USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 549 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 1 GLY N :NH3+ -173:sc= 1.3 (180deg=0) USER MOD Set 1.2: A 5 GLN : amide:sc= 0.884 K(o=2.2,f=-11!) USER MOD Single : A 2 SER OG : rot 46:sc= 0.423 USER MOD Single : A 7 SER OG : rot 180:sc= 0.0272 USER MOD Single : A 8 THR OG1 : rot 120:sc= -0.184 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.549 K(o=-0.55,f=-4.4!) USER MOD Single : A 15 GLN : amide:sc= -2.7! K(o=-2.7!,f=-1.2) USER MOD Single : A 16 ASN : amide:sc=-0.00203 K(o=-0.002,f=-0.8) USER MOD Single : A 22 SER OG : rot 180:sc=0.000342 USER MOD Single : A 26 THR OG1 : rot -41:sc= 1.24 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0612 USER MOD Single : A 51 THR OG1 : rot 68:sc= 1.23 USER MOD Single : A 55 SER OG : rot 170:sc= -0.144 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.0545 USER MOD Single : A 67 SER OG : rot -58:sc= 1.18 USER MOD Single : A 69 ASN : amide:sc= -0.718 K(o=-0.72,f=-0.092) USER MOD Single : A 70 ASN : amide:sc= -1.47! K(o=-1.5!,f=-0.066) USER MOD Single : A 72 SER OG : rot -149:sc= -2.38! USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.127 9.591 -4.344 1.00 5.63 N ATOM 2 CA GLY A 1 -14.080 8.875 -5.104 1.00 4.92 C ATOM 3 C GLY A 1 -14.476 7.445 -5.384 1.00 4.01 C ATOM 4 O GLY A 1 -15.106 6.796 -4.548 1.00 4.29 O ATOM 0 H1 GLY A 1 -14.877 10.598 -4.272 1.00 5.63 H new ATOM 0 H2 GLY A 1 -16.039 9.495 -4.835 1.00 5.63 H new ATOM 0 H3 GLY A 1 -15.203 9.184 -3.390 1.00 5.63 H new ATOM 0 HA2 GLY A 1 -13.895 9.393 -6.045 1.00 4.92 H new ATOM 0 HA3 GLY A 1 -13.146 8.891 -4.542 1.00 4.92 H new ATOM 10 N SER A 2 -14.113 6.948 -6.556 1.00 3.39 N ATOM 11 CA SER A 2 -14.476 5.600 -6.956 1.00 2.92 C ATOM 12 C SER A 2 -13.511 4.574 -6.371 1.00 2.13 C ATOM 13 O SER A 2 -13.802 3.380 -6.341 1.00 2.36 O ATOM 14 CB SER A 2 -14.506 5.506 -8.484 1.00 3.61 C ATOM 15 OG SER A 2 -13.365 6.126 -9.058 1.00 4.28 O ATOM 0 H SER A 2 -13.566 7.460 -7.248 1.00 3.39 H new ATOM 0 HA SER A 2 -15.469 5.377 -6.566 1.00 2.92 H new ATOM 0 HB2 SER A 2 -14.545 4.459 -8.786 1.00 3.61 H new ATOM 0 HB3 SER A 2 -15.411 5.981 -8.863 1.00 3.61 H new ATOM 0 HG SER A 2 -12.561 5.846 -8.572 1.00 4.28 H new ATOM 21 N TRP A 3 -12.372 5.048 -5.884 1.00 1.93 N ATOM 22 CA TRP A 3 -11.353 4.169 -5.329 1.00 1.69 C ATOM 23 C TRP A 3 -11.388 4.221 -3.806 1.00 1.84 C ATOM 24 O TRP A 3 -10.349 4.202 -3.146 1.00 2.71 O ATOM 25 CB TRP A 3 -9.966 4.576 -5.840 1.00 2.33 C ATOM 26 CG TRP A 3 -9.894 4.710 -7.332 1.00 2.76 C ATOM 27 CD1 TRP A 3 -10.185 5.822 -8.069 1.00 3.47 C ATOM 28 CD2 TRP A 3 -9.507 3.700 -8.270 1.00 3.17 C ATOM 29 NE1 TRP A 3 -10.010 5.562 -9.405 1.00 4.11 N ATOM 30 CE2 TRP A 3 -9.591 4.268 -9.554 1.00 3.90 C ATOM 31 CE3 TRP A 3 -9.096 2.374 -8.147 1.00 3.49 C ATOM 32 CZ2 TRP A 3 -9.282 3.551 -10.708 1.00 4.62 C ATOM 33 CZ3 TRP A 3 -8.789 1.662 -9.293 1.00 4.30 C ATOM 34 CH2 TRP A 3 -8.882 2.253 -10.558 1.00 4.74 C ATOM 0 H TRP A 3 -12.131 6.039 -5.862 1.00 1.93 H new ATOM 0 HA TRP A 3 -11.558 3.148 -5.651 1.00 1.69 H new ATOM 0 HB2 TRP A 3 -9.683 5.525 -5.384 1.00 2.33 H new ATOM 0 HB3 TRP A 3 -9.236 3.836 -5.514 1.00 2.33 H new ATOM 0 HD1 TRP A 3 -10.506 6.769 -7.660 1.00 3.47 H new ATOM 0 HE1 TRP A 3 -10.167 6.226 -10.164 1.00 4.11 H new ATOM 0 HE3 TRP A 3 -9.019 1.910 -7.175 1.00 3.49 H new ATOM 0 HZ2 TRP A 3 -9.356 4.005 -11.685 1.00 4.62 H new ATOM 0 HZ3 TRP A 3 -8.472 0.633 -9.210 1.00 4.30 H new ATOM 0 HH2 TRP A 3 -8.633 1.672 -11.433 1.00 4.74 H new ATOM 45 N GLY A 4 -12.590 4.303 -3.256 1.00 1.61 N ATOM 46 CA GLY A 4 -12.749 4.372 -1.819 1.00 2.03 C ATOM 47 C GLY A 4 -12.782 5.799 -1.313 1.00 1.82 C ATOM 48 O GLY A 4 -12.168 6.690 -1.903 1.00 1.87 O ATOM 0 H GLY A 4 -13.463 4.323 -3.783 1.00 1.61 H new ATOM 0 HA2 GLY A 4 -13.671 3.866 -1.533 1.00 2.03 H new ATOM 0 HA3 GLY A 4 -11.930 3.837 -1.339 1.00 2.03 H new ATOM 52 N GLN A 5 -13.501 6.021 -0.223 1.00 1.92 N ATOM 53 CA GLN A 5 -13.587 7.342 0.377 1.00 1.96 C ATOM 54 C GLN A 5 -12.439 7.553 1.351 1.00 1.53 C ATOM 55 O GLN A 5 -12.408 6.949 2.423 1.00 1.64 O ATOM 56 CB GLN A 5 -14.921 7.506 1.107 1.00 2.55 C ATOM 57 CG GLN A 5 -16.127 7.533 0.186 1.00 3.13 C ATOM 58 CD GLN A 5 -16.071 8.676 -0.804 1.00 3.34 C ATOM 59 OE1 GLN A 5 -15.560 8.528 -1.912 1.00 3.26 O ATOM 60 NE2 GLN A 5 -16.582 9.828 -0.406 1.00 4.17 N ATOM 0 H GLN A 5 -14.034 5.301 0.264 1.00 1.92 H new ATOM 0 HA GLN A 5 -13.522 8.087 -0.416 1.00 1.96 H new ATOM 0 HB2 GLN A 5 -15.038 6.688 1.818 1.00 2.55 H new ATOM 0 HB3 GLN A 5 -14.897 8.430 1.685 1.00 2.55 H new ATOM 0 HG2 GLN A 5 -16.188 6.589 -0.356 1.00 3.13 H new ATOM 0 HG3 GLN A 5 -17.035 7.617 0.783 1.00 3.13 H new ATOM 0 HE21 GLN A 5 -16.997 9.908 0.522 1.00 4.17 H new ATOM 0 HE22 GLN A 5 -16.561 10.637 -1.027 1.00 4.17 H new ATOM 69 N CYS A 6 -11.499 8.409 0.985 1.00 1.29 N ATOM 70 CA CYS A 6 -10.339 8.657 1.824 1.00 0.94 C ATOM 71 C CYS A 6 -9.734 10.022 1.515 1.00 0.96 C ATOM 72 O CYS A 6 -9.605 10.410 0.352 1.00 1.88 O ATOM 73 CB CYS A 6 -9.296 7.558 1.617 1.00 0.81 C ATOM 74 SG CYS A 6 -7.841 7.697 2.703 1.00 0.61 S ATOM 0 H CYS A 6 -11.516 8.942 0.115 1.00 1.29 H new ATOM 0 HA CYS A 6 -10.658 8.650 2.866 1.00 0.94 H new ATOM 0 HB2 CYS A 6 -9.768 6.589 1.782 1.00 0.81 H new ATOM 0 HB3 CYS A 6 -8.964 7.578 0.579 1.00 0.81 H new ATOM 79 N SER A 7 -9.377 10.749 2.563 1.00 0.91 N ATOM 80 CA SER A 7 -8.782 12.068 2.418 1.00 0.99 C ATOM 81 C SER A 7 -7.278 11.968 2.172 1.00 1.25 C ATOM 82 O SER A 7 -6.649 12.918 1.701 1.00 1.82 O ATOM 83 CB SER A 7 -9.070 12.898 3.670 1.00 1.55 C ATOM 84 OG SER A 7 -8.806 12.148 4.844 1.00 2.40 O ATOM 0 H SER A 7 -9.490 10.444 3.530 1.00 0.91 H new ATOM 0 HA SER A 7 -9.225 12.560 1.552 1.00 0.99 H new ATOM 0 HB2 SER A 7 -8.457 13.799 3.663 1.00 1.55 H new ATOM 0 HB3 SER A 7 -10.111 13.221 3.666 1.00 1.55 H new ATOM 0 HG SER A 7 -8.995 12.698 5.633 1.00 2.40 H new ATOM 90 N THR A 8 -6.711 10.813 2.487 1.00 1.48 N ATOM 91 CA THR A 8 -5.292 10.571 2.285 1.00 2.09 C ATOM 92 C THR A 8 -5.007 10.166 0.837 1.00 1.70 C ATOM 93 O THR A 8 -3.899 10.359 0.329 1.00 2.23 O ATOM 94 CB THR A 8 -4.792 9.485 3.262 1.00 2.93 C ATOM 95 OG1 THR A 8 -4.963 9.943 4.609 1.00 3.15 O ATOM 96 CG2 THR A 8 -3.330 9.140 3.031 1.00 3.75 C ATOM 0 H THR A 8 -7.218 10.023 2.887 1.00 1.48 H new ATOM 0 HA THR A 8 -4.753 11.497 2.487 1.00 2.09 H new ATOM 0 HB THR A 8 -5.379 8.584 3.086 1.00 2.93 H new ATOM 0 HG1 THR A 8 -5.558 9.330 5.090 1.00 3.15 H new ATOM 0 HG21 THR A 8 -3.021 8.372 3.740 1.00 3.75 H new ATOM 0 HG22 THR A 8 -3.200 8.769 2.015 1.00 3.75 H new ATOM 0 HG23 THR A 8 -2.719 10.032 3.172 1.00 3.75 H new ATOM 104 N GLY A 9 -6.016 9.624 0.171 1.00 0.97 N ATOM 105 CA GLY A 9 -5.859 9.227 -1.212 1.00 0.72 C ATOM 106 C GLY A 9 -6.803 8.112 -1.604 1.00 0.71 C ATOM 107 O GLY A 9 -7.968 8.107 -1.206 1.00 1.12 O ATOM 0 H GLY A 9 -6.941 9.452 0.564 1.00 0.97 H new ATOM 0 HA2 GLY A 9 -6.032 10.089 -1.856 1.00 0.72 H new ATOM 0 HA3 GLY A 9 -4.831 8.905 -1.380 1.00 0.72 H new ATOM 111 N SER A 10 -6.301 7.166 -2.381 1.00 0.38 N ATOM 112 CA SER A 10 -7.089 6.051 -2.845 1.00 0.39 C ATOM 113 C SER A 10 -6.951 4.870 -1.891 1.00 0.28 C ATOM 114 O SER A 10 -5.856 4.577 -1.405 1.00 0.29 O ATOM 115 CB SER A 10 -6.610 5.665 -4.233 1.00 0.52 C ATOM 116 OG SER A 10 -6.615 6.787 -5.100 1.00 0.96 O ATOM 0 H SER A 10 -5.334 7.156 -2.705 1.00 0.38 H new ATOM 0 HA SER A 10 -8.141 6.333 -2.882 1.00 0.39 H new ATOM 0 HB2 SER A 10 -5.603 5.251 -4.173 1.00 0.52 H new ATOM 0 HB3 SER A 10 -7.252 4.883 -4.639 1.00 0.52 H new ATOM 0 HG SER A 10 -6.301 6.516 -5.988 1.00 0.96 H new ATOM 122 N ILE A 11 -8.055 4.190 -1.628 1.00 0.32 N ATOM 123 CA ILE A 11 -8.042 3.063 -0.714 1.00 0.27 C ATOM 124 C ILE A 11 -7.780 1.770 -1.456 1.00 0.20 C ATOM 125 O ILE A 