USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=15 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 10 SER OG : rot 168:sc= 0.388 USER MOD Set 1.2: A 12 GLN : amide:sc= -4.25! C(o=-3.9!,f=-8.2!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 120:sc= -0.347 USER MOD Single : A 5 GLN : amide:sc= -0.31 K(o=-0.31,f=-1.7) USER MOD Single : A 7 SER OG : rot 2:sc= 0.34 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.00848 USER MOD Single : A 15 GLN : amide:sc= -1.86! K(o=-1.9!,f=-0.31) USER MOD Single : A 16 ASN : amide:sc= -0.0569 X(o=-0.057,f=-0.56) USER MOD Single : A 22 SER OG : rot 180:sc=-0.00525 USER MOD Single : A 26 THR OG1 : rot -36:sc= 1.17 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0254 USER MOD Single : A 51 THR OG1 : rot 111:sc= 0.985 USER MOD Single : A 55 SER OG : rot 130:sc= 0.228 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 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.0552 X(o=-0.055,f=-0.17) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0.3) USER MOD Single : A 72 SER OG : rot 180:sc= -2.57! USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.171 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.772 -0.384 -0.135 1.00 5.63 N ATOM 2 CA GLY A 1 -21.414 -1.122 -1.368 1.00 4.92 C ATOM 3 C GLY A 1 -19.933 -1.422 -1.445 1.00 4.01 C ATOM 4 O GLY A 1 -19.446 -2.354 -0.808 1.00 4.29 O ATOM 0 H1 GLY A 1 -22.796 -0.200 -0.125 1.00 5.63 H new ATOM 0 H2 GLY A 1 -21.514 -0.952 0.697 1.00 5.63 H new ATOM 0 H3 GLY A 1 -21.258 0.520 -0.110 1.00 5.63 H new ATOM 0 HA2 GLY A 1 -21.975 -2.056 -1.406 1.00 4.92 H new ATOM 0 HA3 GLY A 1 -21.710 -0.537 -2.239 1.00 4.92 H new ATOM 10 N SER A 2 -19.214 -0.618 -2.210 1.00 3.39 N ATOM 11 CA SER A 2 -17.792 -0.826 -2.420 1.00 2.92 C ATOM 12 C SER A 2 -17.047 0.499 -2.268 1.00 2.13 C ATOM 13 O SER A 2 -17.624 1.482 -1.793 1.00 2.36 O ATOM 14 CB SER A 2 -17.557 -1.427 -3.811 1.00 3.61 C ATOM 15 OG SER A 2 -16.227 -1.892 -3.955 1.00 4.28 O ATOM 0 H SER A 2 -19.596 0.191 -2.699 1.00 3.39 H new ATOM 0 HA SER A 2 -17.411 -1.523 -1.673 1.00 2.92 H new ATOM 0 HB2 SER A 2 -18.252 -2.251 -3.975 1.00 3.61 H new ATOM 0 HB3 SER A 2 -17.766 -0.677 -4.573 1.00 3.61 H new ATOM 0 HG SER A 2 -16.235 -2.853 -4.145 1.00 4.28 H new ATOM 21 N TRP A 3 -15.775 0.517 -2.671 1.00 1.93 N ATOM 22 CA TRP A 3 -14.932 1.704 -2.558 1.00 1.69 C ATOM 23 C TRP A 3 -14.835 2.157 -1.098 1.00 1.84 C ATOM 24 O TRP A 3 -14.978 1.349 -0.176 1.00 2.71 O ATOM 25 CB TRP A 3 -15.481 2.839 -3.435 1.00 2.33 C ATOM 26 CG TRP A 3 -15.396 2.560 -4.903 1.00 2.76 C ATOM 27 CD1 TRP A 3 -16.380 2.063 -5.707 1.00 3.47 C ATOM 28 CD2 TRP A 3 -14.258 2.766 -5.738 1.00 3.17 C ATOM 29 NE1 TRP A 3 -15.920 1.954 -6.997 1.00 4.11 N ATOM 30 CE2 TRP A 3 -14.618 2.377 -7.041 1.00 3.90 C ATOM 31 CE3 TRP A 3 -12.968 3.244 -5.509 1.00 3.49 C ATOM 32 CZ2 TRP A 3 -13.730 2.453 -8.109 1.00 4.62 C ATOM 33 CZ3 TRP A 3 -12.087 3.318 -6.570 1.00 4.30 C ATOM 34 CH2 TRP A 3 -12.473 2.925 -7.858 1.00 4.74 C ATOM 0 H TRP A 3 -15.304 -0.288 -3.083 1.00 1.93 H new ATOM 0 HA TRP A 3 -13.932 1.449 -2.908 1.00 1.69 H new ATOM 0 HB2 TRP A 3 -16.522 3.021 -3.168 1.00 2.33 H new ATOM 0 HB3 TRP A 3 -14.931 3.754 -3.216 1.00 2.33 H new ATOM 0 HD1 TRP A 3 -17.373 1.795 -5.378 1.00 3.47 H new ATOM 0 HE1 TRP A 3 -16.460 1.614 -7.792 1.00 4.11 H new ATOM 0 HE3 TRP A 3 -12.663 3.551 -4.519 1.00 3.49 H new ATOM 0 HZ2 TRP A 3 -14.024 2.149 -9.103 1.00 4.62 H new ATOM 0 HZ3 TRP A 3 -11.085 3.685 -6.404 1.00 4.30 H new ATOM 0 HH2 TRP A 3 -11.763 2.997 -8.668 1.00 4.74 H new ATOM 45 N GLY A 4 -14.579 3.440 -0.894 1.00 1.61 N ATOM 46 CA GLY A 4 -14.511 3.979 0.445 1.00 2.03 C ATOM 47 C GLY A 4 -14.194 5.456 0.433 1.00 1.82 C ATOM 48 O GLY A 4 -13.674 5.977 -0.557 1.00 1.87 O ATOM 0 H GLY A 4 -14.417 4.120 -1.637 1.00 1.61 H new ATOM 0 HA2 GLY A 4 -15.461 3.814 0.953 1.00 2.03 H new ATOM 0 HA3 GLY A 4 -13.749 3.447 1.014 1.00 2.03 H new ATOM 52 N GLN A 5 -14.514 6.136 1.520 1.00 1.92 N ATOM 53 CA GLN A 5 -14.235 7.555 1.643 1.00 1.96 C ATOM 54 C GLN A 5 -13.093 7.766 2.630 1.00 1.53 C ATOM 55 O GLN A 5 -13.260 7.571 3.835 1.00 1.64 O ATOM 56 CB GLN A 5 -15.480 8.327 2.104 1.00 2.55 C ATOM 57 CG GLN A 5 -16.658 8.284 1.133 1.00 3.13 C ATOM 58 CD GLN A 5 -17.476 7.007 1.229 1.00 3.34 C ATOM 59 OE1 GLN A 5 -17.212 6.026 0.534 1.00 3.26 O ATOM 60 NE2 GLN A 5 -18.483 7.012 2.087 1.00 4.17 N ATOM 0 H GLN A 5 -14.970 5.725 2.334 1.00 1.92 H new ATOM 0 HA GLN A 5 -13.947 7.937 0.664 1.00 1.96 H new ATOM 0 HB2 GLN A 5 -15.804 7.925 3.064 1.00 2.55 H new ATOM 0 HB3 GLN A 5 -15.203 9.368 2.271 1.00 2.55 H new ATOM 0 HG2 GLN A 5 -17.308 9.138 1.325 1.00 3.13 H new ATOM 0 HG3 GLN A 5 -16.284 8.391 0.115 1.00 3.13 H new ATOM 0 HE21 GLN A 5 -18.672 7.844 2.647 1.00 4.17 H new ATOM 0 HE22 GLN A 5 -19.070 6.184 2.189 1.00 4.17 H new ATOM 69 N CYS A 6 -11.940 8.159 2.116 1.00 1.29 N ATOM 70 CA CYS A 6 -10.750 8.314 2.938 1.00 0.94 C ATOM 71 C CYS A 6 -10.086 9.667 2.695 1.00 0.96 C ATOM 72 O CYS A 6 -10.162 10.567 3.532 1.00 1.88 O ATOM 73 CB CYS A 6 -9.761 7.180 2.645 1.00 0.81 C ATOM 74 SG CYS A 6 -8.148 7.346 3.475 1.00 0.61 S ATOM 0 H CYS A 6 -11.802 8.378 1.129 1.00 1.29 H new ATOM 0 HA CYS A 6 -11.050 8.268 3.985 1.00 0.94 H new ATOM 0 HB2 CYS A 6 -10.213 6.235 2.945 1.00 0.81 H new ATOM 0 HB3 CYS A 6 -9.597 7.128 1.569 1.00 0.81 H new ATOM 79 N SER A 7 -9.442 9.810 1.545 1.00 0.91 N ATOM 80 CA SER A 7 -8.727 11.030 1.203 1.00 0.99 C ATOM 81 C SER A 7 -8.584 11.133 -0.314 1.00 1.25 C ATOM 82 O SER A 7 -9.126 10.304 -1.047 1.00 1.82 O ATOM 83 CB SER A 7 -7.354 11.048 1.890 1.00 1.55 C ATOM 84 OG SER A 7 -7.493 11.069 3.303 1.00 2.40 O ATOM 0 H SER A 7 -9.401 9.087 0.827 1.00 0.91 H new ATOM 0 HA SER A 7 -9.291 11.893 1.556 1.00 0.99 H new ATOM 0 HB2 SER A 7 -6.782 10.170 1.590 1.00 1.55 H new ATOM 0 HB3 SER A 7 -6.791 11.922 1.563 1.00 1.55 H new ATOM 0 HG SER A 7 -8.444 11.044 3.539 1.00 2.40 H new ATOM 90 N THR A 8 -7.854 12.140 -0.782 1.00 1.48 N ATOM 91 CA THR A 8 -7.738 12.414 -2.212 1.00 2.09 C ATOM 92 C THR A 8 -6.704 11.518 -2.897 1.00 1.70 C ATOM 93 O THR A 8 -6.308 11.771 -4.039 1.00 2.23 O ATOM 94 CB THR A 8 -7.359 13.885 -2.444 1.00 2.93 C ATOM 95 OG1 THR A 8 -6.228 14.226 -1.631 1.00 3.15 O ATOM 96 CG2 THR A 8 -8.524 14.805 -2.115 1.00 3.75 C ATOM 0 H THR A 8 -7.331 12.784 -0.189 1.00 1.48 H new ATOM 0 HA THR A 8 -8.712 12.201 -2.652 1.00 2.09 H new ATOM 0 HB THR A 8 -7.106 14.014 -3.496 1.00 2.93 H new ATOM 0 HG1 THR A 8 -5.987 15.164 -1.782 1.00 3.15 H new ATOM 0 HG21 THR A 8 -8.230 15.840 -2.287 1.00 3.75 H new ATOM 0 HG22 THR A 8 -9.374 14.558 -2.752 1.00 3.75 H new ATOM 0 HG23 THR A 8 -8.805 14.677 -1.070 1.00 3.75 H new ATOM 104 N GLY A 9 -6.273 10.476 -2.204 1.00 0.97 N ATOM 105 CA GLY A 9 -5.303 9.563 -2.763 1.00 0.72 C ATOM 106 C GLY A 9 -5.961 8.359 -3.397 1.00 0.71 C ATOM 107 O GLY A 9 -6.614 8.474 -4.434 1.00 1.12 O ATOM 0 H GLY A 9 -6.581 10.247 -1.259 1.00 0.97 H new ATOM 0 HA2 GLY A 9 -4.703 10.083 -3.509 1.00 0.72 H new ATOM 0 HA3 GLY A 9 -4.621 9.233 -1.979 1.00 0.72 H new ATOM 111 N SER A 10 -5.790 7.208 -2.779 1.00 0.38 N ATOM 112 CA SER A 10 -6.359 5.975 -3.287 1.00 0.39 C ATOM 113 C SER A 10 -6.644 5.014 -2.135 1.00 0.28 C ATOM 114 O SER A 10 -5.980 5.065 -1.101 1.00 0.29 O ATOM 115 CB SER A 10 -5.387 5.340 -4.290 1.00 0.52 C ATOM 116 OG SER A 10 -5.984 4.261 -4.994 1.00 0.96 O ATOM 0 H SER A 10 -5.257 7.100 -1.916 1.00 0.38 H new ATOM 0 HA SER A 10 -7.300 6.191 -3.793 1.00 0.39 H new ATOM 0 HB2 SER A 10 -5.052 6.096 -5.000 1.00 0.52 H new ATOM 0 HB3 SER A 10 -4.502 4.984 -3.763 1.00 0.52 H new ATOM 0 HG SER A 10 -5.413 4.008 -5.749 1.00 0.96 H new ATOM 122 N ILE A 11 -7.654 4.167 -2.294 1.00 0.32 N ATOM 123 CA ILE A 11 -7.920 3.119 -1.323 1.00 0.27 C ATOM 124 C ILE A 11 -7.646 