USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 722 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 65 SER OG : rot 180:sc= -0.0463 USER MOD Set 1.2: A 66 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 61 THR OG1 : rot -160:sc= 0.266 USER MOD Set 2.2: A 90 GLN : amide:sc= -1.98 X(o=-1.7,f=-1.8) USER MOD Set 3.1: A 8 HIS : no HD1:sc= -0.135 X(o=-0.13,f=-0.0093) USER MOD Set 3.2: A 10 HIS : no HD1:sc=0.000263 X(o=-0.13,f=-0.19) USER MOD Single : A 1 MET CE :methyl -164:sc= -0.0604 (180deg=-0.385) USER MOD Single : A 1 MET N :NH3+ -175:sc= 0 (180deg=-0.0319) USER MOD Single : A 3 HIS : no HD1:sc= -0.233 X(o=-0.23,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.0039) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.0223 X(o=-0.022,f=-0.00074) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= -0.198 USER MOD Single : A 22 MET CE :methyl -154:sc= -0.124 (180deg=-0.586) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot -80:sc= 0.418 USER MOD Single : A 34 THR OG1 : rot 110:sc= 0.638 USER MOD Single : A 36 GLN : amide:sc= -0.505 X(o=-0.51,f=-0.19) USER MOD Single : A 44 TYR OH : rot 60:sc= -1.75! USER MOD Single : A 45 LYS NZ :NH3+ -134:sc= 0.81 (180deg=0.0196) USER MOD Single : A 53 GLN : amide:sc= -0.063 K(o=-0.063,f=-1) USER MOD Single : A 55 LYS NZ :NH3+ -170:sc= 0.422 (180deg=0.373) USER MOD Single : A 57 GLN : amide:sc= -3.46! C(o=-3.5!,f=-2.3!) USER MOD Single : A 59 SER OG : rot -106:sc= 0.372 USER MOD Single : A 60 CYS SG : rot 11:sc= -3.36! USER MOD Single : A 62 SER OG : rot -156:sc= 0.339 USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 74:sc= 0.931 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 75 GLN : amide:sc= -0.683 K(o=-0.68,f=-0.069) USER MOD Single : A 76 ASN : amide:sc= 0.616 K(o=0.62,f=0) USER MOD Single : A 77 MET CE :methyl -166:sc= -0.0882 (180deg=-0.362) USER MOD Single : A 79 GLN : amide:sc= -0.129 K(o=-0.13,f=-1) USER MOD Single : A 81 TYR OH : rot 130:sc= 0.256 USER MOD Single : A 92 MET CE :methyl -167:sc= -0.0507 (180deg=-0.287) USER MOD Single : A 96 SER OG : rot -29:sc= 0.28 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 19.344 20.022 26.332 1.00 62.21 N ATOM 2 CA MET A 1 20.343 20.463 27.333 1.00 74.14 C ATOM 3 C MET A 1 21.580 21.042 26.630 1.00 70.22 C ATOM 4 O MET A 1 22.140 20.399 25.733 1.00 50.22 O ATOM 5 CB MET A 1 20.743 19.283 28.261 1.00 14.21 C ATOM 6 CG MET A 1 19.605 18.769 29.158 1.00 71.34 C ATOM 7 SD MET A 1 19.010 20.031 30.313 1.00 4.35 S ATOM 8 CE MET A 1 20.465 20.338 31.323 1.00 65.51 C ATOM 0 H1 MET A 1 18.479 19.711 26.818 1.00 62.21 H new ATOM 0 H2 MET A 1 19.118 20.813 25.695 1.00 62.21 H new ATOM 0 H3 MET A 1 19.733 19.232 25.778 1.00 62.21 H new ATOM 0 HA MET A 1 19.897 21.244 27.949 1.00 74.14 H new ATOM 0 HB2 MET A 1 21.105 18.459 27.646 1.00 14.21 H new ATOM 0 HB3 MET A 1 21.573 19.598 28.893 1.00 14.21 H new ATOM 0 HG2 MET A 1 18.777 18.433 28.533 1.00 71.34 H new ATOM 0 HG3 MET A 1 19.952 17.902 29.719 1.00 71.34 H new ATOM 0 HE1 MET A 1 20.173 20.865 32.232 1.00 65.51 H new ATOM 0 HE2 MET A 1 20.931 19.389 31.588 1.00 65.51 H new ATOM 0 HE3 MET A 1 21.175 20.947 30.763 1.00 65.51 H new ATOM 20 N GLY A 2 21.990 22.259 27.045 1.00 5.05 N ATOM 21 CA GLY A 2 23.188 22.926 26.529 1.00 63.41 C ATOM 22 C GLY A 2 23.023 23.445 25.101 1.00 71.43 C ATOM 23 O GLY A 2 22.700 24.626 24.893 1.00 33.31 O ATOM 0 H GLY A 2 21.493 22.803 27.750 1.00 5.05 H new ATOM 0 HA2 GLY A 2 23.442 23.759 27.184 1.00 63.41 H new ATOM 0 HA3 GLY A 2 24.025 22.229 26.560 1.00 63.41 H new ATOM 27 N HIS A 3 23.233 22.540 24.131 1.00 3.34 N ATOM 28 CA HIS A 3 23.194 22.852 22.694 1.00 23.33 C ATOM 29 C HIS A 3 21.770 23.223 22.233 1.00 72.53 C ATOM 30 O HIS A 3 20.863 22.382 22.245 1.00 21.01 O ATOM 31 CB HIS A 3 23.720 21.643 21.883 1.00 31.43 C ATOM 32 CG HIS A 3 23.719 21.838 20.381 1.00 61.22 C ATOM 33 ND1 HIS A 3 22.862 21.170 19.539 1.00 43.13 N ATOM 34 CD2 HIS A 3 24.486 22.621 19.583 1.00 44.05 C ATOM 35 CE1 HIS A 3 23.102 21.528 18.296 1.00 32.44 C ATOM 36 NE2 HIS A 3 24.080 22.410 18.294 1.00 72.34 N ATOM 0 H HIS A 3 23.437 21.560 24.326 1.00 3.34 H new ATOM 0 HA HIS A 3 23.834 23.716 22.517 1.00 23.33 H new ATOM 0 HB2 HIS A 3 24.737 21.421 22.206 1.00 31.43 H new ATOM 0 HB3 HIS A 3 23.112 20.770 22.123 1.00 31.43 H new ATOM 0 HD2 HIS A 3 25.272 23.288 19.905 1.00 44.05 H new ATOM 0 HE1 HIS A 3 22.584 21.160 17.423 1.00 32.44 H new ATOM 0 HE2 HIS A 3 24.471 22.862 17.467 1.00 72.34 H new ATOM 45 N HIS A 4 21.596 24.491 21.837 1.00 61.04 N ATOM 46 CA HIS A 4 20.338 25.002 21.276 1.00 51.43 C ATOM 47 C HIS A 4 20.176 24.478 19.838 1.00 73.03 C ATOM 48 O HIS A 4 21.088 24.621 19.014 1.00 54.12 O ATOM 49 CB HIS A 4 20.317 26.557 21.286 1.00 60.24 C ATOM 50 CG HIS A 4 20.447 27.172 22.657 1.00 55.41 C ATOM 51 ND1 HIS A 4 19.371 27.616 23.390 1.00 61.01 N ATOM 52 CD2 HIS A 4 21.538 27.414 23.422 1.00 13.52 C ATOM 53 CE1 HIS A 4 19.795 28.101 24.544 1.00 60.42 C ATOM 54 NE2 HIS A 4 21.107 27.983 24.587 1.00 55.31 N ATOM 0 H HIS A 4 22.330 25.197 21.897 1.00 61.04 H new ATOM 0 HA HIS A 4 19.508 24.652 21.890 1.00 51.43 H new ATOM 0 HB2 HIS A 4 21.129 26.923 20.658 1.00 60.24 H new ATOM 0 HB3 HIS A 4 19.386 26.899 20.834 1.00 60.24 H new ATOM 0 HD2 HIS A 4 22.563 27.197 23.159 1.00 13.52 H new ATOM 0 HE1 HIS A 4 19.173 28.522 25.320 1.00 60.42 H new ATOM 0 HE2 HIS A 4 21.703 28.270 25.363 1.00 55.31 H new ATOM 63 N HIS A 5 19.016 23.865 19.561 1.00 34.53 N ATOM 64 CA HIS A 5 18.685 23.301 18.245 1.00 23.03 C ATOM 65 C HIS A 5 17.160 23.178 18.119 1.00 10.34 C ATOM 66 O HIS A 5 16.538 22.421 18.878 1.00 15.43 O ATOM 67 CB HIS A 5 19.359 21.911 18.068 1.00 74.32 C ATOM 68 CG HIS A 5 19.134 21.269 16.717 1.00 53.14 C ATOM 69 ND1 HIS A 5 18.150 20.337 16.480 1.00 40.13 N ATOM 70 CD2 HIS A 5 19.784 21.425 15.537 1.00 12.03 C ATOM 71 CE1 HIS A 5 18.207 19.948 15.220 1.00 12.24 C ATOM 72 NE2 HIS A 5 19.189 20.596 14.626 1.00 41.24 N ATOM 0 H HIS A 5 18.274 23.746 20.251 1.00 34.53 H new ATOM 0 HA HIS A 5 19.059 23.961 17.463 1.00 23.03 H new ATOM 0 HB2 HIS A 5 20.431 22.019 18.230 1.00 74.32 H new ATOM 0 HB3 HIS A 5 18.985 21.240 18.841 1.00 74.32 H new ATOM 0 HD2 HIS A 5 20.619 22.084 15.351 1.00 12.03 H new ATOM 0 HE1 HIS A 5 17.558 19.221 14.754 1.00 12.24 H new ATOM 0 HE2 HIS A 5 19.461 20.496 13.648 1.00 41.24 H new ATOM 81 N HIS A 6 16.562 23.937 17.179 1.00 0.44 N ATOM 82 CA HIS A 6 15.111 23.864 16.908 1.00 43.23 C ATOM 83 C HIS A 6 14.755 22.541 16.208 1.00 63.23 C ATOM 84 O HIS A 6 15.597 21.923 15.540 1.00 65.32 O ATOM 85 CB HIS A 6 14.609 25.076 16.063 1.00 12.14 C ATOM 86 CG HIS A 6 15.168 25.197 14.655 1.00 4.13 C ATOM 87 ND1 HIS A 6 16.149 26.101 14.310 1.00 71.32 N ATOM 88 CD2 HIS A 6 14.860 24.541 13.505 1.00 41.40 C ATOM 89 CE1 HIS A 6 16.417 25.995 13.026 1.00 21.43 C ATOM 90 NE2 HIS A 6 15.644 25.058 12.515 1.00 70.01 N ATOM 0 H HIS A 6 17.061 24.608 16.594 1.00 0.44 H new ATOM 0 HA HIS A 6 14.603 23.904 17.872 1.00 43.23 H new ATOM 0 HB2 HIS A 6 13.523 25.018 15.995 1.00 12.14 H new ATOM 0 HB3 HIS A 6 14.847 25.992 16.605 1.00 12.14 H new ATOM 0 HD2 HIS A 6 14.128 23.754 13.395 1.00 41.40 H new ATOM 0 HE1 HIS A 6 17.147 26.577 12.483 1.00 21.43 H new ATOM 0 HE2 HIS A 6 15.633 24.766 11.538 1.00 70.01 H new ATOM 99 N HIS A 7 13.497 22.126 16.371 1.00 54.44 N ATOM 100 CA HIS A 7 12.926 20.978 15.650 1.00 62.03 C ATOM 101 C HIS A 7 12.577 21.418 14.223 1.00 43.52 C ATOM 102 O HIS A 7 12.179 22.574 14.023 1.00 21.23 O ATOM 103 CB HIS A 7 11.655 20.455 16.370 1.00 73.43 C ATOM 104 CG HIS A 7 11.872 20.070 17.812 1.00 42.24 C ATOM 105 ND1 HIS A 7 12.087 18.776 18.227 1.00 53.20 N ATOM 106 CD2 HIS A 7 11.886 20.826 18.937 1.00 22.51 C ATOM 107 CE1 HIS A 7 12.220 18.753 19.539 1.00 14.14 C ATOM 108 NE2 HIS A 7 12.102 19.984 19.995 1.00 13.44 N ATOM 0 H HIS A 7 12.840 22.576 17.008 1.00 54.44 H new ATOM 0 HA HIS A 7 13.656 20.169 15.624 1.00 62.03 H new ATOM 0 HB2 HIS A 7 10.883 21.223 16.324 1.00 73.43 H new ATOM 0 HB3 HIS A 7 11.275 19.589 15.828 1.00 73.43 H new ATOM 0 HD2 HIS A 7 11.751 21.896 18.989 1.00 22.51 H new ATOM 0 HE1 HIS A 7 12.396 17.873 20.139 1.00 14.14 H new ATOM 0 HE2 HIS A 7 12.162 20.263 20.974 1.00 13.44 H new ATOM 117 N HIS A 8 12.754 20.513 13.237 1.00 25.24 N ATOM 118 CA HIS A 8 12.349 20.782 11.843 1.00 24.34 C ATOM 119 C HIS A 8 10.829 21.069 11.801 1.00 12.13 C ATOM 120 O HIS A 8 10.024 20.233 12.236 1.00 55.21 O ATOM 121 CB HIS A 8 12.760 19.621 10.894 1.00 3.44 C ATOM 122 CG HIS A 8 12.151 18.271 11.194 1.00 34.44 C ATOM 123 ND1 HIS A 8 11.311 17.610 10.326 1.00 1.01 N ATOM 124 CD2 HIS A 8 12.311 17.439 12.253 1.00 24.14 C ATOM 125 CE1 HIS A 8 10.982 16.445 10.836 1.00 44.33 C ATOM 126 NE2 HIS A 8 11.573 16.314 12.007 1.00 42.41 N ATOM 0 H HIS A 8 13.173 19.594 13.381 