11 -8.312 1.524 -2.540 1.00 0.26 O ATOM 126 CB ILE A 11 -9.355 2.955 0.088 1.00 0.39 C ATOM 127 CG1 ILE A 11 -9.544 4.205 0.936 1.00 0.50 C ATOM 128 CG2 ILE A 11 -9.357 1.720 0.976 1.00 0.40 C ATOM 129 CD1 ILE A 11 -10.749 4.139 1.844 1.00 0.96 C ATOM 0 H ILE A 11 -8.967 4.399 -2.033 1.00 0.32 H new ATOM 0 HA ILE A 11 -7.232 3.237 -0.006 1.00 0.27 H new ATOM 0 HB ILE A 11 -10.180 2.865 -0.618 1.00 0.39 H new ATOM 0 HG12 ILE A 11 -8.651 4.363 1.541 1.00 0.50 H new ATOM 0 HG13 ILE A 11 -9.641 5.069 0.279 1.00 0.50 H new ATOM 0 HG21 ILE A 11 -10.295 1.671 1.529 1.00 0.40 H new ATOM 0 HG22 ILE A 11 -9.253 0.828 0.359 1.00 0.40 H new ATOM 0 HG23 ILE A 11 -8.525 1.775 1.678 1.00 0.40 H new ATOM 0 HD11 ILE A 11 -10.823 5.062 2.419 1.00 0.96 H new ATOM 0 HD12 ILE A 11 -11.650 4.012 1.244 1.00 0.96 H new ATOM 0 HD13 ILE A 11 -10.645 3.295 2.526 1.00 0.96 H new ATOM 141 N GLN A 12 -6.947 0.957 -0.857 1.00 0.13 N ATOM 142 CA GLN A 12 -6.510 -0.284 -1.455 1.00 0.10 C ATOM 143 C GLN A 12 -6.309 -1.337 -0.377 1.00 0.11 C ATOM 144 O GLN A 12 -6.149 -1.014 0.799 1.00 0.17 O ATOM 145 CB GLN A 12 -5.228 -0.060 -2.266 1.00 0.12 C ATOM 146 CG GLN A 12 -4.465 1.190 -1.870 1.00 0.22 C ATOM 147 CD GLN A 12 -3.599 1.716 -2.998 1.00 0.39 C ATOM 148 OE1 GLN A 12 -2.453 1.321 -3.159 1.00 0.91 O ATOM 149 NE2 GLN A 12 -4.149 2.620 -3.789 1.00 0.35 N ATOM 0 H GLN A 12 -6.549 1.137 0.065 1.00 0.13 H new ATOM 0 HA GLN A 12 -7.278 -0.644 -2.140 1.00 0.10 H new ATOM 0 HB2 GLN A 12 -4.577 -0.926 -2.145 1.00 0.12 H new ATOM 0 HB3 GLN A 12 -5.484 0.001 -3.324 1.00 0.12 H new ATOM 0 HG2 GLN A 12 -5.171 1.963 -1.566 1.00 0.22 H new ATOM 0 HG3 GLN A 12 -3.839 0.972 -1.005 1.00 0.22 H new ATOM 0 HE21 GLN A 12 -5.108 2.926 -3.624 1.00 0.35 H new ATOM 0 HE22 GLN A 12 -3.615 3.012 -4.564 1.00 0.35 H new ATOM 158 N CYS A 13 -6.353 -2.590 -0.775 1.00 0.12 N ATOM 159 CA CYS A 13 -6.221 -3.683 0.166 1.00 0.16 C ATOM 160 C CYS A 13 -4.896 -4.394 -0.046 1.00 0.13 C ATOM 161 O CYS A 13 -4.728 -5.159 -0.999 1.00 0.15 O ATOM 162 CB CYS A 13 -7.399 -4.654 0.037 1.00 0.25 C ATOM 163 SG CYS A 13 -7.247 -6.144 1.076 1.00 0.34 S ATOM 0 H CYS A 13 -6.479 -2.878 -1.745 1.00 0.12 H new ATOM 0 HA CYS A 13 -6.235 -3.280 1.179 1.00 0.16 H new ATOM 0 HB2 CYS A 13 -8.318 -4.131 0.301 1.00 0.25 H new ATOM 0 HB3 CYS A 13 -7.494 -4.958 -1.005 1.00 0.25 H new ATOM 168 N CYS A 14 -3.956 -4.115 0.842 1.00 0.12 N ATOM 169 CA CYS A 14 -2.607 -4.640 0.733 1.00 0.12 C ATOM 170 C CYS A 14 -2.501 -6.006 1.378 1.00 0.15 C ATOM 171 O CYS A 14 -3.024 -6.240 2.467 1.00 0.19 O ATOM 172 CB CYS A 14 -1.609 -3.693 1.397 1.00 0.14 C ATOM 173 SG CYS A 14 -1.271 -2.153 0.477 1.00 0.13 S ATOM 0 H CYS A 14 -4.107 -3.520 1.656 1.00 0.12 H new ATOM 0 HA CYS A 14 -2.373 -4.730 -0.328 1.00 0.12 H new ATOM 0 HB2 CYS A 14 -1.983 -3.432 2.387 1.00 0.14 H new ATOM 0 HB3 CYS A 14 -0.669 -4.225 1.542 1.00 0.14 H new ATOM 178 N GLN A 15 -1.825 -6.904 0.684 1.00 0.15 N ATOM 179 CA GLN A 15 -1.518 -8.213 1.214 1.00 0.16 C ATOM 180 C GLN A 15 -0.421 -8.068 2.270 1.00 0.18 C ATOM 181 O GLN A 15 -0.394 -8.791 3.264 1.00 0.23 O ATOM 182 CB GLN A 15 -1.120 -9.160 0.055 1.00 0.17 C ATOM 183 CG GLN A 15 0.351 -9.571 -0.009 1.00 0.23 C ATOM 184 CD GLN A 15 0.740 -10.574 1.066 1.00 0.31 C ATOM 185 OE1 GLN A 15 1.885 -10.605 1.518 1.00 0.38 O ATOM 186 NE2 GLN A 15 -0.211 -11.396 1.484 1.00 0.33 N ATOM 0 H GLN A 15 -1.476 -6.743 -0.261 1.00 0.15 H new ATOM 0 HA GLN A 15 -2.387 -8.657 1.699 1.00 0.16 H new ATOM 0 HB2 GLN A 15 -1.725 -10.064 0.129 1.00 0.17 H new ATOM 0 HB3 GLN A 15 -1.382 -8.677 -0.887 1.00 0.17 H new ATOM 0 HG2 GLN A 15 0.559 -10.000 -0.989 1.00 0.23 H new ATOM 0 HG3 GLN A 15 0.974 -8.682 0.090 1.00 0.23 H new ATOM 0 HE21 GLN A 15 -1.147 -11.338 1.084 1.00 0.33 H new ATOM 0 HE22 GLN A 15 -0.007 -12.087 2.206 1.00 0.33 H new ATOM 195 N ASN A 16 0.458 -7.104 2.052 1.00 0.17 N ATOM 196 CA ASN A 16 1.544 -6.819 2.978 1.00 0.21 C ATOM 197 C ASN A 16 1.543 -5.340 3.319 1.00 0.21 C ATOM 198 O ASN A 16 1.378 -4.511 2.432 1.00 0.40 O ATOM 199 CB ASN A 16 2.888 -7.179 2.349 1.00 0.29 C ATOM 200 CG ASN A 16 3.839 -7.837 3.323 1.00 0.62 C ATOM 201 OD1 ASN A 16 3.858 -7.517 4.510 1.00 1.03 O ATOM 202 ND2 ASN A 16 4.620 -8.779 2.821 1.00 0.75 N ATOM 0 H ASN A 16 0.440 -6.498 1.232 1.00 0.17 H new ATOM 0 HA ASN A 16 1.398 -7.413 3.880 1.00 0.21 H new ATOM 0 HB2 ASN A 16 2.720 -7.848 1.505 1.00 0.29 H new ATOM 0 HB3 ASN A 16 3.351 -6.275 1.952 1.00 0.29 H new ATOM 0 HD21 ASN A 16 5.274 -9.275 3.426 1.00 0.75 H new ATOM 0 HD22 ASN A 16 4.568 -9.009 1.829 1.00 0.75 H new ATOM 209 N VAL A 17 1.701 -5.010 4.587 1.00 0.16 N ATOM 210 CA VAL A 17 1.830 -3.618 4.997 1.00 0.13 C ATOM 211 C VAL A 17 3.091 -3.443 5.827 1.00 0.14 C ATOM 212 O VAL A 17 3.157 -3.868 6.982 1.00 0.18 O ATOM 213 CB VAL A 17 0.601 -3.125 5.792 1.00 0.14 C ATOM 214 CG1 VAL A 17 0.796 -1.690 6.262 1.00 0.17 C ATOM 215 CG2 VAL A 17 -0.652 -3.237 4.941 1.00 0.14 C ATOM 0 H VAL A 17 1.743 -5.683 5.352 1.00 0.16 H new ATOM 0 HA VAL A 17 1.893 -3.013 4.092 1.00 0.13 H new ATOM 0 HB VAL A 17 0.487 -3.757 6.673 1.00 0.14 H new ATOM 0 HG11 VAL A 17 -0.083 -1.367 6.819 1.00 0.17 H new ATOM 0 HG12 VAL A 17 1.674 -1.634 6.905 1.00 0.17 H new ATOM 0 HG13 VAL A 17 0.937 -1.040 5.398 1.00 0.17 H new ATOM 0 HG21 VAL A 17 -1.512 -2.887 5.512 1.00 0.14 H new ATOM 0 HG22 VAL A 17 -0.539 -2.627 4.045 1.00 0.14 H new ATOM 0 HG23 VAL A 17 -0.806 -4.278 4.655 1.00 0.14 H new ATOM 225 N VAL A 18 4.094 -2.830 5.222 1.00 0.12 N ATOM 226 CA VAL A 18 5.402 -2.710 5.840 1.00 0.13 C ATOM 227 C VAL A 18 5.957 -1.299 5.682 1.00 0.12 C ATOM 228 O VAL A 18 5.745 -0.648 4.662 1.00 0.12 O ATOM 229 CB VAL A 18 6.400 -3.716 5.219 1.00 0.13 C ATOM 230 CG1 VAL A 18 6.042 -5.141 5.608 1.00 0.18 C ATOM 231 CG2 VAL A 18 6.434 -3.576 3.702 1.00 0.13 C ATOM 0 H VAL A 18 4.026 -2.405 4.297 1.00 0.12 H new ATOM 0 HA VAL A 18 5.279 -2.930 6.901 1.00 0.13 H new ATOM 0 HB VAL A 18 7.392 -3.490 5.610 1.00 0.13 H new ATOM 0 HG11 VAL A 18 6.757 -5.831 5.160 1.00 0.18 H new ATOM 0 HG12 VAL A 18 6.072 -5.241 6.693 1.00 0.18 H new ATOM 0 HG13 VAL A 18 5.039 -5.375 5.250 1.00 0.18 H new ATOM 0 HG21 VAL A 18 7.142 -4.293 3.286 1.00 0.13 H new ATOM 0 HG22 VAL A 18 5.441 -3.770 3.296 1.00 0.13 H new ATOM 0 HG23 VAL A 18 6.743 -2.565 3.437 1.00 0.13 H new ATOM 241 N PRO A 19 6.645 -0.792 6.712 1.00 0.14 N ATOM 242 CA PRO A 19 7.382 0.467 6.614 1.00 0.15 C ATOM 243 C PRO A 19 8.418 0.417 5.499 1.00 0.12 C ATOM 244 O PRO A 19 9.075 -0.602 5.296 1.00 0.10 O ATOM 245 CB PRO A 19 8.062 0.599 7.979 1.00 0.17 C ATOM 246 CG PRO A 19 7.260 -0.259 8.896 1.00 0.19 C ATOM 247 CD PRO A 19 6.733 -1.387 8.056 1.00 0.17 C ATOM 0 HA PRO A 19 6.734 1.311 6.377 1.00 0.15 H new ATOM 0 HB2 PRO A 19 9.100 0.268 7.936 1.00 0.17 H new ATOM 0 HB3 PRO A 19 8.072 1.635 8.316 1.00 0.17 H new ATOM 0 HG2 PRO A 19 7.874 -0.636 9.714 1.00 0.19 H new ATOM 0 HG3 PRO A 19 6.444 0.307 9.345 1.00 0.19 H new ATOM 0 HD2 PRO A 19 7.401 -2.248 8.072 1.00 0.17 H new ATOM 0 HD3 PRO A 19 5.761 -1.732 8.408 1.00 0.17 H new ATOM 255 N GLY A 20 8.550 1.513 4.763 1.00 0.14 N ATOM 256 CA GLY A 20 9.504 1.565 3.670 1.00 0.13 C ATOM 257 C GLY A 20 10.938 1.474 4.153 1.00 0.14 C ATOM 258 O GLY A 20 11.831 1.088 3.401 1.00 0.18 O ATOM 0 H GLY A 20 8.013 2.369 4.903 1.00 0.14 H new ATOM 0 HA2 GLY A 20 9.304 0.748 2.977 1.00 0.13 H new ATOM 0 HA3 GLY A 20 9.368 2.494 3.116 1.00 0.13 H new ATOM 262 N ASP A 21 11.156 1.836 5.413 1.00 0.17 N ATOM 263 CA ASP A 21 12.473 1.739 6.031 1.00 0.21 C ATOM 264 C ASP A 21 12.589 0.431 6.804 1.00 0.19 C ATOM 265 O ASP A 21 13.627 0.134 7.392 1.00 0.23 O ATOM 266 CB ASP A 21 12.713 2.915 6.983 1.00 0.31 C ATOM 267 CG ASP A 21 11.999 2.741 8.311 1.00 1.23 C ATOM 268 OD1 ASP A 21 12.668 2.424 9.316 1.00 1.22 O ATOM 