 527 N THR A 41 7.236 -8.436 -2.976 1.00 1.00 N ATOM 528 CA THR A 41 5.824 -7.938 -3.290 1.00 1.00 C ATOM 529 C THR A 41 5.018 -7.344 -2.011 1.00 1.00 C ATOM 530 O THR A 41 5.111 -7.870 -0.951 1.00 1.00 O ATOM 531 CB THR A 41 5.039 -9.189 -3.851 1.00 1.00 C ATOM 532 OG1 THR A 41 4.312 -8.817 -5.016 1.00 1.00 O ATOM 533 CG2 THR A 41 4.066 -9.760 -2.803 1.00 1.00 C ATOM 0 H THR A 41 7.360 -8.790 -2.027 1.00 1.00 H new ATOM 0 HA THR A 41 5.901 -7.109 -3.993 1.00 1.00 H new ATOM 0 HB THR A 41 5.769 -9.960 -4.096 1.00 1.00 H new ATOM 0 HG1 THR A 41 3.828 -9.596 -5.362 1.00 1.00 H new ATOM 0 HG21 THR A 41 3.543 -10.619 -3.222 1.00 1.00 H new ATOM 0 HG22 THR A 41 4.624 -10.071 -1.920 1.00 1.00 H new ATOM 0 HG23 THR A 41 3.342 -8.995 -2.524 1.00 1.00 H new ATOM 541 N SER A 42 4.206 -6.301 -2.217 1.00 1.00 N ATOM 542 CA SER A 42 3.357 -5.734 -1.094 1.00 1.00 C ATOM 543 C SER A 42 2.028 -6.187 -1.273 1.00 1.00 C ATOM 544 O SER A 42 1.199 -5.447 -1.791 1.00 1.00 O ATOM 545 CB SER A 42 3.372 -4.096 -1.067 1.00 1.00 C ATOM 546 OG SER A 42 4.126 -3.614 -2.177 1.00 1.00 O ATOM 0 H SER A 42 4.100 -5.825 -3.113 1.00 1.00 H new ATOM 0 HA SER A 42 3.770 -6.076 -0.145 1.00 1.00 H new ATOM 0 HB2 SER A 42 2.353 -3.711 -1.110 1.00 1.00 H new ATOM 0 HB3 SER A 42 3.809 -3.740 -0.134 1.00 1.00 H new ATOM 0 HG SER A 42 4.005 -2.645 -2.259 1.00 1.00 H new ATOM 552 N ARG A 43 1.722 -7.446 -0.873 1.00 1.00 N ATOM 553 CA ARG A 43 0.373 -7.990 -1.034 1.00 1.00 C ATOM 554 C ARG A 43 -0.338 -7.395 -2.128 1.00 1.00 C ATOM 555 O ARG A 43 -1.374 -6.800 -1.945 1.00 1.00 O ATOM 556 CB ARG A 43 -0.406 -7.907 0.278 1.00 1.00 C ATOM 557 CG ARG A 43 -0.299 -6.414 0.969 1.00 1.00 C ATOM 558 CD ARG A 43 -1.566 -5.565 0.517 1.00 1.00 C ATOM 559 NE ARG A 43 -1.790 -4.469 1.460 1.00 1.00 N ATOM 560 CZ ARG A 43 -0.848 -3.524 1.658 1.00 1.00 C ATOM 561 NH1 ARG A 43 0.264 -3.548 0.964 1.00 1.00 N ATOM 562 NH2 ARG A 43 -1.047 -2.571 2.523 1.00 1.00 N ATOM 0 H ARG A 43 2.389 -8.087 -0.444 1.00 1.00 H new ATOM 0 HA ARG A 43 0.478 -9.044 -1.292 1.00 1.00 H new ATOM 0 HB2 ARG A 43 -1.453 -8.146 0.093 1.00 1.00 H new ATOM 0 HB3 ARG A 43 -0.026 -8.656 0.973 1.00 1.00 H new ATOM 0 HG2 ARG A 43 -0.266 -6.499 2.055 1.00 1.00 H new ATOM 0 HG3 ARG A 43 0.621 -5.917 0.661 1.00 1.00 H new ATOM 0 HD2 ARG A 43 -1.410 -5.168 -0.486 1.00 1.00 H new ATOM 0 HD3 ARG A 43 -2.447 -6.205 0.473 1.00 1.00 H new ATOM 0 HE ARG A 43 -2.670 -4.419 1.974 1.00 1.00 H new ATOM 0 HH11 ARG A 43 0.418 -4.282 0.273 1.00 1.00 H new ATOM 0 HH12 ARG A 43 0.975 -2.833 1.115 1.00 1.00 H new ATOM 0 HH21 ARG A 43 -1.918 -2.537 3.054 1.00 1.00 H new ATOM 0 HH22 ARG A 43 -0.332 -1.858 2.670 1.00 1.00 H new ATOM 576 N LYS A 44 0.205 -7.637 -3.383 1.00 1.00 N ATOM 577 CA LYS A 44 -0.465 -7.156 -4.582 1.00 1.00 C ATOM 578 C LYS A 44 -1.792 -7.328 -4.382 1.00 1.00 C ATOM 579 O LYS A 44 -2.228 -8.412 -4.490 1.00 1.00 O ATOM 580 CB LYS A 44 -0.045 -7.928 -5.831 1.00 1.00 C ATOM 581 CG LYS A 44 -0.897 -7.399 -7.056 1.00 1.00 C ATOM 582 CD LYS A 44 -0.104 -7.583 -8.364 1.00 1.00 C ATOM 583 CE LYS A 44 -1.007 -7.236 -9.609 1.00 1.00 C ATOM 584 NZ LYS A 44 -0.984 -8.377 -10.559 1.00 1.00 N ATOM 0 H LYS A 44 1.073 -8.146 -3.550 1.00 1.00 H new ATOM 0 HA LYS A 44 -0.199 -6.112 -4.749 1.00 1.00 H new ATOM 0 HB2 LYS A 44 1.019 -7.790 -6.022 1.00 1.00 H new ATOM 0 HB3 LYS A 44 -0.208 -8.996 -5.689 1.00 1.00 H new ATOM 0 HG2 LYS A 44 -1.842 -7.940 -7.114 1.00 1.00 H new ATOM 0 HG3 LYS A 44 -1.141 -6.346 -6.913 1.00 1.00 H new ATOM 0 HD2 LYS A 44 0.777 -6.941 -8.356 1.00 1.00 H new ATOM 0 HD3 LYS A 44 0.251 -8.611 -8.440 1.00 1.00 H new ATOM 0 HE2 LYS A 44 -2.029 -7.035 -9.288 1.00 1.00 H new ATOM 0 HE3 LYS A 44 -0.643 -6.332 -10.098 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 -1.578 -8.155 -11.383 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 -0.007 -8.548 -10.872 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 -1.351 -9.229 -10.088 1.00 1.00 H new ATOM 598 N PRO A 45 -2.582 -6.227 -3.982 1.00 1.00 N ATOM 599 CA PRO A 45 -4.021 -6.361 -3.714 1.00 1.00 C ATOM 600 C PRO A 45 -4.575 -7.085 -4.808 1.00 1.00 C ATOM 601 O PRO A 45 -5.341 -6.589 -5.631 1.00 1.00 O ATOM 602 CB PRO A 45 -4.499 -4.961 -3.591 1.00 1.00 C ATOM 603 CG PRO A 45 -3.311 -4.254 -3.074 1.00 1.00 C ATOM 604 CD PRO A 45 -2.152 -4.864 -3.775 1.00 1.00 C ATOM 0 HA PRO A 45 -4.299 -6.907 -2.813 1.00 1.00 H new ATOM 0 HB2 PRO A 45 -4.823 -4.559 -4.551 1.00 1.00 H new ATOM 0 HB3 PRO A 45 -5.346 -4.881 -2.909 