1.00 25.24 H new ATOM 0 HA HIS A 8 12.875 21.664 11.479 1.00 24.34 H new ATOM 0 HB2 HIS A 8 12.492 19.900 9.875 1.00 3.44 H new ATOM 0 HB3 HIS A 8 13.845 19.522 10.923 1.00 3.44 H new ATOM 0 HD2 HIS A 8 12.911 17.630 13.130 1.00 24.14 H new ATOM 0 HE1 HIS A 8 10.335 15.715 10.373 1.00 44.33 H new ATOM 0 HE2 HIS A 8 11.493 15.508 12.627 1.00 42.41 H new ATOM 135 N SER A 9 10.476 22.282 11.316 1.00 65.23 N ATOM 136 CA SER A 9 9.137 22.882 11.455 1.00 14.41 C ATOM 137 C SER A 9 8.018 21.960 10.938 1.00 12.31 C ATOM 138 O SER A 9 7.846 21.781 9.722 1.00 52.41 O ATOM 139 CB SER A 9 9.100 24.240 10.717 1.00 60.00 C ATOM 140 OG SER A 9 10.091 25.125 11.221 1.00 44.35 O ATOM 0 H SER A 9 11.129 22.879 10.808 1.00 65.23 H new ATOM 0 HA SER A 9 8.952 23.032 12.519 1.00 14.41 H new ATOM 0 HB2 SER A 9 9.258 24.082 9.650 1.00 60.00 H new ATOM 0 HB3 SER A 9 8.114 24.691 10.829 1.00 60.00 H new ATOM 0 HG SER A 9 10.047 25.976 10.736 1.00 44.35 H new ATOM 146 N HIS A 10 7.298 21.343 11.887 1.00 53.11 N ATOM 147 CA HIS A 10 6.157 20.476 11.603 1.00 45.41 C ATOM 148 C HIS A 10 4.952 21.351 11.187 1.00 64.04 C ATOM 149 O HIS A 10 4.135 21.767 12.018 1.00 53.21 O ATOM 150 CB HIS A 10 5.856 19.582 12.839 1.00 31.35 C ATOM 151 CG HIS A 10 7.019 18.694 13.251 1.00 43.21 C ATOM 152 ND1 HIS A 10 7.616 18.740 14.494 1.00 45.24 N ATOM 153 CD2 HIS A 10 7.687 17.735 12.566 1.00 45.25 C ATOM 154 CE1 HIS A 10 8.594 17.852 14.548 1.00 42.21 C ATOM 155 NE2 HIS A 10 8.656 17.223 13.391 1.00 2.24 N ATOM 0 H HIS A 10 7.498 21.437 12.883 1.00 53.11 H new ATOM 0 HA HIS A 10 6.378 19.803 10.774 1.00 45.41 H new ATOM 0 HB2 HIS A 10 5.583 20.220 13.679 1.00 31.35 H new ATOM 0 HB3 HIS A 10 4.992 18.955 12.620 1.00 31.35 H new ATOM 0 HD2 HIS A 10 7.491 17.428 11.549 1.00 45.25 H new ATOM 0 HE1 HIS A 10 9.235 17.672 15.398 1.00 42.21 H new ATOM 0 HE2 HIS A 10 9.313 16.481 13.150 1.00 2.24 H new ATOM 164 N MET A 11 4.931 21.685 9.886 1.00 41.12 N ATOM 165 CA MET A 11 3.982 22.639 9.271 1.00 70.24 C ATOM 166 C MET A 11 3.333 21.979 8.051 1.00 62.34 C ATOM 167 O MET A 11 3.975 21.146 7.406 1.00 43.40 O ATOM 168 CB MET A 11 4.742 23.931 8.848 1.00 15.34 C ATOM 169 CG MET A 11 3.865 25.020 8.199 1.00 33.11 C ATOM 170 SD MET A 11 2.543 25.588 9.295 1.00 45.32 S ATOM 171 CE MET A 11 1.660 26.754 8.254 1.00 24.43 C ATOM 0 H MET A 11 5.588 21.291 9.213 1.00 41.12 H new ATOM 0 HA MET A 11 3.207 22.910 9.988 1.00 70.24 H new ATOM 0 HB2 MET A 11 5.228 24.353 9.728 1.00 15.34 H new ATOM 0 HB3 MET A 11 5.532 23.657 8.149 1.00 15.34 H new ATOM 0 HG2 MET A 11 4.491 25.868 7.920 1.00 33.11 H new ATOM 0 HG3 MET A 11 3.428 24.630 7.280 1.00 33.11 H new ATOM 0 HE1 MET A 11 0.822 27.176 8.809 1.00 24.43 H new ATOM 0 HE2 MET A 11 2.335 27.555 7.951 1.00 24.43 H new ATOM 0 HE3 MET A 11 1.286 26.240 7.368 1.00 24.43 H new ATOM 181 N GLY A 12 2.061 22.344 7.759 1.00 32.53 N ATOM 182 CA GLY A 12 1.313 21.795 6.621 1.00 5.21 C ATOM 183 C GLY A 12 2.053 21.947 5.291 1.00 23.23 C ATOM 184 O GLY A 12 2.033 23.017 4.673 1.00 32.13 O ATOM 0 H GLY A 12 1.534 23.024 8.307 1.00 32.53 H new ATOM 0 HA2 GLY A 12 1.113 20.739 6.800 1.00 5.21 H new ATOM 0 HA3 GLY A 12 0.347 22.296 6.553 1.00 5.21 H new ATOM 188 N SER A 13 2.720 20.854 4.873 1.00 25.34 N ATOM 189 CA SER A 13 3.619 20.832 3.716 1.00 24.41 C ATOM 190 C SER A 13 3.614 19.443 3.051 1.00 14.23 C ATOM 191 O SER A 13 3.038 18.480 3.582 1.00 24.52 O ATOM 192 CB SER A 13 5.053 21.216 4.179 1.00 14.35 C ATOM 193 OG SER A 13 5.986 21.199 3.110 1.00 13.54 O ATOM 0 H SER A 13 2.644 19.951 5.341 1.00 25.34 H new ATOM 0 HA SER A 13 3.274 21.554 2.976 1.00 24.41 H new ATOM 0 HB2 SER A 13 5.034 22.210 4.626 1.00 14.35 H new ATOM 0 HB3 SER A 13 5.380 20.523 4.955 1.00 14.35 H new ATOM 0 HG SER A 13 6.873 21.448 3.446 1.00 13.54 H new ATOM 199 N GLU A 14 4.274 19.362 1.884 1.00 53.01 N ATOM 200 CA GLU A 14 4.518 18.099 1.157 1.00 3.02 C ATOM 201 C GLU A 14 5.579 17.265 1.908 1.00 13.22 C ATOM 202 O GLU A 14 5.584 16.030 1.846 1.00 11.31 O ATOM 203 CB GLU A 14 5.003 18.437 -0.274 1.00 33.54 C ATOM 204 CG GLU A 14 4.045 19.354 -1.065 1.00 61.41 C ATOM 205 CD GLU A 14 4.671 19.911 -2.357 1.00 51.35 C ATOM 206 OE1 GLU A 14 5.629 20.711 -2.261 1.00 2.43 O ATOM 207 OE2 GLU A 14 4.215 19.562 -3.465 1.00 42.43 O ATOM 0 H GLU A 14 4.659 20.180 1.411 1.00 53.01 H new ATOM 0 HA GLU A 14 3.601 17.513 1.098 1.00 3.02 H new ATOM 0 HB2 GLU A 14 5.979 18.918 -0.211 1.00 33.54 H new ATOM 0 HB3 GLU A 14 5.140 17.509 -0.828 1.00 33.54 H new ATOM 0 HG2 GLU A 14 3.143 18.796 -1.317 1.00 61.41 H new ATOM 0 HG3 GLU A 14 3.739 20.185 -0.429 1.00 61.41 H new ATOM 214 N GLU A 15 6.468 17.985 2.625 1.00 14.12 N ATOM 215 CA GLU A 15 7.509 17.401 3.490 1.00 40.35 C ATOM 216 C GLU A 15 6.891 16.728 4.729 1.00 24.24 C ATOM 217 O GLU A 15 7.413 15.733 5.248 1.00 61.54 O ATOM 218 CB GLU A 15 8.482 18.538 3.923 1.00 72.24 C ATOM 219 CG GLU A 15 9.679 18.097 4.798 1.00 11.15 C ATOM 220 CD GLU A 15 10.584 17.050 4.116 1.00 42.54 C ATOM 221 OE1 GLU A 15 11.125 17.348 3.030 1.00 74.44 O ATOM 222 OE2 GLU A 15 10.771 15.944 4.666 1.00 20.34 O ATOM 0 H GLU A 15 6.481 19.005 2.617 1.00 14.12 H new ATOM 0 HA GLU A 15 8.048 16.632 2.936 1.00 40.35 H new ATOM 0 HB2 GLU A 15 8.869 19.021 3.026 1.00 72.24 H new ATOM 0 HB3 GLU A 15 7.913 19.290 4.470 1.00 72.24 H new ATOM 0 HG2 GLU A 15 10.276 18.973 5.051 1.00 11.15 H new ATOM 0 HG3 GLU A 15 9.303 17.686 5.735 1.00 11.15 H new ATOM 229 N ASP A 16 5.747 17.280 5.159 1.00 21.35 N ATOM 230 CA ASP A 16 5.086 16.928 6.424 1.00 25.32 C ATOM 231 C ASP A 16 4.459 15.518 6.363 1.00 43.24 C ATOM 232 O ASP A 16 4.106 15.021 5.284 1.00 24.42 O ATOM 233 CB ASP A 16 4.009 17.996 6.747 1.00 73.30 C ATOM 234 CG ASP A 16 3.491 17.941 8.193 1.00 2.31 C ATOM 235 OD1 ASP A 16 4.115 18.576 9.076 1.00 23.31 O ATOM 236 OD2 ASP A 16 2.475 17.268 8.460 1.00 64.34 O ATOM 0 H ASP A 16 5.247 17.994 4.629 1.00 21.35 H new ATOM 0 HA ASP A 16 5.833 16.911 7.218 1.00 25.32 H new ATOM 0 HB2 ASP A 16 4.425 18.986 6.558 1.00 73.30 H new ATOM 0 HB3 ASP A 16 3.168 17.868 6.065 1.00 73.30 H new ATOM 241 N ASP A 17 4.295 14.902 7.548 1.00 51.50 N ATOM 242 CA ASP A 17 3.749 13.537 7.704 1.00 64.15 C ATOM 243 C ASP A 17 2.211 13.507 7.576 1.00 71.40 C ATOM 244 O ASP A 17 1.601 12.459 7.780 1.00 3.13 O ATOM 245 CB ASP A 17 4.197 12.942 9.064 1.00 73.54 C ATOM 246 CG ASP A 17 3.587 13.675 10.275 1.00 43.02 C ATOM 247 OD1 ASP A 17 4.063 14.783 10.608 1.00 60.52 O ATOM 248 OD2 ASP A 17 2.624 13.151 10.889 1.00 44.42 O ATOM 0 H ASP A 17 4.540 15.341 8.435 1.00 51.50 H new ATOM 0 HA ASP A 17 4.147 12.925 6.894 1.00 64.15 H new ATOM 0 HB2 ASP A 17 3.915 11.890 9.104 1.00 73.54 H new ATOM 0 HB3 ASP A 17 5.284 12.984 9.132 1.00 73.54 H new ATOM 253 N GLY A 18 1.602 14.669 7.267 1.00 34.05 N ATOM 254 CA GLY A 18 0.196 14.745 6.874 1.00 53.23 C ATOM 255 C GLY A 18 -0.089 13.958 5.596 1.00 40.14 C ATOM 256 O GLY A 18 -1.160 13.356 5.452 1.00 11.24 O ATOM 0 H GLY A 18 2.075 15.572 7.285 1.00 34.05 H new ATOM 0 HA2 GLY A 18 -0.427 14.361 7.682 1.00 53.23 H new ATOM 0 HA3 GLY A 18 -0.082 15.788 6.726 1.00 53.23 H new ATOM 260 N VAL A 19 0.898 13.968 4.678 1.00 42.31 N ATOM 261 CA VAL A 19 0.890 13.135 3.465 1.00 64.34 C ATOM 262 C VAL A 19 0.901 11.644 3.860 1.00 73.41 C ATOM 263 O VAL A 19 0.065 10.869 3.405 1.00 21.32 O ATOM 264 CB VAL A 19 2.124 13.460 2.539 1.00 14.15 C ATOM 265 CG1 VAL A 19 2.150 12.561 1.274 1.00 0.50 C ATOM 266 CG2 VAL A 19 2.139 14.957 2.142 1.00 0.44 C ATOM 0 H VAL A 19 1.726 14.558 4.760 1.00 42.31 H new ATOM 0 HA VAL A 19 -0.017 13.357 2.903 1.00 64.34 H new ATOM 0 HB VAL A 19 3.024 13.244 3.115 1.00 14.15 H new ATOM 0 HG11 VAL A 19 3.016 12.817 0.663 1.00 0.50 H new ATOM 0 HG12 VAL A 19 2.213 11.515 1.573 1.00 0.50 H new ATOM 0 HG13 VAL A 19 1.239 12.719 0.697 1.00 0.50 H new ATOM 0 HG21 VAL A 19 3.000 15.155 1.503 1.00 0.44 H new ATOM 0 HG22 VAL A 19 1.223 15.200 1.603 1.00 0.44 H new ATOM 0 HG23 VAL A 19 2.204 15.571 3.040 1.00 0.44 H new ATOM 276 N VAL A 20 1.839 11.290 4.751 1.00 60.01 N ATOM 277 CA VAL A 20 1.989 9.921 5.293 1.00 72.35 C ATOM 278 C VAL A 20 0.698 9.468 6.027 1.00 44.24 C ATOM 279 O VAL A 20 0.313 8.301 5.958 1.00 55.53 O ATOM 280 CB VAL A 20 3.238 9.859 6.260 1.00 41.33 C ATOM 281 CG1 VAL A 20 3.434 8.458 6.891 1.00 3.30 C ATOM 282 CG2 VAL A 20 4.526 10.311 5.521 1.00 43.41 C ATOM 0 H VAL A 20 2.524 11.948 5.122 1.00 60.01 H new ATOM 0 HA VAL A 20 2.154 9.234 4.463 1.00 72.35 H new ATOM 0 HB VAL A 20 3.038 10.550 7.079 1.00 41.33 H new ATOM 0 HG11 VAL A 20 4.305 8.472 7.546 1.00 3.30 H new ATOM 0 HG12 VAL A 20 2.549 8.193 7.470 1.00 3.30 H new ATOM 0 HG13 VAL A 20 3.585 7.721 6.102 1.00 3.30 H new ATOM 0 HG21 VAL A 20 5.374 10.261 6.204 1.00 43.41 H new ATOM 0 HG22 VAL A 20 4.707 9.654 4.670 1.00 43.41 H new ATOM 0 HG23 