269 OD2 ASP A 21 10.764 2.926 8.356 1.00 2.27 O ATOM 0 H ASP A 21 10.431 2.202 6.030 1.00 0.17 H new ATOM 0 HA ASP A 21 13.224 1.766 5.241 1.00 0.21 H new ATOM 0 HB2 ASP A 21 13.783 3.022 7.161 1.00 0.31 H new ATOM 0 HB3 ASP A 21 12.374 3.837 6.510 1.00 0.31 H new ATOM 274 N SER A 22 11.513 -0.339 6.806 1.00 0.16 N ATOM 275 CA SER A 22 11.509 -1.644 7.441 1.00 0.17 C ATOM 276 C SER A 22 12.406 -2.587 6.668 1.00 0.16 C ATOM 277 O SER A 22 12.557 -2.450 5.458 1.00 0.14 O ATOM 278 CB SER A 22 10.085 -2.204 7.493 1.00 0.18 C ATOM 279 OG SER A 22 10.069 -3.562 7.898 1.00 0.24 O ATOM 0 H SER A 22 10.627 -0.080 6.372 1.00 0.16 H new ATOM 0 HA SER A 22 11.882 -1.544 8.460 1.00 0.17 H new ATOM 0 HB2 SER A 22 9.486 -1.611 8.184 1.00 0.18 H new ATOM 0 HB3 SER A 22 9.622 -2.112 6.511 1.00 0.18 H new ATOM 0 HG SER A 22 9.144 -3.885 7.922 1.00 0.24 H new ATOM 285 N ASP A 23 12.985 -3.551 7.360 1.00 0.20 N ATOM 286 CA ASP A 23 13.849 -4.530 6.711 1.00 0.22 C ATOM 287 C ASP A 23 13.083 -5.264 5.627 1.00 0.20 C ATOM 288 O ASP A 23 13.644 -5.659 4.607 1.00 0.22 O ATOM 289 CB ASP A 23 14.407 -5.523 7.721 1.00 0.29 C ATOM 290 CG ASP A 23 15.627 -4.989 8.437 1.00 0.59 C ATOM 291 OD1 ASP A 23 15.505 -4.579 9.608 1.00 1.06 O ATOM 292 OD2 ASP A 23 16.720 -4.981 7.833 1.00 0.61 O ATOM 0 H ASP A 23 12.876 -3.680 8.366 1.00 0.20 H new ATOM 0 HA ASP A 23 14.686 -3.998 6.260 1.00 0.22 H new ATOM 0 HB2 ASP A 23 13.636 -5.766 8.453 1.00 0.29 H new ATOM 0 HB3 ASP A 23 14.665 -6.451 7.210 1.00 0.29 H new ATOM 297 N LEU A 24 11.795 -5.441 5.863 1.00 0.20 N ATOM 298 CA LEU A 24 10.901 -5.970 4.853 1.00 0.21 C ATOM 299 C LEU A 24 10.711 -4.967 3.724 1.00 0.17 C ATOM 300 O LEU A 24 11.131 -5.209 2.597 1.00 0.18 O ATOM 301 CB LEU A 24 9.546 -6.318 5.463 1.00 0.26 C ATOM 302 CG LEU A 24 9.326 -7.799 5.763 1.00 0.35 C ATOM 303 CD1 LEU A 24 9.412 -8.613 4.482 1.00 1.03 C ATOM 304 CD2 LEU A 24 10.335 -8.293 6.787 1.00 1.11 C ATOM 0 H LEU A 24 11.344 -5.224 6.752 1.00 0.20 H new ATOM 0 HA LEU A 24 11.351 -6.876 4.449 1.00 0.21 H new ATOM 0 HB2 LEU A 24 9.428 -5.755 6.389 1.00 0.26 H new ATOM 0 HB3 LEU A 24 8.763 -5.982 4.783 1.00 0.26 H new ATOM 0 HG LEU A 24 8.329 -7.925 6.185 1.00 0.35 H new ATOM 0 HD11 LEU A 24 9.253 -9.667 4.709 1.00 1.03 H new ATOM 0 HD12 LEU A 24 8.647 -8.274 3.783 1.00 1.03 H new ATOM 0 HD13 LEU A 24 10.397 -8.483 4.034 1.00 1.03 H new ATOM 0 HD21 LEU A 24 10.162 -9.350 6.988 1.00 1.11 H new ATOM 0 HD22 LEU A 24 11.344 -8.158 6.398 1.00 1.11 H new ATOM 0 HD23 LEU A 24 10.223 -7.725 7.711 1.00 1.11 H new ATOM 316 N GLY A 25 10.110 -3.827 4.053 1.00 0.14 N ATOM 317 CA GLY A 25 9.759 -2.836 3.048 1.00 0.12 C ATOM 318 C GLY A 25 10.937 -2.391 2.206 1.00 0.12 C ATOM 319 O GLY A 25 10.818 -2.247 0.989 1.00 0.16 O ATOM 0 H GLY A 25 9.857 -3.569 5.007 1.00 0.14 H new ATOM 0 HA2 GLY A 25 8.990 -3.248 2.395 1.00 0.12 H new ATOM 0 HA3 GLY A 25 9.325 -1.966 3.542 1.00 0.12 H new ATOM 323 N THR A 26 12.079 -2.203 2.845 1.00 0.13 N ATOM 324 CA THR A 26 13.267 -1.741 2.154 1.00 0.16 C ATOM 325 C THR A 26 13.758 -2.806 1.186 1.00 0.20 C ATOM 326 O THR A 26 14.130 -2.503 0.057 1.00 0.24 O ATOM 327 CB THR A 26 14.391 -1.371 3.144 1.00 0.18 C ATOM 328 OG1 THR A 26 13.900 -0.449 4.125 1.00 0.20 O ATOM 329 CG2 THR A 26 15.570 -0.739 2.431 1.00 0.23 C ATOM 0 H THR A 26 12.207 -2.364 3.844 1.00 0.13 H new ATOM 0 HA THR A 26 12.999 -0.842 1.598 1.00 0.16 H new ATOM 0 HB THR A 26 14.720 -2.292 3.624 1.00 0.18 H new ATOM 0 HG1 THR A 26 13.322 0.213 3.691 1.00 0.20 H new ATOM 0 HG21 THR A 26 16.344 -0.490 3.157 1.00 0.23 H new ATOM 0 HG22 THR A 26 15.971 -1.440 1.699 1.00 0.23 H new ATOM 0 HG23 THR A 26 15.244 0.169 1.923 1.00 0.23 H new ATOM 337 N LEU A 27 13.718 -4.056 1.625 1.00 0.21 N ATOM 338 CA LEU A 27 14.102 -5.175 0.778 1.00 0.28 C ATOM 339 C LEU A 27 13.127 -5.285 -0.389 1.00 0.29 C ATOM 340 O LEU A 27 13.528 -5.511 -1.527 1.00 0.34 O ATOM 341 CB LEU A 27 14.121 -6.472 1.609 1.00 0.33 C ATOM 342 CG LEU A 27 14.785 -7.703 0.965 1.00 0.57 C ATOM 343 CD1 LEU A 27 13.900 -8.321 -0.106 1.00 1.01 C ATOM 344 CD2 LEU A 27 16.139 -7.338 0.380 1.00 1.00 C ATOM 0 H LEU A 27 13.423 -4.321 2.565 1.00 0.21 H new ATOM 0 HA LEU A 27 15.103 -5.012 0.378 1.00 0.28 H new ATOM 0 HB2 LEU A 27 14.631 -6.265 2.550 1.00 0.33 H new ATOM 0 HB3 LEU A 27 13.092 -6.732 1.855 1.00 0.33 H new ATOM 0 HG LEU A 27 14.928 -8.445 1.751 1.00 0.57 H new ATOM 0 HD11 LEU A 27 14.402 -9.187 -0.538 1.00 1.01 H new ATOM 0 HD12 LEU A 27 12.955 -8.634 0.339 1.00 1.01 H new ATOM 0 HD13 LEU A 27 13.708 -7.586 -0.888 1.00 1.01 H new ATOM 0 HD21 LEU A 27 16.591 -8.222 -0.070 1.00 1.00 H new ATOM 0 HD22 LEU A 27 16.011 -6.568 -0.381 1.00 1.00 H new ATOM 0 HD23 LEU A 27 16.788 -6.962 1.171 1.00 1.00 H new ATOM 356 N LEU A 28 11.849 -5.075 -0.102 1.00 0.27 N ATOM 357 CA LEU A 28 10.808 -5.252 -1.103 1.00 0.31 C ATOM 358 C LEU A 28 10.918 -4.194 -2.192 1.00 0.32 C ATOM 359 O LEU A 28 10.829 -4.510 -3.377 1.00 0.37 O ATOM 360 CB LEU A 28 9.413 -5.198 -0.463 1.00 0.31 C ATOM 361 CG LEU A 28 9.161 -6.179 0.693 1.00 0.31 C ATOM 362 CD1 LEU A 28 7.670 -6.303 0.969 1.00 0.34 C ATOM 363 CD2 LEU A 28 9.774 -7.538 0.402 1.00 0.37 C ATOM 0 H LEU A 28 11.510 -4.782 0.814 1.00 0.27 H new ATOM 0 HA LEU A 28 10.947 -6.235 -1.552 1.00 0.31 H new ATOM 0 HB2 LEU A 28 9.242 -4.186 -0.097 1.00 0.31 H new ATOM 0 HB3 LEU A 28 8.672 -5.385 -1.240 1.00 0.31 H new ATOM 0 HG LEU A 28 9.644 -5.783 1.586 1.00 0.31 H new ATOM 0 HD11 LEU A 28 7.509 -7.001 1.790 1.00 0.34 H new ATOM 0 HD12 LEU A 28 7.267 -5.327 1.239 1.00 0.34 H new ATOM 0 HD13 LEU A 28 7.164 -6.670 0.076 1.00 0.34 H new ATOM 0 HD21 LEU A 28 9.580 -8.211 1.237 1.00 0.37 H new ATOM 0 HD22 LEU A 28 9.333 -7.949 -0.506 1.00 0.37 H new ATOM 0 HD23 LEU A 28 10.850 -7.430 0.266 1.00 0.37 H new ATOM 375 N LEU A 29 11.127 -2.941 -1.801 1.00 0.30 N ATOM 376 CA LEU A 29 11.230 -1.873 -2.781 1.00 0.32 C ATOM 377 C LEU A 29 12.600 -1.879 -3.450 1.00 0.36 C ATOM 378 O LEU A 29 12.748 -1.409 -4.576 1.00 0.41 O ATOM 379 CB LEU A 29 10.896 -0.505 -2.156 1.00 0.30 C ATOM 380 CG LEU A 29 11.796 0.009 -1.022 1.00 0.29 C ATOM 381 CD1 LEU A 29 13.157 0.468 -1.532 1.00 0.31 C ATOM 382 CD2 LEU A 29 11.100 1.155 -0.317 1.00 0.31 C ATOM 0 H LEU A 29 11.226 -2.646 -0.830 1.00 0.30 H new ATOM 0 HA LEU A 29 10.489 -2.054 -3.559 1.00 0.32 H new ATOM 0 HB2 LEU A 29 10.907 0.238 -2.953 1.00 0.30 H new ATOM 0 HB3 LEU A 29 9.875 -0.551 -1.777 1.00 0.30 H new ATOM 0 HG LEU A 29 11.970 -0.815 -0.330 1.00 0.29 H new ATOM 0 HD11 LEU A 29 13.758 0.823 -0.695 1.00 0.31 H new ATOM 0 HD12 LEU A 29 13.665 -0.367 -2.016 1.00 0.31 H new ATOM 0 HD13 LEU A 29 13.023 1.276 -2.251 1.00 0.31 H new ATOM 0 HD21 LEU A 29 11.733 1.525 0.489 1.00 0.31 H new ATOM 0 HD22 LEU A 29 10.912 1.959 -1.028 1.00 0.31 H new ATOM 0 HD23 LEU A 29 10.153 0.807 0.096 1.00 0.31 H new ATOM 394 N ASP A 30 13.592 -2.419 -2.756 1.00 0.34 N ATOM 395 CA ASP A 30 14.911 -2.641 -3.343 1.00 0.39 C ATOM 396 C ASP A 30 14.795 -3.661 -4.455 1.00 0.43 C ATOM 397 O ASP A 30 15.432 -3.553 -5.502 1.00 0.49 O ATOM 398 CB ASP A 30 15.891 -3.156 -2.291 1.00 0.41 C ATOM 399 CG ASP A 30 17.255 -3.470 -2.869 1.00 0.54 C ATOM 400 OD1 ASP A 30 17.534 -4.657 -3.133 1.00 0.66 O ATOM 401 OD2 ASP A 30 18.057 -2.531 -3.058 1.00 0.63 O ATOM 0 H ASP A 30 13.510 -2.713 -1.783 1.00 0.34 H new ATOM 0 HA ASP A 30 15.283 -1.695 -3.735 1.00 0.39 H new ATOM 0 HB2 ASP A 30 15.997 -2.410 -1.503 1.00 0.41 H new ATOM 0 HB3 ASP A 30 15.482 -4.054 -1.827 1.00 0.41 H new ATOM 406 N GLU A 31 13.926 -4.625 -4.215 1.00 0.43 N ATOM 407 CA GLU A 31 13.659 -5.697 -5.147 1.00 0.49 C ATOM 408 C GLU A 31 12.814 -5.193 -6.306 1.00 0.51 C ATOM 409 O GLU A 31 12.649 -5.866 -7.321 1.00 0.62 O ATOM 410 CB GLU A 31 12.941 -6.817 -4.404 1.00 0.52 C ATOM 411 CG