1.750 -1.918 1.00 0.20 C ATOM 125 O ILE A 11 -8.026 1.453 -3.056 1.00 0.26 O ATOM 126 CB ILE A 11 -9.363 3.172 -0.793 1.00 0.39 C ATOM 127 CG1 ILE A 11 -9.584 4.493 -0.076 1.00 0.50 C ATOM 128 CG2 ILE A 11 -9.647 2.002 0.143 1.00 0.40 C ATOM 129 CD1 ILE A 11 -10.909 4.574 0.644 1.00 0.96 C ATOM 0 H ILE A 11 -8.299 4.187 -3.084 1.00 0.32 H new ATOM 0 HA ILE A 11 -7.246 3.291 -0.484 1.00 0.27 H new ATOM 0 HB ILE A 11 -10.052 3.095 -1.634 1.00 0.39 H new ATOM 0 HG12 ILE A 11 -8.779 4.646 0.643 1.00 0.50 H new ATOM 0 HG13 ILE A 11 -9.523 5.305 -0.801 1.00 0.50 H new ATOM 0 HG21 ILE A 11 -10.674 2.065 0.503 1.00 0.40 H new ATOM 0 HG22 ILE A 11 -9.507 1.064 -0.394 1.00 0.40 H new ATOM 0 HG23 ILE A 11 -8.963 2.040 0.991 1.00 0.40 H new ATOM 0 HD11 ILE A 11 -10.999 5.544 1.133 1.00 0.96 H new ATOM 0 HD12 ILE A 11 -11.721 4.453 -0.073 1.00 0.96 H new ATOM 0 HD13 ILE A 11 -10.965 3.784 1.393 1.00 0.96 H new ATOM 141 N GLN A 12 -6.986 0.925 -1.133 1.00 0.13 N ATOM 142 CA GLN A 12 -6.588 -0.404 -1.567 1.00 0.10 C ATOM 143 C GLN A 12 -6.444 -1.342 -0.378 1.00 0.11 C ATOM 144 O GLN A 12 -6.507 -0.920 0.777 1.00 0.17 O ATOM 145 CB GLN A 12 -5.275 -0.364 -2.363 1.00 0.12 C ATOM 146 CG GLN A 12 -4.263 0.647 -1.850 1.00 0.22 C ATOM 147 CD GLN A 12 -4.368 2.000 -2.528 1.00 0.39 C ATOM 148 OE1 GLN A 12 -4.191 3.031 -1.890 1.00 0.91 O ATOM 149 NE2 GLN A 12 -4.595 2.009 -3.835 1.00 0.35 N ATOM 0 H GLN A 12 -6.709 1.153 -0.178 1.00 0.13 H new ATOM 0 HA GLN A 12 -7.374 -0.781 -2.221 1.00 0.10 H new ATOM 0 HB2 GLN A 12 -4.822 -1.355 -2.344 1.00 0.12 H new ATOM 0 HB3 GLN A 12 -5.502 -0.137 -3.405 1.00 0.12 H new ATOM 0 HG2 GLN A 12 -4.400 0.775 -0.776 1.00 0.22 H new ATOM 0 HG3 GLN A 12 -3.258 0.252 -1.998 1.00 0.22 H new ATOM 0 HE21 GLN A 12 -4.738 1.131 -4.334 1.00 0.35 H new ATOM 0 HE22 GLN A 12 -4.627 2.894 -4.341 1.00 0.35 H new ATOM 158 N CYS A 13 -6.282 -2.616 -0.678 1.00 0.12 N ATOM 159 CA CYS A 13 -6.085 -3.632 0.332 1.00 0.16 C ATOM 160 C CYS A 13 -4.733 -4.296 0.130 1.00 0.13 C ATOM 161 O CYS A 13 -4.532 -5.047 -0.826 1.00 0.15 O ATOM 162 CB CYS A 13 -7.203 -4.667 0.262 1.00 0.25 C ATOM 163 SG CYS A 13 -7.103 -5.931 1.567 1.00 0.34 S ATOM 0 H CYS A 13 -6.284 -2.975 -1.633 1.00 0.12 H new ATOM 0 HA CYS A 13 -6.108 -3.168 1.318 1.00 0.16 H new ATOM 0 HB2 CYS A 13 -8.164 -4.158 0.333 1.00 0.25 H new ATOM 0 HB3 CYS A 13 -7.173 -5.157 -0.711 1.00 0.25 H new ATOM 168 N CYS A 14 -3.807 -4.008 1.028 1.00 0.12 N ATOM 169 CA CYS A 14 -2.432 -4.446 0.875 1.00 0.12 C ATOM 170 C CYS A 14 -2.205 -5.800 1.510 1.00 0.15 C ATOM 171 O CYS A 14 -2.559 -6.032 2.667 1.00 0.19 O ATOM 172 CB CYS A 14 -1.471 -3.433 1.482 1.00 0.14 C ATOM 173 SG CYS A 14 -1.255 -1.901 0.513 1.00 0.13 S ATOM 0 H CYS A 14 -3.985 -3.469 1.876 1.00 0.12 H new ATOM 0 HA CYS A 14 -2.240 -4.529 -0.195 1.00 0.12 H new ATOM 0 HB2 CYS A 14 -1.826 -3.168 2.478 1.00 0.14 H new ATOM 0 HB3 CYS A 14 -0.497 -3.907 1.606 1.00 0.14 H new ATOM 178 N GLN A 15 -1.608 -6.686 0.734 1.00 0.15 N ATOM 179 CA GLN A 15 -1.272 -8.014 1.192 1.00 0.16 C ATOM 180 C GLN A 15 -0.044 -7.964 2.112 1.00 0.18 C ATOM 181 O GLN A 15 0.118 -8.801 2.998 1.00 0.23 O ATOM 182 CB GLN A 15 -1.084 -8.912 -0.042 1.00 0.17 C ATOM 183 CG GLN A 15 0.185 -9.744 -0.084 1.00 0.23 C ATOM 184 CD GLN A 15 0.155 -10.927 0.868 1.00 0.31 C ATOM 185 OE1 GLN A 15 1.192 -11.363 1.365 1.00 0.38 O ATOM 186 NE2 GLN A 15 -1.032 -11.465 1.114 1.00 0.33 N ATOM 0 H GLN A 15 -1.343 -6.501 -0.233 1.00 0.15 H new ATOM 0 HA GLN A 15 -2.072 -8.441 1.796 1.00 0.16 H new ATOM 0 HB2 GLN A 15 -1.937 -9.587 -0.107 1.00 0.17 H new ATOM 0 HB3 GLN A 15 -1.109 -8.281 -0.931 1.00 0.17 H new ATOM 0 HG2 GLN A 15 0.341 -10.107 -1.100 1.00 0.23 H new ATOM 0 HG3 GLN A 15 1.036 -9.109 0.162 1.00 0.23 H new ATOM 0 HE21 GLN A 15 -1.869 -11.073 0.682 1.00 0.33 H new ATOM 0 HE22 GLN A 15 -1.108 -12.270 1.735 1.00 0.33 H new ATOM 195 N ASN A 16 0.799 -6.956 1.919 1.00 0.17 N ATOM 196 CA ASN A 16 1.950 -6.739 2.794 1.00 0.21 C ATOM 197 C ASN A 16 2.087 -5.267 3.152 1.00 0.21 C ATOM 198 O ASN A 16 2.618 -4.484 2.369 1.00 0.40 O ATOM 199 CB ASN A 16 3.241 -7.176 2.121 1.00 0.29 C ATOM 200 CG ASN A 16 4.064 -8.122 2.967 1.00 0.62 C ATOM 201 OD1 ASN A 16 4.054 -8.055 4.196 1.00 1.03 O ATOM 202 ND2 ASN A 16 4.789 -9.009 2.307 1.00 0.75 N ATOM 0 H ASN A 16 0.709 -6.275 1.165 1.00 0.17 H new ATOM 0 HA ASN A 16 1.780 -7.332 3.693 1.00 0.21 H new ATOM 0 HB2 ASN A 16 3.003 -7.660 1.173 1.00 0.29 H new ATOM 0 HB3 ASN A 16 3.838 -6.294 1.888 1.00 0.29 H new ATOM 0 HD21 ASN A 16 5.370 -9.674 2.817 1.00 0.75 H new ATOM 0 HD22 ASN A 16 4.767 -9.029 1.287 1.00 0.75 H new ATOM 209 N VAL A 17 1.617 -4.893 4.322 1.00 0.16 N ATOM 210 CA VAL A 17 1.752 -3.516 4.784 1.00 0.13 C ATOM 211 C VAL A 17 3.018 -3.366 5.611 1.00 0.14 C ATOM 212 O VAL A 17 3.062 -3.753 6.780 1.00 0.18 O ATOM 213 CB VAL A 17 0.535 -3.050 5.609 1.00 0.14 C ATOM 214 CG1 VAL A 17 0.720 -1.609 6.067 1.00 0.17 C ATOM 215 CG2 VAL A 17 -0.735 -3.186 4.794 1.00 0.14 C ATOM 0 H VAL A 17 1.139 -5.515 4.973 1.00 0.16 H new ATOM 0 HA VAL A 17 1.808 -2.884 3.897 1.00 0.13 H new ATOM 0 HB VAL A 17 0.452 -3.684 6.492 1.00 0.14 H new ATOM 0 HG11 VAL A 17 -0.148 -1.297 6.648 1.00 0.17 H new ATOM 0 HG12 VAL A 17 1.615 -1.536 6.685 1.00 0.17 H new ATOM 0 HG13 VAL A 17 0.826 -0.961 5.197 1.00 0.17 H new ATOM 0 HG21 VAL A 17 -1.586 -2.854 5.388 1.00 0.14 H new ATOM 0 HG22 VAL A 17 -0.658 -2.573 3.896 1.00 0.14 H new ATOM 0 HG23 VAL A 17 -0.876 -4.229 4.511 1.00 0.14 H new ATOM 225 N VAL A 18 4.044 -2.806 4.998 1.00 0.12 N ATOM 226 CA VAL A 18 5.347 -2.698 5.632 1.00 0.13 C ATOM 227 C VAL A 18 5.920 -1.294 5.463 1.00 0.12 C ATOM 228 O VAL A 18 5.709 -0.649 4.438 1.00 0.12 O ATOM 229 CB VAL A 18 6.339 -3.726 5.038 1.00 0.13 C ATOM 230 CG1 VAL A 18 5.953 -5.143 5.435 1.00 0.18 C ATOM 231 CG2 VAL A 18 6.404 -3.603 3.521 1.00 0.13 C ATOM 0 H VAL A 18 4.001 -2.416 4.056 1.00 0.12 H new ATOM 0 HA VAL A 18 5.210 -2.905 6.693 1.00 0.13 H new ATOM 0 HB VAL A 18 7.327 -3.510 5.445 1.00 0.13 H new ATOM 0 HG11 VAL A 18 6.665 -5.848 5.006 1.00 0.18 H new ATOM 0 HG12 VAL A 18 5.964 -5.232 6.521 1.00 0.18 H new ATOM 0 HG13 VAL A 18 4.953 -5.365 5.063 1.00 0.18 H new ATOM 0 HG21 VAL A 18 7.108 -4.336 3.126 1.00 0.13 H new ATOM 0 HG22 VAL A 18 5.416 -3.785 3.099 1.00 0.13 H new ATOM 0 HG23 VAL A 18 6.735 -2.600 3.251 1.00 0.13 H new ATOM 241 N PRO A 19 6.612 -0.780 6.488 1.00 0.14 N ATOM 242 CA PRO A 19 7.348 0.479 6.375 1.00 0.15 C ATOM 243 C PRO A 19 8.433 0.388 5.310 1.00 0.12 C ATOM 244 O PRO A 19 9.106 -0.633 5.184 1.00 0.10 O ATOM 245 CB PRO A 19 7.967 0.673 7.765 1.00 0.17 C ATOM 246 CG PRO A 19 7.178 -0.208 8.673 1.00 0.19 C ATOM 247 CD PRO A 19 6.712 -1.365 7.835 1.00 0.17 C ATOM 0 HA PRO A 19 6.707 1.309 6.078 1.00 0.15 H new ATOM 0 HB2 PRO A 19 9.022 0.397 7.768 1.00 0.17 H new ATOM 0 HB3 PRO A 19 7.909 1.715 8.080 1.00 0.17 H new ATOM 0 HG2 PRO A 19 7.788 -0.553 9.508 1.00 0.19 H new ATOM 0 HG3 PRO A 19 6.331 0.330 9.098 1.00 0.19 H new ATOM 0 HD2 PRO A 19 7.419 -2.194 7.863 1.00 0.17 H new ATOM 0 HD3 PRO A 19 5.753 -1.752 8.179 1.00 0.17 H new ATOM 255 N GLY A 20 8.587 1.453 4.534 1.00 0.14 N ATOM 256 CA GLY A 20 9.567 1.458 3.463 1.00 0.13 C ATOM 257 C GLY A 20 10.991 1.367 3.975 1.00 0.14 C ATOM 258 O GLY A 20 11.887 0.921 3.262 1.00 0.18 O ATOM 0 H GLY A 20 8.050 2.315 4.627 1.00 0.14 H new ATOM 0 HA2 GLY A 20 9.372 0.621 2.793 1.00 0.13 H new ATOM 0 HA3 GLY A 20 9.453 2.369 2.876 1.00 0.13 H new ATOM 262 N ASP A 21 11.198 1.791 5.214 1.00 0.17 N ATOM 263 CA ASP A 21 12.506 1.706 5.850 1.00 0.21 C ATOM 264 C ASP A 21 12.579 0.464 6.731 1.00 0.19 C ATOM 265 O ASP A 21 13.569 0.235 7.430 1.00 0.23 O ATOM 266 CB ASP A 21 12.779 2.956 6.690 1.00 0.31 C ATOM 267 CG ASP A 21 11.983 2.988 7.984 1.00 1.23 C ATOM 268 OD1 