1.00 1.00 H new ATOM 0 HG2 PRO A 45 -3.373 -3.184 -3.274 1.00 1.00 H new ATOM 0 HG3 PRO A 45 -3.223 -4.372 -1.994 1.00 1.00 H new ATOM 0 HD2 PRO A 45 -1.939 -4.360 -4.718 1.00 1.00 H new ATOM 0 HD3 PRO A 45 -1.244 -4.814 -3.174 1.00 1.00 H new ATOM 612 N ASP A 46 -4.073 -8.261 -4.872 1.00 1.00 N ATOM 613 CA ASP A 46 -4.334 -9.146 -5.892 1.00 1.00 C ATOM 614 C ASP A 46 -5.765 -9.687 -5.796 1.00 1.00 C ATOM 615 O ASP A 46 -6.271 -9.826 -4.699 1.00 1.00 O ATOM 616 CB ASP A 46 -3.298 -10.381 -5.836 1.00 1.00 C ATOM 617 CG ASP A 46 -3.729 -11.474 -6.783 1.00 1.00 C ATOM 618 OD1 ASP A 46 -4.759 -12.073 -6.533 1.00 1.00 O ATOM 619 OD2 ASP A 46 -3.022 -11.706 -7.751 1.00 1.00 O ATOM 0 H ASP A 46 -3.437 -8.632 -4.166 1.00 1.00 H new ATOM 0 HA ASP A 46 -4.220 -8.612 -6.835 1.00 1.00 H new ATOM 0 HB2 ASP A 46 -2.298 -10.037 -6.099 1.00 1.00 H new ATOM 0 HB3 ASP A 46 -3.243 -10.772 -4.820 1.00 1.00 H new ATOM 624 N PRO A 47 -6.432 -10.035 -6.931 1.00 1.00 N ATOM 625 CA PRO A 47 -7.824 -10.626 -6.881 1.00 1.00 C ATOM 626 C PRO A 47 -7.879 -11.945 -6.010 1.00 1.00 C ATOM 627 O PRO A 47 -8.341 -12.986 -6.469 1.00 1.00 O ATOM 628 CB PRO A 47 -8.149 -10.929 -8.369 1.00 1.00 C ATOM 629 CG PRO A 47 -7.247 -10.025 -9.164 1.00 1.00 C ATOM 630 CD PRO A 47 -5.961 -9.879 -8.347 1.00 1.00 C ATOM 0 HA PRO A 47 -8.540 -9.950 -6.414 1.00 1.00 H new ATOM 0 HB2 PRO A 47 -7.964 -11.977 -8.607 1.00 1.00 H new ATOM 0 HB3 PRO A 47 -9.198 -10.732 -8.591 1.00 1.00 H new ATOM 0 HG2 PRO A 47 -7.038 -10.449 -10.146 1.00 1.00 H new ATOM 0 HG3 PRO A 47 -7.716 -9.055 -9.329 1.00 1.00 H new ATOM 0 HD2 PRO A 47 -5.227 -10.640 -8.613 1.00 1.00 H new ATOM 0 HD3 PRO A 47 -5.489 -8.910 -8.509 1.00 1.00 H new ATOM 638 N GLY A 48 -7.424 -11.834 -4.755 1.00 1.00 N ATOM 639 CA GLY A 48 -7.427 -12.951 -3.796 1.00 1.00 C ATOM 640 C GLY A 48 -7.902 -12.392 -2.503 1.00 1.00 C ATOM 641 O GLY A 48 -9.081 -12.491 -2.177 1.00 1.00 O ATOM 0 H GLY A 48 -7.043 -10.968 -4.374 1.00 1.00 H new ATOM 0 HA2 GLY A 48 -8.082 -13.753 -4.136 1.00 1.00 H new ATOM 0 HA3 GLY A 48 -6.429 -13.376 -3.692 1.00 1.00 H new ATOM 645 N PRO A 49 -7.030 -11.687 -1.779 1.00 1.00 N ATOM 646 CA PRO A 49 -7.434 -11.008 -0.581 1.00 1.00 C ATOM 647 C PRO A 49 -8.648 -10.175 -0.900 1.00 1.00 C ATOM 648 O PRO A 49 -9.774 -10.591 -0.617 1.00 1.00 O ATOM 649 CB PRO A 49 -6.188 -10.113 -0.175 1.00 1.00 C ATOM 650 CG PRO A 49 -5.170 -10.288 -1.263 1.00 1.00 C ATOM 651 CD PRO A 49 -5.603 -11.509 -2.075 1.00 1.00 C ATOM 0 HA PRO A 49 -7.704 -11.675 0.238 1.00 1.00 H new ATOM 0 HB2 PRO A 49 -6.477 -9.066 -0.078 1.00 1.00 H new ATOM 0 HB3 PRO A 49 -5.784 -10.423 0.789 1.00 1.00 H new ATOM 0 HG2 PRO A 49 -5.121 -9.401 -1.894 1.00 1.00 H new ATOM 0 HG3 PRO A 49 -4.175 -10.435 -0.843 1.00 1.00 H new ATOM 0 HD2 PRO A 49 -5.440 -11.350 -3.141 1.00 1.00 H new ATOM 0 HD3 PRO A 49 -5.030 -12.392 -1.793 1.00 1.00 H new ATOM 659 N LYS A 50 -8.414 -8.992 -1.496 1.00 1.00 N ATOM 660 CA LYS A 50 -9.481 -8.028 -1.882 1.00 1.00 C ATOM 661 C LYS A 50 -10.088 -7.353 -0.663 1.00 1.00 C ATOM 662 O LYS A 50 -11.296 -7.204 -0.592 1.00 1.00 O ATOM 663 CB LYS A 50 -10.653 -8.852 -2.697 1.00 1.00 C ATOM 664 CG LYS A 50 -10.634 -8.456 -4.302 1.00 1.00 C ATOM 665 CD LYS A 50 -11.456 -7.088 -4.576 1.00 1.00 C ATOM 666 CE LYS A 50 -10.778 -5.863 -3.846 1.00 1.00 C ATOM 667 NZ LYS A 50 -9.343 -5.779 -4.252 1.00 1.00 N ATOM 0 H LYS A 50 -7.475 -8.668 -1.728 1.00 1.00 H new ATOM 0 HA LYS A 50 -9.045 -7.250 -2.509 1.00 1.00 H new ATOM 0 HB2 LYS A 50 -10.499 -9.925 -2.580 1.00 1.00 H new ATOM 0 HB3 LYS A 50 -11.630 -8.622 -2.272 1.00 1.00 H new ATOM 0 HG2 LYS A 50 -9.604 -8.338 -4.638 1.00 1.00 H new ATOM 0 HG3 LYS A 50 -11.069 -9.268 -4.885 1.00 1.00 H new ATOM 0 HD2 LYS A 50 -11.503 -6.896 -5.648 1.00 1.00 H new ATOM 0 HD3 LYS A 50 -12.483 -7.201 -4.227 1.00 1.00 H new ATOM 0 HE2 LYS A 50 -11.296 -4.939 -4.104 1.00 1.00 H new ATOM 0 HE3 LYS A 50 -10.856 -5.981 -2.765 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 -8.885 -4.994 -3.747 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 -8.862 -6.670 -4.015 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 -9.281 -5.614 -5.277 1.00 1.00 H new ATOM 681 N GLY A 51 -9.276 -7.009 0.375 1.00 1.00 N ATOM 682 CA GLY A 51 -9.771 -6.505 1.482 1.00 1.00 C ATOM 683 C GLY A 51 -8.904 -6.981 2.499 1.00 1.00 C ATOM 684 O GLY A 51 -8.221 -6.274 3.002 1.00 1.00 O ATOM 0 H GLY A 51 -8.261 -7.113 0.370 1.00 1.00 H new ATOM 0 HA2 GLY A 51 -9.788 -5.416 1.451 1.00 1.00 H new