VAL A 20 4.403 11.335 5.169 1.00 43.41 H new ATOM 292 N ALA A 21 0.016 10.429 6.675 1.00 14.23 N ATOM 293 CA ALA A 21 -1.213 10.187 7.456 1.00 70.55 C ATOM 294 C ALA A 21 -2.395 9.822 6.550 1.00 31.01 C ATOM 295 O ALA A 21 -3.138 8.879 6.839 1.00 33.31 O ATOM 296 CB ALA A 21 -1.553 11.419 8.309 1.00 62.04 C ATOM 0 H ALA A 21 0.305 11.407 6.672 1.00 14.23 H new ATOM 0 HA ALA A 21 -1.027 9.339 8.115 1.00 70.55 H new ATOM 0 HB1 ALA A 21 -2.461 11.227 8.880 1.00 62.04 H new ATOM 0 HB2 ALA A 21 -0.731 11.625 8.994 1.00 62.04 H new ATOM 0 HB3 ALA A 21 -1.708 12.280 7.659 1.00 62.04 H new ATOM 302 N MET A 22 -2.567 10.577 5.451 1.00 64.44 N ATOM 303 CA MET A 22 -3.655 10.316 4.489 1.00 72.34 C ATOM 304 C MET A 22 -3.365 9.047 3.658 1.00 20.41 C ATOM 305 O MET A 22 -4.300 8.425 3.155 1.00 44.14 O ATOM 306 CB MET A 22 -3.935 11.544 3.577 1.00 12.24 C ATOM 307 CG MET A 22 -2.778 11.973 2.673 1.00 32.13 C ATOM 308 SD MET A 22 -3.193 13.367 1.602 1.00 0.43 S ATOM 309 CE MET A 22 -4.534 12.697 0.615 1.00 32.00 C ATOM 0 H MET A 22 -1.971 11.368 5.207 1.00 64.44 H new ATOM 0 HA MET A 22 -4.563 10.139 5.065 1.00 72.34 H new ATOM 0 HB2 MET A 22 -4.798 11.319 2.950 1.00 12.24 H new ATOM 0 HB3 MET A 22 -4.211 12.388 4.209 1.00 12.24 H new ATOM 0 HG2 MET A 22 -1.922 12.241 3.292 1.00 32.13 H new ATOM 0 HG3 MET A 22 -2.474 11.127 2.056 1.00 32.13 H new ATOM 0 HE1 MET A 22 -4.577 13.218 -0.341 1.00 32.00 H new ATOM 0 HE2 MET A 22 -4.363 11.635 0.442 1.00 32.00 H new ATOM 0 HE3 MET A 22 -5.477 12.831 1.144 1.00 32.00 H new ATOM 319 N ILE A 23 -2.067 8.660 3.526 1.00 74.05 N ATOM 320 CA ILE A 23 -1.686 7.355 2.945 1.00 40.23 C ATOM 321 C ILE A 23 -2.141 6.228 3.896 1.00 75.22 C ATOM 322 O ILE A 23 -2.741 5.255 3.445 1.00 71.33 O ATOM 323 CB ILE A 23 -0.131 7.239 2.653 1.00 65.20 C ATOM 324 CG1 ILE A 23 0.337 8.314 1.620 1.00 2.03 C ATOM 325 CG2 ILE A 23 0.254 5.819 2.156 1.00 10.32 C ATOM 326 CD1 ILE A 23 1.844 8.388 1.371 1.00 4.15 C ATOM 0 H ILE A 23 -1.275 9.234 3.814 1.00 74.05 H new ATOM 0 HA ILE A 23 -2.186 7.262 1.981 1.00 40.23 H new ATOM 0 HB ILE A 23 0.382 7.421 3.598 1.00 65.20 H new ATOM 0 HG12 ILE A 23 -0.160 8.118 0.670 1.00 2.03 H new ATOM 0 HG13 ILE A 23 -0.004 9.291 1.962 1.00 2.03 H new ATOM 0 HG21 ILE A 23 1.327 5.778 1.967 1.00 10.32 H new ATOM 0 HG22 ILE A 23 -0.008 5.084 2.917 1.00 10.32 H new ATOM 0 HG23 ILE A 23 -0.286 5.597 1.235 1.00 10.32 H new ATOM 0 HD11 ILE A 23 2.054 9.167 0.638 1.00 4.15 H new ATOM 0 HD12 ILE A 23 2.356 8.621 2.305 1.00 4.15 H new ATOM 0 HD13 ILE A 23 2.198 7.429 0.993 1.00 4.15 H new ATOM 338 N LYS A 24 -1.878 6.401 5.222 1.00 42.13 N ATOM 339 CA LYS A 24 -2.332 5.450 6.274 1.00 20.42 C ATOM 340 C LYS A 24 -3.848 5.229 6.195 1.00 61.23 C ATOM 341 O LYS A 24 -4.311 4.095 6.310 1.00 33.45 O ATOM 342 CB LYS A 24 -1.969 5.958 7.705 1.00 53.22 C ATOM 343 CG LYS A 24 -0.469 5.948 8.028 1.00 43.42 C ATOM 344 CD LYS A 24 -0.125 6.525 9.421 1.00 2.01 C ATOM 345 CE LYS A 24 1.389 6.503 9.695 1.00 31.41 C ATOM 346 NZ LYS A 24 1.742 7.153 10.980 1.00 64.40 N ATOM 0 H LYS A 24 -1.351 7.195 5.587 1.00 42.13 H new ATOM 0 HA LYS A 24 -1.814 4.508 6.092 1.00 20.42 H new ATOM 0 HB2 LYS A 24 -2.345 6.975 7.821 1.00 53.22 H new ATOM 0 HB3 LYS A 24 -2.489 5.340 8.438 1.00 53.22 H new ATOM 0 HG2 LYS A 24 -0.101 4.924 7.969 1.00 43.42 H new ATOM 0 HG3 LYS A 24 0.061 6.521 7.267 1.00 43.42 H new ATOM 0 HD2 LYS A 24 -0.491 7.549 9.490 1.00 2.01 H new ATOM 0 HD3 LYS A 24 -0.641 5.950 10.190 1.00 2.01 H new ATOM 0 HE2 LYS A 24 1.738 5.471 9.706 1.00 31.41 H new ATOM 0 HE3 LYS A 24 1.910 7.007 8.881 1.00 31.41 H new ATOM 0 HZ1 LYS A 24 2.772 7.112 11.118 1.00 64.40 H new ATOM 0 HZ2 LYS A 24 1.434 8.146 10.963 1.00 64.40 H new ATOM 0 HZ3 LYS A 24 1.268 6.657 11.762 1.00 64.40 H new ATOM 360 N GLU A 25 -4.592 6.328 5.983 1.00 24.12 N ATOM 361 CA GLU A 25 -6.060 6.315 5.911 1.00 43.43 C ATOM 362 C GLU A 25 -6.548 5.522 4.680 1.00 32.23 C ATOM 363 O GLU A 25 -7.374 4.612 4.812 1.00 61.54 O ATOM 364 CB GLU A 25 -6.594 7.765 5.853 1.00 65.51 C ATOM 365 CG GLU A 25 -8.133 7.869 5.813 1.00 65.34 C ATOM 366 CD GLU A 25 -8.649 9.291 5.555 1.00 33.01 C ATOM 367 OE1 GLU A 25 -8.762 10.080 6.519 1.00 40.41 O ATOM 368 OE2 GLU A 25 -8.952 9.631 4.388 1.00 12.14 O ATOM 0 H GLU A 25 -4.187 7.256 5.856 1.00 24.12 H new ATOM 0 HA GLU A 25 -6.443 5.823 6.805 1.00 43.43 H new ATOM 0 HB2 GLU A 25 -6.226 8.311 6.722 1.00 65.51 H new ATOM 0 HB3 GLU A 25 -6.184 8.257 4.971 1.00 65.51 H new ATOM 0 HG2 GLU A 25 -8.513 7.207 5.034 1.00 65.34 H new ATOM 0 HG3 GLU A 25 -8.537 7.512 6.760 1.00 65.34 H new ATOM 375 N LEU A 26 -6.011 5.882 3.494 1.00 73.12 N ATOM 376 CA LEU A 26 -6.383 5.258 2.203 1.00 5.11 C ATOM 377 C LEU A 26 -6.085 3.748 2.206 1.00 41.30 C ATOM 378 O LEU A 26 -6.833 2.959 1.633 1.00 54.12 O ATOM 379 CB LEU A 26 -5.634 5.944 1.022 1.00 62.44 C ATOM 380 CG LEU A 26 -6.051 7.414 0.691 1.00 73.44 C ATOM 381 CD1 LEU A 26 -5.138 8.023 -0.395 1.00 63.32 C ATOM 382 CD2 LEU A 26 -7.535 7.490 0.273 1.00 23.34 C ATOM 0 H LEU A 26 -5.307 6.614 3.403 1.00 73.12 H new ATOM 0 HA LEU A 26 -7.456 5.396 2.069 1.00 5.11 H new ATOM 0 HB2 LEU A 26 -4.567 5.934 1.243 1.00 62.44 H new ATOM 0 HB3 LEU A 26 -5.780 5.338 0.128 1.00 62.44 H new ATOM 0 HG LEU A 26 -5.928 8.005 1.599 1.00 73.44 H new ATOM 0 HD11 LEU A 26 -5.453 9.045 -0.604 1.00 63.32 H new ATOM 0 HD12 LEU A 26 -4.106 8.026 -0.043 1.00 63.32 H new ATOM 0 HD13 LEU A 26 -5.209 7.428 -1.306 1.00 63.32 H new ATOM 0 HD21 LEU A 26 -7.797 8.524 0.049 1.00 23.34 H new ATOM 0 HD22 LEU A 26 -7.696 6.875 -0.612 1.00 23.34 H new ATOM 0 HD23 LEU A 26 -8.161 7.125 1.087 1.00 23.34 H new ATOM 394 N LEU A 27 -4.983 3.357 2.853 1.00 63.22 N ATOM 395 CA LEU A 27 -4.628 1.945 3.024 1.00 64.43 C ATOM 396 C LEU A 27 -5.626 1.270 3.969 1.00 15.15 C ATOM 397 O LEU A 27 -6.205 0.249 3.626 1.00 53.00 O ATOM 398 CB LEU A 27 -3.184 1.808 3.569 1.00 45.34 C ATOM 399 CG LEU A 27 -2.055 2.294 2.607 1.00 30.12 C ATOM 400 CD1 LEU A 27 -0.687 2.278 3.297 1.00 21.43 C ATOM 401 CD2 LEU A 27 -2.035 1.466 1.306 1.00 35.53 C ATOM 0 H LEU A 27 -4.316 4.006 3.271 1.00 63.22 H new ATOM 0 HA LEU A 27 -4.671 1.451 2.053 1.00 64.43 H new ATOM 0 HB2 LEU A 27 -3.111 2.370 4.500 1.00 45.34 H new ATOM 0 HB3 LEU A 27 -3.004 0.761 3.813 1.00 45.34 H new ATOM 0 HG LEU A 27 -2.275 3.327 2.339 1.00 30.12 H new ATOM 0 HD11 LEU A 27 0.076 2.622 2.599 1.00 21.43 H new ATOM 0 HD12 LEU A 27 -0.709 2.937 4.165 1.00 21.43 H new ATOM 0 HD13 LEU A 27 -0.454 1.263 3.619 1.00 21.43 H new ATOM 0 HD21 LEU A 27 -1.238 1.828 0.656 1.00 35.53 H new ATOM 0 HD22 LEU A 27 -1.860 0.417 1.545 1.00 35.53 H new ATOM 0 HD23 LEU A 27 -2.993 1.567 0.796 1.00 35.53 H new ATOM 413 N ASP A 28 -5.869 1.898 5.126 1.00 41.44 N ATOM 414 CA ASP A 28 -6.618 1.287 6.246 1.00 21.44 C ATOM 415 C ASP A 28 -8.095 1.037 5.904 1.00 45.33 C ATOM 416 O ASP A 28 -8.682 0.055 6.370 1.00 1.03 O ATOM 417 CB ASP A 28 -6.496 2.170 7.513 1.00 23.02 C ATOM 418 CG ASP A 28 -7.043 1.497 8.780 1.00 23.43 C ATOM 419 OD1 ASP A 28 -6.397 0.546 9.270 1.00 30.14 O ATOM 420 OD2 ASP A 28 -8.111 1.906 9.287 1.00 4.55 O ATOM 0 H ASP A 28 -5.553 2.848 5.319 1.00 41.44 H new ATOM 0 HA ASP A 28 -6.171 0.312 6.438 1.00 21.44 H new ATOM 0 HB2 ASP A 28 -5.448 2.425 7.670 1.00 23.02 H new ATOM 0 HB3 ASP A 28 -7.030 3.106 7.348 1.00 23.02 H new ATOM 425 N THR A 29 -8.679 1.924 5.093 1.00 72.00 N ATOM 426 CA THR A 29 -10.098 1.851 4.712 1.00 64.15 C ATOM 427 C THR A 29 -10.307 0.973 3.461 1.00 42.50 C ATOM 428 O THR A 29 -11.185 0.102 3.438 1.00 65.21 O ATOM 429 CB THR A 29 -10.655 3.293 4.455 1.00 63.44 C ATOM 430 OG1 THR A 29 -9.859 3.945 3.451 1.00 14.10 O ATOM 431 CG2 THR A 29 -10.655 4.152 5.738 1.00 61.32 C ATOM 0 H THR A 29 -8.184 2.714 4.680 1.00 72.00 H new ATOM 0 HA THR A 29 -10.643 1.390 5.536 1.00 64.15 H new ATOM 0 HB THR A 29 -11.687 3.191 4.118 1.00 63.44 H new ATOM 0 HG1 THR A 29 -9.037 4.290 3.858 1.00 14.10 H new ATOM 0 HG21 THR A 29 -11.049 5.143 5.512 1.00 61.32 H new ATOM 0 HG22 THR A 29 -11.280 3.677 6.494 1.00 61.32 H new ATOM 0 HG23 THR A 29 -9.636 4.244 6.114 1.00 61.32 H new ATOM 439 N ARG A 30 -9.477 1.201 2.432 1.00 2.53 N ATOM 440 CA ARG A 30 -9.672 0.616 1.089 1.00 41.44 C ATOM 441 C ARG A 30 -8.986 -0.749 0.953 1.00 42.30 C ATOM 442 O ARG A 30 -9.622 -1.750 0.603 1.00 64.52 O ATOM 443 CB ARG A 30 -9.114 1.596 0.023 1.00 4.14 C ATOM 444 CG ARG A 30 -9.693 3.029 0.093 1.00 54.30 C ATOM 445 CD ARG A 30 -8.932 4.014 -0.808 1.00 71.01 C ATOM 446 NE ARG A 30 -8.915 3.579 -2.210 1.00 72.34 N ATOM 447 CZ ARG A 30 -9.552 4.197 -3.220 1.00 52.31 C ATOM 448 NH1 ARG A 30 -10.286 5.279 -2.997 1.00 14.02 N ATOM 449 NH2 ARG A 30 -9.448 3.718 -4.445 1.00 65.42 N ATOM 0 H ARG A 30 -8.651 1.795 2.503 1.00 2.53 H new ATOM 0 HA ARG A 30 -10.740 0.460 0.937 1.00 41.44 H