ASP A 21 12.589 3.232 9.050 1.00 1.22 O ATOM 269 OD2 ASP A 21 10.753 2.759 7.946 1.00 2.27 O ATOM 0 H ASP A 21 10.472 2.200 5.802 1.00 0.17 H new ATOM 0 HA ASP A 21 13.265 1.638 5.070 1.00 0.21 H new ATOM 0 HB2 ASP A 21 13.843 3.005 6.923 1.00 0.31 H new ATOM 0 HB3 ASP A 21 12.540 3.842 6.101 1.00 0.31 H new ATOM 274 N SER A 22 11.522 -0.334 6.690 1.00 0.16 N ATOM 275 CA SER A 22 11.473 -1.577 7.436 1.00 0.17 C ATOM 276 C SER A 22 12.371 -2.606 6.786 1.00 0.16 C ATOM 277 O SER A 22 12.600 -2.560 5.583 1.00 0.14 O ATOM 278 CB SER A 22 10.040 -2.115 7.502 1.00 0.18 C ATOM 279 OG SER A 22 9.987 -3.409 8.075 1.00 0.24 O ATOM 0 H SER A 22 10.683 -0.139 6.144 1.00 0.16 H new ATOM 0 HA SER A 22 11.820 -1.380 8.451 1.00 0.17 H new ATOM 0 HB2 SER A 22 9.423 -1.433 8.087 1.00 0.18 H new ATOM 0 HB3 SER A 22 9.617 -2.145 6.498 1.00 0.18 H new ATOM 0 HG SER A 22 9.057 -3.717 8.101 1.00 0.24 H new ATOM 285 N ASP A 23 12.863 -3.536 7.576 1.00 0.20 N ATOM 286 CA ASP A 23 13.711 -4.599 7.061 1.00 0.22 C ATOM 287 C ASP A 23 13.014 -5.321 5.921 1.00 0.20 C ATOM 288 O ASP A 23 13.635 -5.675 4.918 1.00 0.22 O ATOM 289 CB ASP A 23 14.057 -5.585 8.172 1.00 0.29 C ATOM 290 CG ASP A 23 15.088 -5.033 9.132 1.00 0.59 C ATOM 291 OD1 ASP A 23 14.697 -4.337 10.096 1.00 1.06 O ATOM 292 OD2 ASP A 23 16.294 -5.281 8.923 1.00 0.61 O ATOM 0 H ASP A 23 12.692 -3.581 8.581 1.00 0.20 H new ATOM 0 HA ASP A 23 14.634 -4.157 6.685 1.00 0.22 H new ATOM 0 HB2 ASP A 23 13.152 -5.840 8.723 1.00 0.29 H new ATOM 0 HB3 ASP A 23 14.433 -6.508 7.731 1.00 0.29 H new ATOM 297 N LEU A 24 11.717 -5.520 6.078 1.00 0.20 N ATOM 298 CA LEU A 24 10.911 -6.116 5.029 1.00 0.21 C ATOM 299 C LEU A 24 10.740 -5.152 3.865 1.00 0.17 C ATOM 300 O LEU A 24 11.203 -5.424 2.760 1.00 0.18 O ATOM 301 CB LEU A 24 9.544 -6.530 5.571 1.00 0.26 C ATOM 302 CG LEU A 24 9.397 -8.015 5.890 1.00 0.35 C ATOM 303 CD1 LEU A 24 9.560 -8.847 4.625 1.00 1.03 C ATOM 304 CD2 LEU A 24 10.406 -8.440 6.946 1.00 1.11 C ATOM 0 H LEU A 24 11.200 -5.277 6.923 1.00 0.20 H new ATOM 0 HA LEU A 24 11.430 -7.005 4.670 1.00 0.21 H new ATOM 0 HB2 LEU A 24 9.341 -5.958 6.476 1.00 0.26 H new ATOM 0 HB3 LEU A 24 8.782 -6.254 4.842 1.00 0.26 H new ATOM 0 HG LEU A 24 8.397 -8.185 6.289 1.00 0.35 H new ATOM 0 HD11 LEU A 24 9.453 -9.904 4.868 1.00 1.03 H new ATOM 0 HD12 LEU A 24 8.797 -8.562 3.901 1.00 1.03 H new ATOM 0 HD13 LEU A 24 10.548 -8.671 4.199 1.00 1.03 H new ATOM 0 HD21 LEU A 24 10.284 -9.502 7.159 1.00 1.11 H new ATOM 0 HD22 LEU A 24 11.416 -8.257 6.579 1.00 1.11 H new ATOM 0 HD23 LEU A 24 10.242 -7.866 7.858 1.00 1.11 H new ATOM 316 N GLY A 25 10.106 -4.014 4.134 1.00 0.14 N ATOM 317 CA GLY A 25 9.797 -3.049 3.089 1.00 0.12 C ATOM 318 C GLY A 25 11.006 -2.644 2.271 1.00 0.12 C ATOM 319 O GLY A 25 10.924 -2.532 1.049 1.00 0.16 O ATOM 0 H GLY A 25 9.797 -3.740 5.067 1.00 0.14 H new ATOM 0 HA2 GLY A 25 9.043 -3.472 2.425 1.00 0.12 H new ATOM 0 HA3 GLY A 25 9.360 -2.160 3.543 1.00 0.12 H new ATOM 323 N THR A 26 12.131 -2.461 2.939 1.00 0.13 N ATOM 324 CA THR A 26 13.347 -2.018 2.284 1.00 0.16 C ATOM 325 C THR A 26 13.891 -3.104 1.370 1.00 0.20 C ATOM 326 O THR A 26 14.262 -2.840 0.230 1.00 0.24 O ATOM 327 CB THR A 26 14.416 -1.618 3.318 1.00 0.18 C ATOM 328 OG1 THR A 26 13.898 -0.602 4.181 1.00 0.20 O ATOM 329 CG2 THR A 26 15.674 -1.103 2.647 1.00 0.23 C ATOM 0 H THR A 26 12.227 -2.614 3.943 1.00 0.13 H new ATOM 0 HA THR A 26 13.101 -1.143 1.683 1.00 0.16 H new ATOM 0 HB THR A 26 14.671 -2.508 3.893 1.00 0.18 H new ATOM 0 HG1 THR A 26 13.315 -0.004 3.669 1.00 0.20 H new ATOM 0 HG21 THR A 26 16.406 -0.830 3.407 1.00 0.23 H new ATOM 0 HG22 THR A 26 16.089 -1.881 2.006 1.00 0.23 H new ATOM 0 HG23 THR A 26 15.433 -0.227 2.045 1.00 0.23 H new ATOM 337 N LEU A 27 13.902 -4.332 1.868 1.00 0.21 N ATOM 338 CA LEU A 27 14.366 -5.465 1.084 1.00 0.28 C ATOM 339 C LEU A 27 13.458 -5.647 -0.124 1.00 0.29 C ATOM 340 O LEU A 27 13.918 -5.925 -1.231 1.00 0.34 O ATOM 341 CB LEU A 27 14.357 -6.732 1.949 1.00 0.33 C ATOM 342 CG LEU A 27 15.469 -7.753 1.668 1.00 0.57 C ATOM 343 CD1 LEU A 27 15.350 -8.334 0.266 1.00 1.01 C ATOM 344 CD2 LEU A 27 16.837 -7.118 1.867 1.00 1.00 C ATOM 0 H LEU A 27 13.595 -4.568 2.811 1.00 0.21 H new ATOM 0 HA LEU A 27 15.385 -5.281 0.742 1.00 0.28 H new ATOM 0 HB2 LEU A 27 14.423 -6.433 2.995 1.00 0.33 H new ATOM 0 HB3 LEU A 27 13.395 -7.228 1.819 1.00 0.33 H new ATOM 0 HG LEU A 27 15.356 -8.572 2.378 1.00 0.57 H new ATOM 0 HD11 LEU A 27 16.153 -9.053 0.101 1.00 1.01 H new ATOM 0 HD12 LEU A 27 14.387 -8.834 0.160 1.00 1.01 H new ATOM 0 HD13 LEU A 27 15.425 -7.532 -0.468 1.00 1.01 H new ATOM 0 HD21 LEU A 27 17.613 -7.855 1.664 1.00 1.00 H new ATOM 0 HD22 LEU A 27 16.950 -6.275 1.185 1.00 1.00 H new ATOM 0 HD23 LEU A 27 16.929 -6.768 2.895 1.00 1.00 H new ATOM 356 N LEU A 28 12.167 -5.445 0.093 1.00 0.27 N ATOM 357 CA LEU A 28 11.181 -5.644 -0.955 1.00 0.31 C ATOM 358 C LEU A 28 11.320 -4.583 -2.034 1.00 0.32 C ATOM 359 O LEU A 28 11.295 -4.897 -3.221 1.00 0.37 O ATOM 360 CB LEU A 28 9.756 -5.620 -0.384 1.00 0.31 C ATOM 361 CG LEU A 28 9.471 -6.602 0.760 1.00 0.31 C ATOM 362 CD1 LEU A 28 7.974 -6.751 0.972 1.00 0.34 C ATOM 363 CD2 LEU A 28 10.120 -7.951 0.500 1.00 0.37 C ATOM 0 H LEU A 28 11.779 -5.143 0.987 1.00 0.27 H new ATOM 0 HA LEU A 28 11.363 -6.624 -1.396 1.00 0.31 H new ATOM 0 HB2 LEU A 28 9.545 -4.611 -0.030 1.00 0.31 H new ATOM 0 HB3 LEU A 28 9.058 -5.826 -1.195 1.00 0.31 H new ATOM 0 HG LEU A 28 9.908 -6.196 1.672 1.00 0.31 H new ATOM 0 HD11 LEU A 28 7.790 -7.451 1.787 1.00 0.34 H new ATOM 0 HD12 LEU A 28 7.544 -5.781 1.222 1.00 0.34 H new ATOM 0 HD13 LEU A 28 7.513 -7.128 0.059 1.00 0.34 H new ATOM 0 HD21 LEU A 28 9.901 -8.626 1.327 1.00 0.37 H new ATOM 0 HD22 LEU A 28 9.727 -8.372 -0.425 1.00 0.37 H new ATOM 0 HD23 LEU A 28 11.199 -7.825 0.411 1.00 0.37 H new ATOM 375 N LEU A 29 11.486 -3.329 -1.629 1.00 0.30 N ATOM 376 CA LEU A 29 11.601 -2.244 -2.592 1.00 0.32 C ATOM 377 C LEU A 29 12.980 -2.232 -3.242 1.00 0.36 C ATOM 378 O LEU A 29 13.139 -1.755 -4.362 1.00 0.41 O ATOM 379 CB LEU A 29 11.259 -0.889 -1.952 1.00 0.30 C ATOM 380 CG LEU A 29 12.159 -0.390 -0.815 1.00 0.29 C ATOM 381 CD1 LEU A 29 13.462 0.189 -1.345 1.00 0.31 C ATOM 382 CD2 LEU A 29 11.423 0.658 -0.007 1.00 0.31 C ATOM 0 H LEU A 29 11.543 -3.042 -0.652 1.00 0.30 H new ATOM 0 HA LEU A 29 10.870 -2.418 -3.382 1.00 0.32 H new ATOM 0 HB2 LEU A 29 11.265 -0.135 -2.739 1.00 0.30 H new ATOM 0 HB3 LEU A 29 10.239 -0.946 -1.572 1.00 0.30 H new ATOM 0 HG LEU A 29 12.406 -1.242 -0.181 1.00 0.29 H new ATOM 0 HD11 LEU A 29 14.074 0.532 -0.511 1.00 0.31 H new ATOM 0 HD12 LEU A 29 14.002 -0.578 -1.899 1.00 0.31 H new ATOM 0 HD13 LEU A 29 13.245 1.029 -2.005 1.00 0.31 H new ATOM 0 HD21 LEU A 29 12.064 1.011 0.801 1.00 0.31 H new ATOM 0 HD22 LEU A 29 11.158 1.495 -0.653 1.00 0.31 H new ATOM 0 HD23 LEU A 29 10.516 0.223 0.414 1.00 0.31 H new ATOM 394 N ASP A 30 13.974 -2.759 -2.536 1.00 0.34 N ATOM 395 CA ASP A 30 15.304 -2.959 -3.109 1.00 0.39 C ATOM 396 C ASP A 30 15.210 -3.969 -4.237 1.00 0.43 C ATOM 397 O ASP A 30 15.894 -3.872 -5.253 1.00 0.49 O ATOM 398 CB ASP A 30 16.275 -3.471 -2.041 1.00 0.41 C ATOM 399 CG ASP A 30 17.678 -3.700 -2.576 1.00 0.54 C ATOM 400 OD1 ASP A 30 18.065 -4.871 -2.764 1.00 0.66 O ATOM 401 OD2 ASP A 30 18.401 -2.710 -2.812 1.00 0.63 O ATOM 0 H ASP A 30 13.886 -3.056 -1.564 1.00 0.34 H new ATOM 0 HA ASP A 30 15.676 -2.008 -3.490 1.00 0.39 H new ATOM 0 HB2 ASP A 30 16.317 -2.753 -1.222 1.00 0.41 H new ATOM 0 HB3 ASP A 30 15.893 -4.404 -1.628 1.00 0.41 H new ATOM 406 N GLU A 31 14.314 -4.918 -4.039 1.00 0.43 N ATOM 407 CA GLU A 31 14.063 -5.979 -4.987 1.00 0.49 C ATOM 408 C GLU A 31 13.152 -5.505 -6.116 1.00 0.51 C ATOM 409 O GLU A 31 13.002 -6.178 -7.137 1.00 0.62 O ATOM 410 CB GLU A 31 13.435 -7.148 -4.240 1.00 0.52 C ATOM 411 CG GLU A 31 14.455 -8.100 -3.642 1.00 0.97 C ATOM 412 CD GLU A 31 15.443 -8.600 -4.672 1.00 1.46 C ATOM 413 OE1 GLU A 31 15.058 -9.435 -5.519 1.00 1.76 O ATOM 414 OE2 GLU A 31 16.616 -8.171 -4.632 1.00 2.07 O ATOM 0 H GLU A 31 13.734 -4.971 -3.202 1.00 0.43 H new ATOM 0 HA GLU A 31 15.002 -6.291 -5.444 1.00 0.49 H new ATOM 0 HB2 GLU A 31 12.800 -6.761 -3.443 1.00 0.52 H new ATOM 0 HB3 GLU A 31 12.790 -7.701 -4.922 1.00 0.52 H new ATOM 0 HG2 GLU A 31 14.993 -7.596 -2.840 1.00 0.97 H new ATOM 0 HG3 GLU A 31 13.938 -8.949 -3.195 1.00 0.97 H new ATOM 421 N LEU A 32 12.551 -4.340 -5.926 1.00 0.52 N ATOM 422 CA LEU A 32 11.596 -3.800 -6.881 1.00 0.58 C ATOM 423 C LEU A 32 12.131 -2.555 -7.586 1.00 0.61 C ATOM 424 O LEU A 32 11.571 -2.105 -8.587 1.00 0.71 O ATOM 425 CB LEU A 32 10.293 -3.474 -6.157 1.00 0.56 C ATOM 426 CG LEU A 32 9.499 -4.684 -5.662 1.00 0.57 C ATOM 427 CD1 LEU A 32 8.296 -4.232 -4.856 1.00 0.57 C ATOM 428 CD2 LEU A 32 9.064 -5.557 -6.828 1.00 0.64 C ATOM 0 H LEU A 32 12.710 -3.746 -5.112 1.00 0.52 H new ATOM 0 HA LEU A 32 11.421 -4.554 -7.649 1.00 0.58 H new ATOM 0 HB2 LEU A 32 10.521 -2.836 -5.303 1.00 0.56 H new ATOM 0 HB3 LEU A 32 9.659 -2.894 -6.828 1.00 0.56 H new ATOM 0 HG LEU A 32 10.146 -5.278 -5.016 1.00 0.57 H new ATOM 0 HD11 LEU A 32 7.741 -5.104 -4.511 1.00 0.57 H new ATOM 0 HD12 LEU A 32 8.631 -3.651 -3.997 1.00 0.57 H new ATOM 0 HD13 LEU A 32 7.650 -3.615 -5.481 1.00 0.57 H new ATOM 0 HD21 LEU A 32 8.501 -6.411 -6.453 1.00 0.64 H new ATOM 0 HD22 LEU A 32 8.435 -4.976 -7.503 1.00 0.64 H new ATOM 0 HD23 LEU A 32 9.944 -5.910 -7.366 1.00 0.64 H new ATOM 440 N GLY A 33 13.212 -1.999 -7.051 1.00 0.57 N ATOM 441 CA GLY A 33 13.835 -0.834 -7.652 1.00 0.62 C ATOM 442 C GLY A 33 13.092 0.454 -7.351 1.00 0.63 C ATOM 443 O GLY A 33 12.935 1.307 -8.226 1.00 0.75 O ATOM 0 H GLY A 33 13.671 -2.337 -6.205 1.00 0.57 H new ATOM 0 HA2 GLY A 33 14.860 -0.749 -7.291 1.00 0.62 H new ATOM 0 HA3 GLY A 33 13.888 -0.973 -8.732 1.00 0.62 H new ATOM 447 N ILE A 34 12.636 0.603 -6.114 1.00 0.54 N ATOM 448 CA ILE A 34 11.862 1.778 -5.728 1.00 0.58 C ATOM 449 C ILE A 34 12.712 2.741 -4.910 1.00 0.65 C ATOM 450 O ILE A 34 13.517 2.321 -4.076 1.00 0.68 O ATOM 451 CB ILE A 34 10.623 1.392 -4.892 1.00 0.51 C ATOM 452 CG1 ILE A 34 9.914 0.182 -5.508 1.00 0.55 C ATOM 453 CG2 ILE A 34 9.663 2.571 -4.794 1.00 0.58 C ATOM 454 CD1 ILE A 34 8.804 -0.373 -4.645 1.00 0.56 C ATOM 0 H ILE A 34 12.787 -0.071 -5.363 1.00 0.54 H new ATOM 0 HA ILE A 34 11.538 2.258 -6.651 1.00 0.58 H new ATOM 0 HB ILE A 34 10.954 1.125 -3.888 1.00 0.51 H new ATOM 0 HG12 ILE A 34 9.502 0.467 -6.476 1.00 0.55 H new ATOM 0 HG13 ILE A 34 10.647 -0.603 -5.692 1.00 0.55 H new ATOM 0 HG21 ILE A 34 8.794 2.284 -4.202 1.00 0.58 H new ATOM 0 HG22 ILE A 34 10.167 3.411 -4.316 1.00 0.58 H new ATOM 0 HG23 ILE A 34 9.341 2.862 -5.794 1.00 0.58 H new ATOM 0 HD11 ILE A 34 8.347 -1.227 -5.144 1.00 0.56 H new ATOM 0 HD12 ILE A 34 9.213 -0.689 -3.685 1.00 0.56 H new ATOM 0 HD13 ILE A 34 8.050 0.397 -4.482 1.00 0.56 H new ATOM 466 N VAL A 35 12.536 4.029 -5.158 1.00 0.77 N ATOM 467 CA VAL A 35 13.182 5.055 -4.365 1.00 0.89 C ATOM 468 C VAL A 35 12.133 6.008 -3.787 1.00 0.74 C ATOM 469 O VAL A 35 11.580 6.856 -4.486 1.00 0.90 O ATOM 470 CB VAL A 35 14.247 5.825 -5.185 1.00 1.24 C ATOM 471 CG1 VAL A 35 13.670 6.392 -6.476 1.00 1.84 C ATOM 472 CG2 VAL A 35 14.877 6.926 -4.345 1.00 1.87 C ATOM 0 H VAL A 35 11.946 4.388 -5.909 1.00 0.77 H new ATOM 0 HA VAL A 35 13.705 4.570 -3.541 1.00 0.89 H new ATOM 0 HB VAL A 35 15.023 5.112 -5.464 1.00 1.24 H new ATOM 0 HG11 VAL A 35 14.450 6.924 -7.020 1.00 1.84 H new ATOM 0 HG12 VAL A 35 13.288 5.578 -7.092 1.00 1.84 H new ATOM 0 HG13 VAL A 35 12.858 7.080 -6.240 1.00 1.84 H new ATOM 0 HG21 VAL A 35 15.622 7.455 -4.939 1.00 1.87 H new ATOM 0 HG22 VAL A 35 14.105 7.626 -4.024 1.00 1.87 H new ATOM 0 HG23 VAL A 35 15.355 6.487 -3.470 1.00 1.87 H new ATOM 482 N LEU A 36 11.835 5.832 -2.510 1.00 0.70 N ATOM 483 CA LEU A 36 10.825 6.631 -1.839 1.00 0.66 C ATOM 484 C LEU A 36 11.366 8.004 -1.483 1.00 0.68 C ATOM 485 O LEU A 36 12.526 8.149 -1.092 1.00 0.84 O ATOM 486 CB LEU A 36 10.381 5.913 -0.572 1.00 0.86 C ATOM 487 CG LEU A 36 9.856 4.500 -0.785 1.00 1.90 C ATOM 488 CD1 LEU A 36 9.835 3.750 0.530 1.00 2.62 C ATOM 489 CD2 LEU A 36 8.472 4.540 -1.402 1.00 2.76 C ATOM 0 H LEU A 36 12.283 5.136 -1.914 1.00 0.70 H new ATOM 0 HA LEU A 36 9.978 6.762 -2.513 1.00 0.66 H new ATOM 0 HB2 LEU A 36 11.223 5.871 0.119 1.00 0.86 H new ATOM 0 HB3 LEU A 36 9.603 6.505 -0.090 1.00 0.86 H new ATOM 0 HG LEU A 36 10.521 3.976 -1.472 1.00 1.90 H new ATOM 0 HD11 LEU A 36 9.458 2.740 0.367 1.00 2.62 H new ATOM 0 HD12 LEU A 36 10.845 3.699 0.936 1.00 2.62 H new ATOM 0 HD13 LEU A 36 9.187 4.270 1.235 1.00 2.62 H new ATOM 0 HD21 LEU A 36 8.109 3.523 -1.549 1.00 2.76 H new ATOM 0 HD22 LEU A 36 7.793 5.075 -0.738 1.00 2.76 H new ATOM 0 HD23 LEU A 36 8.517 5.051 -2.364 1.00 2.76 H new ATOM 501 N GLU A 37 10.512 9.006 -1.631 1.00 0.72 N ATOM 502 CA GLU A 37 10.840 10.368 -1.251 1.00 0.84 C ATOM 503 C GLU A 37 10.920 10.457 0.269 1.00 0.76 C ATOM 504 O GLU A 37 11.712 11.217 0.825 1.00 0.88 O ATOM 505 CB GLU A 37 9.774 11.320 -1.797 1.00 1.02 C ATOM 506 CG GLU A 37 10.104 12.790 -1.615 1.00 1.42 C ATOM 507 CD GLU A 37 9.009 13.691 -2.137 1.00 2.06 C ATOM 508 OE1 GLU A 37 8.252 14.256 -1.318 1.00 2.65 O ATOM 509 OE2 GLU A 37 8.898 13.841 -3.370 1.00 2.58 O ATOM 0 H GLU A 37 9.574 8.896 -2.017 1.00 0.72 H new ATOM 0 HA GLU A 37 11.805 10.654 -1.670 1.00 0.84 H new ATOM 0 HB2 GLU A 37 9.633 11.119 -2.859 1.00 1.02 H new ATOM 0 HB3 GLU A 37 8.826 11.108 -1.303 1.00 1.02 H new ATOM 0 HG2 GLU A 37 10.267 12.995 -0.557 1.00 1.42 H new ATOM 0 HG3 GLU A 37 11.036 13.018 -2.132 1.00 1.42 H new ATOM 516 N ASP A 38 10.087 9.660 0.926 1.00 0.61 N ATOM 517 CA ASP A 38 10.136 9.489 2.364 1.00 0.54 C ATOM 518 C ASP A 38 10.107 8.007 2.677 1.00 0.41 C ATOM 519 O ASP A 38 9.059 7.374 2.569 1.00 0.39 O ATOM 520 CB ASP A 38 8.951 10.171 3.060 1.00 0.60 C ATOM 521 CG ASP A 38 9.073 11.676 3.120 1.00 1.20 C ATOM 522 OD1 ASP A 38 9.867 12.178 3.944 1.00 1.20 O ATOM 523 OD2 ASP A 38 8.353 12.364 2.367 1.00 2.29 O ATOM 0 H ASP A 38 9.357 9.113 0.470 1.00 0.61 H new ATOM 0 HA ASP A 38 11.052 9.950 2.733 1.00 0.54 H new ATOM 0 HB2 ASP A 38 8.032 9.909 2.535 1.00 0.60 H new ATOM 0 HB3 ASP A 38 8.862 9.781 4.074 1.00 0.60 H new ATOM 528 N PRO A 39 11.248 7.418 3.059 1.00 0.41 N ATOM 529 CA PRO A 39 11.317 5.991 3.385 1.00 0.40 C ATOM 530 C PRO A 39 10.523 5.658 4.647 1.00 0.32 C ATOM 531 O PRO A 39 10.414 4.503 5.046 1.00 0.35 O ATOM 532 CB PRO A 39 12.812 5.740 3.600 1.00 0.57 C ATOM 533 CG PRO A 39 13.382 7.074 3.945 1.00 0.64 C ATOM 534 CD PRO A 39 12.556 8.086 3.200 1.00 0.57 C ATOM 0 HA PRO A 39 10.886 5.368 2.602 1.00 0.40 H new ATOM 0 HB2 PRO A 39 12.980 5.020 4.401 1.00 0.57 H new ATOM 0 HB3 PRO A 39 13.277 5.332 2.702 1.00 0.57 H new ATOM 0 HG2 PRO A 39 13.338 7.250 5.020 1.00 0.64 H new ATOM 0 HG3 PRO A 39 14.431 7.137 3.654 1.00 0.64 H new ATOM 0 HD2 PRO A 39 12.472 9.022 3.752 1.00 0.57 H new ATOM 0 HD3 PRO A 39 12.992 8.326 2.230 1.00 0.57 H new ATOM 542 N THR A 40 9.946 6.684 5.249 1.00 0.30 N ATOM 543 CA THR A 40 9.188 6.527 6.474 1.00 0.31 C ATOM 544 C THR A 40 7.734 6.178 6.183 1.00 0.28 C ATOM 545 O THR A 40 6.969 5.861 7.094 1.00 0.48 O ATOM 546 CB THR A 40 9.255 7.810 7.318 1.00 0.42 C ATOM 547 OG1 THR A 40 9.082 8.956 6.472 1.00 0.51 O ATOM 548 CG2 THR A 40 10.583 7.904 8.052 1.00 0.49 C ATOM 0 H THR A 40 9.990 7.643 4.903 1.00 0.30 H new ATOM 0 HA THR A 40 9.634 5.706 7.035 1.00 0.31 H new ATOM 0 HB THR A 40 8.455 7.781 8.058 1.00 0.42 H new ATOM 0 HG1 THR A 40 9.124 9.772 7.014 1.00 0.51 H new ATOM 0 HG21 THR A 40 10.608 8.820 8.643 