ATOM 0 HA3 GLY A 51 -10.797 -6.835 1.646 1.00 1.00 H new ATOM 688 N PRO A 52 -8.911 -8.291 2.768 1.00 1.00 N ATOM 689 CA PRO A 52 -7.988 -8.959 3.776 1.00 1.00 C ATOM 690 C PRO A 52 -6.538 -8.364 3.796 1.00 1.00 C ATOM 691 O PRO A 52 -5.629 -9.005 4.165 1.00 1.00 O ATOM 692 CB PRO A 52 -7.950 -10.389 3.292 1.00 1.00 C ATOM 693 CG PRO A 52 -9.313 -10.633 2.699 1.00 1.00 C ATOM 694 CD PRO A 52 -9.812 -9.260 2.165 1.00 1.00 C ATOM 0 HA PRO A 52 -8.349 -8.824 4.796 1.00 1.00 H new ATOM 0 HB2 PRO A 52 -7.165 -10.534 2.550 1.00 1.00 H new ATOM 0 HB3 PRO A 52 -7.746 -11.078 4.111 1.00 1.00 H new ATOM 0 HG2 PRO A 52 -9.261 -11.367 1.895 1.00 1.00 H new ATOM 0 HG3 PRO A 52 -9.997 -11.030 3.449 1.00 1.00 H new ATOM 0 HD2 PRO A 52 -9.771 -9.218 1.077 1.00 1.00 H new ATOM 0 HD3 PRO A 52 -10.847 -9.074 2.452 1.00 1.00 H new ATOM 702 N THR A 53 -6.427 -7.157 3.440 1.00 1.00 N ATOM 703 CA THR A 53 -5.187 -6.422 3.455 1.00 1.00 C ATOM 704 C THR A 53 -5.623 -5.029 3.664 1.00 1.00 C ATOM 705 O THR A 53 -6.775 -4.759 3.472 1.00 1.00 O ATOM 706 CB THR A 53 -4.372 -6.557 2.212 1.00 1.00 C ATOM 707 OG1 THR A 53 -4.106 -5.348 1.746 1.00 1.00 O ATOM 708 CG2 THR A 53 -5.103 -7.400 1.185 1.00 1.00 C ATOM 0 H THR A 53 -7.219 -6.605 3.111 1.00 1.00 H new ATOM 0 HA THR A 53 -4.516 -6.801 4.226 1.00 1.00 H new ATOM 0 HB THR A 53 -3.434 -7.066 2.435 1.00 1.00 H new ATOM 0 HG1 THR A 53 -4.145 -5.359 0.767 1.00 1.00 H new ATOM 0 HG21 THR A 53 -4.493 -7.487 0.286 1.00 1.00 H new ATOM 0 HG22 THR A 53 -5.289 -8.393 1.595 1.00 1.00 H new ATOM 0 HG23 THR A 53 -6.053 -6.927 0.935 1.00 1.00 H new ATOM 716 N TYR A 54 -4.826 -4.172 4.023 1.00 1.00 N ATOM 717 CA TYR A 54 -5.340 -2.770 4.293 1.00 1.00 C ATOM 718 C TYR A 54 -4.376 -1.927 5.120 1.00 1.00 C ATOM 719 O TYR A 54 -3.873 -2.388 6.139 1.00 1.00 O ATOM 720 CB TYR A 54 -6.700 -2.905 5.136 1.00 1.00 C ATOM 721 CG TYR A 54 -6.799 -1.874 6.313 1.00 1.00 C ATOM 722 CD1 TYR A 54 -6.123 -2.124 7.526 1.00 1.00 C ATOM 723 CD2 TYR A 54 -7.565 -0.710 6.171 1.00 1.00 C ATOM 724 CE1 TYR A 54 -6.217 -1.212 8.582 1.00 1.00 C ATOM 725 CE2 TYR A 54 -7.656 0.203 7.232 1.00 1.00 C ATOM 726 CZ TYR A 54 -6.982 -0.049 8.437 1.00 1.00 C ATOM 727 OH TYR A 54 -7.077 0.851 9.482 1.00 1.00 O ATOM 0 H TYR A 54 -3.825 -4.314 4.161 1.00 1.00 H new ATOM 0 HA TYR A 54 -5.474 -2.277 3.330 1.00 1.00 H new ATOM 0 HB2 TYR A 54 -7.550 -2.767 4.468 1.00 1.00 H new ATOM 0 HB3 TYR A 54 -6.772 -3.915 5.539 1.00 1.00 H new ATOM 0 HD1 TYR A 54 -5.532 -3.021 7.639 1.00 1.00 H new ATOM 0 HD2 TYR A 54 -8.085 -0.515 5.245 1.00 1.00 H new ATOM 0 HE1 TYR A 54 -5.699 -1.405 9.510 1.00 1.00 H new ATOM 0 HE2 TYR A 54 -8.246 1.101 7.121 1.00 1.00 H new ATOM 0 HH TYR A 54 -7.645 1.604 9.215 1.00 1.00 H new ATOM 737 N CYS A 55 -4.126 -0.553 4.671 1.00 1.00 N ATOM 738 CA CYS A 55 -3.196 0.352 5.526 1.00 1.00 C ATOM 739 C CYS A 55 -3.666 1.833 5.847 1.00 1.00 C ATOM 740 O CYS A 55 -3.371 2.400 6.902 1.00 1.00 O ATOM 741 CB CYS A 55 -1.852 0.428 4.876 1.00 1.00 C ATOM 742 SG CYS A 55 -0.592 0.537 6.218 1.00 1.00 S ATOM 0 H CYS A 55 -4.514 -0.124 3.831 1.00 1.00 H new ATOM 0 HA CYS A 55 -3.201 -0.146 6.496 1.00 1.00 H new ATOM 0 HB2 CYS A 55 -1.676 -0.451 4.256 1.00 1.00 H new ATOM 0 HB3 CYS A 55 -1.791 1.298 4.222 1.00 1.00 H new ATOM 747 N TRP A 56 -4.352 2.380 4.880 1.00 1.00 N ATOM 748 CA TRP A 56 -4.854 3.653 4.862 1.00 1.00 C ATOM 749 C TRP A 56 -6.410 3.642 4.952 1.00 1.00 C ATOM 750 O TRP A 56 -6.962 3.024 5.862 1.00 1.00 O ATOM 751 CB TRP A 56 -4.418 4.234 3.484 1.00 1.00 C ATOM 752 CG TRP A 56 -4.627 5.712 3.456 1.00 1.00 C ATOM 753 CD1 TRP A 56 -5.172 6.326 2.462 1.00 1.00 C ATOM 754 CD2 TRP A 56 -4.292 6.763 4.470 1.00 1.00 C ATOM 755 NE1 TRP A 56 -5.211 7.635 2.711 1.00 1.00 N ATOM 756 CE2 TRP A 56 -4.697 7.959 3.959 1.00 1.00 C ATOM 757 CE3 TRP A 56 -3.679 6.771 5.775 1.00 1.00 C ATOM 758 CZ2 TRP A 56 -4.542 9.168 4.654 1.00 1.00 C ATOM 759 CZ3 TRP A 56 -3.523 7.983 6.470 1.00 1.00 C ATOM 760 CH2 TRP A 56 -3.961 9.175 5.906 1.00 1.00 C ATOM 0 H TRP A 56 -4.572 1.867 4.026 1.00 1.00 H new ATOM 0 HA TRP A 56 -4.489 4.238 5.706 1.00 1.00 H new ATOM 0 HB2 TRP A 56 -3.368 4.005 3.301 1.00 1.00 H new ATOM 0 HB3 TRP A 56 -4.991 3.763 2.685 1.00 1.00 H new ATOM 0 HD1 TRP A 56 -5.541 5.852 1.564 1.00 1.00 H new ATOM 0 HE1 TRP A 56 -5.579 8.324 2.055 1.00 1.00 H new ATOM 0 HE3 TRP A 56 -3.340 5.846 6.218 1.00 1.00 H new ATOM 0 HZ2 TRP A 56 -4.877 10.093 4.209 1.00 1.00 H new ATOM 0 HZ3 TRP A 56 -3.061 7.988 7.446 1.00 