new ATOM 0 HB2 ARG A 30 -8.031 1.651 0.132 1.00 4.14 H new ATOM 0 HB3 ARG A 30 -9.314 1.186 -0.967 1.00 4.14 H new ATOM 0 HG2 ARG A 30 -10.742 3.008 -0.201 1.00 54.30 H new ATOM 0 HG3 ARG A 30 -9.658 3.382 1.124 1.00 54.30 H new ATOM 0 HD2 ARG A 30 -9.395 4.999 -0.740 1.00 71.01 H new ATOM 0 HD3 ARG A 30 -7.908 4.117 -0.448 1.00 71.01 H new ATOM 0 HE ARG A 30 -8.378 2.742 -2.436 1.00 72.34 H new ATOM 0 HH11 ARG A 30 -10.372 5.651 -2.051 1.00 14.02 H new ATOM 0 HH12 ARG A 30 -10.765 5.739 -3.771 1.00 14.02 H new ATOM 0 HH21 ARG A 30 -8.887 2.884 -4.621 1.00 65.42 H new ATOM 0 HH22 ARG A 30 -9.928 4.181 -5.216 1.00 65.42 H new ATOM 463 N ILE A 31 -7.679 -0.783 1.261 1.00 72.14 N ATOM 464 CA ILE A 31 -6.802 -1.914 0.902 1.00 22.13 C ATOM 465 C ILE A 31 -6.805 -2.991 2.000 1.00 2.11 C ATOM 466 O ILE A 31 -7.151 -4.137 1.719 1.00 11.21 O ATOM 467 CB ILE A 31 -5.334 -1.421 0.626 1.00 13.03 C ATOM 468 CG1 ILE A 31 -5.308 -0.280 -0.446 1.00 62.31 C ATOM 469 CG2 ILE A 31 -4.417 -2.595 0.199 1.00 74.24 C ATOM 470 CD1 ILE A 31 -5.842 -0.659 -1.822 1.00 31.15 C ATOM 0 H ILE A 31 -7.202 -0.034 1.762 1.00 72.14 H new ATOM 0 HA ILE A 31 -7.196 -2.358 -0.012 1.00 22.13 H new ATOM 0 HB ILE A 31 -4.947 -1.014 1.560 1.00 13.03 H new ATOM 0 HG12 ILE A 31 -5.889 0.562 -0.069 1.00 62.31 H new ATOM 0 HG13 ILE A 31 -4.281 0.067 -0.557 1.00 62.31 H new ATOM 0 HG21 ILE A 31 -3.410 -2.222 0.016 1.00 74.24 H new ATOM 0 HG22 ILE A 31 -4.388 -3.342 0.993 1.00 74.24 H new ATOM 0 HG23 ILE A 31 -4.807 -3.049 -0.712 1.00 74.24 H new ATOM 0 HD11 ILE A 31 -5.779 0.202 -2.487 1.00 31.15 H new ATOM 0 HD12 ILE A 31 -5.248 -1.477 -2.230 1.00 31.15 H new ATOM 0 HD13 ILE A 31 -6.882 -0.974 -1.735 1.00 31.15 H new ATOM 482 N ARG A 32 -6.446 -2.599 3.245 1.00 55.15 N ATOM 483 CA ARG A 32 -6.234 -3.532 4.376 1.00 35.20 C ATOM 484 C ARG A 32 -7.419 -4.508 4.583 1.00 62.42 C ATOM 485 O ARG A 32 -7.175 -5.706 4.546 1.00 70.21 O ATOM 486 CB ARG A 32 -5.915 -2.802 5.716 1.00 74.41 C ATOM 487 CG ARG A 32 -4.650 -1.924 5.710 1.00 14.00 C ATOM 488 CD ARG A 32 -4.289 -1.389 7.108 1.00 62.45 C ATOM 489 NE ARG A 32 -3.815 -2.461 8.007 1.00 44.11 N ATOM 490 CZ ARG A 32 -3.827 -2.420 9.350 1.00 34.34 C ATOM 491 NH1 ARG A 32 -4.302 -1.372 10.015 1.00 13.51 N ATOM 492 NH2 ARG A 32 -3.343 -3.445 10.021 1.00 33.52 N ATOM 0 H ARG A 32 -6.295 -1.622 3.494 1.00 55.15 H new ATOM 0 HA ARG A 32 -5.358 -4.115 4.090 1.00 35.20 H new ATOM 0 HB2 ARG A 32 -6.768 -2.177 5.981 1.00 74.41 H new ATOM 0 HB3 ARG A 32 -5.812 -3.551 6.501 1.00 74.41 H new ATOM 0 HG2 ARG A 32 -3.813 -2.503 5.320 1.00 14.00 H new ATOM 0 HG3 ARG A 32 -4.799 -1.084 5.032 1.00 14.00 H new ATOM 0 HD2 ARG A 32 -3.516 -0.626 7.015 1.00 62.45 H new ATOM 0 HD3 ARG A 32 -5.162 -0.907 7.548 1.00 62.45 H new ATOM 0 HE ARG A 32 -3.447 -3.306 7.570 1.00 44.11 H new ATOM 0 HH11 ARG A 32 -4.671 -0.569 9.505 1.00 13.51 H new ATOM 0 HH12 ARG A 32 -4.298 -1.371 11.035 1.00 13.51 H new ATOM 0 HH21 ARG A 32 -2.968 -4.251 9.521 1.00 33.52 H new ATOM 0 HH22 ARG A 32 -3.343 -3.433 11.041 1.00 33.52 H new ATOM 506 N PRO A 33 -8.720 -4.041 4.768 1.00 15.04 N ATOM 507 CA PRO A 33 -9.862 -4.956 5.071 1.00 3.50 C ATOM 508 C PRO A 33 -10.073 -6.000 3.959 1.00 64.12 C ATOM 509 O PRO A 33 -10.346 -7.162 4.239 1.00 72.13 O ATOM 510 CB PRO A 33 -11.086 -3.998 5.204 1.00 11.12 C ATOM 511 CG PRO A 33 -10.496 -2.643 5.438 1.00 54.24 C ATOM 512 CD PRO A 33 -9.202 -2.633 4.660 1.00 3.33 C ATOM 0 HA PRO A 33 -9.693 -5.545 5.973 1.00 3.50 H new ATOM 0 HB2 PRO A 33 -11.697 -4.011 4.302 1.00 11.12 H new ATOM 0 HB3 PRO A 33 -11.731 -4.295 6.031 1.00 11.12 H new ATOM 0 HG2 PRO A 33 -11.168 -1.857 5.094 1.00 54.24 H new ATOM 0 HG3 PRO A 33 -10.318 -2.469 6.499 1.00 54.24 H new ATOM 0 HD2 PRO A 33 -9.360 -2.341 3.622 1.00 3.33 H new ATOM 0 HD3 PRO A 33 -8.485 -1.930 5.083 1.00 3.33 H new ATOM 520 N THR A 34 -9.882 -5.561 2.700 1.00 35.53 N ATOM 521 CA THR A 34 -9.991 -6.415 1.503 1.00 41.03 C ATOM 522 C THR A 34 -8.960 -7.564 1.555 1.00 30.13 C ATOM 523 O THR A 34 -9.308 -8.736 1.357 1.00 44.04 O ATOM 524 CB THR A 34 -9.773 -5.546 0.214 1.00 3.33 C ATOM 525 OG1 THR A 34 -10.696 -4.443 0.208 1.00 24.11 O ATOM 526 CG2 THR A 34 -9.935 -6.343 -1.092 1.00 3.02 C ATOM 0 H THR A 34 -9.645 -4.593 2.484 1.00 35.53 H new ATOM 0 HA THR A 34 -10.988 -6.855 1.475 1.00 41.03 H new ATOM 0 HB THR A 34 -8.743 -5.192 0.251 1.00 3.33 H new ATOM 0 HG1 THR A 34 -10.207 -3.606 0.352 1.00 24.11 H new ATOM 0 HG21 THR A 34 -9.771 -5.683 -1.944 1.00 3.02 H new ATOM 0 HG22 THR A 34 -9.207 -7.154 -1.116 1.00 3.02 H new ATOM 0 HG23 THR A 34 -10.942 -6.758 -1.143 1.00 3.02 H new ATOM 534 N VAL A 35 -7.700 -7.204 1.868 1.00 52.33 N ATOM 535 CA VAL A 35 -6.577 -8.156 1.935 1.00 25.24 C ATOM 536 C VAL A 35 -6.707 -9.057 3.192 1.00 52.21 C ATOM 537 O VAL A 35 -6.311 -10.218 3.162 1.00 34.02 O ATOM 538 CB VAL A 35 -5.190 -7.397 1.915 1.00 35.35 C ATOM 539 CG1 VAL A 35 -3.992 -8.371 1.864 1.00 54.30 C ATOM 540 CG2 VAL A 35 -5.114 -6.412 0.721 1.00 40.24 C ATOM 0 H VAL A 35 -7.433 -6.243 2.082 1.00 52.33 H new ATOM 0 HA VAL A 35 -6.614 -8.796 1.053 1.00 25.24 H new ATOM 0 HB VAL A 35 -5.128 -6.837 2.848 1.00 35.35 H new ATOM 0 HG11 VAL A 35 -3.062 -7.803 1.852 1.00 54.30 H new ATOM 0 HG12 VAL A 35 -4.011 -9.017 2.741 1.00 54.30 H new ATOM 0 HG13 VAL A 35 -4.057 -8.981 0.963 1.00 54.30 H new ATOM 0 HG21 VAL A 35 -4.150 -5.903 0.730 1.00 40.24 H new ATOM 0 HG22 VAL A 35 -5.224 -6.963 -0.213 1.00 40.24 H new ATOM 0 HG23 VAL A 35 -5.914 -5.676 0.805 1.00 40.24 H new ATOM 550 N GLN A 36 -7.313 -8.520 4.271 1.00 61.11 N ATOM 551 CA GLN A 36 -7.539 -9.257 5.538 1.00 24.14 C ATOM 552 C GLN A 36 -8.554 -10.393 5.347 1.00 64.34 C ATOM 553 O GLN A 36 -8.379 -11.487 5.904 1.00 43.32 O ATOM 554 CB GLN A 36 -7.988 -8.294 6.673 1.00 53.01 C ATOM 555 CG GLN A 36 -6.868 -7.374 7.212 1.00 10.41 C ATOM 556 CD GLN A 36 -7.353 -6.301 8.193 1.00 10.02 C ATOM 557 OE1 GLN A 36 -8.331 -6.495 8.915 1.00 65.33 O ATOM 558 NE2 GLN A 36 -6.667 -5.171 8.235 1.00 1.43 N ATOM 0 H GLN A 36 -7.661 -7.561 4.291 1.00 61.11 H new ATOM 0 HA GLN A 36 -6.590 -9.705 5.834 1.00 24.14 H new ATOM 0 HB2 GLN A 36 -8.805 -7.674 6.304 1.00 53.01 H new ATOM 0 HB3 GLN A 36 -8.384 -8.885 7.499 1.00 53.01 H new ATOM 0 HG2 GLN A 36 -6.115 -7.988 7.706 1.00 10.41 H new ATOM 0 HG3 GLN A 36 -6.378 -6.885 6.370 1.00 10.41 H new ATOM 0 HE21 GLN A 36 -5.861 -5.041 7.624 1.00 1.43 H new ATOM 0 HE22 GLN A 36 -6.944 -4.430 8.879 1.00 1.43 H new ATOM 567 N GLU A 37 -9.602 -10.131 4.541 1.00 44.10 N ATOM 568 CA GLU A 37 -10.600 -11.155 4.173 1.00 11.34 C ATOM 569 C GLU A 37 -9.972 -12.176 3.208 1.00 41.15 C ATOM 570 O GLU A 37 -10.312 -13.367 3.232 1.00 63.34 O ATOM 571 CB GLU A 37 -11.848 -10.493 3.532 1.00 42.11 C ATOM 572 CG GLU A 37 -12.510 -9.424 4.421 1.00 51.42 C ATOM 573 CD GLU A 37 -13.796 -8.834 3.825 1.00 52.33 C ATOM 574 OE1 GLU A 37 -13.720 -8.187 2.762 1.00 40.15 O ATOM 575 OE2 GLU A 37 -14.885 -9.003 4.419 1.00 34.35 O ATOM 0 H GLU A 37 -9.780 -9.214 4.131 1.00 44.10 H new ATOM 0 HA GLU A 37 -10.919 -11.676 5.076 1.00 11.34 H new ATOM 0 HB2 GLU A 37 -11.560 -10.037 2.585 1.00 42.11 H new ATOM 0 HB3 GLU A 37 -12.581 -11.267 3.303 1.00 42.11 H new ATOM 0 HG2 GLU A 37 -12.739 -9.863 5.392 1.00 51.42 H new ATOM 0 HG3 GLU A 37 -11.798 -8.617 4.595 1.00 51.42 H new ATOM 582 N ASP A 38 -9.043 -11.684 2.368 1.00 61.00 N ATOM 583 CA ASP A 38 -8.262 -12.521 1.436 1.00 73.20 C ATOM 584 C ASP A 38 -7.257 -13.413 2.208 1.00 72.23 C ATOM 585 O ASP A 38 -6.824 -14.451 1.700 1.00 42.04 O ATOM 586 CB ASP A 38 -7.545 -11.599 0.408 1.00 51.11 C ATOM 587 CG ASP A 38 -6.654 -12.347 -0.598 1.00 10.41 C ATOM 588 OD1 ASP A 38 -7.188 -13.143 -1.401 1.00 11.13 O ATOM 589 OD2 ASP A 38 -5.420 -12.145 -0.597 1.00 12.31 O ATOM 0 H ASP A 38 -8.812 -10.692 2.316 1.00 61.00 H new ATOM 0 HA ASP A 38 -8.930 -13.193 0.897 1.00 73.20 H new ATOM 0 HB2 ASP A 38 -8.297 -11.033 -0.141 1.00 51.11 H new ATOM 0 HB3 ASP A 38 -6.934 -10.876 0.949 1.00 51.11 H new ATOM 594 N GLY A 39 -6.924 -13.016 3.452 1.00 41.34 N ATOM 595 CA GLY A 39 -6.106 -13.836 4.358 1.00 1.02 C ATOM 596 C GLY A 39 -4.804 -13.165 4.765 1.00 74.03 C ATOM 597 O GLY A 39 -4.129 -13.632 5.686 1.00 13.31 O ATOM 0 H GLY A 39 -7.214 -12.124 3.852 1.00 41.34 H new ATOM 0 HA2 GLY A 39 -6.685 -14.064 5.253 1.00 1.02 H new ATOM 0 HA3 GLY A 39 -5.881 -14.786 3.874 1.00 1.02 H new ATOM 601 N GLY A 40 -4.440 -12.084 4.066 1.00 43.01 N ATOM 602 CA GLY A 40 -3.238 -11.310 4.384 1.00 14.30 C ATOM 603 C GLY A 40 -3.542 -10.000 5.102 1.00 12.31 C ATOM 604 O GLY A 40 -4.473 -9.938 5.902 1.00 24.24 O ATOM 0 H GLY A 40 -4.967 -11.724 3.270 1.00 43.01 H new ATOM 0 HA2 GLY A 40 -2.579 -11.914 5.007 1.00 14.30 H new ATOM 0 HA3 GLY A 40 -2.697 -11.095 3.462 1.00 14.30 H new ATOM 608 N ASP A 41 -2.722 -8.970 