GLU A 31 13.879 -7.826 -3.764 1.00 0.97 C ATOM 412 CD GLU A 31 14.797 -8.475 -4.772 1.00 1.46 C ATOM 413 OE1 GLU A 31 14.352 -9.404 -5.481 1.00 1.76 O ATOM 414 OE2 GLU A 31 15.974 -8.071 -4.857 1.00 2.07 O ATOM 0 H GLU A 31 13.380 -4.683 -3.355 1.00 0.43 H new ATOM 0 HA GLU A 31 14.596 -6.073 -5.559 1.00 0.49 H new ATOM 0 HB2 GLU A 31 12.309 -6.381 -3.631 1.00 0.52 H new ATOM 0 HB3 GLU A 31 12.282 -7.337 -5.099 1.00 0.52 H new ATOM 0 HG2 GLU A 31 14.476 -7.329 -2.999 1.00 0.97 H new ATOM 0 HG3 GLU A 31 13.293 -8.595 -3.261 1.00 0.97 H new ATOM 421 N LEU A 32 12.282 -3.996 -6.134 1.00 0.52 N ATOM 422 CA LEU A 32 11.432 -3.376 -7.130 1.00 0.58 C ATOM 423 C LEU A 32 12.141 -2.212 -7.815 1.00 0.61 C ATOM 424 O LEU A 32 11.665 -1.682 -8.819 1.00 0.71 O ATOM 425 CB LEU A 32 10.147 -2.900 -6.462 1.00 0.56 C ATOM 426 CG LEU A 32 9.190 -4.011 -6.032 1.00 0.57 C ATOM 427 CD1 LEU A 32 8.027 -3.433 -5.248 1.00 0.57 C ATOM 428 CD2 LEU A 32 8.682 -4.786 -7.240 1.00 0.64 C ATOM 0 H LEU A 32 12.428 -3.428 -5.300 1.00 0.52 H new ATOM 0 HA LEU A 32 11.195 -4.112 -7.899 1.00 0.58 H new ATOM 0 HB2 LEU A 32 10.409 -2.308 -5.585 1.00 0.56 H new ATOM 0 HB3 LEU A 32 9.623 -2.236 -7.149 1.00 0.56 H new ATOM 0 HG LEU A 32 9.736 -4.701 -5.389 1.00 0.57 H new ATOM 0 HD11 LEU A 32 7.354 -4.237 -4.949 1.00 0.57 H new ATOM 0 HD12 LEU A 32 8.403 -2.926 -4.360 1.00 0.57 H new ATOM 0 HD13 LEU A 32 7.486 -2.721 -5.871 1.00 0.57 H new ATOM 0 HD21 LEU A 32 8.003 -5.571 -6.909 1.00 0.64 H new ATOM 0 HD22 LEU A 32 8.154 -4.109 -7.911 1.00 0.64 H new ATOM 0 HD23 LEU A 32 9.525 -5.234 -7.766 1.00 0.64 H new ATOM 440 N GLY A 33 13.292 -1.831 -7.269 1.00 0.57 N ATOM 441 CA GLY A 33 14.062 -0.735 -7.826 1.00 0.62 C ATOM 442 C GLY A 33 13.407 0.613 -7.592 1.00 0.63 C ATOM 443 O GLY A 33 13.492 1.504 -8.437 1.00 0.75 O ATOM 0 H GLY A 33 13.707 -2.266 -6.445 1.00 0.57 H new ATOM 0 HA2 GLY A 33 15.058 -0.733 -7.383 1.00 0.62 H new ATOM 0 HA3 GLY A 33 14.190 -0.892 -8.897 1.00 0.62 H new ATOM 447 N ILE A 34 12.756 0.769 -6.446 1.00 0.54 N ATOM 448 CA ILE A 34 12.056 2.008 -6.133 1.00 0.58 C ATOM 449 C ILE A 34 12.969 2.967 -5.382 1.00 0.65 C ATOM 450 O ILE A 34 13.629 2.579 -4.417 1.00 0.68 O ATOM 451 CB ILE A 34 10.797 1.758 -5.273 1.00 0.51 C ATOM 452 CG1 ILE A 34 9.922 0.670 -5.905 1.00 0.55 C ATOM 453 CG2 ILE A 34 10.003 3.048 -5.112 1.00 0.58 C ATOM 454 CD1 ILE A 34 8.739 0.282 -5.051 1.00 0.56 C ATOM 0 H ILE A 34 12.698 0.055 -5.720 1.00 0.54 H new ATOM 0 HA ILE A 34 11.753 2.444 -7.085 1.00 0.58 H new ATOM 0 HB ILE A 34 11.114 1.417 -4.287 1.00 0.51 H new ATOM 0 HG12 ILE A 34 9.563 1.019 -6.873 1.00 0.55 H new ATOM 0 HG13 ILE A 34 10.532 -0.214 -6.091 1.00 0.55 H new ATOM 0 HG21 ILE A 34 9.119 2.857 -4.504 1.00 0.58 H new ATOM 0 HG22 ILE A 34 10.624 3.799 -4.624 1.00 0.58 H new ATOM 0 HG23 ILE A 34 9.697 3.412 -6.093 1.00 0.58 H new ATOM 0 HD11 ILE A 34 8.163 -0.492 -5.558 1.00 0.56 H new ATOM 0 HD12 ILE A 34 9.091 -0.097 -4.092 1.00 0.56 H new ATOM 0 HD13 ILE A 34 8.108 1.155 -4.886 1.00 0.56 H new ATOM 466 N VAL A 35 13.018 4.210 -5.834 1.00 0.77 N ATOM 467 CA VAL A 35 13.747 5.244 -5.125 1.00 0.89 C ATOM 468 C VAL A 35 12.814 5.967 -4.152 1.00 0.74 C ATOM 469 O VAL A 35 11.860 6.637 -4.554 1.00 0.90 O ATOM 470 CB VAL A 35 14.423 6.254 -6.095 1.00 1.24 C ATOM 471 CG1 VAL A 35 13.421 6.859 -7.070 1.00 1.84 C ATOM 472 CG2 VAL A 35 15.142 7.348 -5.319 1.00 1.87 C ATOM 0 H VAL A 35 12.561 4.525 -6.689 1.00 0.77 H new ATOM 0 HA VAL A 35 14.546 4.761 -4.563 1.00 0.89 H new ATOM 0 HB VAL A 35 15.158 5.701 -6.680 1.00 1.24 H new ATOM 0 HG11 VAL A 35 13.933 7.559 -7.730 1.00 1.84 H new ATOM 0 HG12 VAL A 35 12.967 6.066 -7.664 1.00 1.84 H new ATOM 0 HG13 VAL A 35 12.645 7.386 -6.514 1.00 1.84 H new ATOM 0 HG21 VAL A 35 15.608 8.043 -6.017 1.00 1.87 H new ATOM 0 HG22 VAL A 35 14.425 7.884 -4.697 1.00 1.87 H new ATOM 0 HG23 VAL A 35 15.909 6.901 -4.686 1.00 1.87 H new ATOM 482 N LEU A 36 13.069 5.789 -2.866 1.00 0.70 N ATOM 483 CA LEU A 36 12.253 6.412 -1.834 1.00 0.66 C ATOM 484 C LEU A 36 12.674 7.855 -1.607 1.00 0.68 C ATOM 485 O LEU A 36 13.862 8.171 -1.534 1.00 0.84 O ATOM 486 CB LEU A 36 12.322 5.619 -0.513 1.00 0.86 C ATOM 487 CG LEU A 36 13.691 5.036 -0.147 1.00 1.90 C ATOM 488 CD1 LEU A 36 14.524 6.050 0.613 1.00 2.62 C ATOM 489 CD2 LEU A 36 13.528 3.755 0.652 1.00 2.76 C ATOM 0 H LEU A 36 13.835 5.218 -2.510 1.00 0.70 H new ATOM 0 HA LEU A 36 11.220 6.404 -2.182 1.00 0.66 H new ATOM 0 HB2 LEU A 36 12.000 6.273 0.297 1.00 0.86 H new ATOM 0 HB3 LEU A 36 11.604 4.801 -0.566 1.00 0.86 H new ATOM 0 HG LEU A 36 14.219 4.795 -1.070 1.00 1.90 H new ATOM 0 HD11 LEU A 36 15.491 5.613 0.862 1.00 2.62 H new ATOM 0 HD12 LEU A 36 14.674 6.935 -0.006 1.00 2.62 H new ATOM 0 HD13 LEU A 36 14.007 6.332 1.530 1.00 2.62 H new ATOM 0 HD21 LEU A 36 14.510 3.355 0.903 1.00 2.76 H new ATOM 0 HD22 LEU A 36 12.977 3.966 1.569 1.00 2.76 H new ATOM 0 HD23 LEU A 36 12.979 3.023 0.059 1.00 2.76 H new ATOM 501 N GLU A 37 11.687 8.731 -1.532 1.00 0.72 N ATOM 502 CA GLU A 37 11.916 10.123 -1.185 1.00 0.84 C ATOM 503 C GLU A 37 11.883 10.263 0.326 1.00 0.76 C ATOM 504 O GLU A 37 12.624 11.047 0.916 1.00 0.88 O ATOM 505 CB GLU A 37 10.847 11.013 -1.818 1.00 1.02 C ATOM 506 CG GLU A 37 10.878 11.026 -3.338 1.00 1.42 C ATOM 507 CD GLU A 37 12.123 11.689 -3.885 1.00 2.06 C ATOM 508 OE1 GLU A 37 12.125 12.930 -4.026 1.00 2.65 O ATOM 509 OE2 GLU A 37 13.103 10.978 -4.178 1.00 2.58 O ATOM 0 H GLU A 37 10.710 8.499 -1.709 1.00 0.72 H new ATOM 0 HA GLU A 37 12.889 10.437 -1.564 1.00 0.84 H new ATOM 0 HB2 GLU A 37 9.865 10.676 -1.487 1.00 1.02 H new ATOM 0 HB3 GLU A 37 10.974 12.032 -1.453 1.00 1.02 H new ATOM 0 HG2 GLU A 37 10.822 10.002 -3.708 1.00 1.42 H new ATOM 0 HG3 GLU A 37 9.998 11.548 -3.712 1.00 1.42 H new ATOM 516 N ASP A 38 11.015 9.473 0.938 1.00 0.61 N ATOM 517 CA ASP A 38 10.887 9.409 2.375 1.00 0.54 C ATOM 518 C ASP A 38 10.587 7.971 2.754 1.00 0.41 C ATOM 519 O ASP A 38 9.462 7.505 2.589 1.00 0.39 O ATOM 520 CB ASP A 38 9.769 10.331 2.876 1.00 0.60 C ATOM 521 CG ASP A 38 10.128 11.803 2.795 1.00 1.20 C ATOM 522 OD1 ASP A 38 10.757 12.327 3.742 1.00 1.20 O ATOM 523 OD2 ASP A 38 9.793 12.444 1.777 1.00 2.29 O ATOM 0 H ASP A 38 10.375 8.854 0.440 1.00 0.61 H new ATOM 0 HA ASP A 38 11.815 9.744 2.838 1.00 0.54 H new ATOM 0 HB2 ASP A 38 8.868 10.151 2.290 1.00 0.60 H new ATOM 0 HB3 ASP A 38 9.533 10.077 3.910 1.00 0.60 H new ATOM 528 N PRO A 39 11.590 7.237 3.248 1.00 0.41 N ATOM 529 CA PRO A 39 11.444 5.809 3.548 1.00 0.40 C ATOM 530 C PRO A 39 10.529 5.576 4.743 1.00 0.32 C ATOM 531 O PRO A 39 10.212 4.445 5.093 1.00 0.35 O ATOM 532 CB PRO A 39 12.870 5.366 3.878 1.00 0.57 C ATOM 533 CG PRO A 39 13.557 6.601 4.344 1.00 0.64 C ATOM 534 CD PRO A 39 12.937 7.737 3.575 1.00 0.57 C ATOM 0 HA PRO A 39 10.996 5.257 2.721 1.00 0.40 H new ATOM 0 HB2 PRO A 39 12.876 4.596 4.649 1.00 0.57 H new ATOM 0 HB3 PRO A 39 13.365 4.945 3.003 1.00 0.57 H new ATOM 0 HG2 PRO A 39 13.426 6.739 5.417 1.00 0.64 H new ATOM 0 HG3 PRO A 39 14.630 6.544 4.159 1.00 0.64 H new ATOM 0 HD2 PRO A 39 12.893 8.648 4.171 1.00 0.57 H new ATOM 0 HD3 PRO A 39 13.507 7.971 2.676 1.00 0.57 H new ATOM 542 N THR A 40 10.086 6.666 5.345 1.00 0.30 N ATOM 543 CA THR A 40 9.303 6.608 6.565 1.00 0.31 C ATOM 544 C THR A 40 7.816 6.420 6.278 1.00 0.28 C ATOM 545 O THR A 40 6.984 6.491 7.184 1.00 0.48 O ATOM 546 CB THR A 40 9.520 7.880 7.397 1.00 0.42 C ATOM 547 OG1 THR A 40 9.617 9.016 6.524 1.00 0.51 O ATOM 548 CG2 THR A 40 10.783 7.767 8.233 1.00 0.49 C ATOM 0 H THR A 40 10.258 7.611 5.003 1.00 0.30 H new ATOM 0 HA THR A 40 9.644 5.741 7.131 1.00 0.31 H new ATOM 0 HB THR A 40 8.671 8.005 8.069 1.00 0.42 H new ATOM 0 HG1 THR A 40 9.754 9.827 7.057 1.00 0.51 H new ATOM 0 HG21 THR A 40 10.917 8.679 8.814 1.00 