1.00 H new ATOM 0 HH2 TRP A 56 -3.847 10.104 6.445 1.00 1.00 H new ATOM 771 N ASP A 57 -7.150 4.276 3.864 1.00 1.00 N ATOM 772 CA ASP A 57 -8.565 4.246 3.759 1.00 1.00 C ATOM 773 C ASP A 57 -9.109 5.507 2.986 1.00 1.00 C ATOM 774 O ASP A 57 -10.290 5.815 3.099 1.00 1.00 O ATOM 775 CB ASP A 57 -9.193 4.204 5.134 1.00 1.00 C ATOM 776 CG ASP A 57 -9.550 2.763 5.545 1.00 1.00 C ATOM 777 OD1 ASP A 57 -8.971 1.845 4.984 1.00 1.00 O ATOM 778 OD2 ASP A 57 -10.398 2.606 6.412 1.00 1.00 O ATOM 0 H ASP A 57 -6.696 4.784 3.105 1.00 1.00 H new ATOM 0 HA ASP A 57 -8.833 3.348 3.202 1.00 1.00 H new ATOM 0 HB2 ASP A 57 -8.505 4.632 5.863 1.00 1.00 H new ATOM 0 HB3 ASP A 57 -10.092 4.820 5.144 1.00 1.00 H new ATOM 783 N GLU A 58 -8.228 6.268 2.283 1.00 1.00 N ATOM 784 CA GLU A 58 -8.657 7.445 1.695 1.00 1.00 C ATOM 785 C GLU A 58 -7.575 8.087 1.057 1.00 1.00 C ATOM 786 O GLU A 58 -6.932 8.845 1.691 1.00 1.00 O ATOM 787 CB GLU A 58 -9.149 8.355 2.899 1.00 1.00 C ATOM 788 CG GLU A 58 -8.084 8.277 4.077 1.00 1.00 C ATOM 789 CD GLU A 58 -8.638 8.962 5.326 1.00 1.00 C ATOM 790 OE1 GLU A 58 -8.532 10.177 5.408 1.00 1.00 O ATOM 791 OE2 GLU A 58 -9.164 8.264 6.176 1.00 1.00 O ATOM 0 H GLU A 58 -7.243 6.044 2.143 1.00 1.00 H new ATOM 0 HA GLU A 58 -9.435 7.265 0.953 1.00 1.00 H new ATOM 0 HB2 GLU A 58 -9.268 9.386 2.567 1.00 1.00 H new ATOM 0 HB3 GLU A 58 -10.124 8.019 3.251 1.00 1.00 H new ATOM 0 HG2 GLU A 58 -7.848 7.236 4.297 1.00 1.00 H new ATOM 0 HG3 GLU A 58 -7.154 8.757 3.771 1.00 1.00 H new ATOM 798 N ALA A 59 -7.272 7.891 -0.261 1.00 1.00 N ATOM 799 CA ALA A 59 -6.149 8.685 -0.826 1.00 1.00 C ATOM 800 C ALA A 59 -6.323 9.025 -2.395 1.00 1.00 C ATOM 801 O ALA A 59 -5.437 9.523 -2.954 1.00 1.00 O ATOM 802 CB ALA A 59 -4.983 7.922 -0.719 1.00 1.00 C ATOM 0 H ALA A 59 -7.743 7.250 -0.899 1.00 1.00 H new ATOM 0 HA ALA A 59 -6.118 9.622 -0.271 1.00 1.00 H new ATOM 0 HB1 ALA A 59 -4.142 8.483 -1.127 1.00 1.00 H new ATOM 0 HB2 ALA A 59 -4.792 7.694 0.330 1.00 1.00 H new ATOM 0 HB3 ALA A 59 -5.104 6.993 -1.276 1.00 1.00 H new ATOM 808 N LYS A 60 -7.548 8.677 -3.116 1.00 1.00 N ATOM 809 CA LYS A 60 -7.639 8.965 -4.556 1.00 1.00 C ATOM 810 C LYS A 60 -8.504 9.978 -4.804 1.00 1.00 C ATOM 811 O LYS A 60 -9.001 10.118 -5.929 1.00 1.00 O ATOM 812 CB LYS A 60 -7.970 7.767 -5.400 1.00 1.00 C ATOM 813 CG LYS A 60 -9.199 7.146 -4.848 1.00 1.00 C ATOM 814 CD LYS A 60 -9.668 5.887 -5.732 1.00 1.00 C ATOM 815 CE LYS A 60 -10.969 6.262 -6.577 1.00 1.00 C ATOM 816 NZ LYS A 60 -12.004 6.852 -5.677 1.00 1.00 N ATOM 0 H LYS A 60 -8.371 8.240 -2.701 1.00 1.00 H new ATOM 0 HA LYS A 60 -6.636 9.274 -4.850 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -8.125 8.062 -6.438 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -7.145 7.054 -5.391 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -9.017 6.825 -3.822 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -9.998 7.886 -4.813 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -8.864 5.585 -6.403 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -9.879 5.036 -5.084 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -10.711 6.971 -7.364 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -11.364 5.372 -7.067 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -12.950 6.576 -6.009 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -11.861 6.503 -4.708 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -11.922 7.889 -5.687 1.00 1.00 H new ATOM 872 N PRO A 65 -7.668 13.742 0.706 1.00 1.00 N ATOM 873 CA PRO A 65 -7.115 12.616 1.426 1.00 1.00 C ATOM 874 C PRO A 65 -5.660 12.518 1.219 1.00 1.00 C ATOM 875 O PRO A 65 -5.105 13.334 0.571 1.00 1.00 O ATOM 876 CB PRO A 65 -7.887 11.405 0.835 1.00 1.00 C ATOM 877 CG PRO A 65 -9.113 12.010 0.468 1.00 1.00 C ATOM 878 CD PRO A 65 -8.652 13.290 -0.203 1.00 1.00 C ATOM 0 HA PRO A 65 -7.230 12.688 2.508 1.00 1.00 H new ATOM 0 HB2 PRO A 65 -7.372 10.967 -0.020 1.00 1.00 H new ATOM 0 HB3 PRO A 65 -8.024 10.608 1.566 1.00 1.00 H new ATOM 0 HG2 PRO A 65 -9.691 11.381 -0.209 1.00 1.00 H new ATOM 0 HG3 PRO A 65 -9.744 12.209 1.334 1.00 1.00 H new ATOM 0 HD2 PRO A 65 -8.241 13.108 -1.196 1.00 1.00 H new ATOM 0 HD3 PRO A 65 -9.464 14.008 -0.320 1.00 1.00 H new ATOM 886 N ASN A 66 -5.022 11.570 1.855 1.00 1.00 N ATOM 887 CA ASN A 66 -3.514 11.453 1.746 1.00 1.00 C ATOM 888 C ASN A 66 -3.057 11.793 0.328 1.00 1.00 C ATOM 889 O ASN A 66 -1.907 12.140 0.082 1.00 1.00 O ATOM 890 CB ASN A 66 -3.032 9.979 2.055 1.00 1.00 C ATOM 891 CG