4.809 1.00 50.21 N ATOM 609 CA ASP A 41 -2.867 -7.580 5.312 1.00 33.01 C ATOM 610 C ASP A 41 -1.705 -6.732 4.744 1.00 40.41 C ATOM 611 O ASP A 41 -0.684 -7.287 4.307 1.00 23.02 O ATOM 612 CB ASP A 41 -2.877 -7.527 6.877 1.00 74.15 C ATOM 613 CG ASP A 41 -3.106 -6.120 7.476 1.00 51.12 C ATOM 614 OD1 ASP A 41 -3.938 -5.354 6.941 1.00 74.42 O ATOM 615 OD2 ASP A 41 -2.492 -5.792 8.508 1.00 73.02 O ATOM 0 H ASP A 41 -1.914 -9.082 4.197 1.00 50.21 H new ATOM 0 HA ASP A 41 -3.824 -7.178 4.979 1.00 33.01 H new ATOM 0 HB2 ASP A 41 -3.657 -8.194 7.244 1.00 74.15 H new ATOM 0 HB3 ASP A 41 -1.927 -7.913 7.246 1.00 74.15 H new ATOM 620 N VAL A 42 -1.873 -5.396 4.730 1.00 62.35 N ATOM 621 CA VAL A 42 -0.817 -4.449 4.325 1.00 72.44 C ATOM 622 C VAL A 42 -0.571 -3.460 5.489 1.00 2.22 C ATOM 623 O VAL A 42 -1.497 -2.791 5.968 1.00 62.04 O ATOM 624 CB VAL A 42 -1.143 -3.691 2.967 1.00 44.41 C ATOM 625 CG1 VAL A 42 -1.306 -4.685 1.791 1.00 12.32 C ATOM 626 CG2 VAL A 42 -2.388 -2.784 3.074 1.00 13.23 C ATOM 0 H VAL A 42 -2.746 -4.942 5.000 1.00 62.35 H new ATOM 0 HA VAL A 42 0.092 -5.015 4.119 1.00 72.44 H new ATOM 0 HB VAL A 42 -0.287 -3.047 2.768 1.00 44.41 H new ATOM 0 HG11 VAL A 42 -1.528 -4.134 0.877 1.00 12.32 H new ATOM 0 HG12 VAL A 42 -0.382 -5.248 1.660 1.00 12.32 H new ATOM 0 HG13 VAL A 42 -2.123 -5.374 2.007 1.00 12.32 H new ATOM 0 HG21 VAL A 42 -2.563 -2.292 2.117 1.00 13.23 H new ATOM 0 HG22 VAL A 42 -3.257 -3.388 3.335 1.00 13.23 H new ATOM 0 HG23 VAL A 42 -2.224 -2.031 3.845 1.00 13.23 H new ATOM 636 N ILE A 43 0.673 -3.421 5.997 1.00 53.43 N ATOM 637 CA ILE A 43 1.055 -2.541 7.116 1.00 32.41 C ATOM 638 C ILE A 43 2.037 -1.491 6.589 1.00 61.01 C ATOM 639 O ILE A 43 3.097 -1.844 6.069 1.00 44.24 O ATOM 640 CB ILE A 43 1.714 -3.308 8.339 1.00 21.44 C ATOM 641 CG1 ILE A 43 0.799 -4.471 8.882 1.00 24.22 C ATOM 642 CG2 ILE A 43 2.067 -2.316 9.484 1.00 0.31 C ATOM 643 CD1 ILE A 43 0.767 -5.736 8.025 1.00 74.44 C ATOM 0 H ILE A 43 1.439 -3.996 5.646 1.00 53.43 H new ATOM 0 HA ILE A 43 0.140 -2.088 7.498 1.00 32.41 H new ATOM 0 HB ILE A 43 2.632 -3.765 7.969 1.00 21.44 H new ATOM 0 HG12 ILE A 43 1.138 -4.739 9.883 1.00 24.22 H new ATOM 0 HG13 ILE A 43 -0.219 -4.094 8.980 1.00 24.22 H new ATOM 0 HG21 ILE A 43 2.518 -2.862 10.313 1.00 0.31 H new ATOM 0 HG22 ILE A 43 2.771 -1.570 9.115 1.00 0.31 H new ATOM 0 HG23 ILE A 43 1.160 -1.819 9.828 1.00 0.31 H new ATOM 0 HD11 ILE A 43 0.109 -6.472 8.487 1.00 74.44 H new ATOM 0 HD12 ILE A 43 0.396 -5.492 7.030 1.00 74.44 H new ATOM 0 HD13 ILE A 43 1.773 -6.148 7.946 1.00 74.44 H new ATOM 655 N TYR A 44 1.679 -0.216 6.726 1.00 50.44 N ATOM 656 CA TYR A 44 2.487 0.898 6.241 1.00 20.22 C ATOM 657 C TYR A 44 3.739 1.053 7.125 1.00 62.33 C ATOM 658 O TYR A 44 3.631 1.384 8.311 1.00 75.41 O ATOM 659 CB TYR A 44 1.624 2.177 6.220 1.00 72.41 C ATOM 660 CG TYR A 44 2.227 3.405 5.509 1.00 54.33 C ATOM 661 CD1 TYR A 44 3.335 3.336 4.658 1.00 54.14 C ATOM 662 CD2 TYR A 44 1.649 4.647 5.692 1.00 22.53 C ATOM 663 CE1 TYR A 44 3.820 4.462 4.039 1.00 64.05 C ATOM 664 CE2 TYR A 44 2.128 5.763 5.075 1.00 64.52 C ATOM 665 CZ TYR A 44 3.210 5.675 4.249 1.00 50.13 C ATOM 666 OH TYR A 44 3.669 6.805 3.624 1.00 34.33 O ATOM 0 H TYR A 44 0.813 0.074 7.180 1.00 50.44 H new ATOM 0 HA TYR A 44 2.829 0.709 5.224 1.00 20.22 H new ATOM 0 HB2 TYR A 44 0.674 1.939 5.742 1.00 72.41 H new ATOM 0 HB3 TYR A 44 1.402 2.455 7.250 1.00 72.41 H new ATOM 0 HD1 TYR A 44 3.816 2.384 4.485 1.00 54.14 H new ATOM 0 HD2 TYR A 44 0.792 4.735 6.343 1.00 22.53 H new ATOM 0 HE1 TYR A 44 4.679 4.394 3.388 1.00 64.05 H new ATOM 0 HE2 TYR A 44 1.651 6.718 5.240 1.00 64.52 H new ATOM 0 HH TYR A 44 3.618 6.685 2.653 1.00 34.33 H new ATOM 676 N LYS A 45 4.912 0.781 6.532 1.00 42.12 N ATOM 677 CA LYS A 45 6.200 0.759 7.242 1.00 52.33 C ATOM 678 C LYS A 45 6.965 2.070 7.078 1.00 3.41 C ATOM 679 O LYS A 45 7.490 2.592 8.063 1.00 72.03 O ATOM 680 CB LYS A 45 7.035 -0.457 6.757 1.00 41.21 C ATOM 681 CG LYS A 45 6.517 -1.816 7.293 1.00 43.24 C ATOM 682 CD LYS A 45 6.643 -1.907 8.841 1.00 50.24 C ATOM 683 CE LYS A 45 6.044 -3.196 9.412 1.00 22.42 C ATOM 684 NZ LYS A 45 6.230 -3.317 10.879 1.00 23.31 N ATOM 0 H LYS A 45 4.994 0.568 5.538 1.00 42.12 H new ATOM 0 HA LYS A 45 6.007 0.652 8.309 1.00 52.33 H new ATOM 0 HB2 LYS A 45 7.030 -0.480 5.667 1.00 41.21 H new ATOM 0 HB3 LYS A 45 8.071 -0.324 7.068 1.00 41.21 H new ATOM 0 HG2 LYS A 45 5.474 -1.948 7.004 1.00 43.24 H new ATOM 0 HG3 LYS A 45 7.081 -2.628 6.833 1.00 43.24 H new ATOM 0 HD2 LYS A 45 7.695 -1.847 9.119 1.00 50.24 H new ATOM 0 HD3 LYS A 45 6.144 -1.049 9.292 1.00 50.24 H new ATOM 0 HE2 LYS A 45 4.979 -3.229 9.182 1.00 22.42 H new ATOM 0 HE3 LYS A 45 6.503 -4.053 8.920 1.00 22.42 H new ATOM 0 HZ1 LYS A 45 6.562 -4.275 11.109 1.00 23.31 H new ATOM 0 HZ2 LYS A 45 6.934 -2.621 11.198 1.00 23.31 H new ATOM 0 HZ3 LYS A 45 5.325 -3.140 11.359 1.00 23.31 H new ATOM 698 N GLY A 46 7.021 2.612 5.845 1.00 3.23 N ATOM 699 CA GLY A 46 7.816 3.827 5.596 1.00 73.13 C ATOM 700 C GLY A 46 7.493 4.544 4.299 1.00 10.33 C ATOM 701 O GLY A 46 6.817 4.001 3.429 1.00 54.54 O ATOM 0 H GLY A 46 6.539 2.239 5.027 1.00 3.23 H new ATOM 0 HA2 GLY A 46 7.665 4.519 6.425 1.00 73.13 H new ATOM 0 HA3 GLY A 46 8.872 3.559 5.593 1.00 73.13 H new ATOM 705 N PHE A 47 8.017 5.773 4.183 1.00 52.01 N ATOM 706 CA PHE A 47 7.855 6.642 3.015 1.00 42.24 C ATOM 707 C PHE A 47 9.145 7.460 2.847 1.00 15.24 C ATOM 708 O PHE A 47 9.489 8.266 3.718 1.00 44.20 O ATOM 709 CB PHE A 47 6.631 7.571 3.215 1.00 74.10 C ATOM 710 CG PHE A 47 6.238 8.423 2.001 1.00 11.13 C ATOM 711 CD1 PHE A 47 5.887 7.820 0.795 1.00 12.33 C ATOM 712 CD2 PHE A 47 6.211 9.817 2.070 1.00 63.12 C ATOM 713 CE1 PHE A 47 5.520 8.579 -0.298 1.00 12.55 C ATOM 714 CE2 PHE A 47 5.843 10.575 0.975 1.00 11.11 C ATOM 715 CZ PHE A 47 5.499 9.956 -0.211 1.00 64.51 C ATOM 0 H PHE A 47 8.579 6.198 4.920 1.00 52.01 H new ATOM 0 HA PHE A 47 7.679 6.050 2.117 1.00 42.24 H new ATOM 0 HB2 PHE A 47 5.775 6.958 3.498 1.00 74.10 H new ATOM 0 HB3 PHE A 47 6.837 8.238 4.052 1.00 74.10 H new ATOM 0 HD1 PHE A 47 5.902 6.743 0.714 1.00 12.33 H new ATOM 0 HD2 PHE A 47 6.482 10.310 2.992 1.00 63.12 H new ATOM 0 HE1 PHE A 47 5.249 8.094 -1.224 1.00 12.55 H new ATOM 0 HE2 PHE A 47 5.824 11.652 1.046 1.00 11.11 H new ATOM 0 HZ PHE A 47 5.214 10.548 -1.068 1.00 64.51 H new ATOM 725 N GLU A 48 9.876 7.207 1.751 1.00 50.23 N ATOM 726 CA GLU A 48 11.133 7.907 1.440 1.00 24.41 C ATOM 727 C GLU A 48 11.284 8.052 -0.080 1.00 31.22 C ATOM 728 O GLU A 48 11.193 7.060 -0.809 1.00 52.42 O ATOM 729 CB GLU A 48 12.342 7.156 2.075 1.00 61.34 C ATOM 730 CG GLU A 48 12.444 5.649 1.730 1.00 44.45 C ATOM 731 CD GLU A 48 13.590 4.940 2.469 1.00 12.42 C ATOM 732 OE1 GLU A 48 13.478 4.744 3.702 1.00 12.34 O ATOM 733 OE2 GLU A 48 14.601 4.566 1.838 1.00 42.00 O ATOM 0 H GLU A 48 9.612 6.510 1.054 1.00 50.23 H new ATOM 0 HA GLU A 48 11.110 8.908 1.871 1.00 24.41 H new ATOM 0 HB2 GLU A 48 13.261 7.647 1.756 1.00 61.34 H new ATOM 0 HB3 GLU A 48 12.284 7.260 3.158 1.00 61.34 H new ATOM 0 HG2 GLU A 48 11.502 5.160 1.978 1.00 44.45 H new ATOM 0 HG3 GLU A 48 12.588 5.537 0.655 1.00 44.45 H new ATOM 740 N ASP A 49 11.452 9.314 -0.539 1.00 41.21 N ATOM 741 CA ASP A 49 11.685 9.680 -1.961 1.00 23.13 C ATOM 742 C ASP A 49 10.452 9.385 -2.842 1.00 14.51 C ATOM 743 O ASP A 49 10.552 9.334 -4.072 1.00 40.40 O ATOM 744 CB ASP A 49 12.970 8.986 -2.520 1.00 5.13 C ATOM 745 CG ASP A 49 14.239 9.335 -1.714 1.00 44.43 C ATOM 746 OD1 ASP A 49 14.833 10.405 -1.960 1.00 62.33 O ATOM 747 OD2 ASP A 49 14.640 8.548 -0.829 1.00 30.32 O ATOM 0 H ASP A 49 11.429 10.125 0.079 1.00 41.21 H new ATOM 0 HA ASP A 49 11.848 10.757 -1.996 1.00 23.13 H new ATOM 0 HB2 ASP A 49 12.826 7.906 -2.512 1.00 5.13 H new ATOM 0 HB3 ASP A 49 13.113 9.281 -3.560 1.00 5.13 H new ATOM 752 N GLY A 50 9.274 9.241 -2.205 1.00 74.02 N ATOM 753 CA GLY A 50 8.041 8.872 -2.912 1.00 40.23 C ATOM 754 C GLY A 50 7.789 7.365 -2.930 1.00 32.54 C ATOM 755 O GLY A 50 6.777 6.911 -3.473 1.00 12.05 O ATOM 0 H GLY A 50 9.154 9.376 -1.201 1.00 74.02 H new ATOM 0 HA2 GLY A 50 7.195 9.370 -2.439 1.00 40.23 H new ATOM 0 HA3 GLY A 50 8.094 9.238 -3.937 1.00 40.23 H new ATOM 759 N ILE A 51 8.705 6.591 -2.324 1.00 40.52 N ATOM 760 CA ILE A 51 8.619 5.125 -2.263 1.00 75.23 C ATOM 761 C ILE A 51 7.911 4.706 -0.961 1.00 14.43 C ATOM 762 O ILE A 51 8.431 4.913 0.144 1.00 74.11 O ATOM 763 CB ILE A 51 10.047 4.464 -2.367 1.00 23.53 C ATOM 764 CG1 ILE A 51 10.748 4.868 -3.709 1.00 52.43 C ATOM 765 CG2 ILE A 51 9.985 2.924 -2.215 1.00 10.15 C ATOM 766 CD1 ILE A 51 9.969 4.523 -4.973 1.00 24.11 C ATOM 0 H ILE A 51 9.531 6.969 -1.860 1.00 40.52 H new ATOM 0 HA ILE A 51 8.037 4.772 -3.114 1.00 75.23 H new ATOM 0 HB ILE A 51 10.644 4.844 -1.538 1.00 23.53 H new ATOM 0 HG12 ILE A 