0.49 H new ATOM 0 HG22 THR A 40 10.697 6.916 8.908 1.00 0.49 H new ATOM 0 HG23 THR A 40 11.642 7.625 7.577 1.00 0.49 H new ATOM 556 N VAL A 41 7.481 6.177 5.020 1.00 0.20 N ATOM 557 CA VAL A 41 6.100 5.931 4.638 1.00 0.17 C ATOM 558 C VAL A 41 5.801 4.438 4.667 1.00 0.14 C ATOM 559 O VAL A 41 6.710 3.608 4.604 1.00 0.15 O ATOM 560 CB VAL A 41 5.779 6.490 3.233 1.00 0.20 C ATOM 561 CG1 VAL A 41 6.065 7.981 3.176 1.00 0.24 C ATOM 562 CG2 VAL A 41 6.554 5.751 2.151 1.00 0.23 C ATOM 0 H VAL A 41 8.146 6.145 4.247 1.00 0.20 H new ATOM 0 HA VAL A 41 5.470 6.449 5.361 1.00 0.17 H new ATOM 0 HB VAL A 41 4.717 6.332 3.045 1.00 0.20 H new ATOM 0 HG11 VAL A 41 5.834 8.358 2.180 1.00 0.24 H new ATOM 0 HG12 VAL A 41 5.449 8.498 3.912 1.00 0.24 H new ATOM 0 HG13 VAL A 41 7.118 8.158 3.395 1.00 0.24 H new ATOM 0 HG21 VAL A 41 6.305 6.169 1.175 1.00 0.23 H new ATOM 0 HG22 VAL A 41 7.624 5.860 2.330 1.00 0.23 H new ATOM 0 HG23 VAL A 41 6.289 4.694 2.171 1.00 0.23 H new ATOM 572 N LEU A 42 4.529 4.103 4.779 1.00 0.14 N ATOM 573 CA LEU A 42 4.106 2.713 4.786 1.00 0.14 C ATOM 574 C LEU A 42 3.843 2.242 3.370 1.00 0.12 C ATOM 575 O LEU A 42 3.023 2.823 2.654 1.00 0.15 O ATOM 576 CB LEU A 42 2.847 2.534 5.640 1.00 0.16 C ATOM 577 CG LEU A 42 3.037 2.764 7.142 1.00 0.17 C ATOM 578 CD1 LEU A 42 1.704 2.675 7.867 1.00 0.20 C ATOM 579 CD2 LEU A 42 4.020 1.756 7.717 1.00 0.22 C ATOM 0 H LEU A 42 3.768 4.776 4.867 1.00 0.14 H new ATOM 0 HA LEU A 42 4.906 2.112 5.219 1.00 0.14 H new ATOM 0 HB2 LEU A 42 2.082 3.221 5.278 1.00 0.16 H new ATOM 0 HB3 LEU A 42 2.466 1.524 5.489 1.00 0.16 H new ATOM 0 HG LEU A 42 3.444 3.765 7.286 1.00 0.17 H new ATOM 0 HD11 LEU A 42 1.858 2.841 8.933 1.00 0.20 H new ATOM 0 HD12 LEU A 42 1.026 3.433 7.476 1.00 0.20 H new ATOM 0 HD13 LEU A 42 1.271 1.687 7.712 1.00 0.20 H new ATOM 0 HD21 LEU A 42 4.142 1.935 8.785 1.00 0.22 H new ATOM 0 HD22 LEU A 42 3.640 0.747 7.560 1.00 0.22 H new ATOM 0 HD23 LEU A 42 4.984 1.863 7.219 1.00 0.22 H new ATOM 591 N ILE A 43 4.548 1.204 2.960 1.00 0.11 N ATOM 592 CA ILE A 43 4.350 0.639 1.642 1.00 0.10 C ATOM 593 C ILE A 43 3.667 -0.714 1.742 1.00 0.11 C ATOM 594 O ILE A 43 3.875 -1.466 2.696 1.00 0.15 O ATOM 595 CB ILE A 43 5.664 0.507 0.838 1.00 0.11 C ATOM 596 CG1 ILE A 43 6.749 -0.206 1.645 1.00 0.11 C ATOM 597 CG2 ILE A 43 6.152 1.879 0.392 1.00 0.13 C ATOM 598 CD1 ILE A 43 7.965 -0.567 0.816 1.00 0.14 C ATOM 0 H ILE A 43 5.261 0.737 3.521 1.00 0.11 H new ATOM 0 HA ILE A 43 3.711 1.336 1.099 1.00 0.10 H new ATOM 0 HB ILE A 43 5.454 -0.099 -0.043 1.00 0.11 H new ATOM 0 HG12 ILE A 43 7.057 0.433 2.472 1.00 0.11 H new ATOM 0 HG13 ILE A 43 6.332 -1.113 2.082 1.00 0.11 H new ATOM 0 HG21 ILE A 43 7.078 1.770 -0.173 1.00 0.13 H new ATOM 0 HG22 ILE A 43 5.396 2.347 -0.238 1.00 0.13 H new ATOM 0 HG23 ILE A 43 6.332 2.503 1.267 1.00 0.13 H new ATOM 0 HD11 ILE A 43 8.698 -1.070 1.446 1.00 0.14 H new ATOM 0 HD12 ILE A 43 7.668 -1.231 0.004 1.00 0.14 H new ATOM 0 HD13 ILE A 43 8.405 0.340 0.401 1.00 0.14 H new ATOM 610 N GLY A 44 2.836 -1.008 0.767 1.00 0.13 N ATOM 611 CA GLY A 44 2.089 -2.238 0.785 1.00 0.16 C ATOM 612 C GLY A 44 2.441 -3.140 -0.373 1.00 0.17 C ATOM 613 O GLY A 44 2.691 -2.666 -1.475 1.00 0.31 O ATOM 0 H GLY A 44 2.663 -0.413 -0.043 1.00 0.13 H new ATOM 0 HA2 GLY A 44 2.279 -2.762 1.722 1.00 0.16 H new ATOM 0 HA3 GLY A 44 1.023 -2.013 0.756 1.00 0.16 H new ATOM 617 N ASP A 45 2.487 -4.435 -0.121 1.00 0.18 N ATOM 618 CA ASP A 45 2.652 -5.412 -1.188 1.00 0.20 C ATOM 619 C ASP A 45 1.319 -6.085 -1.426 1.00 0.20 C ATOM 620 O ASP A 45 0.507 -6.172 -0.508 1.00 0.29 O ATOM 621 CB ASP A 45 3.680 -6.481 -0.821 1.00 0.32 C ATOM 622 CG ASP A 45 4.182 -7.241 -2.035 1.00 0.30 C ATOM 623 OD1 ASP A 45 5.115 -6.757 -2.705 1.00 0.42 O ATOM 624 OD2 ASP A 45 3.649 -8.336 -2.320 1.00 0.57 O ATOM 0 H ASP A 45 2.413 -4.838 0.813 1.00 0.18 H new ATOM 0 HA ASP A 45 3.004 -4.894 -2.080 1.00 0.20 H new ATOM 0 HB2 ASP A 45 4.524 -6.012 -0.315 1.00 0.32 H new ATOM 0 HB3 ASP A 45 3.235 -7.182 -0.115 1.00 0.32 H new ATOM 629 N GLY A 46 1.084 -6.544 -2.641 1.00 0.18 N ATOM 630 CA GLY A 46 -0.135 -7.282 -2.922 1.00 0.21 C ATOM 631 C GLY A 46 -1.379 -6.454 -2.672 1.00 0.18 C ATOM 632 O GLY A 46 -2.341 -6.923 -2.067 1.00 0.18 O ATOM 0 H GLY A 46 1.709 -6.422 -3.438 1.00 0.18 H new ATOM 0 HA2 GLY A 46 -0.125 -7.614 -3.960 1.00 0.21 H new ATOM 0 HA3 GLY A 46 -0.166 -8.177 -2.301 1.00 0.21 H new ATOM 636 N CYS A 47 -1.350 -5.220 -3.129 1.00 0.17 N ATOM 637 CA CYS A 47 -2.396 -4.268 -2.825 1.00 0.15 C ATOM 638 C CYS A 47 -3.293 -4.047 -4.024 1.00 0.19 C ATOM 639 O CYS A 47 -2.852 -3.559 -5.067 1.00 0.25 O ATOM 640 CB CYS A 47 -1.777 -2.946 -2.396 1.00 0.15 C ATOM 641 SG CYS A 47 -2.639 -2.126 -1.021 1.00 0.12 S ATOM 0 H CYS A 47 -0.604 -4.850 -3.719 1.00 0.17 H new ATOM 0 HA CYS A 47 -3.002 -4.670 -2.013 1.00 0.15 H new ATOM 0 HB2 CYS A 47 -0.741 -3.121 -2.107 1.00 0.15 H new ATOM 0 HB3 CYS A 47 -1.760 -2.272 -3.252 1.00 0.15 H new ATOM 646 N ASP A 48 -4.543 -4.431 -3.879 1.00 0.19 N ATOM 647 CA ASP A 48 -5.532 -4.195 -4.915 1.00 0.24 C ATOM 648 C ASP A 48 -6.383 -2.997 -4.533 1.00 0.21 C ATOM 649 O ASP A 48 -6.891 -2.925 -3.412 1.00 0.19 O ATOM 650 CB ASP A 48 -6.430 -5.414 -5.125 1.00 0.30 C ATOM 651 CG ASP A 48 -5.649 -6.694 -5.340 1.00 1.50 C ATOM 652 OD1 ASP A 48 -5.060 -6.864 -6.429 1.00 2.21 O ATOM 653 OD2 ASP A 48 -5.623 -7.541 -4.419 1.00 2.02 O ATOM 0 H ASP A 48 -4.902 -4.909 -3.053 1.00 0.19 H new ATOM 0 HA ASP A 48 -5.005 -4.002 -5.850 1.00 0.24 H new ATOM 0 HB2 ASP A 48 -7.080 -5.533 -4.258 1.00 0.30 H new ATOM 0 HB3 ASP A 48 -7.075 -5.239 -5.986 1.00 0.30 H new ATOM 658 N PRO A 49 -6.534 -2.036 -5.448 1.00 0.26 N ATOM 659 CA PRO A 49 -7.360 -0.853 -5.222 1.00 0.28 C ATOM 660 C PRO A 49 -8.814 -1.232 -4.989 1.00 0.31 C ATOM 661 O PRO A 49 -9.438 -1.880 -5.832 1.00 0.37 O ATOM 662 CB PRO A 49 -7.219 -0.043 -6.515 1.00 0.35 C ATOM 663 CG PRO A 49 -6.055 -0.625 -7.241 1.00 0.44 C ATOM 664 CD PRO A 49 -5.921 -2.044 -6.778 1.00 0.34 C ATOM 0 HA PRO A 49 -7.048 -0.298 -4.338 1.00 0.28 H new ATOM 0 HB2 PRO A 49 -8.126 -0.108 -7.116 1.00 0.35 H new ATOM 0 HB3 PRO A 49 -7.055 1.013 -6.298 1.00 0.35 H new ATOM 0 HG2 PRO A 49 -6.212 -0.583 -8.319 1.00 0.44 H new ATOM 0 HG3 PRO A 49 -5.146 -0.062 -7.029 1.00 0.44 H new ATOM 0 HD2 PRO A 49 -6.432 -2.734 -7.450 1.00 0.34 H new ATOM 0 HD3 PRO A 49 -4.877 -2.354 -6.736 1.00 0.34 H new ATOM 672 N ILE A 50 -9.358 -0.838 -3.848 1.00 0.30 N ATOM 673 CA ILE A 50 -10.714 -1.222 -3.508 1.00 0.36 C ATOM 674 C ILE A 50 -11.700 -0.288 -4.188 1.00 0.43 C ATOM 675 O ILE A 50 -12.100 0.737 -3.639 1.00 0.46 O ATOM 676 CB ILE A 50 -10.964 -1.220 -1.987 1.00 0.36 C ATOM 677 CG1 ILE A 50 -9.792 -1.861 -1.252 1.00 0.29 C ATOM 678 CG2 ILE A 50 -12.238 -1.984 -1.678 1.00 0.44 C ATOM 679 CD1 ILE A 50 -9.978 -1.917 0.248 1.00 0.31 C ATOM 0 H ILE A 50 -8.887 -0.260 -3.152 1.00 0.30 H new ATOM 0 HA ILE A 50 -10.858 -2.243 -3.861 1.00 0.36 H new ATOM 0 HB ILE A 50 -11.066 -0.188 -1.651 1.00 0.36 H new ATOM 0 HG12 ILE A 50 -9.646 -2.873 -1.630 1.00 0.29 H new ATOM 0 HG13 ILE A 50 -8.883 -1.303 -1.477 1.00 0.29 H new ATOM 0 HG21 ILE A 50 -12.412 -1.981 -0.602 1.00 0.44 H new ATOM 0 HG22 ILE A 50 -13.079 -1.509 -2.183 1.00 0.44 H new ATOM 0 HG23 ILE A 50 -12.139 -3.012 -2.027 1.00 0.44 H new ATOM 0 HD11 ILE A 50 -9.106 -2.385 0.705 1.00 0.31 H new ATOM 0 HD12 ILE A 50 -10.094 -0.906 0.638 1.00 0.31 H new ATOM 0 HD13 ILE A 50 -10.868 -2.501 0.483 1.00 0.31 H new ATOM 691 N THR A 51 -12.070 -0.655 -5.396 1.00 0.54 N ATOM 692 CA THR A 51 -12.970 0.149 -6.203 1.00 0.64 C ATOM 693 C THR A 51 -14.169 -0.684 -6.648 1.00 0.79 C ATOM 694 O THR A 51 -14.980 -0.259 -7.470 1.00 0.88 O ATOM 695 CB THR A 51 -12.227 0.724 -7.435 1.00 0.66 C ATOM 696 OG1 THR A 51 -13.070 1.622 -8.167 1.00 0.78 O ATOM 697 CG2 THR A 51 -11.749 -0.392 -8.356 1.00 0.70 C ATOM 0 H THR A 51 -11.758 -1.515 -5.847 1.00 0.54 H new ATOM 0 HA THR A 51 -13.328 0.981 -5.597 1.00 0.64 H new ATOM 0 HB THR A 51 -11.360 1.272 -7.067 1.00 0.66 H new ATOM 0 HG1 THR A 51 -13.231 2.428 -7.633 1.00 0.78 H new ATOM 0 HG21 THR A 51 -11.231 0.040 -9.212 1.00 0.70 H new ATOM 0 HG22 THR A 51 -11.068 -1.046 -7.812 1.00 0.70 H new ATOM 0 HG23 THR A 51 -12.606 -0.969 -8.704 1.00 0.70 H new ATOM 705 N VAL A 52 -14.282 -1.869 -6.079 1.00 0.88 N ATOM 706 CA VAL A 52 -15.338 -2.794 -6.445 1.00 1.10 C ATOM 707 C VAL A 52 -16.575 -2.567 -5.582 1.00 1.38 C ATOM 708 O VAL A 52 -16.485 -2.468 -4.357 1.00 1.44 O ATOM 709 CB VAL A 52 -14.863 -4.260 -6.324 1.00 1.13 C ATOM 710 CG1 VAL A 52 -14.372 -4.568 -4.915 1.00 1.17 C ATOM 711 CG2 VAL A 52 -15.967 -5.221 -6.727 1.00 1.44 C ATOM 0 H VAL A 52 -13.651 -2.216 -5.357 1.00 0.88 H new ATOM 0 HA VAL A 52 -15.598 -2.606 -7.487 1.00 1.10 H new ATOM 0 HB VAL A 52 -14.025 -4.393 -7.008 1.00 1.13 H new ATOM 0 HG11 VAL A 52 -14.045 -5.606 -4.863 1.00 1.17 H new ATOM 0 HG12 VAL A 52 -13.537 -3.912 -4.669 1.00 1.17 H new ATOM 0 HG13 VAL A 52 -15.182 -4.406 -4.204 1.00 1.17 H new ATOM 0 HG21 VAL A 52 -15.609 -6.246 -6.634 1.00 1.44 H new ATOM 0 HG22 VAL A 52 -16.830 -5.077 -6.077 1.00 1.44 H new ATOM 0 HG23 VAL A 52 -16.256 -5.030 -7.761 1.00 1.44 H new ATOM 721 N ALA A 53 -17.724 -2.466 -6.228 1.00 1.71 N ATOM 722 CA ALA A 53 -18.973 -2.245 -5.520 1.00 2.11 C ATOM 723 C ALA A 53 -19.724 -3.556 -5.338 1.00 2.05 C ATOM 724 O ALA A 53 -19.848 -4.350 -6.275 1.00 2.54 O ATOM 725 CB ALA A 53 -19.835 -1.235 -6.263 1.00 2.94 C ATOM 0 H ALA A 53 -17.818 -2.534 -7.241 1.00 1.71 H new ATOM 0 HA ALA A 53 -18.742 -1.842 -4.534 1.00 2.11 H new ATOM 0 HB1 ALA A 53 -20.767 -1.082 -5.719 1.00 2.94 H new ATOM 0 HB2 ALA A 53 -19.300 -0.288 -6.341 1.00 2.94 H new ATOM 0 HB3 ALA A 53 -20.056 -1.611 -7.262 1.00 2.94 H new ATOM 731 N GLY A 54 -20.208 -3.787 -4.129 1.00 2.23 N ATOM 732 CA GLY A 54 -20.927 -5.008 -3.838 1.00 2.81 C ATOM 733 C GLY A 54 -20.047 -6.028 -3.150 1.00 2.91 C ATOM 734 O GLY A 54 -20.177 -7.231 -3.376 1.00 3.50 O ATOM 0 H GLY A 54 -20.115 -3.147 -3.340 1.00 2.23 H new ATOM 0 HA2 GLY A 54 -21.785 -4.782 -3.205 1.00 2.81 H new ATOM 0 HA3 GLY A 54 -21.317 -5.430 -4.764 1.00 2.81 H new ATOM 738 N SER A 55 -19.148 -5.545 -2.309 1.00 2.88 N ATOM 739 CA SER A 55 -18.216 -6.413 -1.620 1.00 3.27 C ATOM 740 C SER A 55 -18.069 -5.978 -0.166 1.00 2.84 C ATOM 741 O SER A 55 -17.461 -4.947 0.127 1.00 3.08 O ATOM 742 CB SER A 55 -16.859 -6.379 -2.326 1.00 4.15 C ATOM 743 OG SER A 55 -16.020 -7.437 -1.893 1.00 4.90 O ATOM 0 H SER A 55 -19.046 -4.554 -2.089 1.00 2.88 H new ATOM 0 HA SER A 55 -18.598 -7.434 -1.638 1.00 3.27 H new ATOM 0 HB2 SER A 55 -17.007 -6.449 -3.404 1.00 4.15 H new ATOM 0 HB3 SER A 55 -16.371 -5.424 -2.132 1.00 4.15 H new ATOM 0 HG SER A 55 -15.231 -7.486 -2.472 1.00 4.90 H new ATOM 749 N SER A 56 -18.650 -6.752 0.738 1.00 2.68 N ATOM 750 CA SER A 56 -18.529 -6.479 2.159 1.00 2.71 C ATOM 751 C SER A 56 -17.143 -6.888 2.645 1.00 2.12 C ATOM 752 O SER A 56 -16.534 -6.212 3.473 1.00 2.50 O ATOM 753 CB SER A 56 -19.619 -7.222 2.929 1.00 3.33 C ATOM 754 OG SER A 56 -20.898 -6.944 2.381 1.00 4.06 O ATOM 0 H SER A 56 -19.210 -7.574 0.511 1.00 2.68 H new ATOM 0 HA SER A 56 -18.656 -5.411 2.335 1.00 2.71 H new ATOM 0 HB2 SER A 56 -19.429 -8.295 2.895 1.00 3.33 H new ATOM 0 HB3 SER A 56 -19.595 -6.927 3.978 1.00 3.33 H new ATOM 0 HG SER A 56 -21.583 -7.430 2.886 1.00 4.06 H new ATOM 760 N ASP A 57 -16.642 -7.993 2.109 1.00 1.64 N ATOM 761 CA ASP A 57 -15.279 -8.419 2.364 1.00 1.50 C ATOM 762 C ASP A 57 -14.394 -7.973 1.212 1.00 1.07 C ATOM 763 O ASP A 57 -13.752 -8.785 0.544 1.00 1.44 O ATOM 764 CB ASP A 57 -15.201 -9.938 2.534 1.00 2.15 C ATOM 765 CG ASP A 57 -15.589 -10.400 3.924 1.00 2.62 C ATOM 766 OD1 ASP A 57 -16.754 -10.804 4.118 1.00 3.12 O ATOM 767 OD2 ASP A 57 -14.734 -10.351 4.835 1.00 3.13 O ATOM 0 H ASP A 57 -17.166 -8.612 1.491 1.00 1.64 H new ATOM 0 HA ASP A 57 -14.934 -7.962 3.291 1.00 1.50 H new ATOM 0 HB2 ASP A 57 -15.855 -10.414 1.803 1.00 2.15 H new ATOM 0 HB3 ASP A 57 -14.186 -10.271 2.317 1.00 2.15 H new ATOM 772 N ALA A 58 -14.376 -6.667 0.983 1.00 0.67 N ATOM 773 CA ALA A 58 -13.637 -6.085 -0.128 1.00 0.66 C ATOM 774 C ALA A 58 -12.138 -6.180 0.099 1.00 0.60 C ATOM 775 O ALA A 58 -11.338 -6.004 -0.820 1.00 0.83 O ATOM 776 CB ALA A 58 -14.059 -4.641 -0.337 1.00 0.99 C ATOM 0 H ALA A 58 -14.870 -5.985 1.558 1.00 0.67 H new ATOM 0 HA ALA A 58 -13.871 -6.653 -1.029 1.00 0.66 H new ATOM 0 HB1 ALA A 58 -13.500 -4.216 -1.170 1.00 0.99 H new ATOM 0 HB2 ALA A 58 -15.126 -4.602 -0.558 1.00 0.99 H new ATOM 0 HB3 ALA A 58 -13.855 -4.068 0.567 1.00 0.99 H new ATOM 782 N CYS A 59 -11.768 -6.463 1.330 1.00 0.45 N ATOM 783 CA CYS A 59 -10.378 -6.657 1.680 1.00 0.54 C ATOM 784 C CYS A 59 -10.218 -7.925 2.506 1.00 0.55 C ATOM 785 O CYS A 59 -10.958 -8.145 3.469 1.00 0.74 O ATOM 786 CB CYS A 59 -9.845 -5.456 2.456 1.00 0.73 C ATOM 787 SG CYS A 59 -8.073 -5.581 2.842 1.00 0.74 S ATOM 0 H CYS A 59 -12.417 -6.564 2.110 1.00 0.45 H new ATOM 0 HA CYS A 59 -9.802 -6.757 0.760 1.00 0.54 H new ATOM 0 HB2 CYS A 59 -10.021 -4.550 1.876 1.00 0.73 H new ATOM 0 HB3 CYS A 59 -10.406 -5.354 3.385 1.00 0.73 H new ATOM 792 N SER A 60 -9.263 -8.760 2.128 1.00 0.64 N ATOM 793 CA SER A 60 -9.053 -10.025 2.810 1.00 0.86 C ATOM 794 C SER A 60 -7.752 -10.008 3.617 1.00 0.71 C ATOM 795 O SER A 60 -7.593 -10.780 4.562 1.00 1.05 O ATOM 796 CB SER A 60 -9.043 -11.170 1.794 1.00 1.24 C ATOM 797 OG SER A 60 -9.054 -12.436 2.436 1.00 2.14 O ATOM 0 H SER A 60 -8.623 -8.584 1.354 1.00 0.64 H new ATOM 0 HA SER A 60 -9.874 -10.180 3.510 1.00 0.86 H new ATOM 0 HB2 SER A 60 -9.911 -11.085 1.140 1.00 1.24 H new ATOM 0 HB3 SER A 60 -8.159 -11.089 1.162 1.00 1.24 H new ATOM 0 HG SER A 60 -9.049 -13.146 1.760 1.00 2.14 H new ATOM 803 N ALA A 61 -6.824 -9.128 3.251 1.00 0.38 N ATOM 804 CA ALA A 61 -5.551 -9.051 3.957 1.00 0.32 C ATOM 805 C ALA A 61 -5.514 -7.853 4.908 1.00 0.32 C ATOM 806 O ALA A 61 -5.761 -8.005 6.106 1.00 0.54 O ATOM 807 CB ALA A 61 -4.385 -9.016 2.974 1.00 0.38 C ATOM 0 H ALA A 61 -6.928 -8.467 2.481 1.00 0.38 H new ATOM 0 HA ALA A 61 -5.450 -9.951 4.563 1.00 0.32 H new ATOM 0 HB1 ALA A 61 -3.446 -8.959 3.525 1.00 0.38 H new ATOM 0 HB2 ALA A 61 -4.394 -9.921 2.366 1.00 0.38 H new ATOM 0 HB3 ALA A 61 -4.480 -8.144 2.327 1.00 0.38 H new ATOM 813 N THR A 62 -5.216 -6.668 4.387 1.00 0.22 N ATOM 814 CA THR A 62 -5.149 -5.463 5.211 1.00 0.19 C ATOM 815 C THR A 62 -5.556 -4.230 4.403 1.00 0.18 C ATOM 816 O THR A 62 -5.026 -3.983 3.321 1.00 0.20 O ATOM 817 CB THR A 62 -3.726 -5.261 5.775 1.00 0.22 C ATOM 818 OG1 THR A 62 -3.268 -6.473 6.395 1.00 0.29 O ATOM 819 CG2 THR A 62 -3.698 -4.129 6.793 1.00 0.24 C ATOM 0 H THR A 62 -5.017 -6.514 3.399 1.00 0.22 H new ATOM 0 HA THR A 62 -5.845 -5.591 6.040 1.00 0.19 H new ATOM 0 HB THR A 62 -3.067 -5.000 4.947 1.00 0.22 H new ATOM 0 HG1 THR A 62 -2.364 -6.338 6.749 1.00 0.29 H new ATOM 0 HG21 THR A 62 -2.684 -4.008 7.175 1.00 0.24 H new ATOM 0 HG22 THR A 62 -4.019 -3.203 6.316 1.00 0.24 H new ATOM 0 HG23 THR A 62 -4.370 -4.365 7.618 1.00 0.24 H new ATOM 827 N ALA A 63 -6.500 -3.459 4.929 1.00 0.19 N ATOM 828 CA ALA A 63 -7.008 -2.291 4.224 1.00 0.20 C ATOM 829 C ALA A 63 -6.172 -1.060 4.540 1.00 0.17 C ATOM 830 O ALA A 63 -5.859 -0.786 5.700 1.00 0.19 O ATOM 831 CB ALA A 63 -8.468 -2.049 4.574 1.00 0.25 C ATOM 0 H ALA A 63 -6.928 -3.622 5.840 1.00 0.19 H new ATOM 0 HA ALA A 63 -6.937 -2.484 3.154 1.00 0.20 H new ATOM 0 HB1 ALA A 63 -8.830 -1.172 4.038 1.00 0.25 H new ATOM 0 HB2 ALA A 63 -9.060 -2.919 4.289 1.00 0.25 H new ATOM 0 HB3 ALA A 63 -8.562 -1.882 5.647 1.00 