ASN A 66 -2.121 9.916 3.321 1.00 1.00 C ATOM 892 OD1 ASN A 66 -2.055 8.885 3.989 1.00 1.00 O ATOM 893 ND2 ASN A 66 -1.401 10.952 3.653 1.00 1.00 N ATOM 0 H ASN A 66 -5.467 10.868 2.446 1.00 1.00 H new ATOM 0 HA ASN A 66 -3.086 12.146 2.470 1.00 1.00 H new ATOM 0 HB2 ASN A 66 -3.900 9.336 2.201 1.00 1.00 H new ATOM 0 HB3 ASN A 66 -2.487 9.588 1.196 1.00 1.00 H new ATOM 0 HD21 ASN A 66 -0.785 10.906 4.465 1.00 1.00 H new ATOM 0 HD22 ASN A 66 -1.454 11.808 3.101 1.00 1.00 H new ATOM 900 N ARG A 67 -4.007 11.608 -0.567 1.00 1.00 N ATOM 901 CA ARG A 67 -3.845 11.799 -1.974 1.00 1.00 C ATOM 902 C ARG A 67 -2.954 10.708 -2.541 1.00 1.00 C ATOM 903 O ARG A 67 -1.865 10.441 -2.054 1.00 1.00 O ATOM 904 CB ARG A 67 -3.271 13.187 -2.321 1.00 1.00 C ATOM 905 CG ARG A 67 -4.354 14.246 -2.221 1.00 1.00 C ATOM 906 CD ARG A 67 -5.066 14.356 -3.542 1.00 1.00 C ATOM 907 NE ARG A 67 -4.199 14.987 -4.611 1.00 1.00 N ATOM 908 CZ ARG A 67 -3.616 16.231 -4.492 1.00 1.00 C ATOM 909 NH1 ARG A 67 -3.807 16.976 -3.444 1.00 1.00 N ATOM 910 NH2 ARG A 67 -2.867 16.682 -5.464 1.00 1.00 N ATOM 0 H ARG A 67 -4.948 11.308 -0.311 1.00 1.00 H new ATOM 0 HA ARG A 67 -4.835 11.743 -2.426 1.00 1.00 H new ATOM 0 HB2 ARG A 67 -2.453 13.429 -1.643 1.00 1.00 H new ATOM 0 HB3 ARG A 67 -2.857 13.175 -3.329 1.00 1.00 H new ATOM 0 HG2 ARG A 67 -5.062 13.985 -1.434 1.00 1.00 H new ATOM 0 HG3 ARG A 67 -3.916 15.206 -1.950 1.00 1.00 H new ATOM 0 HD2 ARG A 67 -5.377 13.364 -3.868 1.00 1.00 H new ATOM 0 HD3 ARG A 67 -5.972 14.948 -3.416 1.00 1.00 H new ATOM 0 HE ARG A 67 -4.037 14.461 -5.470 1.00 1.00 H new ATOM 0 HH11 ARG A 67 -4.400 16.644 -2.684 1.00 1.00 H new ATOM 0 HH12 ARG A 67 -3.363 17.892 -3.382 1.00 1.00 H new ATOM 0 HH21 ARG A 67 -2.719 16.115 -6.299 1.00 1.00 H new ATOM 0 HH22 ARG A 67 -2.431 17.601 -5.387 1.00 1.00 H new ATOM 924 N CYS A 68 -3.415 10.178 -3.594 1.00 1.00 N ATOM 925 CA CYS A 68 -2.763 9.208 -4.352 1.00 1.00 C ATOM 926 C CYS A 68 -3.328 9.317 -5.600 1.00 1.00 C ATOM 927 O CYS A 68 -2.770 10.002 -6.462 1.00 1.00 O ATOM 928 CB CYS A 68 -2.767 7.709 -3.694 1.00 1.00 C ATOM 929 SG CYS A 68 -4.253 6.753 -3.729 1.00 1.00 S ATOM 0 H CYS A 68 -4.326 10.431 -3.976 1.00 1.00 H new ATOM 0 HA CYS A 68 -1.687 9.379 -4.398 1.00 1.00 H new ATOM 0 HB2 CYS A 68 -1.992 7.129 -4.196 1.00 1.00 H new ATOM 0 HB3 CYS A 68 -2.466 7.808 -2.651 1.00 1.00 H new ATOM 934 N SER A 69 -4.370 8.713 -5.798 1.00 1.00 N ATOM 935 CA SER A 69 -5.029 8.771 -7.039 1.00 1.00 C ATOM 936 C SER A 69 -4.500 7.761 -8.019 1.00 1.00 C ATOM 937 O SER A 69 -5.238 7.284 -8.879 1.00 1.00 O ATOM 938 CB SER A 69 -4.934 10.209 -7.697 1.00 1.00 C ATOM 939 OG SER A 69 -3.787 10.270 -8.550 1.00 1.00 O ATOM 0 H SER A 69 -4.835 8.133 -5.099 1.00 1.00 H new ATOM 0 HA SER A 69 -6.072 8.540 -6.820 1.00 1.00 H new ATOM 0 HB2 SER A 69 -5.837 10.419 -8.270 1.00 1.00 H new ATOM 0 HB3 SER A 69 -4.864 10.971 -6.921 1.00 1.00 H new ATOM 0 HG SER A 69 -2.978 10.105 -8.022 1.00 1.00 H new ATOM 945 N ASN A 70 -3.147 7.553 -8.014 1.00 1.00 N ATOM 946 CA ASN A 70 -2.508 6.717 -9.085 1.00 1.00 C ATOM 947 C ASN A 70 -1.813 5.558 -8.613 1.00 1.00 C ATOM 948 O ASN A 70 -1.767 4.554 -9.287 1.00 1.00 O ATOM 949 CB ASN A 70 -1.477 7.610 -9.801 1.00 1.00 C ATOM 950 CG ASN A 70 -2.127 8.930 -10.207 1.00 1.00 C ATOM 951 OD1 ASN A 70 -1.726 9.994 -9.732 1.00 1.00 O ATOM 952 ND2 ASN A 70 -3.111 8.925 -11.060 1.00 1.00 N ATOM 0 H ASN A 70 -2.504 7.931 -7.318 1.00 1.00 H new ATOM 0 HA ASN A 70 -3.314 6.356 -9.724 1.00 1.00 H new ATOM 0 HB2 ASN A 70 -0.628 7.799 -9.144 1.00 1.00 H new ATOM 0 HB3 ASN A 70 -1.090 7.099 -10.682 1.00 1.00 H new ATOM 0 HD21 ASN A 70 -3.551 9.803 -11.336 1.00 1.00 H new ATOM 0 HD22 ASN A 70 -3.442 8.043 -11.452 1.00 1.00 H new ATOM 959 N SER A 71 -1.204 5.706 -7.487 1.00 1.00 N ATOM 960 CA SER A 71 -0.400 4.678 -6.880 1.00 1.00 C ATOM 961 C SER A 71 0.662 5.393 -6.055 1.00 1.00 C ATOM 962 O SER A 71 1.600 5.885 -6.619 1.00 1.00 O ATOM 963 CB SER A 71 0.271 3.819 -7.917 1.00 1.00 C ATOM 964 OG SER A 71 1.456 3.254 -7.371 1.00 1.00 O ATOM 0 H SER A 71 -1.247 6.566 -6.940 1.00 1.00 H new ATOM 0 HA SER A 71 -1.025 4.024 -6.272 1.00 1.00 H new ATOM 0 HB2 SER A 71 -0.405 3.028 -8.242 1.00 1.00 H new ATOM 0 HB3 SER A 71 0.512 4.415 -8.797 1.00 1.00 H new ATOM 0 HG SER A 71 1.892 2.693 -8.046 1.00 1.00 H new ATOM 970 N LYS A 72 0.489 5.401 -4.657 1.00 1.00 N ATOM 971 CA LYS A 72 1.520 6.079 -3.723 1.00 1.00 C ATOM 972 C LYS A 72 1.079 6.590 -2.384 1.00 1.00 C ATOM 973 O LYS