51 10.932 5.942 -3.696 1.00 52.43 H new ATOM 0 HG13 ILE A 51 11.721 4.378 -3.755 1.00 52.43 H new ATOM 0 HG21 ILE A 51 10.990 2.510 -2.293 1.00 10.15 H new ATOM 0 HG22 ILE A 51 9.563 2.671 -1.242 1.00 10.15 H new ATOM 0 HG23 ILE A 51 9.358 2.506 -3.002 1.00 10.15 H new ATOM 0 HD11 ILE A 51 10.536 4.842 -5.848 1.00 24.11 H new ATOM 0 HD12 ILE A 51 9.807 3.446 -5.018 1.00 24.11 H new ATOM 0 HD13 ILE A 51 9.006 5.034 -4.958 1.00 24.11 H new ATOM 778 N VAL A 52 6.708 4.150 -1.127 1.00 25.34 N ATOM 779 CA VAL A 52 5.846 3.702 -0.035 1.00 63.25 C ATOM 780 C VAL A 52 6.189 2.239 0.310 1.00 1.22 C ATOM 781 O VAL A 52 5.783 1.320 -0.398 1.00 34.55 O ATOM 782 CB VAL A 52 4.327 3.833 -0.448 1.00 1.10 C ATOM 783 CG1 VAL A 52 3.373 3.413 0.692 1.00 71.42 C ATOM 784 CG2 VAL A 52 3.995 5.267 -0.930 1.00 14.40 C ATOM 0 H VAL A 52 6.298 3.996 -2.048 1.00 25.34 H new ATOM 0 HA VAL A 52 6.013 4.327 0.842 1.00 63.25 H new ATOM 0 HB VAL A 52 4.171 3.144 -1.278 1.00 1.10 H new ATOM 0 HG11 VAL A 52 2.340 3.520 0.360 1.00 71.42 H new ATOM 0 HG12 VAL A 52 3.562 2.373 0.960 1.00 71.42 H new ATOM 0 HG13 VAL A 52 3.543 4.048 1.561 1.00 71.42 H new ATOM 0 HG21 VAL A 52 2.942 5.323 -1.207 1.00 14.40 H new ATOM 0 HG22 VAL A 52 4.198 5.977 -0.128 1.00 14.40 H new ATOM 0 HG23 VAL A 52 4.611 5.512 -1.795 1.00 14.40 H new ATOM 794 N GLN A 53 6.964 2.037 1.379 1.00 2.42 N ATOM 795 CA GLN A 53 7.373 0.702 1.834 1.00 4.32 C ATOM 796 C GLN A 53 6.228 0.063 2.647 1.00 24.02 C ATOM 797 O GLN A 53 5.843 0.589 3.705 1.00 54.13 O ATOM 798 CB GLN A 53 8.679 0.795 2.670 1.00 52.51 C ATOM 799 CG GLN A 53 9.915 1.272 1.870 1.00 75.44 C ATOM 800 CD GLN A 53 11.222 1.253 2.677 1.00 14.33 C ATOM 801 OE1 GLN A 53 11.380 0.468 3.616 1.00 5.03 O ATOM 802 NE2 GLN A 53 12.181 2.092 2.302 1.00 25.23 N ATOM 0 H GLN A 53 7.327 2.796 1.956 1.00 2.42 H new ATOM 0 HA GLN A 53 7.579 0.068 0.971 1.00 4.32 H new ATOM 0 HB2 GLN A 53 8.515 1.478 3.504 1.00 52.51 H new ATOM 0 HB3 GLN A 53 8.893 -0.184 3.097 1.00 52.51 H new ATOM 0 HG2 GLN A 53 10.033 0.639 0.990 1.00 75.44 H new ATOM 0 HG3 GLN A 53 9.735 2.286 1.512 1.00 75.44 H new ATOM 0 HE21 GLN A 53 12.024 2.730 1.522 1.00 25.23 H new ATOM 0 HE22 GLN A 53 13.075 2.098 2.794 1.00 25.23 H new ATOM 811 N LEU A 54 5.674 -1.050 2.119 1.00 72.22 N ATOM 812 CA LEU A 54 4.518 -1.757 2.704 1.00 51.21 C ATOM 813 C LEU A 54 4.874 -3.205 3.059 1.00 1.45 C ATOM 814 O LEU A 54 5.569 -3.890 2.306 1.00 31.21 O ATOM 815 CB LEU A 54 3.323 -1.756 1.714 1.00 53.34 C ATOM 816 CG LEU A 54 2.713 -0.364 1.371 1.00 60.31 C ATOM 817 CD1 LEU A 54 1.545 -0.496 0.386 1.00 10.02 C ATOM 818 CD2 LEU A 54 2.267 0.378 2.642 1.00 54.32 C ATOM 0 H LEU A 54 6.022 -1.486 1.265 1.00 72.22 H new ATOM 0 HA LEU A 54 4.239 -1.229 3.616 1.00 51.21 H new ATOM 0 HB2 LEU A 54 3.647 -2.226 0.785 1.00 53.34 H new ATOM 0 HB3 LEU A 54 2.534 -2.383 2.129 1.00 53.34 H new ATOM 0 HG LEU A 54 3.495 0.225 0.892 1.00 60.31 H new ATOM 0 HD11 LEU A 54 1.141 0.492 0.166 1.00 10.02 H new ATOM 0 HD12 LEU A 54 1.897 -0.957 -0.537 1.00 10.02 H new ATOM 0 HD13 LEU A 54 0.765 -1.117 0.827 1.00 10.02 H new ATOM 0 HD21 LEU A 54 1.846 1.346 2.369 1.00 54.32 H new ATOM 0 HD22 LEU A 54 1.513 -0.212 3.162 1.00 54.32 H new ATOM 0 HD23 LEU A 54 3.126 0.527 3.296 1.00 54.32 H new ATOM 830 N LYS A 55 4.350 -3.658 4.195 1.00 41.12 N ATOM 831 CA LYS A 55 4.504 -5.023 4.697 1.00 73.42 C ATOM 832 C LYS A 55 3.349 -5.885 4.179 1.00 50.43 C ATOM 833 O LYS A 55 2.200 -5.710 4.605 1.00 75.41 O ATOM 834 CB LYS A 55 4.548 -4.989 6.247 1.00 62.21 C ATOM 835 CG LYS A 55 4.485 -6.355 6.966 1.00 23.03 C ATOM 836 CD LYS A 55 4.524 -6.181 8.505 1.00 11.45 C ATOM 837 CE LYS A 55 4.220 -7.467 9.267 1.00 60.22 C ATOM 838 NZ LYS A 55 4.419 -7.332 10.733 1.00 74.24 N ATOM 0 H LYS A 55 3.790 -3.069 4.811 1.00 41.12 H new ATOM 0 HA LYS A 55 5.436 -5.463 4.341 1.00 73.42 H new ATOM 0 HB2 LYS A 55 5.465 -4.484 6.552 1.00 62.21 H new ATOM 0 HB3 LYS A 55 3.716 -4.379 6.599 1.00 62.21 H new ATOM 0 HG2 LYS A 55 3.572 -6.878 6.680 1.00 23.03 H new ATOM 0 HG3 LYS A 55 5.322 -6.976 6.646 1.00 23.03 H new ATOM 0 HD2 LYS A 55 5.509 -5.818 8.798 1.00 11.45 H new ATOM 0 HD3 LYS A 55 3.804 -5.416 8.795 1.00 11.45 H new ATOM 0 HE2 LYS A 55 3.190 -7.764 9.071 1.00 60.22 H new ATOM 0 HE3 LYS A 55 4.859 -8.266 8.891 1.00 60.22 H new ATOM 0 HZ1 LYS A 55 4.364 -8.270 11.179 1.00 74.24 H new ATOM 0 HZ2 LYS A 55 5.353 -6.914 10.920 1.00 74.24 H new ATOM 0 HZ3 LYS A 55 3.679 -6.717 11.129 1.00 74.24 H new ATOM 852 N LEU A 56 3.657 -6.788 3.233 1.00 45.02 N ATOM 853 CA LEU A 56 2.665 -7.697 2.646 1.00 21.11 C ATOM 854 C LEU A 56 2.641 -9.004 3.450 1.00 1.34 C ATOM 855 O LEU A 56 3.701 -9.569 3.750 1.00 11.23 O ATOM 856 CB LEU A 56 2.989 -7.988 1.157 1.00 24.23 C ATOM 857 CG LEU A 56 3.185 -6.751 0.217 1.00 74.05 C ATOM 858 CD1 LEU A 56 3.355 -7.199 -1.247 1.00 22.45 C ATOM 859 CD2 LEU A 56 2.036 -5.729 0.352 1.00 61.35 C ATOM 0 H LEU A 56 4.598 -6.906 2.857 1.00 45.02 H new ATOM 0 HA LEU A 56 1.684 -7.223 2.687 1.00 21.11 H new ATOM 0 HB2 LEU A 56 3.897 -8.589 1.119 1.00 24.23 H new ATOM 0 HB3 LEU A 56 2.185 -8.600 0.749 1.00 24.23 H new ATOM 0 HG LEU A 56 4.098 -6.247 0.533 1.00 74.05 H new ATOM 0 HD11 LEU A 56 3.490 -6.323 -1.882 1.00 22.45 H new ATOM 0 HD12 LEU A 56 4.228 -7.846 -1.331 1.00 22.45 H new ATOM 0 HD13 LEU A 56 2.467 -7.745 -1.566 1.00 22.45 H new ATOM 0 HD21 LEU A 56 2.216 -4.889 -0.319 1.00 61.35 H new ATOM 0 HD22 LEU A 56 1.092 -6.207 0.091 1.00 61.35 H new ATOM 0 HD23 LEU A 56 1.988 -5.369 1.380 1.00 61.35 H new ATOM 871 N GLN A 57 1.431 -9.461 3.808 1.00 62.10 N ATOM 872 CA GLN A 57 1.225 -10.750 4.504 1.00 23.53 C ATOM 873 C GLN A 57 0.896 -11.861 3.495 1.00 42.32 C ATOM 874 O GLN A 57 0.730 -11.587 2.295 1.00 61.25 O ATOM 875 CB GLN A 57 0.075 -10.638 5.537 1.00 10.33 C ATOM 876 CG GLN A 57 0.355 -9.757 6.756 1.00 70.13 C ATOM 877 CD GLN A 57 1.468 -10.290 7.653 1.00 63.31 C ATOM 878 OE1 GLN A 57 1.765 -11.484 7.689 1.00 3.40 O ATOM 879 NE2 GLN A 57 2.040 -9.417 8.435 1.00 11.10 N ATOM 0 H GLN A 57 0.566 -8.952 3.626 1.00 62.10 H new ATOM 0 HA GLN A 57 2.149 -10.999 5.025 1.00 23.53 H new ATOM 0 HB2 GLN A 57 -0.808 -10.251 5.028 1.00 10.33 H new ATOM 0 HB3 GLN A 57 -0.172 -11.640 5.886 1.00 10.33 H new ATOM 0 HG2 GLN A 57 0.621 -8.756 6.417 1.00 70.13 H new ATOM 0 HG3 GLN A 57 -0.559 -9.662 7.343 1.00 70.13 H new ATOM 0 HE21 GLN A 57 1.774 -8.434 8.383 1.00 11.10 H new ATOM 0 HE22 GLN A 57 2.754 -9.717 9.099 1.00 11.10 H new ATOM 888 N GLY A 58 0.783 -13.107 4.010 1.00 25.43 N ATOM 889 CA GLY A 58 0.484 -14.297 3.200 1.00 75.43 C ATOM 890 C GLY A 58 -0.789 -14.188 2.357 1.00 51.41 C ATOM 891 O GLY A 58 -1.569 -13.249 2.537 1.00 71.14 O ATOM 0 H GLY A 58 0.898 -13.309 5.003 1.00 25.43 H new ATOM 0 HA2 GLY A 58 1.328 -14.491 2.538 1.00 75.43 H new ATOM 0 HA3 GLY A 58 0.394 -15.158 3.862 1.00 75.43 H new ATOM 895 N SER A 59 -0.972 -15.156 1.436 1.00 25.40 N ATOM 896 CA SER A 59 -1.997 -15.143 0.365 1.00 14.43 C ATOM 897 C SER A 59 -1.579 -14.171 -0.773 1.00 5.40 C ATOM 898 O SER A 59 -1.541 -14.563 -1.938 1.00 72.23 O ATOM 899 CB SER A 59 -3.433 -14.836 0.902 1.00 61.22 C ATOM 900 OG SER A 59 -4.421 -14.944 -0.112 1.00 24.40 O ATOM 0 H SER A 59 -0.394 -15.996 1.414 1.00 25.40 H new ATOM 0 HA SER A 59 -2.049 -16.150 -0.048 1.00 14.43 H new ATOM 0 HB2 SER A 59 -3.670 -15.525 1.713 1.00 61.22 H new ATOM 0 HB3 SER A 59 -3.454 -13.830 1.322 1.00 61.22 H new ATOM 0 HG SER A 59 -4.716 -14.048 -0.378 1.00 24.40 H new ATOM 906 N CYS A 60 -1.253 -12.914 -0.420 1.00 43.40 N ATOM 907 CA CYS A 60 -0.768 -11.906 -1.376 1.00 65.30 C ATOM 908 C CYS A 60 0.746 -12.068 -1.642 1.00 53.01 C ATOM 909 O CYS A 60 1.179 -12.144 -2.801 1.00 0.53 O ATOM 910 CB CYS A 60 -1.084 -10.507 -0.830 1.00 20.51 C ATOM 911 SG CYS A 60 -2.845 -10.224 -0.573 1.00 54.41 S ATOM 0 H CYS A 60 -1.319 -12.570 0.538 1.00 43.40 H new ATOM 0 HA CYS A 60 -1.276 -12.045 -2.330 1.00 65.30 H new ATOM 0 HB2 CYS A 60 -0.559 -10.366 0.115 1.00 20.51 H new ATOM 0 HB3 CYS A 60 -0.700 -9.759 -1.523 1.00 20.51 H new ATOM 0 HG CYS A 60 -3.487 -11.348 -0.692 1.00 54.41 H new ATOM 917 N THR A 61 1.540 -12.155 -0.553 1.00 35.34 N ATOM 918 CA THR A 61 3.018 -12.222 -0.642 1.00 54.23 C ATOM 919 C THR A 61 3.500 -13.627 -1.072 1.00 3.40 C ATOM 920 O THR A 61 4.671 -13.812 -1.430 1.00 44.12 O ATOM 921 CB THR A 61 3.704 -11.802 0.713 1.00 34.13 C ATOM 922 OG1 THR A 61 5.048 -11.392 0.460 1.00 2.52 O ATOM 923 CG2 THR A 61 3.731 -12.925 1.770 1.00 63.03 C ATOM 0 H THR A 61 1.182 -12.181 0.402 1.00 35.34 H new ATOM 0 HA THR A 61 3.317 -11.508 -1.410 1.00 54.23 H new ATOM 0 HB THR A 61 3.102 -10.988 1.118 1.00 34.13 H new ATOM 0 HG1 THR A 61 5.567 -11.441 1.290 1.00 2.52 H new ATOM 0 HG21 THR A 61 4.218 -12.561 2.675 1.00 63.03 H new ATOM 0 HG22 THR A 61 2.711 -13.229 