0.25 H new ATOM 837 N VAL A 64 -5.810 -0.323 3.504 1.00 0.14 N ATOM 838 CA VAL A 64 -4.984 0.865 3.653 1.00 0.13 C ATOM 839 C VAL A 64 -5.396 1.947 2.661 1.00 0.14 C ATOM 840 O VAL A 64 -6.203 1.710 1.761 1.00 0.21 O ATOM 841 CB VAL A 64 -3.493 0.543 3.445 1.00 0.15 C ATOM 842 CG1 VAL A 64 -2.894 -0.130 4.672 1.00 0.14 C ATOM 843 CG2 VAL A 64 -3.323 -0.337 2.222 1.00 0.19 C ATOM 0 H VAL A 64 -6.078 -0.528 2.541 1.00 0.14 H new ATOM 0 HA VAL A 64 -5.133 1.227 4.670 1.00 0.13 H new ATOM 0 HB VAL A 64 -2.959 1.481 3.290 1.00 0.15 H new ATOM 0 HG11 VAL A 64 -1.840 -0.344 4.492 1.00 0.14 H new ATOM 0 HG12 VAL A 64 -2.988 0.532 5.533 1.00 0.14 H new ATOM 0 HG13 VAL A 64 -3.424 -1.061 4.871 1.00 0.14 H new ATOM 0 HG21 VAL A 64 -2.266 -0.562 2.080 1.00 0.19 H new ATOM 0 HG22 VAL A 64 -3.876 -1.266 2.362 1.00 0.19 H new ATOM 0 HG23 VAL A 64 -3.705 0.183 1.344 1.00 0.19 H new ATOM 853 N CYS A 65 -4.845 3.135 2.837 1.00 0.17 N ATOM 854 CA CYS A 65 -5.123 4.255 1.954 1.00 0.17 C ATOM 855 C CYS A 65 -3.819 4.907 1.511 1.00 0.13 C ATOM 856 O CYS A 65 -3.088 5.451 2.337 1.00 0.14 O ATOM 857 CB CYS A 65 -5.996 5.284 2.670 1.00 0.23 C ATOM 858 SG CYS A 65 -6.381 6.751 1.660 1.00 0.39 S ATOM 0 H CYS A 65 -4.195 3.351 3.593 1.00 0.17 H new ATOM 0 HA CYS A 65 -5.654 3.886 1.077 1.00 0.17 H new ATOM 0 HB2 CYS A 65 -6.929 4.808 2.973 1.00 0.23 H new ATOM 0 HB3 CYS A 65 -5.491 5.604 3.581 1.00 0.23 H new ATOM 863 N CYS A 66 -3.530 4.853 0.219 1.00 0.12 N ATOM 864 CA CYS A 66 -2.274 5.384 -0.299 1.00 0.13 C ATOM 865 C CYS A 66 -2.458 6.742 -0.949 1.00 0.16 C ATOM 866 O CYS A 66 -3.531 7.084 -1.444 1.00 0.23 O ATOM 867 CB CYS A 66 -1.642 4.432 -1.308 1.00 0.19 C ATOM 868 SG CYS A 66 -0.578 3.147 -0.581 1.00 0.65 S ATOM 0 H CYS A 66 -4.144 4.449 -0.488 1.00 0.12 H new ATOM 0 HA CYS A 66 -1.611 5.493 0.559 1.00 0.13 H new ATOM 0 HB2 CYS A 66 -2.436 3.948 -1.876 1.00 0.19 H new ATOM 0 HB3 CYS A 66 -1.053 5.014 -2.016 1.00 0.19 H new ATOM 873 N SER A 67 -1.374 7.490 -0.963 1.00 0.24 N ATOM 874 CA SER A 67 -1.364 8.840 -1.501 1.00 0.29 C ATOM 875 C SER A 67 -0.711 8.869 -2.873 1.00 0.32 C ATOM 876 O SER A 67 -0.909 9.801 -3.652 1.00 0.41 O ATOM 877 CB SER A 67 -0.623 9.773 -0.549 1.00 0.35 C ATOM 878 OG SER A 67 -1.225 9.766 0.732 1.00 1.15 O ATOM 0 H SER A 67 -0.472 7.181 -0.601 1.00 0.24 H new ATOM 0 HA SER A 67 -2.395 9.178 -1.605 1.00 0.29 H new ATOM 0 HB2 SER A 67 0.419 9.464 -0.468 1.00 0.35 H new ATOM 0 HB3 SER A 67 -0.625 10.786 -0.951 1.00 0.35 H new ATOM 0 HG SER A 67 -2.164 10.035 0.654 1.00 1.15 H new ATOM 884 N ASP A 68 0.064 7.840 -3.160 1.00 0.30 N ATOM 885 CA ASP A 68 0.751 7.734 -4.436 1.00 0.37 C ATOM 886 C ASP A 68 0.069 6.679 -5.296 1.00 0.44 C ATOM 887 O ASP A 68 -0.404 5.665 -4.779 1.00 0.57 O ATOM 888 CB ASP A 68 2.222 7.374 -4.216 1.00 0.43 C ATOM 889 CG ASP A 68 3.046 7.480 -5.481 1.00 1.03 C ATOM 890 OD1 ASP A 68 3.088 6.495 -6.248 1.00 1.60 O ATOM 891 OD2 ASP A 68 3.645 8.543 -5.720 1.00 1.52 O ATOM 0 H ASP A 68 0.235 7.061 -2.524 1.00 0.30 H new ATOM 0 HA ASP A 68 0.706 8.695 -4.949 1.00 0.37 H new ATOM 0 HB2 ASP A 68 2.643 8.033 -3.457 1.00 0.43 H new ATOM 0 HB3 ASP A 68 2.289 6.358 -3.828 1.00 0.43 H new ATOM 896 N ASN A 69 -0.007 6.923 -6.595 1.00 0.53 N ATOM 897 CA ASN A 69 -0.702 6.010 -7.495 1.00 0.63 C ATOM 898 C ASN A 69 0.270 5.410 -8.511 1.00 0.59 C ATOM 899 O ASN A 69 -0.121 4.635 -9.383 1.00 0.64 O ATOM 900 CB ASN A 69 -1.839 6.744 -8.220 1.00 0.84 C ATOM 901 CG ASN A 69 -2.837 5.807 -8.888 1.00 1.67 C ATOM 902 OD1 ASN A 69 -3.278 6.054 -10.010 1.00 2.35 O ATOM 903 ND2 ASN A 69 -3.248 4.758 -8.187 1.00 2.49 N ATOM 0 H ASN A 69 0.401 7.740 -7.050 1.00 0.53 H new ATOM 0 HA ASN A 69 -1.126 5.199 -6.903 1.00 0.63 H new ATOM 0 HB2 ASN A 69 -2.367 7.375 -7.506 1.00 0.84 H new ATOM 0 HB3 ASN A 69 -1.412 7.405 -8.974 1.00 0.84 H new ATOM 0 HD21 ASN A 69 -3.950 4.128 -8.576 1.00 2.49 H new ATOM 0 HD22 ASN A 69 -2.862 4.582 -7.259 1.00 2.49 H new ATOM 910 N ASN A 70 1.544 5.751 -8.379 1.00 0.59 N ATOM 911 CA ASN A 70 2.565 5.249 -9.290 1.00 0.64 C ATOM 912 C ASN A 70 3.184 3.982 -8.724 1.00 0.55 C ATOM 913 O ASN A 70 4.390 3.902 -8.489 1.00 0.86 O ATOM 914 CB ASN A 70 3.644 6.308 -9.548 1.00 0.83 C ATOM 915 CG ASN A 70 3.143 7.474 -10.385 1.00 1.50 C ATOM 916 OD1 ASN A 70 3.601 8.606 -10.229 1.00 2.24 O ATOM 917 ND2 ASN A 70 2.208 7.209 -11.285 1.00 2.27 N ATOM 0 H ASN A 70 1.896 6.373 -7.651 1.00 0.59 H new ATOM 0 HA ASN A 70 2.093 5.018 -10.245 1.00 0.64 H new ATOM 0 HB2 ASN A 70 4.012 6.684 -8.593 1.00 0.83 H new ATOM 0 HB3 ASN A 70 4.490 5.842 -10.054 1.00 0.83 H new ATOM 0 HD21 ASN A 70 1.844 7.955 -11.877 1.00 2.27 H new ATOM 0 HD22 ASN A 70 1.852 6.258 -11.386 1.00 2.27 H new ATOM 924 N VAL A 71 2.334 2.995 -8.501 1.00 0.41 N ATOM 925 CA VAL A 71 2.743 1.726 -7.935 1.00 0.38 C ATOM 926 C VAL A 71 3.356 0.825 -9.007 1.00 0.33 C ATOM 927 O VAL A 71 3.193 1.070 -10.206 1.00 0.38 O ATOM 928 CB VAL A 71 1.535 1.028 -7.283 1.00 0.52 C ATOM 929 CG1 VAL A 71 0.963 1.893 -6.170 1.00 1.10 C ATOM 930 CG2 VAL A 71 0.463 0.718 -8.318 1.00 1.03 C ATOM 0 H VAL A 71 1.337 3.054 -8.709 1.00 0.41 H new ATOM 0 HA VAL A 71 3.500 1.915 -7.174 1.00 0.38 H new ATOM 0 HB VAL A 71 1.876 0.085 -6.855 1.00 0.52 H new ATOM 0 HG11 VAL A 71 0.110 1.387 -5.718 1.00 1.10 H new ATOM 0 HG12 VAL A 71 1.727 2.063 -5.412 1.00 1.10 H new ATOM 0 HG13 VAL A 71 0.641 2.850 -6.582 1.00 1.10 H new ATOM 0 HG21 VAL A 71 -0.380 0.225 -7.833 1.00 1.03 H new ATOM 0 HG22 VAL A 71 0.124 1.645 -8.780 1.00 1.03 H new ATOM 0 HG23 VAL A 71 0.876 0.061 -9.084 1.00 1.03 H new ATOM 940 N SER A 72 4.061 -0.214 -8.570 1.00 0.32 N ATOM 941 CA SER A 72 4.774 -1.109 -9.476 1.00 0.37 C ATOM 942 C SER A 72 3.812 -2.034 -10.213 1.00 0.42 C ATOM 943 O SER A 72 4.205 -2.750 -11.131 1.00 0.55 O ATOM 944 CB SER A 72 5.791 -1.943 -8.693 1.00 0.45 C ATOM 945 OG SER A 72 5.136 -2.825 -7.795 1.00 1.41 O ATOM 0 H SER A 72 4.154 -0.459 -7.584 1.00 0.32 H new ATOM 0 HA SER A 72 5.292 -0.497 -10.214 1.00 0.37 H new ATOM 0 HB2 SER A 72 6.409 -2.515 -9.385 1.00 0.45 H new ATOM 0 HB3 SER A 72 6.459 -1.284 -8.139 1.00 0.45 H new ATOM 0 HG SER A 72 5.701 -2.970 -7.008 1.00 1.41 H new ATOM 951 N GLY A 73 2.553 -2.001 -9.808 1.00 0.39 N ATOM 952 CA GLY A 73 1.558 -2.864 -10.404 1.00 0.48 C ATOM 953 C GLY A 73 0.783 -3.652 -9.379 1.00 0.41 C ATOM 954 O GLY A 73 -0.396 -3.937 -9.579 1.00 0.48 O ATOM 0 H GLY A 73 2.201 -1.388 -9.073 1.00 0.39 H new ATOM 0 HA2 GLY A 73 0.866 -2.262 -10.993 1.00 0.48 H new ATOM 0 HA3 GLY A 73 2.046 -3.553 -11.093 1.00 0.48 H new ATOM 958 N VAL A 74 1.425 -4.001 -8.273 1.00 0.31 N ATOM 959 CA VAL A 74 0.733 -4.727 -7.221 1.00 0.28 C ATOM 960 C VAL A 74 1.037 -4.160 -5.843 1.00 0.22 C ATOM 961 O VAL A 74 0.462 -4.593 -4.856 1.00 0.34 O ATOM 962 CB VAL A 74 1.072 -6.231 -7.226 1.00 0.37 C ATOM 963 CG1 VAL A 74 0.866 -6.821 -8.611 1.00 0.49 C ATOM 964 CG2 VAL A 74 2.485 -6.476 -6.729 1.00 0.38 C ATOM 0 H VAL A 74 2.406 -3.797 -8.083 1.00 0.31 H new ATOM 0 HA VAL A 74 -0.329 -4.605 -7.433 1.00 0.28 H new ATOM 0 HB VAL A 74 0.392 -6.734 -6.539 1.00 0.37 H new ATOM 0 HG11 VAL A 74 1.110 -7.883 -8.594 1.00 0.49 H new ATOM 0 HG12 VAL A 74 -0.174 -6.693 -8.910 1.00 0.49 H new ATOM 0 HG13 VAL A 74 1.514 -6.311 -9.324 1.00 0.49 H new ATOM 0 HG21 VAL A 74 2.696 -7.545 -6.744 1.00 0.38 H new ATOM 0 HG22 VAL A 74 3.193 -5.958 -7.376 1.00 0.38 H new ATOM 0 HG23 VAL A 74 2.582 -6.101 -5.710 1.00 0.38 H new ATOM 974 N ILE A 75 1.947 -3.208 -5.759 1.00 0.18 N ATOM 975 CA ILE A 75 2.272 -2.622 -4.467 1.00 0.17 C ATOM 976 C ILE A 75 1.461 -1.370 -4.208 1.00 0.16 C ATOM 977 O ILE A 75 0.589 -1.001 -4.994 1.00 0.20 O ATOM 978 CB ILE A 75 3.759 -2.260 -4.337 1.00 0.19 C ATOM 979 CG1 ILE A 75 4.151 -1.228 -5.382 1.00 0.20 C ATOM 980 CG2 ILE A 75 4.609 -3.498 -4.473 1.00 0.24 C ATOM 981 CD1 ILE A 75 5.452 -0.526 -5.081 1.00 0.30 C ATOM 0 H ILE A 75 2.466 -2.828 -6.551 1.00 0.18 H new ATOM 0 HA ILE A 75 2.029 -3.389 -3.732 1.00 0.17 H new ATOM 0 HB ILE A 75 3.927 -1.828 -3.351 1.00 0.19 H new ATOM 0 HG12 ILE A 75 4.228 -1.718 -6.353 1.00 0.20 H new ATOM 0 HG13 ILE A 75 3.357 -0.485 -5.462 1.00 0.20 H new ATOM 0 HG21 ILE A 75 5.661 -3.229 -4.379 1.00 0.24 H new ATOM 0 HG22 ILE A 75 4.345 -4.209 -3.690 1.00 0.24 H new ATOM 0 HG23 ILE A 75 4.436 -3.953 -5.449 1.00 0.24 H new ATOM 0 HD11 ILE A 75 5.667 0.195 -5.869 1.00 0.30 H new ATOM 0 HD12 ILE A 75 5.373 -0.007 -4.126 1.00 0.30 H new ATOM 0 HD13 ILE A 75 6.257 -1.259 -5.030 1.00 0.30 H new ATOM 993 N ALA A 76 1.758 -0.741 -3.088 1.00 0.15 N ATOM 994 CA ALA A 76 1.155 0.525 -2.709 1.00 0.16 C ATOM 995 C ALA A 76 2.181 1.386 -1.979 1.00 0.14 C ATOM 996 O ALA A 76 3.005 0.865 -1.228 1.00 0.15 O ATOM 997 CB ALA A 76 -0.059 0.276 -1.833 1.00 0.18 C ATOM 0 H ALA A 76 2.430 -1.096 -2.408 1.00 0.15 H new ATOM 0 HA ALA A 76 0.831 1.056 -3.604 1.00 0.16 H new ATOM 0 HB1 ALA A 76 -0.507 1.229 -1.552 1.00 0.18 H new ATOM 0 HB2 ALA A 76 -0.788 -0.319 -2.382 1.00 0.18 H new ATOM 0 HB3 ALA A 76 0.245 -0.261 -0.934 1.00 0.18 H new ATOM 1003 N ILE A 77 2.148 2.696 -2.204 1.00 0.15 N ATOM 1004 CA ILE A 77 3.131 3.595 -1.606 1.00 0.16 C ATOM 1005 C ILE A 77 2.460 4.736 -0.846 1.00 0.16 C ATOM 1006 O ILE A 77 1.587 5.426 -1.379 1.00 0.21 O ATOM 1007 CB ILE A 77 4.075 4.182 -2.679 1.00 0.19 C ATOM 1008 CG1 ILE A 77 4.745 3.053 -3.466 1.00 0.21 C ATOM 1009 CG2 ILE A 77 5.124 5.085 -2.037 1.00 0.24 C ATOM 1010 CD1 ILE A 77 5.604 3.538 -4.612 1.00 0.26 C ATOM 0 H ILE A 77 1.455 3.158 -2.793 1.00 0.15 H new ATOM 0 HA ILE A 77 3.714 3.001 -0.902 1.00 0.16 H new ATOM 0 HB ILE A 77 3.485 4.785 -3.369 1.00 0.19 H new ATOM 0 HG12 ILE A 77 5.360 2.464 -2.786 1.00 0.21 H new ATOM 0 HG13 ILE A 77 3.975 2.388 -3.857 1.00 0.21 H new ATOM 0 HG21 ILE A 77 5.779 5.488 -2.809 1.00 0.24 H new ATOM 0 HG22 ILE A 77 4.629 5.905 -1.517 1.00 0.24 H new ATOM 0 HG23 ILE A 77 5.715 4.508 -1.326 1.00 0.24 H new ATOM 0 HD11 ILE A 77 6.046 2.683 -5.123 1.00 0.26 H new ATOM 0 HD12 ILE A 77 4.990 4.102 -5.314 1.00 0.26 H new ATOM 0 HD13 ILE A 77 6.397 4.179 -4.227 1.00 0.26 H new ATOM 1022 N GLY A 78 2.877 4.922 0.403 1.00 0.16 N ATOM 1023 CA GLY A 78 2.332 5.984 1.224 1.00 0.17 C ATOM 1024 C GLY A 78 0.940 5.654 1.709 1.00 0.15 C ATOM 1025 O GLY A 78 0.005 6.427 1.511 1.00 0.17 O ATOM 0 H GLY A 78 3.587 4.351 0.862 1.00 0.16 H new ATOM 0 HA2 GLY A 78 2.985 6.155 2.080 1.00 0.17 H new ATOM 0 HA3 GLY A 78 2.308 6.911 0.652 1.00 0.17 H new ATOM 1029 N CYS A 79 0.806 4.497 2.336 1.00 0.13 N ATOM 1030 CA CYS A 79 -0.489 4.008 2.771 1.00 0.13 C ATOM 1031 C CYS A 79 -0.698 4.157 4.270 1.00 0.13 C ATOM 1032 O CYS A 79 0.224 3.986 5.062 1.00 0.18 O ATOM 1033 CB CYS A 79 -0.647 2.546 2.371 1.00 0.15 C ATOM 1034 SG CYS A 79 -1.680 2.303 0.893 1.00 0.65 S ATOM 0 H CYS A 79 1.585 3.876 2.556 1.00 0.13 H new ATOM 0 HA CYS A 79 -1.247 4.618 2.279 1.00 0.13 H new ATOM 0 HB2 CYS A 79 0.339 2.119 2.189 1.00 0.15 H new ATOM 0 HB3 CYS A 79 -1.084 1.995 3.204 1.00 0.15 H new ATOM 1039 N LEU A 80 -1.921 4.501 4.644 1.00 0.14 N ATOM 1040 CA LEU A 80 -2.328 4.527 6.040 1.00 0.15 C ATOM 1041 C LEU A 80 -3.336 3.416 6.304 1.00 0.15 C ATOM 1042 O LEU A 80 -4.255 3.213 5.513 1.00 0.15 O ATOM 1043 CB LEU A 80 -2.945 5.877 6.400 1.00 0.19 C ATOM 1044 CG LEU A 80 -2.019 7.084 6.238 1.00 0.23 C ATOM 1045 CD1 LEU A 80 -2.732 8.361 6.654 1.00 0.29 C ATOM 1046 CD2 LEU A 80 -0.748 6.894 7.051 1.00 0.26 C ATOM 0 H LEU A 80 -2.657 4.769 3.991 1.00 0.14 H new ATOM 0 HA LEU A 80 -1.444 4.373 6.659 1.00 0.15 H new ATOM 0 HB2 LEU A 80 -3.828 6.031 5.779 1.00 0.19 H new ATOM 0 HB3 LEU A 80 -3.286 5.838 7.435 1.00 0.19 H new ATOM 0 HG LEU A 80 -1.745 7.169 5.186 1.00 0.23 H new ATOM 0 HD11 LEU A 80 -2.059 9.210 6.532 1.00 0.29 H new ATOM 0 HD12 LEU A 80 -3.614 8.505 6.030 1.00 0.29 H new ATOM 0 HD13 LEU A 80 -3.035 8.285 7.698 1.00 0.29 H new ATOM 0 HD21 LEU A 80 -0.101 7.762 6.924 1.00 0.26 H new ATOM 0 HD22 LEU A 80 -1.003 6.783 8.105 1.00 0.26 H new ATOM 0 HD23 LEU A 80 -0.227 6.000 6.708 1.00 0.26 H new ATOM 1058 N PRO A 81 -3.164 2.676 7.406 1.00 0.15 N ATOM 1059 CA PRO A 81 -4.049 1.561 7.769 1.00 0.17 C ATOM 1060 C PRO A 81 -5.470 2.019 8.084 1.00 0.21 C ATOM 1061 O PRO A 81 -5.682 2.873 8.947 1.00 0.25 O ATOM 1062 CB PRO A 81 -3.399 0.964 9.024 1.00 0.21 C ATOM 1063 CG PRO A 81 -2.020 1.528 9.069 1.00 0.20 C ATOM 1064 CD PRO A 81 -2.092 2.864 8.392 1.00 0.17 C ATOM 0 HA PRO A 81 -4.149 0.852 6.947 1.00 0.17 H new ATOM 0 HB2 PRO A 81 -3.960 1.229 9.920 1.00 0.21 H new ATOM 0 HB3 PRO A 81 -3.376 -0.125 8.973 1.00 0.21 H new ATOM 0 HG2 PRO A 81 -1.675 1.631 10.098 1.00 0.20 H new ATOM 0 HG3 PRO A 81 -1.314 0.871 8.560 1.00 0.20 H new ATOM 0 HD2 PRO A 81 -2.327 3.662 9.097 1.00 0.17 H new ATOM 0 HD3 PRO A 81 -1.147 3.127 7.916 1.00 0.17 H new ATOM 1072 N VAL A 82 -6.436 1.450 7.377 1.00 0.23 N ATOM 1073 CA VAL A 82 -7.832 1.746 7.599 1.00 0.30 C ATOM 1074 C VAL A 82 -8.609 0.461 7.850 1.00 0.39 C ATOM 1075 O VAL A 82 -8.178 -0.626 7.468 1.00 0.42 O ATOM 1076 CB VAL A 82 -8.457 2.495 6.404 1.00 0.25 C ATOM 1077 CG1 VAL A 82 -8.025 3.953 6.390 1.00 0.33 C ATOM 1078 CG2 VAL A 82 -8.102 1.826 5.086 1.00 0.20 C ATOM 0 H VAL A 82 -6.267 0.771 6.635 1.00 0.23 H new ATOM 0 HA VAL A 82 -7.891 2.392 8.475 1.00 0.30 H new ATOM 0 HB VAL A 82 -9.540 2.456 6.523 1.00 0.25 H new ATOM 0 HG11 VAL A 82 -8.479 4.459 5.538 1.00 0.33 H new ATOM 0 HG12 VAL A 82 -8.346 4.437 7.313 1.00 0.33 H new ATOM 0 HG13 VAL A 82 -6.939 4.010 6.309 1.00 0.33 H new ATOM 0 HG21 VAL A 82 -8.557 2.378 4.264 1.00 0.20 H new ATOM 0 HG22 VAL A 82 -7.019 1.818 4.962 1.00 0.20 H new ATOM 0 HG23 VAL A 82 -8.475 0.802 5.086 1.00 0.20 H new ATOM 1088 N THR A 83 -9.746 0.588 8.498 1.00 0.53 N ATOM 1089 CA THR A 83 -10.582 -0.557 8.808 1.00 0.70 C ATOM 1090 C THR A 83 -11.859 -0.524 7.978 1.00 1.46 C ATOM 1091 O THR A 83 -12.524 0.510 7.908 1.00 2.07 O ATOM 1092 CB THR A 83 -10.940 -0.579 10.305 1.00 1.31 C ATOM 1093 OG1 THR A 83 -9.740 -0.520 11.087 1.00 1.98 O ATOM 1094 CG2 THR A 83 -11.729 -1.829 10.670 1.00 1.65 C ATOM 0 H THR A 83 -10.118 1.480 8.824 1.00 0.53 H new ATOM 0 HA THR A 83 -10.021 -1.460 8.565 1.00 0.70 H new ATOM 0 HB THR A 83 -11.565 0.289 10.517 1.00 1.31 H new ATOM 0 HG1 THR A 83 -9.969 -0.532 12.040 1.00 1.98 H new ATOM 0 HG21 THR A 83 -11.965 -1.812 11.734 1.00 1.65 H new ATOM 0 HG22 THR A 83 -12.654 -1.857 10.093 1.00 1.65 H new ATOM 0 HG23 THR A 83 -11.134 -2.714 10.444 1.00 1.65 H new ATOM 1102 N LEU A 84 -12.186 -1.661 7.367 1.00 1.87 N ATOM 1103 CA LEU A 84 -13.358 -1.795 6.510 1.00 2.80 C ATOM 1104 C LEU A 84 -13.446 -0.662 5.490 1.00 3.45 C ATOM 1105 O LEU A 84 -14.397 0.147 5.558 1.00 3.87 O ATOM 1106 CB LEU A 84 -14.620 -1.864 7.367 1.00 3.22 C ATOM 1107 CG LEU A 84 -14.978 -3.258 7.894 1.00 3.13 C ATOM 1108 CD1 LEU A 84 -13.860 -3.845 8.739 1.00 3.79 C ATOM 1109 CD2 LEU A 84 -16.258 -3.193 8.705 1.00 3.37 C ATOM 1110 OXT LEU A 84 -12.546 -0.579 4.627 1.00 3.91 O ATOM 0 H LEU A 84 -11.641 -2.519 7.454 1.00 1.87 H new ATOM 0 HA LEU A 84 -13.264 -2.722 5.945 1.00 2.80 H new ATOM 0 HB2 LEU A 84 -14.499 -1.192 8.217 1.00 3.22 H new ATOM 0 HB3 LEU A 84 -15.459 -1.489 6.781 1.00 3.22 H new ATOM 0 HG LEU A 84 -15.123 -3.910 7.033 1.00 3.13 H new ATOM 0 HD11 LEU A 84 -14.152 -4.833 9.094 1.00 3.79 H new ATOM 0 HD12 LEU A 84 -12.955 -3.929 8.138 1.00 3.79 H new ATOM 0 HD13 LEU A 84 -13.670 -3.195 9.593 1.00 3.79 H new ATOM 0 HD21 LEU A 84 -16.505 -4.188 9.076 1.00 3.37 H new ATOM 0 HD22 LEU A 84 -16.121 -2.516 9.548 1.00 3.37 H new ATOM 0 HD23 LEU A 84 -17.070 -2.829 8.075 1.00 3.37 H new TER 1122 LEU A 84