1.00 0.49 H new ATOM 0 HG22 THR A 40 10.696 7.043 8.711 1.00 0.49 H new ATOM 0 HG23 THR A 40 11.398 7.916 7.329 1.00 0.49 H new ATOM 556 N VAL A 41 7.355 6.228 4.911 1.00 0.20 N ATOM 557 CA VAL A 41 5.988 5.923 4.520 1.00 0.17 C ATOM 558 C VAL A 41 5.748 4.419 4.519 1.00 0.14 C ATOM 559 O VAL A 41 6.690 3.620 4.463 1.00 0.15 O ATOM 560 CB VAL A 41 5.637 6.494 3.126 1.00 0.20 C ATOM 561 CG1 VAL A 41 5.899 7.988 3.078 1.00 0.24 C ATOM 562 CG2 VAL A 41 6.401 5.775 2.022 1.00 0.23 C ATOM 0 H VAL A 41 7.973 6.476 4.138 1.00 0.20 H new ATOM 0 HA VAL A 41 5.341 6.399 5.257 1.00 0.17 H new ATOM 0 HB VAL A 41 4.574 6.325 2.955 1.00 0.20 H new ATOM 0 HG11 VAL A 41 5.646 8.370 2.089 1.00 0.24 H new ATOM 0 HG12 VAL A 41 5.287 8.489 3.828 1.00 0.24 H new ATOM 0 HG13 VAL A 41 6.952 8.179 3.282 1.00 0.24 H new ATOM 0 HG21 VAL A 41 6.131 6.201 1.056 1.00 0.23 H new ATOM 0 HG22 VAL A 41 7.472 5.894 2.184 1.00 0.23 H new ATOM 0 HG23 VAL A 41 6.147 4.715 2.035 1.00 0.23 H new ATOM 572 N LEU A 42 4.487 4.040 4.600 1.00 0.14 N ATOM 573 CA LEU A 42 4.109 2.640 4.561 1.00 0.14 C ATOM 574 C LEU A 42 3.854 2.208 3.132 1.00 0.12 C ATOM 575 O LEU A 42 3.032 2.804 2.431 1.00 0.15 O ATOM 576 CB LEU A 42 2.861 2.393 5.410 1.00 0.16 C ATOM 577 CG LEU A 42 3.024 2.659 6.907 1.00 0.17 C ATOM 578 CD1 LEU A 42 1.729 2.369 7.646 1.00 0.20 C ATOM 579 CD2 LEU A 42 4.161 1.826 7.473 1.00 0.22 C ATOM 0 H LEU A 42 3.703 4.686 4.694 1.00 0.14 H new ATOM 0 HA LEU A 42 4.930 2.052 4.971 1.00 0.14 H new ATOM 0 HB2 LEU A 42 2.055 3.022 5.032 1.00 0.16 H new ATOM 0 HB3 LEU A 42 2.549 1.358 5.274 1.00 0.16 H new ATOM 0 HG LEU A 42 3.267 3.713 7.045 1.00 0.17 H new ATOM 0 HD11 LEU A 42 1.865 2.564 8.710 1.00 0.20 H new ATOM 0 HD12 LEU A 42 0.937 3.010 7.258 1.00 0.20 H new ATOM 0 HD13 LEU A 42 1.454 1.324 7.501 1.00 0.20 H new ATOM 0 HD21 LEU A 42 4.264 2.027 8.539 1.00 0.22 H new ATOM 0 HD22 LEU A 42 3.947 0.768 7.322 1.00 0.22 H new ATOM 0 HD23 LEU A 42 5.090 2.084 6.964 1.00 0.22 H new ATOM 591 N ILE A 43 4.568 1.183 2.702 1.00 0.11 N ATOM 592 CA ILE A 43 4.365 0.624 1.382 1.00 0.10 C ATOM 593 C ILE A 43 3.624 -0.697 1.487 1.00 0.11 C ATOM 594 O ILE A 43 3.875 -1.497 2.391 1.00 0.15 O ATOM 595 CB ILE A 43 5.683 0.433 0.598 1.00 0.11 C ATOM 596 CG1 ILE A 43 6.744 -0.265 1.451 1.00 0.11 C ATOM 597 CG2 ILE A 43 6.197 1.778 0.103 1.00 0.13 C ATOM 598 CD1 ILE A 43 7.987 -0.645 0.677 1.00 0.14 C ATOM 0 H ILE A 43 5.294 0.722 3.250 1.00 0.11 H new ATOM 0 HA ILE A 43 3.767 1.343 0.822 1.00 0.10 H new ATOM 0 HB ILE A 43 5.476 -0.206 -0.260 1.00 0.11 H new ATOM 0 HG12 ILE A 43 7.025 0.391 2.275 1.00 0.11 H new ATOM 0 HG13 ILE A 43 6.311 -1.163 1.892 1.00 0.11 H new ATOM 0 HG21 ILE A 43 7.126 1.632 -0.448 1.00 0.13 H new ATOM 0 HG22 ILE A 43 5.454 2.233 -0.552 1.00 0.13 H new ATOM 0 HG23 ILE A 43 6.379 2.434 0.955 1.00 0.13 H new ATOM 0 HD11 ILE A 43 8.696 -1.135 1.345 1.00 0.14 H new ATOM 0 HD12 ILE A 43 7.719 -1.326 -0.131 1.00 0.14 H new ATOM 0 HD13 ILE A 43 8.444 0.252 0.259 1.00 0.14 H new ATOM 610 N GLY A 44 2.694 -0.909 0.579 1.00 0.13 N ATOM 611 CA GLY A 44 1.858 -2.080 0.648 1.00 0.16 C ATOM 612 C GLY A 44 2.022 -2.997 -0.538 1.00 0.17 C ATOM 613 O GLY A 44 1.558 -2.689 -1.630 1.00 0.31 O ATOM 0 H GLY A 44 2.502 -0.289 -0.208 1.00 0.13 H new ATOM 0 HA2 GLY A 44 2.089 -2.631 1.560 1.00 0.16 H new ATOM 0 HA3 GLY A 44 0.815 -1.771 0.719 1.00 0.16 H new ATOM 617 N ASP A 45 2.679 -4.125 -0.331 1.00 0.18 N ATOM 618 CA ASP A 45 2.803 -5.128 -1.381 1.00 0.20 C ATOM 619 C ASP A 45 1.471 -5.825 -1.557 1.00 0.20 C ATOM 620 O ASP A 45 0.714 -5.962 -0.597 1.00 0.29 O ATOM 621 CB ASP A 45 3.854 -6.181 -1.037 1.00 0.32 C ATOM 622 CG ASP A 45 4.261 -7.003 -2.245 1.00 0.30 C ATOM 623 OD1 ASP A 45 5.127 -6.551 -3.017 1.00 0.42 O ATOM 624 OD2 ASP A 45 3.712 -8.109 -2.425 1.00 0.57 O ATOM 0 H ASP A 45 3.133 -4.371 0.548 1.00 0.18 H new ATOM 0 HA ASP A 45 3.108 -4.619 -2.295 1.00 0.20 H new ATOM 0 HB2 ASP A 45 4.734 -5.691 -0.621 1.00 0.32 H new ATOM 0 HB3 ASP A 45 3.463 -6.843 -0.265 1.00 0.32 H new ATOM 629 N GLY A 46 1.180 -6.254 -2.770 1.00 0.18 N ATOM 630 CA GLY A 46 -0.030 -7.016 -3.009 1.00 0.21 C ATOM 631 C GLY A 46 -1.283 -6.242 -2.659 1.00 0.18 C ATOM 632 O GLY A 46 -2.189 -6.766 -2.013 1.00 0.18 O ATOM 0 H GLY A 46 1.756 -6.091 -3.595 1.00 0.18 H new ATOM 0 HA2 GLY A 46 -0.069 -7.309 -4.058 1.00 0.21 H new ATOM 0 HA3 GLY A 46 0.001 -7.934 -2.423 1.00 0.21 H new ATOM 636 N CYS A 47 -1.329 -4.997 -3.078 1.00 0.17 N ATOM 637 CA CYS A 47 -2.414 -4.115 -2.716 1.00 0.15 C ATOM 638 C CYS A 47 -3.411 -3.995 -3.855 1.00 0.19 C ATOM 639 O CYS A 47 -3.080 -3.540 -4.950 1.00 0.25 O ATOM 640 CB CYS A 47 -1.859 -2.747 -2.338 1.00 0.15 C ATOM 641 SG CYS A 47 -2.690 -1.982 -0.916 1.00 0.12 S ATOM 0 H CYS A 47 -0.620 -4.570 -3.675 1.00 0.17 H new ATOM 0 HA CYS A 47 -2.938 -4.533 -1.856 1.00 0.15 H new ATOM 0 HB2 CYS A 47 -0.797 -2.846 -2.115 1.00 0.15 H new ATOM 0 HB3 CYS A 47 -1.944 -2.081 -3.197 1.00 0.15 H new ATOM 646 N ASP A 48 -4.627 -4.432 -3.594 1.00 0.19 N ATOM 647 CA ASP A 48 -5.685 -4.368 -4.585 1.00 0.24 C ATOM 648 C ASP A 48 -6.596 -3.187 -4.308 1.00 0.21 C ATOM 649 O ASP A 48 -7.008 -2.970 -3.175 1.00 0.19 O ATOM 650 CB ASP A 48 -6.498 -5.665 -4.605 1.00 0.30 C ATOM 651 CG ASP A 48 -7.403 -5.841 -3.398 1.00 1.50 C ATOM 652 OD1 ASP A 48 -8.577 -5.424 -3.469 1.00 2.21 O ATOM 653 OD2 ASP A 48 -6.932 -6.369 -2.367 1.00 2.02 O ATOM 0 H ASP A 48 -4.908 -4.837 -2.701 1.00 0.19 H new ATOM 0 HA ASP A 48 -5.223 -4.238 -5.564 1.00 0.24 H new ATOM 0 HB2 ASP A 48 -7.106 -5.688 -5.509 1.00 0.30 H new ATOM 0 HB3 ASP A 48 -5.813 -6.511 -4.660 1.00 0.30 H new ATOM 658 N PRO A 49 -6.892 -2.385 -5.328 1.00 0.26 N ATOM 659 CA PRO A 49 -7.859 -1.302 -5.201 1.00 0.28 C ATOM 660 C PRO A 49 -9.225 -1.862 -4.834 1.00 0.31 C ATOM 661 O PRO A 49 -9.799 -2.649 -5.590 1.00 0.37 O ATOM 662 CB PRO A 49 -7.891 -0.670 -6.595 1.00 0.35 C ATOM 663 CG PRO A 49 -6.651 -1.140 -7.279 1.00 0.44 C ATOM 664 CD PRO A 49 -6.310 -2.467 -6.671 1.00 0.34 C ATOM 0 HA PRO A 49 -7.597 -0.584 -4.424 1.00 0.28 H new ATOM 0 HB2 PRO A 49 -8.781 -0.977 -7.144 1.00 0.35 H new ATOM 0 HB3 PRO A 49 -7.915 0.418 -6.531 1.00 0.35 H new ATOM 0 HG2 PRO A 49 -6.812 -1.235 -8.353 1.00 0.44 H new ATOM 0 HG3 PRO A 49 -5.837 -0.428 -7.140 1.00 0.44 H new ATOM 0 HD2 PRO A 49 -6.734 -3.292 -7.243 1.00 0.34 H new ATOM 0 HD3 PRO A 49 -5.232 -2.627 -6.633 1.00 0.34 H new ATOM 672 N ILE A 50 -9.741 -1.475 -3.676 1.00 0.30 N ATOM 673 CA ILE A 50 -10.964 -2.077 -3.164 1.00 0.36 C ATOM 674 C ILE A 50 -12.182 -1.561 -3.919 1.00 0.43 C ATOM 675 O ILE A 50 -12.743 -0.514 -3.592 1.00 0.46 O ATOM 676 CB ILE A 50 -11.142 -1.839 -1.654 1.00 0.36 C ATOM 677 CG1 ILE A 50 -9.833 -2.126 -0.918 1.00 0.29 C ATOM 678 CG2 ILE A 50 -12.245 -2.736 -1.112 1.00 0.44 C ATOM 679 CD1 ILE A 50 -9.930 -1.975 0.586 1.00 0.31 C ATOM 0 H ILE A 50 -9.337 -0.754 -3.078 1.00 0.30 H new ATOM 0 HA ILE A 50 -10.875 -3.152 -3.323 1.00 0.36 H new ATOM 0 HB ILE A 50 -11.418 -0.797 -1.493 1.00 0.36 H new ATOM 0 HG12 ILE A 50 -9.511 -3.141 -1.152 1.00 0.29 H new ATOM 0 HG13 ILE A 50 -9.062 -1.453 -1.292 1.00 0.29 H new ATOM 0 HG21 ILE A 50 -12.364 -2.561 -0.043 1.00 0.44 H new ATOM 0 HG22 ILE A 50 -13.181 -2.511 -1.623 1.00 0.44 H new ATOM 0 HG23 ILE A 50 -11.981 -3.780 -1.281 1.00 0.44 H new ATOM 0 HD11 ILE A 50 -8.962 -2.195 1.037 1.00 0.31 H new ATOM 0 HD12 ILE A 50 -10.221 -0.954 0.831 1.00 0.31 H new ATOM 0 HD13 ILE A 50 -10.677 -2.668 0.974 1.00 0.31 H new ATOM 691 N THR A 51 -12.557 -2.304 -4.942 1.00 0.54 N ATOM 692 CA THR A 51 -13.695 -1.967 -5.778 1.00 0.64 C ATOM 693 C THR A 51 -14.437 -3.248 -6.168 1.00 0.79 C ATOM 694 O THR A 51 -15.112 -3.332 -7.197 1.00 0.88 O ATOM 695 CB THR A 51 -13.227 -1.179 -7.023 1.00 0.66 C ATOM 696 OG1 THR A 51 -14.338 -0.776 -7.831 1.00 0.78 O ATOM 697 CG2 THR A 51 -12.253 -1.998 -7.863 1.00 0.70 C ATOM 0 H THR A 51 -12.080 -3.162 -5.219 1.00 0.54 H new ATOM 0 HA THR A 51 -14.383 -1.328 -5.225 1.00 0.64 H new ATOM 0 HB THR A 51 -12.714 -0.287 -6.662 1.00 0.66 H new ATOM 0 HG1 THR A 51 -14.446 0.197 -7.777 1.00 0.78 H new ATOM 0 HG21 THR A 51 -11.943 -1.416 -8.731 1.00 0.70 H new ATOM 0 HG22 THR A 51 -11.378 -2.250 -7.263 1.00 0.70 H new ATOM 0 HG23 THR A 51 -12.741 -2.914 -8.196 1.00 0.70 H new ATOM 705 N VAL A 52 -14.300 -4.245 -5.308 1.00 0.88 N ATOM 706 CA VAL A 52 -14.917 -5.539 -5.508 1.00 1.10 C ATOM 707 C VAL A 52 -15.474 -6.057 -4.184 1.00 1.38 C ATOM 708 O VAL A 52 -14.801 -6.003 -3.152 1.00 1.44 O ATOM 709 CB VAL A 52 -13.902 -6.550 -6.087 1.00 1.13 C ATOM 710 CG1 VAL A 52 -12.667 -6.641 -5.207 1.00 1.17 C ATOM 711 CG2 VAL A 52 -14.537 -7.914 -6.251 1.00 1.44 C ATOM 0 H VAL A 52 -13.754 -4.175 -4.449 1.00 0.88 H new ATOM 0 HA VAL A 52 -15.732 -5.426 -6.223 1.00 1.10 H new ATOM 0 HB VAL A 52 -13.596 -6.193 -7.070 1.00 1.13 H new ATOM 0 HG11 VAL A 52 -11.967 -7.359 -5.635 1.00 1.17 H new ATOM 0 HG12 VAL A 52 -12.191 -5.662 -5.146 1.00 1.17 H new ATOM 0 HG13 VAL A 52 -12.955 -6.967 -4.208 1.00 1.17 H new ATOM 0 HG21 VAL A 52 -13.804 -8.610 -6.660 1.00 1.44 H new ATOM 0 HG22 VAL A 52 -14.878 -8.275 -5.281 1.00 1.44 H new ATOM 0 HG23 VAL A 52 -15.386 -7.841 -6.930 1.00 1.44 H new ATOM 721 N ALA A 53 -16.707 -6.535 -4.205 1.00 1.71 N ATOM 722 CA ALA A 53 -17.351 -7.013 -2.992 1.00 2.11 C ATOM 723 C ALA A 53 -17.210 -8.524 -2.848 1.00 2.05 C ATOM 724 O ALA A 53 -17.468 -9.080 -1.778 1.00 2.54 O ATOM 725 CB ALA A 53 -18.818 -6.610 -2.975 1.00 2.94 C ATOM 0 H ALA A 53 -17.281 -6.603 -5.046 1.00 1.71 H new ATOM 0 HA ALA A 53 -16.851 -6.549 -2.142 1.00 2.11 H new ATOM 0 HB1 ALA A 53 -19.285 -6.976 -2.061 1.00 2.94 H new ATOM 0 HB2 ALA A 53 -18.897 -5.524 -3.014 1.00 2.94 H new ATOM 0 HB3 ALA A 53 -19.324 -7.042 -3.839 1.00 2.94 H new ATOM 731 N GLY A 54 -16.793 -9.181 -3.922 1.00 2.23 N ATOM 732 CA GLY A 54 -16.626 -10.623 -3.901 1.00 2.81 C ATOM 733 C GLY A 54 -15.374 -11.051 -3.159 1.00 2.91 C ATOM 734 O GLY A 54 -14.360 -11.384 -3.775 1.00 3.50 O ATOM 0 H GLY A 54 -16.566 -8.739 -4.813 1.00 2.23 H new ATOM 0 HA2 GLY A 54 -17.497 -11.080 -3.431 1.00 2.81 H new ATOM 0 HA3 GLY A 54 -16.584 -10.996 -4.924 1.00 2.81 H new ATOM 738 N SER A 55 -15.448 -11.035 -1.837 1.00 2.88 N ATOM 739 CA SER A 55 -14.331 -11.411 -0.987 1.00 3.27 C ATOM 740 C SER A 55 -14.852 -11.684 0.424 1.00 2.84 C ATOM 741 O SER A 55 -16.061 -11.831 0.613 1.00 3.08 O ATOM 742 CB SER A 55 -13.282 -10.289 -0.977 1.00 4.15 C ATOM 743 OG SER A 55 -12.086 -10.701 -0.337 1.00 4.90 O ATOM 0 H SER A 55 -16.286 -10.761 -1.324 1.00 2.88 H new ATOM 0 HA SER A 55 -13.856 -12.314 -1.371 1.00 3.27 H new ATOM 0 HB2 SER A 55 -13.062 -9.986 -2.001 1.00 4.15 H new ATOM 0 HB3 SER A 55 -13.687 -9.416 -0.466 1.00 4.15 H new ATOM 0 HG SER A 55 -11.319 -10.494 -0.911 1.00 4.90 H new ATOM 749 N SER A 56 -13.953 -11.761 1.401 1.00 2.68 N ATOM 750 CA SER A 56 -14.343 -11.973 2.791 1.00 2.71 C ATOM 751 C SER A 56 -15.295 -10.866 3.245 1.00 2.12 C ATOM 752 O SER A 56 -16.483 -11.106 3.473 1.00 2.50 O ATOM 753 CB SER A 56 -13.099 -12.005 3.678 1.00 3.33 C ATOM 754 OG SER A 56 -12.124 -12.890 3.151 1.00 4.06 O ATOM 0 H SER A 56 -12.947 -11.679 1.255 1.00 2.68 H new ATOM 0 HA SER A 56 -14.860 -12.929 2.876 1.00 2.71 H new ATOM 0 HB2 SER A 56 -12.680 -11.002 3.759 1.00 3.33 H new ATOM 0 HB3 SER A 56 -13.374 -12.318 4.685 1.00 3.33 H new ATOM 0 HG SER A 56 -11.336 -12.893 3.734 1.00 4.06 H new ATOM 760 N ASP A 57 -14.772 -9.652 3.353 1.00 1.64 N ATOM 761 CA ASP A 57 -15.596 -8.484 3.629 1.00 1.50 C ATOM 762 C ASP A 57 -15.489 -7.507 2.473 1.00 1.07 C ATOM 763 O ASP A 57 -16.418 -7.350 1.683 1.00 1.44 O ATOM 764 CB ASP A 57 -15.179 -7.810 4.942 1.00 2.15 C ATOM 765 CG ASP A 57 -15.887 -6.486 5.169 1.00 2.62 C ATOM 766 OD1 ASP A 57 -17.130 -6.483 5.299 1.00 3.12 O ATOM 767 OD2 ASP A 57 -15.203 -5.443 5.220 1.00 3.13 O ATOM 0 H ASP A 57 -13.777 -9.451 3.253 1.00 1.64 H new ATOM 0 HA ASP A 57 -16.632 -8.805 3.738 1.00 1.50 H new ATOM 0 HB2 ASP A 57 -15.394 -8.480 5.774 1.00 2.15 H new ATOM 0 HB3 ASP A 57 -14.102 -7.645 4.935 1.00 2.15 H new ATOM 772 N ALA A 58 -14.341 -6.871 2.374 1.00 0.67 N ATOM 773 CA ALA A 58 -14.039 -6.002 1.248 1.00 0.66 C ATOM 774 C ALA A 58 -12.807 -6.509 0.517 1.00 0.60 C ATOM 775 O ALA A 58 -12.574 -6.192 -0.651 1.00 0.83 O ATOM 776 CB ALA A 58 -13.840 -4.570 1.721 1.00 0.99 C ATOM 0 H ALA A 58 -13.593 -6.938 3.064 1.00 0.67 H new ATOM 0 HA ALA A 58 -14.880 -6.014 0.555 1.00 0.66 H new ATOM 0 HB1 ALA A 58 -13.615 -3.932 0.866 1.00 0.99 H new ATOM 0 HB2 ALA A 58 -14.750 -4.218 2.207 1.00 0.99 H new ATOM 0 HB3 ALA A 58 -13.013 -4.533 2.430 1.00 0.99 H new ATOM 782 N CYS A 59 -12.034 -7.317 1.220 1.00 0.45 N ATOM 783 CA CYS A 59 -10.808 -7.880 0.685 1.00 0.54 C ATOM 784 C CYS A 59 -10.298 -8.977 1.619 1.00 0.55 C ATOM 785 O CYS A 59 -10.936 -9.277 2.630 1.00 0.74 O ATOM 786 CB CYS A 59 -9.766 -6.779 0.525 1.00 0.73 C ATOM 787 SG CYS A 59 -9.036 -6.212 2.087 1.00 0.74 S ATOM 0 H CYS A 59 -12.239 -7.601 2.178 1.00 0.45 H new ATOM 0 HA CYS A 59 -11.001 -8.319 -0.294 1.00 0.54 H new ATOM 0 HB2 CYS A 59 -8.969 -7.140 -0.125 1.00 0.73 H new ATOM 0 HB3 CYS A 59 -10.227 -5.929 0.023 1.00 0.73 H new ATOM 792 N SER A 60 -9.161 -9.579 1.285 1.00 0.64 N ATOM 793 CA SER A 60 -8.641 -10.697 2.064 1.00 0.86 C ATOM 794 C SER A 60 -7.325 -10.348 2.759 1.00 0.71 C ATOM 795 O SER A 60 -6.638 -11.230 3.281 1.00 1.05 O ATOM 796 CB SER A 60 -8.454 -11.913 1.152 1.00 1.24 C ATOM 797 OG SER A 60 -7.709 -11.570 -0.005 1.00 2.14 O ATOM 0 H SER A 60 -8.585 -9.314 0.486 1.00 0.64 H new ATOM 0 HA SER A 60 -9.365 -10.929 2.845 1.00 0.86 H new ATOM 0 HB2 SER A 60 -7.942 -12.706 1.697 1.00 1.24 H new ATOM 0 HB3 SER A 60 -9.428 -12.306 0.859 1.00 1.24 H new ATOM 0 HG SER A 60 -7.601 -12.362 -0.571 1.00 2.14 H new ATOM 803 N ALA A 61 -6.977 -9.067 2.776 1.00 0.38 N ATOM 804 CA ALA A 61 -5.737 -8.629 3.405 1.00 0.32 C ATOM 805 C ALA A 61 -5.972 -7.388 4.275 1.00 0.32 C ATOM 806 O ALA A 61 -7.060 -7.214 4.827 1.00 0.54 O ATOM 807 CB ALA A 61 -4.672 -8.371 2.345 1.00 0.38 C ATOM 0 H ALA A 61 -7.532 -8.317 2.364 1.00 0.38 H new ATOM 0 HA ALA A 61 -5.379 -9.423 4.060 1.00 0.32 H new ATOM 0 HB1 ALA A 61 -3.751 -8.044 2.827 1.00 0.38 H new ATOM 0 HB2 ALA A 61 -4.484 -9.288 1.787 1.00 0.38 H new ATOM 0 HB3 ALA A 61 -5.019 -7.595 1.662 1.00 0.38 H new ATOM 813 N THR A 62 -4.961 -6.537 4.399 1.00 0.22 N ATOM 814 CA THR A 62 -5.052 -5.353 5.244 1.00 0.19 C ATOM 815 C THR A 62 -5.633 -4.169 4.470 1.00 0.18 C ATOM 816 O THR A 62 -5.229 -3.896 3.341 1.00 0.20 O ATOM 817 CB THR A 62 -3.658 -4.976 5.787 1.00 0.22 C ATOM 818 OG1 THR A 62 -3.028 -6.135 6.347 1.00 0.29 O ATOM 819 CG2 THR A 62 -3.746 -3.889 6.849 1.00 0.24 C ATOM 0 H THR A 62 -4.065 -6.646 3.923 1.00 0.22 H new ATOM 0 HA THR A 62 -5.716 -5.587 6.076 1.00 0.19 H new ATOM 0 HB THR A 62 -3.068 -4.593 4.954 1.00 0.22 H new ATOM 0 HG1 THR A 62 -2.142 -5.893 6.689 1.00 0.29 H new ATOM 0 HG21 THR A 62 -2.745 -3.649 7.208 1.00 0.24 H new ATOM 0 HG22 THR A 62 -4.201 -2.996 6.419 1.00 0.24 H new ATOM 0 HG23 THR A 62 -4.355 -4.242 7.681 1.00 0.24 H new ATOM 827 N ALA A 63 -6.567 -3.460 5.086 1.00 0.19 N ATOM 828 CA ALA A 63 -7.196 -2.315 4.448 1.00 0.20 C ATOM 829 C ALA A 63 -6.356 -1.072 4.675 1.00 0.17 C ATOM 830 O ALA A 63 -6.012 -0.740 5.811 1.00 0.19 O ATOM 831 CB ALA A 63 -8.604 -2.107 4.989 1.00 0.25 C ATOM 0 H ALA A 63 -6.906 -3.658 6.027 1.00 0.19 H new ATOM 0 HA ALA A 63 -7.266 -2.506 3.377 1.00 0.20 H new ATOM 0 HB1 ALA A 63 -9.058 -1.246 4.499 1.00 0.25 H new ATOM 0 HB2 ALA A 63 -9.204 -2.995 4.792 1.00 0.25 H new ATOM 0 HB3 ALA A 63 -8.559 -1.931 