2.004 1.00 63.03 H new ATOM 0 HG23 THR A 61 4.283 -13.780 1.379 1.00 63.03 H new ATOM 931 N SER A 62 2.576 -14.606 -1.021 1.00 20.31 N ATOM 932 CA SER A 62 2.860 -16.016 -1.313 1.00 32.40 C ATOM 933 C SER A 62 3.156 -16.255 -2.814 1.00 61.33 C ATOM 934 O SER A 62 3.794 -17.256 -3.168 1.00 1.20 O ATOM 935 CB SER A 62 1.663 -16.867 -0.852 1.00 51.33 C ATOM 936 OG SER A 62 1.363 -16.605 0.506 1.00 21.41 O ATOM 0 H SER A 62 1.602 -14.433 -0.773 1.00 20.31 H new ATOM 0 HA SER A 62 3.759 -16.308 -0.770 1.00 32.40 H new ATOM 0 HB2 SER A 62 0.793 -16.648 -1.472 1.00 51.33 H new ATOM 0 HB3 SER A 62 1.889 -17.925 -0.983 1.00 51.33 H new ATOM 0 HG SER A 62 0.893 -17.374 0.892 1.00 21.41 H new ATOM 942 N CYS A 63 2.683 -15.339 -3.687 1.00 25.35 N ATOM 943 CA CYS A 63 2.923 -15.400 -5.139 1.00 3.25 C ATOM 944 C CYS A 63 3.486 -14.043 -5.619 1.00 43.42 C ATOM 945 O CYS A 63 2.837 -13.022 -5.408 1.00 40.12 O ATOM 946 CB CYS A 63 1.610 -15.750 -5.885 1.00 44.20 C ATOM 947 SG CYS A 63 0.910 -17.362 -5.435 1.00 74.43 S ATOM 0 H CYS A 63 2.123 -14.536 -3.400 1.00 25.35 H new ATOM 0 HA CYS A 63 3.651 -16.182 -5.358 1.00 3.25 H new ATOM 0 HB2 CYS A 63 0.871 -14.975 -5.681 1.00 44.20 H new ATOM 0 HB3 CYS A 63 1.799 -15.735 -6.958 1.00 44.20 H new ATOM 0 HG CYS A 63 -0.184 -17.563 -6.108 1.00 74.43 H new ATOM 953 N PRO A 64 4.712 -14.010 -6.258 1.00 70.01 N ATOM 954 CA PRO A 64 5.335 -12.761 -6.778 1.00 44.22 C ATOM 955 C PRO A 64 4.468 -12.060 -7.842 1.00 64.34 C ATOM 956 O PRO A 64 4.588 -10.849 -8.047 1.00 24.22 O ATOM 957 CB PRO A 64 6.698 -13.239 -7.352 1.00 20.34 C ATOM 958 CG PRO A 64 6.526 -14.705 -7.589 1.00 50.21 C ATOM 959 CD PRO A 64 5.595 -15.182 -6.495 1.00 42.24 C ATOM 0 HA PRO A 64 5.449 -12.005 -6.001 1.00 44.22 H new ATOM 0 HB2 PRO A 64 6.942 -12.716 -8.277 1.00 20.34 H new ATOM 0 HB3 PRO A 64 7.511 -13.045 -6.652 1.00 20.34 H new ATOM 0 HG2 PRO A 64 6.104 -14.897 -8.575 1.00 50.21 H new ATOM 0 HG3 PRO A 64 7.483 -15.225 -7.545 1.00 50.21 H new ATOM 0 HD2 PRO A 64 5.025 -16.058 -6.806 1.00 42.24 H new ATOM 0 HD3 PRO A 64 6.143 -15.461 -5.595 1.00 42.24 H new ATOM 967 N SER A 65 3.596 -12.842 -8.493 1.00 22.14 N ATOM 968 CA SER A 65 2.579 -12.335 -9.414 1.00 25.11 C ATOM 969 C SER A 65 1.599 -11.413 -8.665 1.00 13.45 C ATOM 970 O SER A 65 1.367 -10.272 -9.073 1.00 61.14 O ATOM 971 CB SER A 65 1.843 -13.535 -10.057 1.00 10.14 C ATOM 972 OG SER A 65 1.415 -14.460 -9.067 1.00 63.35 O ATOM 0 H SER A 65 3.580 -13.857 -8.391 1.00 22.14 H new ATOM 0 HA SER A 65 3.048 -11.746 -10.202 1.00 25.11 H new ATOM 0 HB2 SER A 65 0.982 -13.178 -10.622 1.00 10.14 H new ATOM 0 HB3 SER A 65 2.504 -14.035 -10.765 1.00 10.14 H new ATOM 0 HG SER A 65 0.951 -15.208 -9.497 1.00 63.35 H new ATOM 978 N SER A 66 1.058 -11.925 -7.543 1.00 4.52 N ATOM 979 CA SER A 66 0.092 -11.203 -6.701 1.00 52.34 C ATOM 980 C SER A 66 0.757 -10.040 -5.937 1.00 24.31 C ATOM 981 O SER A 66 0.081 -9.070 -5.593 1.00 15.05 O ATOM 982 CB SER A 66 -0.580 -12.187 -5.725 1.00 43.53 C ATOM 983 OG SER A 66 -1.216 -13.249 -6.425 1.00 50.33 O ATOM 0 H SER A 66 1.282 -12.857 -7.195 1.00 4.52 H new ATOM 0 HA SER A 66 -0.667 -10.765 -7.349 1.00 52.34 H new ATOM 0 HB2 SER A 66 0.166 -12.593 -5.042 1.00 43.53 H new ATOM 0 HB3 SER A 66 -1.314 -11.657 -5.117 1.00 43.53 H new ATOM 0 HG SER A 66 -1.633 -13.860 -5.783 1.00 50.33 H new ATOM 989 N ILE A 67 2.076 -10.161 -5.660 1.00 70.34 N ATOM 990 CA ILE A 67 2.877 -9.075 -5.057 1.00 24.24 C ATOM 991 C ILE A 67 2.887 -7.855 -5.984 1.00 32.11 C ATOM 992 O ILE A 67 2.582 -6.750 -5.545 1.00 53.34 O ATOM 993 CB ILE A 67 4.358 -9.531 -4.762 1.00 12.25 C ATOM 994 CG1 ILE A 67 4.378 -10.676 -3.704 1.00 30.43 C ATOM 995 CG2 ILE A 67 5.255 -8.342 -4.316 1.00 73.44 C ATOM 996 CD1 ILE A 67 5.750 -11.279 -3.424 1.00 13.11 C ATOM 0 H ILE A 67 2.610 -11.009 -5.847 1.00 70.34 H new ATOM 0 HA ILE A 67 2.413 -8.813 -4.106 1.00 24.24 H new ATOM 0 HB ILE A 67 4.776 -9.913 -5.693 1.00 12.25 H new ATOM 0 HG12 ILE A 67 3.970 -10.292 -2.769 1.00 30.43 H new ATOM 0 HG13 ILE A 67 3.712 -11.471 -4.040 1.00 30.43 H new ATOM 0 HG21 ILE A 67 6.266 -8.701 -4.123 1.00 73.44 H new ATOM 0 HG22 ILE A 67 5.281 -7.590 -5.105 1.00 73.44 H new ATOM 0 HG23 ILE A 67 4.848 -7.900 -3.407 1.00 73.44 H new ATOM 0 HD11 ILE A 67 5.656 -12.066 -2.675 1.00 13.11 H new ATOM 0 HD12 ILE A 67 6.157 -11.700 -4.343 1.00 13.11 H new ATOM 0 HD13 ILE A 67 6.420 -10.503 -3.053 1.00 13.11 H new ATOM 1008 N ILE A 68 3.235 -8.084 -7.266 1.00 3.34 N ATOM 1009 CA ILE A 68 3.299 -7.022 -8.282 1.00 43.44 C ATOM 1010 C ILE A 68 1.905 -6.409 -8.515 1.00 1.34 C ATOM 1011 O ILE A 68 1.769 -5.195 -8.522 1.00 31.12 O ATOM 1012 CB ILE A 68 3.917 -7.552 -9.637 1.00 22.24 C ATOM 1013 CG1 ILE A 68 5.405 -8.000 -9.425 1.00 13.11 C ATOM 1014 CG2 ILE A 68 3.818 -6.494 -10.769 1.00 21.02 C ATOM 1015 CD1 ILE A 68 6.101 -8.563 -10.664 1.00 54.13 C ATOM 0 H ILE A 68 3.478 -9.008 -7.622 1.00 3.34 H new ATOM 0 HA ILE A 68 3.959 -6.241 -7.905 1.00 43.44 H new ATOM 0 HB ILE A 68 3.332 -8.417 -9.949 1.00 22.24 H new ATOM 0 HG12 ILE A 68 5.977 -7.145 -9.065 1.00 13.11 H new ATOM 0 HG13 ILE A 68 5.431 -8.755 -8.639 1.00 13.11 H new ATOM 0 HG21 ILE A 68 4.254 -6.897 -11.683 1.00 21.02 H new ATOM 0 HG22 ILE A 68 2.771 -6.246 -10.945 1.00 21.02 H new ATOM 0 HG23 ILE A 68 4.359 -5.595 -10.475 1.00 21.02 H new ATOM 0 HD11 ILE A 68 7.124 -8.843 -10.411 1.00 54.13 H new ATOM 0 HD12 ILE A 68 5.561 -9.442 -11.017 1.00 54.13 H new ATOM 0 HD13 ILE A 68 6.115 -7.807 -11.449 1.00 54.13 H new ATOM 1027 N THR A 69 0.877 -7.265 -8.662 1.00 21.22 N ATOM 1028 CA THR A 69 -0.506 -6.828 -8.948 1.00 71.41 C ATOM 1029 C THR A 69 -1.079 -5.972 -7.796 1.00 23.20 C ATOM 1030 O THR A 69 -1.685 -4.920 -8.038 1.00 12.05 O ATOM 1031 CB THR A 69 -1.435 -8.056 -9.218 1.00 32.20 C ATOM 1032 OG1 THR A 69 -0.841 -8.892 -10.223 1.00 14.12 O ATOM 1033 CG2 THR A 69 -2.844 -7.634 -9.683 1.00 50.31 C ATOM 0 H THR A 69 0.979 -8.277 -8.586 1.00 21.22 H new ATOM 0 HA THR A 69 -0.471 -6.210 -9.846 1.00 71.41 H new ATOM 0 HB THR A 69 -1.542 -8.597 -8.278 1.00 32.20 H new ATOM 0 HG1 THR A 69 -0.087 -9.384 -9.836 1.00 14.12 H new ATOM 0 HG21 THR A 69 -3.451 -8.522 -9.857 1.00 50.31 H new ATOM 0 HG22 THR A 69 -3.312 -7.020 -8.914 1.00 50.31 H new ATOM 0 HG23 THR A 69 -2.766 -7.061 -10.607 1.00 50.31 H new ATOM 1041 N LEU A 70 -0.867 -6.424 -6.544 1.00 52.03 N ATOM 1042 CA LEU A 70 -1.310 -5.689 -5.342 1.00 63.01 C ATOM 1043 C LEU A 70 -0.550 -4.357 -5.232 1.00 15.30 C ATOM 1044 O LEU A 70 -1.159 -3.308 -5.026 1.00 13.45 O ATOM 1045 CB LEU A 70 -1.100 -6.543 -4.059 1.00 43.13 C ATOM 1046 CG LEU A 70 -1.601 -5.915 -2.711 1.00 34.41 C ATOM 1047 CD1 LEU A 70 -3.121 -5.647 -2.731 1.00 41.25 C ATOM 1048 CD2 LEU A 70 -1.207 -6.790 -1.503 1.00 41.13 C ATOM 0 H LEU A 70 -0.388 -7.301 -6.338 1.00 52.03 H new ATOM 0 HA LEU A 70 -2.376 -5.482 -5.437 1.00 63.01 H new ATOM 0 HB2 LEU A 70 -1.605 -7.499 -4.199 1.00 43.13 H new ATOM 0 HB3 LEU A 70 -0.036 -6.756 -3.961 1.00 43.13 H new ATOM 0 HG LEU A 70 -1.103 -4.951 -2.603 1.00 34.41 H new ATOM 0 HD11 LEU A 70 -3.426 -5.212 -1.779 1.00 41.25 H new ATOM 0 HD12 LEU A 70 -3.358 -4.954 -3.539 1.00 41.25 H new ATOM 0 HD13 LEU A 70 -3.654 -6.585 -2.889 1.00 41.25 H new ATOM 0 HD21 LEU A 70 -1.569 -6.327 -0.585 1.00 41.13 H new ATOM 0 HD22 LEU A 70 -1.652 -7.779 -1.610 1.00 41.13 H new ATOM 0 HD23 LEU A 70 -0.122 -6.883 -1.459 1.00 41.13 H new ATOM 1060 N LYS A 71 0.783 -4.428 -5.417 1.00 4.24 N ATOM 1061 CA LYS A 71 1.692 -3.263 -5.358 1.00 21.15 C ATOM 1062 C LYS A 71 1.281 -2.182 -6.370 1.00 30.12 C ATOM 1063 O LYS A 71 1.278 -1.007 -6.037 1.00 42.21 O ATOM 1064 CB LYS A 71 3.153 -3.708 -5.641 1.00 43.54 C ATOM 1065 CG LYS A 71 4.227 -2.583 -5.548 1.00 22.43 C ATOM 1066 CD LYS A 71 5.094 -2.425 -6.823 1.00 4.15 C ATOM 1067 CE LYS A 71 5.869 -3.704 -7.196 1.00 10.21 C ATOM 1068 NZ LYS A 71 6.857 -3.462 -8.281 1.00 25.51 N ATOM 0 H LYS A 71 1.265 -5.305 -5.614 1.00 4.24 H new ATOM 0 HA LYS A 71 1.625 -2.841 -4.355 1.00 21.15 H new ATOM 0 HB2 LYS A 71 3.417 -4.497 -4.937 1.00 43.54 H new ATOM 0 HB3 LYS A 71 3.195 -4.144 -6.639 1.00 43.54 H new ATOM 0 HG2 LYS A 71 3.728 -1.636 -5.342 1.00 22.43 H new ATOM 0 HG3 LYS A 71 4.881 -2.790 -4.701 1.00 22.43 H new ATOM 0 HD2 LYS A 71 4.452 -2.141 -7.657 1.00 4.15 H new ATOM 0 HD3 LYS A 71 5.802 -1.610 -6.674 1.00 4.15 H new ATOM 0 HE2 LYS A 71 6.385 -4.085 -6.315 1.00 10.21 H new ATOM 0 HE3 LYS A 71 5.166 -4.475 -7.512 1.00 10.21 H new ATOM 0 HZ1 LYS A 71 7.356 -4.348 -8.500 1.00 25.51 H new ATOM 0 HZ2 LYS A 71 6.363 -3.123 -9.131 1.00 25.51 H new ATOM 0 HZ3 LYS A 71 7.544 -2.746 -7.971 1.00 25.51 H new ATOM 1082 N ASN A 72 0.947 -2.616 -7.596 1.00 15.02 N ATOM 1083 CA ASN A 72 0.543 -1.734 -8.714 1.00 62.42 C ATOM 1084 C ASN A 72 -0.805 -1.069 -8.428 1.00 65.32 C ATOM 1085 