A 72 1.676 7.497 -1.874 1.00 1.00 O ATOM 974 CB LYS A 72 2.012 7.387 -4.491 1.00 1.00 C ATOM 975 CG LYS A 72 0.795 8.274 -4.879 1.00 1.00 C ATOM 976 CD LYS A 72 1.225 9.824 -4.919 1.00 1.00 C ATOM 977 CE LYS A 72 0.584 10.543 -6.150 1.00 1.00 C ATOM 978 NZ LYS A 72 0.812 12.020 -6.041 1.00 1.00 N ATOM 0 H LYS A 72 -0.303 4.974 -4.176 1.00 1.00 H new ATOM 0 HA LYS A 72 2.236 5.285 -3.512 1.00 1.00 H new ATOM 0 HB2 LYS A 72 2.696 7.953 -3.859 1.00 1.00 H new ATOM 0 HB3 LYS A 72 2.565 7.105 -5.387 1.00 1.00 H new ATOM 0 HG2 LYS A 72 0.411 7.971 -5.853 1.00 1.00 H new ATOM 0 HG3 LYS A 72 -0.012 8.132 -4.160 1.00 1.00 H new ATOM 0 HD2 LYS A 72 0.911 10.318 -3.999 1.00 1.00 H new ATOM 0 HD3 LYS A 72 2.311 9.904 -4.969 1.00 1.00 H new ATOM 0 HE2 LYS A 72 1.021 10.164 -7.074 1.00 1.00 H new ATOM 0 HE3 LYS A 72 -0.484 10.331 -6.192 1.00 1.00 H new ATOM 0 HZ1 LYS A 72 0.386 12.498 -6.860 1.00 1.00 H new ATOM 0 HZ2 LYS A 72 0.375 12.375 -5.166 1.00 1.00 H new ATOM 0 HZ3 LYS A 72 1.834 12.213 -6.021 1.00 1.00 H new ATOM 992 N GLN A 73 0.114 6.147 -1.937 1.00 1.00 N ATOM 993 CA GLN A 73 -0.457 6.646 -0.733 1.00 1.00 C ATOM 994 C GLN A 73 -1.863 6.124 -0.658 1.00 1.00 C ATOM 995 O GLN A 73 -2.724 6.847 -0.345 1.00 1.00 O ATOM 996 CB GLN A 73 -0.563 8.343 -0.835 1.00 1.00 C ATOM 997 CG GLN A 73 0.400 9.081 0.134 1.00 1.00 C ATOM 998 CD GLN A 73 -0.008 8.859 1.585 1.00 1.00 C ATOM 999 OE1 GLN A 73 -0.856 8.017 1.875 1.00 1.00 O ATOM 1000 NE2 GLN A 73 0.557 9.572 2.518 1.00 1.00 N ATOM 0 H GLN A 73 -0.403 5.375 -2.357 1.00 1.00 H new ATOM 0 HA GLN A 73 0.143 6.347 0.127 1.00 1.00 H new ATOM 0 HB2 GLN A 73 -0.345 8.652 -1.857 1.00 1.00 H new ATOM 0 HB3 GLN A 73 -1.587 8.649 -0.621 1.00 1.00 H new ATOM 0 HG2 GLN A 73 1.419 8.725 -0.019 1.00 1.00 H new ATOM 0 HG3 GLN A 73 0.398 10.148 -0.089 1.00 1.00 H new ATOM 0 HE21 GLN A 73 1.260 10.269 2.272 1.00 1.00 H new ATOM 0 HE22 GLN A 73 0.296 9.433 3.494 1.00 1.00 H new ATOM 1009 N CYS A 74 -2.097 4.840 -0.887 1.00 1.00 N ATOM 1010 CA CYS A 74 -3.614 4.307 -0.744 1.00 1.00 C ATOM 1011 C CYS A 74 -3.650 3.317 0.375 1.00 1.00 C ATOM 1012 O CYS A 74 -2.861 3.501 1.265 1.00 1.00 O ATOM 1013 CB CYS A 74 -4.081 3.810 -2.131 1.00 1.00 C ATOM 1014 SG CYS A 74 -3.335 4.883 -3.505 1.00 1.00 S ATOM 0 H CYS A 74 -1.399 4.144 -1.149 1.00 1.00 H new ATOM 0 HA CYS A 74 -4.335 5.075 -0.465 1.00 1.00 H new ATOM 0 HB2 CYS A 74 -3.784 2.771 -2.271 1.00 1.00 H new ATOM 0 HB3 CYS A 74 -5.169 3.840 -2.188 1.00 1.00 H new ATOM 1019 N ASP A 75 -4.624 2.219 0.454 1.00 1.00 N ATOM 1020 CA ASP A 75 -4.587 1.326 1.793 1.00 1.00 C ATOM 1021 C ASP A 75 -3.931 -0.046 1.630 1.00 1.00 C ATOM 1022 O ASP A 75 -2.714 -0.156 1.780 1.00 1.00 O ATOM 1023 CB ASP A 75 -6.073 1.377 2.406 1.00 1.00 C ATOM 1024 CG ASP A 75 -6.227 0.580 3.603 1.00 1.00 C ATOM 1025 OD1 ASP A 75 -6.230 -0.486 3.486 1.00 1.00 O ATOM 1026 OD2 ASP A 75 -6.362 1.125 4.645 1.00 1.00 O ATOM 0 H ASP A 75 -5.317 1.967 -0.251 1.00 1.00 H new ATOM 0 HA ASP A 75 -3.900 1.738 2.532 1.00 1.00 H new ATOM 0 HB2 ASP A 75 -6.330 2.412 2.632 1.00 1.00 H new ATOM 0 HB3 ASP A 75 -6.781 1.030 1.653 1.00 1.00 H new ATOM 1031 N GLY A 76 -4.675 -1.059 1.378 1.00 1.00 N ATOM 1032 CA GLY A 76 -4.041 -2.428 1.260 1.00 1.00 C ATOM 1033 C GLY A 76 -4.762 -3.444 0.363 1.00 1.00 C ATOM 1034 O GLY A 76 -4.146 -4.382 -0.063 1.00 1.00 O ATOM 0 H GLY A 76 -5.686 -1.028 1.245 1.00 1.00 H new ATOM 0 HA2 GLY A 76 -3.026 -2.302 0.884 1.00 1.00 H new ATOM 0 HA3 GLY A 76 -3.960 -2.854 2.260 1.00 1.00 H new ATOM 1038 N ALA A 77 -5.985 -3.257 0.052 1.00 1.00 N ATOM 1039 CA ALA A 77 -6.691 -4.207 -0.822 1.00 1.00 C ATOM 1040 C ALA A 77 -7.246 -3.488 -1.991 1.00 1.00 C ATOM 1041 O ALA A 77 -8.356 -3.790 -2.444 1.00 1.00 O ATOM 1042 CB ALA A 77 -7.843 -4.791 -0.083 1.00 1.00 C ATOM 0 H ALA A 77 -6.547 -2.468 0.371 1.00 1.00 H new ATOM 0 HA ALA A 77 -5.991 -4.980 -1.137 1.00 1.00 H new ATOM 0 HB1 ALA A 77 -8.369 -5.496 -0.727 1.00 1.00 H new ATOM 0 HB2 ALA A 77 -7.481 -5.311 0.804 1.00 1.00 H new ATOM 0 HB3 ALA A 77 -8.525 -3.995 0.216 1.00 1.00 H new ATOM 1048 N ARG A 78 -6.548 -2.449 -2.430 1.00 1.00 N ATOM 1049 CA ARG A 78 -7.016 -1.608 -3.440 1.00 1.00 C ATOM 1050 C ARG A 78 -6.157 -1.678 -4.584 1.00 1.00 C ATOM 1051 O ARG A 78 -5.104 -2.261 -4.507 1.00 1.00 O ATOM 1052 CB ARG A 78 -7.043 -0.260 -2.875 1.00 1.00 C ATOM 1053 CG ARG A 78 -8.036 -0.260 -1.663 1.00 1.00 C ATOM 1054 CD ARG A 78 -8.354 1.120 -1.325 1.00 1.00 C ATOM 1055 NE ARG A 78 -9.135 1.750 -2.417 