6.064 1.00 0.25 H new ATOM 837 N VAL A 64 -6.020 -0.387 3.596 1.00 0.14 N ATOM 838 CA VAL A 64 -5.149 0.772 3.676 1.00 0.13 C ATOM 839 C VAL A 64 -5.619 1.891 2.760 1.00 0.14 C ATOM 840 O VAL A 64 -6.555 1.730 1.974 1.00 0.21 O ATOM 841 CB VAL A 64 -3.697 0.411 3.319 1.00 0.15 C ATOM 842 CG1 VAL A 64 -3.017 -0.320 4.467 1.00 0.14 C ATOM 843 CG2 VAL A 64 -3.668 -0.430 2.058 1.00 0.19 C ATOM 0 H VAL A 64 -6.337 -0.614 2.654 1.00 0.14 H new ATOM 0 HA VAL A 64 -5.190 1.117 4.709 1.00 0.13 H new ATOM 0 HB VAL A 64 -3.146 1.334 3.140 1.00 0.15 H new ATOM 0 HG11 VAL A 64 -1.992 -0.563 4.187 1.00 0.14 H new ATOM 0 HG12 VAL A 64 -3.010 0.317 5.351 1.00 0.14 H new ATOM 0 HG13 VAL A 64 -3.561 -1.239 4.686 1.00 0.14 H new ATOM 0 HG21 VAL A 64 -2.636 -0.681 1.812 1.00 0.19 H new ATOM 0 HG22 VAL A 64 -4.236 -1.346 2.219 1.00 0.19 H new ATOM 0 HG23 VAL A 64 -4.110 0.132 1.236 1.00 0.19 H new ATOM 853 N CYS A 65 -4.952 3.021 2.875 1.00 0.17 N ATOM 854 CA CYS A 65 -5.287 4.203 2.113 1.00 0.17 C ATOM 855 C CYS A 65 -3.999 4.915 1.699 1.00 0.13 C ATOM 856 O CYS A 65 -3.343 5.552 2.523 1.00 0.14 O ATOM 857 CB CYS A 65 -6.167 5.113 2.977 1.00 0.23 C ATOM 858 SG CYS A 65 -6.828 6.582 2.132 1.00 0.39 S ATOM 0 H CYS A 65 -4.158 3.144 3.504 1.00 0.17 H new ATOM 0 HA CYS A 65 -5.837 3.937 1.211 1.00 0.17 H new ATOM 0 HB2 CYS A 65 -7.003 4.527 3.359 1.00 0.23 H new ATOM 0 HB3 CYS A 65 -5.586 5.440 3.840 1.00 0.23 H new ATOM 863 N CYS A 66 -3.622 4.771 0.434 1.00 0.12 N ATOM 864 CA CYS A 66 -2.369 5.331 -0.061 1.00 0.13 C ATOM 865 C CYS A 66 -2.561 6.718 -0.648 1.00 0.16 C ATOM 866 O CYS A 66 -3.649 7.085 -1.083 1.00 0.23 O ATOM 867 CB CYS A 66 -1.734 4.410 -1.100 1.00 0.19 C ATOM 868 SG CYS A 66 -0.501 3.262 -0.416 1.00 0.65 S ATOM 0 H CYS A 66 -4.166 4.271 -0.269 1.00 0.12 H new ATOM 0 HA CYS A 66 -1.700 5.417 0.795 1.00 0.13 H new ATOM 0 HB2 CYS A 66 -2.520 3.834 -1.589 1.00 0.19 H new ATOM 0 HB3 CYS A 66 -1.260 5.019 -1.870 1.00 0.19 H new ATOM 873 N SER A 67 -1.482 7.485 -0.650 1.00 0.24 N ATOM 874 CA SER A 67 -1.513 8.850 -1.139 1.00 0.29 C ATOM 875 C SER A 67 -0.825 8.957 -2.497 1.00 0.32 C ATOM 876 O SER A 67 -0.972 9.952 -3.205 1.00 0.41 O ATOM 877 CB SER A 67 -0.835 9.760 -0.122 1.00 0.35 C ATOM 878 OG SER A 67 -1.300 9.478 1.191 1.00 1.15 O ATOM 0 H SER A 67 -0.568 7.180 -0.315 1.00 0.24 H new ATOM 0 HA SER A 67 -2.550 9.160 -1.269 1.00 0.29 H new ATOM 0 HB2 SER A 67 0.245 9.624 -0.168 1.00 0.35 H new ATOM 0 HB3 SER A 67 -1.036 10.803 -0.368 1.00 0.35 H new ATOM 0 HG SER A 67 -0.853 10.070 1.831 1.00 1.15 H new ATOM 884 N ASP A 68 -0.086 7.918 -2.861 1.00 0.30 N ATOM 885 CA ASP A 68 0.643 7.900 -4.125 1.00 0.37 C ATOM 886 C ASP A 68 -0.094 7.022 -5.133 1.00 0.44 C ATOM 887 O ASP A 68 -0.946 6.216 -4.756 1.00 0.57 O ATOM 888 CB ASP A 68 2.064 7.375 -3.912 1.00 0.43 C ATOM 889 CG ASP A 68 3.030 7.842 -4.984 1.00 1.03 C ATOM 890 OD1 ASP A 68 2.959 7.335 -6.119 1.00 1.60 O ATOM 891 OD2 ASP A 68 3.867 8.727 -4.689 1.00 1.52 O ATOM 0 H ASP A 68 0.026 7.074 -2.299 1.00 0.30 H new ATOM 0 HA ASP A 68 0.703 8.917 -4.512 1.00 0.37 H new ATOM 0 HB2 ASP A 68 2.425 7.702 -2.937 1.00 0.43 H new ATOM 0 HB3 ASP A 68 2.045 6.285 -3.896 1.00 0.43 H new ATOM 896 N ASN A 69 0.227 7.185 -6.408 1.00 0.53 N ATOM 897 CA ASN A 69 -0.465 6.464 -7.471 1.00 0.63 C ATOM 898 C ASN A 69 0.511 5.608 -8.284 1.00 0.59 C ATOM 899 O ASN A 69 0.103 4.807 -9.130 1.00 0.64 O ATOM 900 CB ASN A 69 -1.190 7.466 -8.380 1.00 0.84 C ATOM 901 CG ASN A 69 -2.124 6.799 -9.374 1.00 1.67 C ATOM 902 OD1 ASN A 69 -1.732 6.478 -10.497 1.00 2.35 O ATOM 903 ND2 ASN A 69 -3.371 6.599 -8.973 1.00 2.49 N ATOM 0 H ASN A 69 0.963 7.811 -6.734 1.00 0.53 H new ATOM 0 HA ASN A 69 -1.195 5.792 -7.020 1.00 0.63 H new ATOM 0 HB2 ASN A 69 -1.761 8.160 -7.763 1.00 0.84 H new ATOM 0 HB3 ASN A 69 -0.451 8.055 -8.923 1.00 0.84 H new ATOM 0 HD21 ASN A 69 -4.046 6.165 -9.603 1.00 2.49 H new ATOM 0 HD22 ASN A 69 -3.656 6.879 -8.035 1.00 2.49 H new ATOM 910 N ASN A 70 1.802 5.765 -8.011 1.00 0.59 N ATOM 911 CA ASN A 70 2.838 5.074 -8.778 1.00 0.64 C ATOM 912 C ASN A 70 3.058 3.656 -8.264 1.00 0.55 C ATOM 913 O ASN A 70 3.960 3.399 -7.466 1.00 0.86 O ATOM 914 CB ASN A 70 4.155 5.855 -8.737 1.00 0.83 C ATOM 915 CG ASN A 70 4.084 7.162 -9.502 1.00 1.50 C ATOM 916 OD1 ASN A 70 3.747 8.207 -8.943 1.00 2.24 O ATOM 917 ND2 ASN A 70 4.399 7.116 -10.786 1.00 2.27 N ATOM 0 H ASN A 70 2.158 6.363 -7.266 1.00 0.59 H new ATOM 0 HA ASN A 70 2.494 5.014 -9.811 1.00 0.64 H new ATOM 0 HB2 ASN A 70 4.419 6.060 -7.699 1.00 0.83 H new ATOM 0 HB3 ASN A 70 4.952 5.238 -9.153 1.00 0.83 H new ATOM 0 HD21 ASN A 70 4.368 7.966 -11.350 1.00 2.27 H new ATOM 0 HD22 ASN A 70 4.673 6.231 -11.212 1.00 2.27 H new ATOM 924 N VAL A 71 2.228 2.739 -8.731 1.00 0.41 N ATOM 925 CA VAL A 71 2.321 1.347 -8.340 1.00 0.38 C ATOM 926 C VAL A 71 3.216 0.569 -9.303 1.00 0.33 C ATOM 927 O VAL A 71 3.405 0.969 -10.450 1.00 0.38 O ATOM 928 CB VAL A 71 0.923 0.706 -8.297 1.00 0.52 C ATOM 929 CG1 VAL A 71 0.049 1.417 -7.276 1.00 1.10 C ATOM 930 CG2 VAL A 71 0.268 0.727 -9.669 1.00 1.03 C ATOM 0 H VAL A 71 1.475 2.939 -9.389 1.00 0.41 H new ATOM 0 HA VAL A 71 2.763 1.307 -7.344 1.00 0.38 H new ATOM 0 HB VAL A 71 1.035 -0.336 -7.997 1.00 0.52 H new ATOM 0 HG11 VAL A 71 -0.937 0.954 -7.256 1.00 1.10 H new ATOM 0 HG12 VAL A 71 0.506 1.340 -6.289 1.00 1.10 H new ATOM 0 HG13 VAL A 71 -0.049 2.467 -7.550 1.00 1.10 H new ATOM 0 HG21 VAL A 71 -0.719 0.268 -9.608 1.00 1.03 H new ATOM 0 HG22 VAL A 71 0.168 1.758 -10.009 1.00 1.03 H new ATOM 0 HG23 VAL A 71 0.884 0.171 -10.375 1.00 1.03 H new ATOM 940 N SER A 72 3.774 -0.534 -8.823 1.00 0.32 N ATOM 941 CA SER A 72 4.641 -1.378 -9.638 1.00 0.37 C ATOM 942 C SER A 72 3.847 -2.523 -10.253 1.00 0.42 C ATOM 943 O SER A 72 4.402 -3.390 -10.931 1.00 0.55 O ATOM 944 CB SER A 72 5.773 -1.939 -8.780 1.00 0.45 C ATOM 945 OG SER A 72 5.257 -2.756 -7.745 1.00 1.41 O ATOM 0 H SER A 72 3.641 -0.868 -7.868 1.00 0.32 H new ATOM 0 HA SER A 72 5.061 -0.772 -10.441 1.00 0.37 H new ATOM 0 HB2 SER A 72 6.455 -2.519 -9.402 1.00 0.45 H new ATOM 0 HB3 SER A 72 6.351 -1.121 -8.351 1.00 0.45 H new ATOM 0 HG SER A 72 5.996 -3.108 -7.207 1.00 1.41 H new ATOM 951 N GLY A 73 2.544 -2.508 -10.010 1.00 0.39 N ATOM 952 CA GLY A 73 1.675 -3.573 -10.464 1.00 0.48 C ATOM 953 C GLY A 73 0.823 -4.126 -9.348 1.00 0.41 C ATOM 954 O GLY A 73 -0.324 -4.509 -9.578 1.00 0.48 O ATOM 0 H GLY A 73 2.068 -1.765 -9.498 1.00 0.39 H new ATOM 0 HA2 GLY A 73 1.031 -3.200 -11.260 1.00 0.48 H new ATOM 0 HA3 GLY A 73 2.278 -4.375 -10.891 1.00 0.48 H new ATOM 958 N VAL A 74 1.357 -4.146 -8.130 1.00 0.31 N ATOM 959 CA VAL A 74 0.562 -4.541 -6.976 1.00 0.28 C ATOM 960 C VAL A 74 0.854 -3.687 -5.747 1.00 0.22 C ATOM 961 O VAL A 74 0.035 -3.626 -4.841 1.00 0.34 O ATOM 962 CB VAL A 74 0.750 -6.026 -6.588 1.00 0.37 C ATOM 963 CG1 VAL A 74 0.440 -6.939 -7.758 1.00 0.49 C ATOM 964 CG2 VAL A 74 2.145 -6.288 -6.051 1.00 0.38 C ATOM 0 H VAL A 74 2.323 -3.897 -7.920 1.00 0.31 H new ATOM 0 HA VAL A 74 -0.469 -4.386 -7.293 1.00 0.28 H new ATOM 0 HB VAL A 74 0.042 -6.247 -5.790 1.00 0.37 H new ATOM 0 HG11 VAL A 74 0.581 -7.977 -7.457 1.00 0.49 H new ATOM 0 HG12 VAL A 74 -0.593 -6.789 -8.073 1.00 0.49 H new ATOM 0 HG13 VAL A 74 1.109 -6.708 -8.587 1.00 0.49 H new ATOM 0 HG21 VAL A 74 2.242 -7.341 -5.788 1.00 0.38 H new ATOM 0 HG22 VAL A 74 2.882 -6.035 -6.813 1.00 0.38 H new ATOM 0 HG23 VAL A 74 2.315 -5.676 -5.165 1.00 0.38 H new ATOM 974 N ILE A 75 2.014 -3.041 -5.693 1.00 0.18 N ATOM 975 CA ILE A 75 2.381 -2.303 -4.490 1.00 0.17 C ATOM 976 C ILE A 75 1.561 -1.040 -4.321 1.00 0.16 C ATOM 977 O ILE A 75 0.799 -0.646 -5.199 1.00 0.20 O ATOM 978 CB ILE A 75 3.861 -1.891 -4.452 1.00 0.19 C ATOM 979 CG1 ILE A 75 4.175 -0.931 -5.589 1.00 0.20 C ATOM 980 CG2 ILE A 75 4.745 -3.108 -4.523 1.00 0.24 C ATOM 981 CD1 ILE A 75 5.425 -0.112 -5.365 1.00 0.30 C ATOM 0 H ILE A 75 2.700 -3.012 -6.447 1.00 0.18 H new ATOM 0 HA ILE A 75 2.181 -3.004 -3.680 1.00 0.17 H new ATOM 0 HB ILE A 75 4.056 -1.379 -3.510 1.00 0.19 H new ATOM 0 HG12 ILE A 75 4.284 -1.499 -6.513 1.00 0.20 H new ATOM 0 HG13 ILE A 75 3.330 -0.257 -5.728 1.00 0.20 H new ATOM 0 HG21 ILE A 75 5.790 -2.801 -4.495 1.00 0.24 H new ATOM 0 HG22 ILE A 75 4.536 -3.760 -3.675 1.00 0.24 H new ATOM 0 HG23 ILE A 75 4.550 -3.646 -5.451 1.00 0.24 H new ATOM 0 HD11 ILE A 75 5.584 0.549 -6.217 1.00 0.30 H new ATOM 0 HD12 ILE A 75 5.312 0.484 -4.459 1.00 0.30 H new ATOM 0 HD13 ILE A 75 6.281 -0.777 -5.257 1.00 0.30 H new ATOM 993 N ALA A 76 1.756 -0.421 -3.179 1.00 0.15 N ATOM 994 CA ALA A 76 1.121 0.839 -2.847 1.00 0.16 C ATOM 995 C ALA A 76 2.093 1.688 -2.036 1.00 0.14 C ATOM 996 O ALA A 76 2.827 1.159 -1.204 1.00 0.15 O ATOM 997 CB ALA A 76 -0.162 0.583 -2.072 1.00 0.18 C ATOM 0 H ALA A 76 2.366 -0.780 -2.445 1.00 0.15 H new ATOM 0 HA ALA A 76 0.861 1.378 -3.758 1.00 0.16 H new ATOM 0 HB1 ALA A 76 -0.634 1.534 -1.826 1.00 0.18 H new ATOM 0 HB2 ALA A 76 -0.842 -0.013 -2.681 1.00 0.18 H new ATOM 0 HB3 ALA A 76 0.069 0.044 -1.153 1.00 0.18 H new ATOM 1003 N ILE A 77 2.118 2.990 -2.286 1.00 0.15 N ATOM 1004 CA ILE A 77 3.072 3.868 -1.616 1.00 0.16 C ATOM 1005 C ILE A 77 2.361 4.944 -0.796 1.00 0.16 C ATOM 1006 O ILE A 77 1.463 5.632 -1.291 1.00 0.21 O ATOM 1007 CB ILE A 77 4.025 4.540 -2.632 1.00 0.19 C ATOM 1008 CG1 ILE A 77 4.795 3.477 -3.420 1.00 0.21 C ATOM 1009 CG2 ILE A 77 4.990 5.481 -1.924 1.00 0.24 C ATOM 1010 CD1 ILE A 77 5.700 4.048 -4.491 1.00 0.26 C ATOM 0 H ILE A 77 1.495 3.460 -2.942 1.00 0.15 H new ATOM 0 HA ILE A 77 3.657 3.243 -0.941 1.00 0.16 H new ATOM 0 HB ILE A 77 3.427 5.127 -3.329 1.00 0.19 H new ATOM 0 HG12 ILE A 77 5.395 2.887 -2.727 1.00 0.21 H new ATOM 0 HG13 ILE A 77 4.083 2.795 -3.885 1.00 0.21 H new ATOM 0 HG21 ILE A 77 5.651 5.943 -2.657 1.00 0.24 H new ATOM 0 HG22 ILE A 77 4.427 6.256 -1.404 1.00 0.24 H new ATOM 0 HG23 ILE A 77 5.584 4.919 -1.203 1.00 0.24 H new ATOM 0 HD11 ILE A 77 6.212 3.235 -5.006 1.00 0.26 H new ATOM 0 HD12 ILE A 77 5.104 4.614 -5.207 1.00 0.26 H new ATOM 0 HD13 ILE A 77 6.437 4.707 -4.032 1.00 0.26 H new ATOM 1022 N GLY A 78 2.762 5.071 0.464 1.00 0.16 N ATOM 1023 CA GLY A 78 2.194 6.084 1.328 1.00 0.17 C ATOM 1024 C GLY A 78 0.822 5.698 1.828 1.00 0.15 C ATOM 1025 O GLY A 78 -0.131 6.468 1.705 1.00 0.17 O ATOM 0 H GLY A 78 3.474 4.487 0.902 1.00 0.16 H new ATOM 0 HA2 GLY A 78 2.856 6.248 2.178 1.00 0.17 H new ATOM 0 HA3 GLY A 78 2.130 7.028 0.787 1.00 0.17 H new ATOM 1029 N CYS A 79 0.725 4.502 2.390 1.00 0.13 N ATOM 1030 CA CYS A 79 -0.544 3.968 2.848 1.00 0.13 C ATOM 1031 C CYS A 79 -0.735 4.144 4.342 1.00 0.13 C ATOM 1032 O CYS A 79 0.199 3.986 5.125 1.00 0.18 O ATOM 1033 CB CYS A 79 -0.639 2.487 2.495 1.00 0.15 C ATOM 1034 SG CYS A 79 -1.519 2.154 0.939 1.00 0.65 S ATOM 0 H CYS A 79 1.519 3.880 2.540 1.00 0.13 H new ATOM 0 HA CYS A 79 -1.333 4.527 2.345 1.00 0.13 H new ATOM 0 HB2 CYS A 79 0.368 2.075 2.427 1.00 0.15 H new ATOM 0 HB3 CYS A 79 -1.144 1.962 3.306 1.00 0.15 H new ATOM 1039 N LEU A 80 -1.947 4.503 4.723 1.00 0.14 N ATOM 1040 CA LEU A 80 -2.346 4.495 6.118 1.00 0.15 C ATOM 1041 C LEU A 80 -3.338 3.367 6.346 1.00 0.15 C ATOM 1042 O LEU A 80 -4.278 3.200 5.570 1.00 0.15 O ATOM 1043 CB LEU A 80 -2.977 5.822 6.525 1.00 0.19 C ATOM 1044 CG LEU A 80 -2.063 7.043 6.415 1.00 0.23 C ATOM 1045 CD1 LEU A 80 -2.824 8.309 6.778 1.00 0.29 C ATOM 1046 CD2 LEU A 80 -0.845 6.875 7.313 1.00 0.26 C ATOM 0 H LEU A 80 -2.678 4.806 4.079 1.00 0.14 H new ATOM 0 HA LEU A 80 -1.456 4.345 6.730 1.00 0.15 H new ATOM 0 HB2 LEU A 80 -3.858 5.991 5.906 1.00 0.19 H new ATOM 0 HB3 LEU A 80 -3.323 5.740 7.555 1.00 0.19 H new ATOM 0 HG LEU A 80 -1.722 7.131 5.384 1.00 0.23 H new ATOM 0 HD11 LEU A 80 -2.160 9.169 6.695 1.00 0.29 H new ATOM 0 HD12 LEU A 80 -3.667 8.434 6.098 1.00 0.29 H new ATOM 0 HD13 LEU A 80 -3.191 8.232 7.801 1.00 0.29 H new ATOM 0 HD21 LEU A 80 -0.204 7.752 7.224 1.00 0.26 H new ATOM 0 HD22 LEU A 80 -1.168 6.765 8.348 1.00 0.26 H new ATOM 0 HD23 LEU A 80 -0.290 5.987 7.011 1.00 0.26 H new ATOM 1058 N PRO A 81 -3.127 2.566 7.392 1.00 0.15 N ATOM 1059 CA PRO A 81 -4.005 1.441 7.718 1.00 0.17 C ATOM 1060 C PRO A 81 -5.381 1.904 8.178 1.00 0.21 C ATOM 1061 O PRO A 81 -5.513 2.606 9.182 1.00 0.25 O ATOM 1062 CB PRO A 81 -3.276 0.718 8.855 1.00 0.21 C ATOM 1063 CG PRO A 81 -1.900 1.292 8.882 1.00 0.20 C ATOM 1064 CD PRO A 81 -2.020 2.687 8.344 1.00 0.17 C ATOM 0 HA PRO A 81 -4.187 0.807 6.850 1.00 0.17 H new ATOM 0 HB2 PRO A 81 -3.784 0.874 9.807 1.00 0.21 H new ATOM 0 HB3 PRO A 81 -3.248 -0.358 8.681 1.00 0.21 H new ATOM 0 HG2 PRO A 81 -1.500 1.299 9.896 1.00 0.20 H new ATOM 0 HG3 PRO A 81 -1.218 0.697 8.274 1.00 0.20 H new ATOM 0 HD2 PRO A 81 -2.239 3.408 9.131 1.00 0.17 H new ATOM 0 HD3 PRO A 81 -1.101 3.015 7.858 1.00 0.17 H new ATOM 1072 N VAL A 82 -6.404 1.502 7.441 1.00 0.23 N ATOM 1073 CA VAL A 82 -7.760 1.900 7.734 1.00 0.30 C ATOM 1074 C VAL A 82 -8.584 0.708 8.191 1.00 0.39 C ATOM 1075 O VAL A 82 -8.348 -0.426 7.774 1.00 0.42 O ATOM 1076 CB VAL A 82 -8.442 2.556 6.515 1.00 0.25 C ATOM 1077 CG1 VAL A 82 -7.916 3.967 6.294 1.00 0.33 C ATOM 1078 CG2 VAL A 82 -8.249 1.723 5.262 1.00 0.20 C ATOM 0 H VAL A 82 -6.312 0.893 6.628 1.00 0.23 H new ATOM 0 HA VAL A 82 -7.708 2.636 8.536 1.00 0.30 H new ATOM 0 HB VAL A 82 -9.510 2.611 6.727 1.00 0.25 H new ATOM 0 HG11 VAL A 82 -8.411 4.409 5.429 1.00 0.33 H new ATOM 0 HG12 VAL A 82 -8.118 4.573 7.177 1.00 0.33 H new ATOM 0 HG13 VAL A 82 -6.841 3.931 6.117 1.00 0.33 H new ATOM 0 HG21 VAL A 82 -8.741 2.212 4.421 1.00 0.20 H new ATOM 0 HG22 VAL A 82 -7.184 1.624 5.052 1.00 0.20 H new ATOM 0 HG23 VAL A 82 -8.683 0.734 5.412 1.00 0.20 H new ATOM 1088 N THR A 83 -9.523 0.972 9.073 1.00 0.53 N ATOM 1089 CA THR A 83 -10.424 -0.048 9.582 1.00 0.70 C ATOM 1090 C THR A 83 -11.710 0.599 10.081 1.00 1.46 C ATOM 1091 O THR A 83 -11.665 1.607 10.788 1.00 2.07 O ATOM 1092 CB THR A 83 -9.786 -0.858 10.733 1.00 1.31 C ATOM 1093 OG1 THR A 83 -8.517 -1.385 10.324 1.00 1.98 O ATOM 1094 CG2 THR A 83 -10.691 -2.005 11.156 1.00 1.65 C ATOM 0 H THR A 83 -9.687 1.901 9.461 1.00 0.53 H new ATOM 0 HA THR A 83 -10.639 -0.733 8.761 1.00 0.70 H new ATOM 0 HB THR A 83 -9.648 -0.185 11.580 1.00 1.31 H new ATOM 0 HG1 THR A 83 -8.121 -1.895 11.062 1.00 1.98 H new ATOM 0 HG21 THR A 83 -10.220 -2.560 11.967 1.00 1.65 H new ATOM 0 HG22 THR A 83 -11.647 -1.608 11.496 1.00 1.65 H new ATOM 0 HG23 THR A 83 -10.855 -2.671 10.309 1.00 1.65 H new ATOM 1102 N LEU A 84 -12.839 0.007 9.705 1.00 1.87 N ATOM 1103 CA LEU A 84 -14.158 0.500 10.079 1.00 2.80 C ATOM 1104 C LEU A 84 -14.370 1.938 9.612 1.00 3.45 C ATOM 1105 O LEU A 84 -14.345 2.861 10.453 1.00 3.87 O ATOM 1106 CB LEU A 84 -14.363 0.380 11.587 1.00 3.22 C ATOM 1107 CG LEU A 84 -14.431 -1.053 12.107 1.00 3.13 C ATOM 1108 CD1 LEU A 84 -14.528 -1.072 13.623 1.00 3.79 C ATOM 1109 CD2 LEU A 84 -15.604 -1.794 11.492 1.00 3.37 C ATOM 1110 OXT LEU A 84 -14.552 2.140 8.393 1.00 3.91 O ATOM 0 H LEU A 84 -12.864 -0.834 9.128 1.00 1.87 H new ATOM 0 HA LEU A 84 -14.903 -0.118 9.578 1.00 2.80 H new ATOM 0 HB2 LEU A 84 -13.549 0.898 12.093 1.00 3.22 H new ATOM 0 HB3 LEU A 84 -15.285 0.895 11.857 1.00 3.22 H new ATOM 0 HG LEU A 84 -13.512 -1.561 11.815 1.00 3.13 H new ATOM 0 HD11 LEU A 84 -14.575 -2.104 13.972 1.00 3.79 H new ATOM 0 HD12 LEU A 84 -13.651 -0.585 14.050 1.00 3.79 H new ATOM 0 HD13 LEU A 84 -15.427 -0.541 13.937 1.00 3.79 H new ATOM 0 HD21 LEU A 84 -15.633 -2.813 11.877 1.00 3.37 H new ATOM 0 HD22 LEU A 84 -16.532 -1.283 11.748 1.00 3.37 H new ATOM 0 HD23 LEU A 84 -15.491 -1.819 10.408 1.00 3.37 H new TER 1122 LEU A 84