1.00 1.00 N ATOM 1056 CZ ARG A 78 -10.459 2.019 -2.297 1.00 1.00 C ATOM 1057 NH1 ARG A 78 -11.110 1.720 -1.194 1.00 1.00 N ATOM 1058 NH2 ARG A 78 -11.095 2.578 -3.290 1.00 1.00 N ATOM 0 H ARG A 78 -5.630 -2.192 -2.067 1.00 1.00 H new ATOM 0 HA ARG A 78 -8.010 -1.901 -3.778 1.00 1.00 H new ATOM 0 HB2 ARG A 78 -6.046 0.036 -2.550 1.00 1.00 H new ATOM 0 HB3 ARG A 78 -7.361 0.462 -3.627 1.00 1.00 H new ATOM 0 HG2 ARG A 78 -8.944 -0.806 -1.918 1.00 1.00 H new ATOM 0 HG3 ARG A 78 -7.589 -0.766 -0.807 1.00 1.00 H new ATOM 0 HD2 ARG A 78 -8.923 1.152 -0.396 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -7.435 1.681 -1.155 1.00 1.00 H new ATOM 0 HE ARG A 78 -8.660 1.989 -3.288 1.00 1.00 H new ATOM 0 HH11 ARG A 78 -10.619 1.280 -0.415 1.00 1.00 H new ATOM 0 HH12 ARG A 78 -12.106 1.928 -1.117 1.00 1.00 H new ATOM 0 HH21 ARG A 78 -10.596 2.810 -4.149 1.00 1.00 H new ATOM 0 HH22 ARG A 78 -12.091 2.783 -3.207 1.00 1.00 H new ATOM 1072 N THR A 79 -6.567 -1.081 -5.721 1.00 1.00 N ATOM 1073 CA THR A 79 -5.758 -1.140 -6.840 1.00 1.00 C ATOM 1074 C THR A 79 -5.853 0.009 -7.619 1.00 1.00 C ATOM 1075 O THR A 79 -6.379 -0.027 -8.690 1.00 1.00 O ATOM 1076 CB THR A 79 -5.994 -2.391 -7.621 1.00 1.00 C ATOM 1077 OG1 THR A 79 -6.257 -3.467 -6.723 1.00 1.00 O ATOM 1078 CG2 THR A 79 -4.710 -2.682 -8.414 1.00 1.00 C ATOM 0 H THR A 79 -7.445 -0.574 -5.837 1.00 1.00 H new ATOM 0 HA THR A 79 -4.726 -1.179 -6.493 1.00 1.00 H new ATOM 0 HB THR A 79 -6.846 -2.279 -8.292 1.00 1.00 H new ATOM 0 HG1 THR A 79 -6.414 -4.289 -7.234 1.00 1.00 H new ATOM 0 HG21 THR A 79 -4.842 -3.592 -9.000 1.00 1.00 H new ATOM 0 HG22 THR A 79 -4.498 -1.848 -9.083 1.00 1.00 H new ATOM 0 HG23 THR A 79 -3.877 -2.814 -7.723 1.00 1.00 H new ATOM 1086 N CYS A 80 -5.157 1.101 -7.075 1.00 1.00 N ATOM 1087 CA CYS A 80 -4.978 2.340 -7.717 1.00 1.00 C ATOM 1088 C CYS A 80 -5.400 2.438 -9.054 1.00 1.00 C ATOM 1089 O CYS A 80 -4.702 2.979 -9.921 1.00 1.00 O ATOM 1090 CB CYS A 80 -3.513 2.788 -7.572 1.00 1.00 C ATOM 1091 SG CYS A 80 -3.497 4.517 -6.502 1.00 1.00 S ATOM 0 H CYS A 80 -4.723 1.066 -6.152 1.00 1.00 H new ATOM 0 HA CYS A 80 -5.658 3.014 -7.197 1.00 1.00 H new ATOM 0 HB2 CYS A 80 -2.927 2.020 -7.067 1.00 1.00 H new ATOM 0 HB3 CYS A 80 -3.061 2.941 -8.552 1.00 1.00 H new ATOM 1136 N PHE A 85 -3.055 0.389 -5.295 1.00 1.00 N ATOM 1137 CA PHE A 85 -3.068 1.302 -4.373 1.00 1.00 C ATOM 1138 C PHE A 85 -4.524 1.801 -4.346 1.00 1.00 C ATOM 1139 O PHE A 85 -5.192 1.424 -3.524 1.00 1.00 O ATOM 1140 CB PHE A 85 -1.931 2.330 -4.635 1.00 1.00 C ATOM 1141 CG PHE A 85 -0.758 2.278 -3.569 1.00 1.00 C ATOM 1142 CD1 PHE A 85 -0.934 1.820 -2.211 1.00 1.00 C ATOM 1143 CD2 PHE A 85 0.505 2.693 -3.986 1.00 1.00 C ATOM 1144 CE1 PHE A 85 0.156 1.797 -1.343 1.00 1.00 C ATOM 1145 CE2 PHE A 85 1.592 2.660 -3.101 1.00 1.00 C ATOM 1146 CZ PHE A 85 1.419 2.211 -1.785 1.00 1.00 C ATOM 0 HA PHE A 85 -2.828 0.972 -3.362 1.00 1.00 H new ATOM 0 HB2 PHE A 85 -1.515 2.152 -5.627 1.00 1.00 H new ATOM 0 HB3 PHE A 85 -2.357 3.333 -4.643 1.00 1.00 H new ATOM 0 HD1 PHE A 85 -1.906 1.497 -1.869 1.00 1.00 H new ATOM 0 HD2 PHE A 85 0.648 3.043 -4.998 1.00 1.00 H new ATOM 0 HE1 PHE A 85 0.026 1.459 -0.326 1.00 1.00 H new ATOM 0 HE2 PHE A 85 2.567 2.982 -3.435 1.00 1.00 H new ATOM 0 HZ PHE A 85 2.262 2.184 -1.110 1.00 1.00 H new ATOM 1156 N CYS A 86 -4.967 2.695 -5.187 1.00 1.00 N ATOM 1157 CA CYS A 86 -6.465 3.222 -5.053 1.00 1.00 C ATOM 1158 C CYS A 86 -7.492 2.991 -6.150 1.00 1.00 C ATOM 1159 O CYS A 86 -7.421 3.484 -7.276 1.00 1.00 O ATOM 1160 CB CYS A 86 -6.424 4.589 -4.808 1.00 1.00 C ATOM 1161 SG CYS A 86 -5.506 5.354 -6.352 1.00 1.00 S ATOM 0 H CYS A 86 -4.425 3.103 -5.949 1.00 1.00 H new ATOM 0 HA CYS A 86 -6.839 2.584 -4.252 1.00 1.00 H new ATOM 0 HB2 CYS A 86 -7.428 5.001 -4.702 1.00 1.00 H new ATOM 0 HB3 CYS A 86 -5.890 4.808 -3.883 1.00 1.00 H new ATOM 1166 N GLN A 87 -8.552 2.193 -5.701 1.00 1.00 N ATOM 1167 CA GLN A 87 -9.636 1.840 -6.498 1.00 1.00 C ATOM 1168 C GLN A 87 -10.442 0.649 -5.867 1.00 1.00 C ATOM 1169 O GLN A 87 -11.668 0.643 -5.900 1.00 1.00 O ATOM 1170 CB GLN A 87 -9.103 1.512 -7.883 1.00 1.00 C ATOM 1171 CG GLN A 87 -9.885 0.375 -8.540 1.00 1.00 C ATOM 1172 CD GLN A 87 -9.489 -0.981 -7.935 1.00 1.00 C ATOM 1173 OE1 GLN A 87 -8.484 -1.079 -7.240 1.00 1.00 O ATOM 1174 NE2 GLN A 87 -10.228 -2.026 -8.167 1.00 1.00 N ATOM 0 H GLN A 87 -8.601 1.815 -4.755 1.00 1.00 H new ATOM 0 HA GLN A 87 -10.343 2.666 -6.571 1.00 1.00 H new ATOM 0 HB2 GLN A 87 -9.156 2.400 -8.512 1.00 1.00 H new ATOM 0 HB3 GLN A 87 -8.051 1.235 -7.811 1.00 1.00 H new ATOM 0 HG2 GLN A 87 -10.954 0.539 -8.407 1.00 1.00 H new ATOM 0 HG3 GLN A 87 -9.694 0.369 -9.613 1.00 1.00 H new ATOM 0 HE21 GLN A 87 -11.064 -1.941 -8.746 1.00 1.00 H new ATOM 0 HE22 GLN A 87 -9.972 -2.930 -7.770 1.00 1.00 H new ATOM 1183 N GLY A 88 -9.751 -0.324 -5.362 1.00 1.00 N ATOM 1184 CA GLY A 88 -10.428 -1.530 -4.784 1.00 1.00 C ATOM 1185 C GLY A 88 -11.255 -1.257 -3.488 1.00 1.00 C ATOM 1186 O GLY A 88 -12.199 -0.463 -3.489 1.00 1.00 O ATOM 0 H GLY A 88 -8.732 -0.345 -5.320 1.00 1.00 H new ATOM 0 HA2 GLY A 88 -11.090 -1.954 -5.539 1.00 1.00 H new ATOM 0 HA3 GLY A 88 -9.672 -2.283 -4.564 1.00 1.00 H new ATOM 1190 N THR A 89 -10.929 -2.031 -2.409 1.00 1.00 N ATOM 1191 CA THR A 89 -11.694 -1.984 -1.134 1.00 1.00 C ATOM 1192 C THR A 89 -10.901 -1.698 0.152 1.00 1.00 C ATOM 1193 O THR A 89 -11.213 -0.747 0.851 1.00 1.00 O ATOM 1194 CB THR A 89 -12.478 -3.381 -1.045 1.00 1.00 C ATOM 1195 OG1 THR A 89 -13.813 -3.126 -0.636 1.00 1.00 O ATOM 1196 CG2 THR A 89 -11.838 -4.407 -0.049 1.00 1.00 C ATOM 0 H THR A 89 -10.148 -2.687 -2.401 1.00 1.00 H new ATOM 0 HA THR A 89 -12.351 -1.115 -1.176 1.00 1.00 H new ATOM 0 HB THR A 89 -12.428 -3.832 -2.036 1.00 1.00 H new ATOM 0 HG1 THR A 89 -14.305 -3.972 -0.579 1.00 1.00 H new ATOM 0 HG21 THR A 89 -12.425 -5.325 -0.045 1.00 1.00 H new ATOM 0 HG22 THR A 89 -10.818 -4.630 -0.362 1.00 1.00 H new ATOM 0 HG23 THR A 89 -11.825 -3.981 0.954 1.00 1.00 H new ATOM 1204 N ALA A 90 -10.039 -2.560 0.504 1.00 1.00 N ATOM 1205 CA ALA A 90 -9.342 -2.494 1.768 1.00 1.00 C ATOM 1206 C ALA A 90 -10.180 -3.328 2.739 1.00 1.00 C ATOM 1207 O ALA A 90 -11.354 -3.066 2.998 1.00 1.00 O ATOM 1208 CB ALA A 90 -9.117 -1.099 2.304 1.00 1.00 C ATOM 0 H ALA A 90 -9.774 -3.358 -0.073 1.00 1.00 H new ATOM 0 HA ALA A 90 -8.330 -2.876 1.636 1.00 1.00 H new ATOM 0 HB1 ALA A 90 -8.587 -1.156 3.255 1.00 1.00 H new ATOM 0 HB2 ALA A 90 -8.523 -0.527 1.591 1.00 1.00 H new ATOM 0 HB3 ALA A 90 -10.078 -0.607 2.453 1.00 1.00 H new ATOM 1214 N GLY A 91 -9.513 -4.276 3.273 1.00 1.00 N ATOM 1215 CA GLY A 91 -10.126 -5.270 4.358 1.00 1.00 C ATOM 1216 C GLY A 91 -9.003 -6.023 5.485 1.00 1.00 C ATOM 1217 O GLY A 91 -9.444 -6.544 6.499 1.00 1.00 O ATOM 0 H GLY A 91 -8.538 -4.469 3.046 1.00 1.00 H new ATOM 0 HA2 GLY A 91 -10.869 -4.721 4.937 1.00 1.00 H new ATOM 0 HA3 GLY A 91 -10.656 -6.062 3.829 1.00 1.00 H new ATOM 1221 N HIS A 92 -7.609 -5.938 5.249 1.00 1.00 N ATOM 1222 CA HIS A 92 -6.489 -6.502 6.280 1.00 1.00 C ATOM 1223 C HIS A 92 -6.547 -7.968 6.629 1.00 1.00 C ATOM 1224 O HIS A 92 -7.589 -8.426 7.105 1.00 1.00 O ATOM 1225 CB HIS A 92 -6.659 -5.723 7.707 1.00 1.00 C ATOM 1226 CG HIS A 92 -7.561 -6.480 8.715 1.00 1.00 C ATOM 1227 ND1 HIS A 92 -8.927 -6.253 8.811 1.00 1.00 N ATOM 1228 CD2 HIS A 92 -7.274 -7.431 9.651 1.00 1.00 C ATOM 1229 CE1 HIS A 92 -9.402 -7.060 9.782 1.00 1.00 C ATOM 1230 NE2 HIS A 92 -8.434 -7.798 10.324 1.00 1.00 N ATOM 0 H HIS A 92 -7.213 -5.514 4.410 1.00 1.00 H new ATOM 0 HA HIS A 92 -5.551 -6.335 5.751 1.00 1.00 H new ATOM 0 HB2 HIS A 92 -5.675 -5.574 8.151 1.00 1.00 H new ATOM 0 HB3 HIS A 92 -7.080 -4.734 7.525 1.00 1.00 H new ATOM 0 HD1 HIS A 92 -9.471 -5.597 8.251 1.00 1.00 H new ATOM 0 HD2 HIS A 92 -6.292 -7.838 9.841 1.00 1.00 H new ATOM 0 HE1 HIS A 92 -10.438 -7.103 10.083 1.00 1.00 H new ATOM 1239 N ALA A 93 -5.509 -8.730 6.428 1.00 1.00 N ATOM 1240 CA ALA A 93 -5.592 -10.233 6.816 1.00 1.00 C ATOM 1241 C ALA A 93 -4.864 -10.465 8.145 1.00 1.00 C ATOM 1242 O ALA A 93 -3.783 -11.053 8.177 1.00 1.00 O ATOM 1243 CB ALA A 93 -4.930 -11.163 5.709 1.00 1.00 C ATOM 0 H ALA A 93 -4.621 -8.425 6.029 1.00 1.00 H new ATOM 0 HA ALA A 93 -6.647 -10.491 6.904 1.00 1.00 H new ATOM 0 HB1 ALA A 93 -5.008 -12.206 6.016 1.00 1.00 H new ATOM 0 HB2 ALA A 93 -5.448 -11.025 4.760 1.00 1.00 H new ATOM 0 HB3 ALA A 93 -3.880 -10.897 5.591 1.00 1.00 H new ATOM 1249 N ALA A 94 -5.469 -9.997 9.236 1.00 1.00 N ATOM 1250 CA ALA A 94 -4.872 -10.157 10.571 1.00 1.00 C ATOM 1251 C ALA A 94 -4.260 -11.561 10.721 1.00 1.00 C ATOM 1252 O ALA A 94 -5.019 -12.515 10.770 1.00 1.00 O ATOM 1253 CB ALA A 94 -5.972 -9.935 11.680 1.00 1.00 C ATOM 0 H ALA A 94 -6.364 -9.508 9.228 1.00 1.00 H new ATOM 0 HA ALA A 94 -4.083 -9.415 10.691 1.00 1.00 H new ATOM 0 HB1 ALA A 94 -5.524 -10.055 12.666 1.00 1.00 H new ATOM 0 HB2 ALA A 94 -6.384 -8.930 11.588 1.00 1.00 H new ATOM 0 HB3 ALA A 94 -6.770 -10.667 11.553 1.00 1.00 H new