O ASN A 72 -0.970 0.125 -8.682 1.00 23.13 O ATOM 1086 CB ASN A 72 0.481 -2.530 -10.053 1.00 11.11 C ATOM 1087 CG ASN A 72 1.854 -2.870 -10.643 1.00 25.31 C ATOM 1088 OD1 ASN A 72 2.854 -2.941 -9.928 1.00 73.42 O ATOM 1089 ND2 ASN A 72 1.906 -3.112 -11.948 1.00 23.42 N ATOM 0 H ASN A 72 0.949 -3.605 -7.847 1.00 15.02 H new ATOM 0 HA ASN A 72 1.297 -0.952 -8.811 1.00 62.42 H new ATOM 0 HB2 ASN A 72 -0.071 -3.455 -9.888 1.00 11.11 H new ATOM 0 HB3 ASN A 72 -0.082 -1.949 -10.783 1.00 11.11 H new ATOM 0 HD21 ASN A 72 2.792 -3.365 -12.385 1.00 23.42 H new ATOM 0 HD22 ASN A 72 1.060 -3.045 -12.513 1.00 23.42 H new ATOM 1096 N GLY A 73 -1.755 -1.855 -7.893 1.00 40.51 N ATOM 1097 CA GLY A 73 -3.084 -1.351 -7.550 1.00 73.43 C ATOM 1098 C GLY A 73 -3.025 -0.256 -6.487 1.00 20.30 C ATOM 1099 O GLY A 73 -3.619 0.820 -6.648 1.00 35.33 O ATOM 0 H GLY A 73 -1.620 -2.846 -7.690 1.00 40.51 H new ATOM 0 HA2 GLY A 73 -3.566 -0.960 -8.446 1.00 73.43 H new ATOM 0 HA3 GLY A 73 -3.701 -2.174 -7.189 1.00 73.43 H new ATOM 1103 N ILE A 74 -2.253 -0.534 -5.420 1.00 51.55 N ATOM 1104 CA ILE A 74 -2.007 0.409 -4.318 1.00 64.13 C ATOM 1105 C ILE A 74 -1.228 1.632 -4.830 1.00 53.13 C ATOM 1106 O ILE A 74 -1.514 2.753 -4.431 1.00 35.22 O ATOM 1107 CB ILE A 74 -1.190 -0.274 -3.150 1.00 2.14 C ATOM 1108 CG1 ILE A 74 -1.946 -1.511 -2.568 1.00 15.54 C ATOM 1109 CG2 ILE A 74 -0.863 0.742 -2.031 1.00 3.42 C ATOM 1110 CD1 ILE A 74 -1.148 -2.324 -1.547 1.00 14.52 C ATOM 0 H ILE A 74 -1.779 -1.429 -5.299 1.00 51.55 H new ATOM 0 HA ILE A 74 -2.976 0.723 -3.930 1.00 64.13 H new ATOM 0 HB ILE A 74 -0.251 -0.628 -3.575 1.00 2.14 H new ATOM 0 HG12 ILE A 74 -2.868 -1.169 -2.099 1.00 15.54 H new ATOM 0 HG13 ILE A 74 -2.231 -2.166 -3.391 1.00 15.54 H new ATOM 0 HG21 ILE A 74 -0.301 0.245 -1.241 1.00 3.42 H new ATOM 0 HG22 ILE A 74 -0.267 1.557 -2.442 1.00 3.42 H new ATOM 0 HG23 ILE A 74 -1.790 1.142 -1.620 1.00 3.42 H new ATOM 0 HD11 ILE A 74 -1.751 -3.162 -1.198 1.00 14.52 H new ATOM 0 HD12 ILE A 74 -0.238 -2.702 -2.014 1.00 14.52 H new ATOM 0 HD13 ILE A 74 -0.885 -1.689 -0.701 1.00 14.52 H new ATOM 1122 N GLN A 75 -0.241 1.382 -5.709 1.00 23.33 N ATOM 1123 CA GLN A 75 0.640 2.424 -6.264 1.00 4.31 C ATOM 1124 C GLN A 75 -0.186 3.473 -7.001 1.00 23.02 C ATOM 1125 O GLN A 75 -0.164 4.636 -6.630 1.00 73.21 O ATOM 1126 CB GLN A 75 1.702 1.799 -7.204 1.00 33.32 C ATOM 1127 CG GLN A 75 2.779 2.772 -7.718 1.00 1.12 C ATOM 1128 CD GLN A 75 3.844 2.118 -8.613 1.00 73.20 C ATOM 1129 OE1 GLN A 75 4.384 2.757 -9.510 1.00 3.10 O ATOM 1130 NE2 GLN A 75 4.175 0.855 -8.361 1.00 61.32 N ATOM 0 H GLN A 75 -0.031 0.446 -6.056 1.00 23.33 H new ATOM 0 HA GLN A 75 1.164 2.911 -5.442 1.00 4.31 H new ATOM 0 HB2 GLN A 75 2.195 0.983 -6.676 1.00 33.32 H new ATOM 0 HB3 GLN A 75 1.192 1.362 -8.062 1.00 33.32 H new ATOM 0 HG2 GLN A 75 2.293 3.572 -8.276 1.00 1.12 H new ATOM 0 HG3 GLN A 75 3.273 3.234 -6.863 1.00 1.12 H new ATOM 0 HE21 GLN A 75 3.710 0.346 -7.609 1.00 61.32 H new ATOM 0 HE22 GLN A 75 4.894 0.395 -8.920 1.00 61.32 H new ATOM 1139 N ASN A 76 -0.972 3.023 -7.996 1.00 65.43 N ATOM 1140 CA ASN A 76 -1.826 3.905 -8.808 1.00 23.31 C ATOM 1141 C ASN A 76 -2.922 4.573 -7.954 1.00 25.44 C ATOM 1142 O ASN A 76 -3.322 5.693 -8.254 1.00 22.13 O ATOM 1143 CB ASN A 76 -2.459 3.148 -10.007 1.00 20.43 C ATOM 1144 CG ASN A 76 -1.444 2.781 -11.097 1.00 12.54 C ATOM 1145 OD1 ASN A 76 -1.063 3.626 -11.908 1.00 52.21 O ATOM 1146 ND2 ASN A 76 -1.034 1.523 -11.157 1.00 22.34 N ATOM 0 H ASN A 76 -1.032 2.039 -8.258 1.00 65.43 H new ATOM 0 HA ASN A 76 -1.181 4.688 -9.207 1.00 23.31 H new ATOM 0 HB2 ASN A 76 -2.935 2.238 -9.642 1.00 20.43 H new ATOM 0 HB3 ASN A 76 -3.244 3.765 -10.444 1.00 20.43 H new ATOM 0 HD21 ASN A 76 -0.386 1.232 -11.889 1.00 22.34 H new ATOM 0 HD22 ASN A 76 -1.367 0.845 -10.471 1.00 22.34 H new ATOM 1153 N MET A 77 -3.392 3.887 -6.890 1.00 10.32 N ATOM 1154 CA MET A 77 -4.403 4.444 -5.963 1.00 25.45 C ATOM 1155 C MET A 77 -3.818 5.633 -5.167 1.00 35.54 C ATOM 1156 O MET A 77 -4.418 6.708 -5.106 1.00 11.22 O ATOM 1157 CB MET A 77 -4.932 3.328 -5.023 1.00 74.53 C ATOM 1158 CG MET A 77 -6.059 3.755 -4.064 1.00 72.23 C ATOM 1159 SD MET A 77 -5.480 4.632 -2.594 1.00 64.34 S ATOM 1160 CE MET A 77 -4.639 3.320 -1.701 1.00 64.33 C ATOM 0 H MET A 77 -3.087 2.944 -6.651 1.00 10.32 H new ATOM 0 HA MET A 77 -5.245 4.825 -6.541 1.00 25.45 H new ATOM 0 HB2 MET A 77 -5.292 2.501 -5.635 1.00 74.53 H new ATOM 0 HB3 MET A 77 -4.099 2.948 -4.432 1.00 74.53 H new ATOM 0 HG2 MET A 77 -6.759 4.393 -4.603 1.00 72.23 H new ATOM 0 HG3 MET A 77 -6.612 2.869 -3.752 1.00 72.23 H new ATOM 0 HE1 MET A 77 -4.450 3.640 -0.676 1.00 64.33 H new ATOM 0 HE2 MET A 77 -5.264 2.427 -1.692 1.00 64.33 H new ATOM 0 HE3 MET A 77 -3.692 3.095 -2.191 1.00 64.33 H new ATOM 1170 N LEU A 78 -2.623 5.430 -4.592 1.00 42.33 N ATOM 1171 CA LEU A 78 -1.904 6.458 -3.819 1.00 25.21 C ATOM 1172 C LEU A 78 -1.460 7.620 -4.719 1.00 32.40 C ATOM 1173 O LEU A 78 -1.469 8.757 -4.289 1.00 71.41 O ATOM 1174 CB LEU A 78 -0.681 5.836 -3.095 1.00 61.33 C ATOM 1175 CG LEU A 78 -1.003 4.833 -1.945 1.00 70.52 C ATOM 1176 CD1 LEU A 78 0.284 4.216 -1.368 1.00 34.12 C ATOM 1177 CD2 LEU A 78 -1.844 5.510 -0.842 1.00 53.15 C ATOM 0 H LEU A 78 -2.124 4.542 -4.650 1.00 42.33 H new ATOM 0 HA LEU A 78 -2.589 6.855 -3.070 1.00 25.21 H new ATOM 0 HB2 LEU A 78 -0.068 5.323 -3.836 1.00 61.33 H new ATOM 0 HB3 LEU A 78 -0.076 6.645 -2.686 1.00 61.33 H new ATOM 0 HG LEU A 78 -1.596 4.021 -2.365 1.00 70.52 H new ATOM 0 HD11 LEU A 78 0.028 3.521 -0.568 1.00 34.12 H new ATOM 0 HD12 LEU A 78 0.816 3.683 -2.155 1.00 34.12 H new ATOM 0 HD13 LEU A 78 0.920 5.007 -0.971 1.00 34.12 H new ATOM 0 HD21 LEU A 78 -2.055 4.790 -0.052 1.00 53.15 H new ATOM 0 HD22 LEU A 78 -1.290 6.352 -0.427 1.00 53.15 H new ATOM 0 HD23 LEU A 78 -2.782 5.867 -1.267 1.00 53.15 H new ATOM 1189 N GLN A 79 -1.084 7.310 -5.971 1.00 71.50 N ATOM 1190 CA GLN A 79 -0.678 8.319 -6.976 1.00 74.31 C ATOM 1191 C GLN A 79 -1.894 9.111 -7.491 1.00 4.32 C ATOM 1192 O GLN A 79 -1.760 10.279 -7.879 1.00 12.22 O ATOM 1193 CB GLN A 79 0.065 7.646 -8.154 1.00 33.12 C ATOM 1194 CG GLN A 79 1.424 7.028 -7.779 1.00 34.43 C ATOM 1195 CD GLN A 79 2.095 6.253 -8.914 1.00 73.30 C ATOM 1196 OE1 GLN A 79 1.424 5.667 -9.769 1.00 34.42 O ATOM 1197 NE2 GLN A 79 3.419 6.235 -8.927 1.00 70.21 N ATOM 0 H GLN A 79 -1.051 6.352 -6.320 1.00 71.50 H new ATOM 0 HA GLN A 79 0.001 9.020 -6.490 1.00 74.31 H new ATOM 0 HB2 GLN A 79 -0.572 6.866 -8.571 1.00 33.12 H new ATOM 0 HB3 GLN A 79 0.220 8.385 -8.940 1.00 33.12 H new ATOM 0 HG2 GLN A 79 2.094 7.823 -7.451 1.00 34.43 H new ATOM 0 HG3 GLN A 79 1.284 6.359 -6.930 1.00 34.43 H new ATOM 0 HE21 GLN A 79 3.943 6.730 -8.205 1.00 70.21 H new ATOM 0 HE22 GLN A 79 3.915 5.726 -9.659 1.00 70.21 H new ATOM 1206 N PHE A 80 -3.075 8.459 -7.475 1.00 34.42 N ATOM 1207 CA PHE A 80 -4.341 9.041 -7.959 1.00 64.33 C ATOM 1208 C PHE A 80 -4.741 10.247 -7.098 1.00 44.43 C ATOM 1209 O PHE A 80 -5.117 11.302 -7.624 1.00 64.10 O ATOM 1210 CB PHE A 80 -5.453 7.955 -7.949 1.00 4.23 C ATOM 1211 CG PHE A 80 -6.787 8.368 -8.577 1.00 74.24 C ATOM 1212 CD1 PHE A 80 -6.901 8.529 -9.957 1.00 44.13 C ATOM 1213 CD2 PHE A 80 -7.927 8.576 -7.794 1.00 25.01 C ATOM 1214 CE1 PHE A 80 -8.106 8.885 -10.532 1.00 11.52 C ATOM 1215 CE2 PHE A 80 -9.128 8.934 -8.371 1.00 32.11 C ATOM 1216 CZ PHE A 80 -9.219 9.091 -9.739 1.00 73.21 C ATOM 0 H PHE A 80 -3.176 7.507 -7.123 1.00 34.42 H new ATOM 0 HA PHE A 80 -4.207 9.392 -8.982 1.00 64.33 H new ATOM 0 HB2 PHE A 80 -5.081 7.075 -8.475 1.00 4.23 H new ATOM 0 HB3 PHE A 80 -5.635 7.656 -6.917 1.00 4.23 H new ATOM 0 HD1 PHE A 80 -6.036 8.373 -10.585 1.00 44.13 H new ATOM 0 HD2 PHE A 80 -7.866 8.455 -6.723 1.00 25.01 H new ATOM 0 HE1 PHE A 80 -8.178 9.002 -11.603 1.00 11.52 H new ATOM 0 HE2 PHE A 80 -9.998 9.092 -7.751 1.00 32.11 H new ATOM 0 HZ PHE A 80 -10.159 9.374 -10.189 1.00 73.21 H new ATOM 1226 N TYR A 81 -4.633 10.076 -5.771 1.00 74.54 N ATOM 1227 CA TYR A 81 -4.976 11.122 -4.789 1.00 71.42 C ATOM 1228 C TYR A 81 -3.754 11.997 -4.447 1.00 25.14 C ATOM 1229 O TYR A 81 -3.892 13.203 -4.211 1.00 71.12 O ATOM 1230 CB TYR A 81 -5.565 10.471 -3.507 1.00 65.21 C ATOM 1231 CG TYR A 81 -6.852 9.662 -3.765 1.00 23.43 C ATOM 1232 CD1 TYR A 81 -8.069 10.313 -3.987 1.00 3.13 C ATOM 1233 CD2 TYR A 81 -6.840 8.264 -3.841 1.00 12.11 C ATOM 1234 CE1 TYR A 81 -9.223 9.604 -4.255 1.00 34.43 C ATOM 1235 CE2 TYR A 81 -7.994 7.550 -4.101 1.00 12.45 C ATOM 1236 CZ TYR A 81 -9.184 8.226 -4.323 1.00 22.20 C ATOM 1237 OH TYR A 81 -10.333 7.522 -4.607 1.00 23.41 O ATOM 0 H TYR A 81 -4.305 9.208 -5.346 1.00 74.54 H new ATOM 0 HA TYR A 81 -5.728 11.774 -5.233 1.00 71.42 H new ATOM 0 HB2 TYR A 81 -4.815 9.815 -3.065 1.00 65.21 H new ATOM 0 HB3 TYR A 81 -5.776 11.252 -2.776 1.00 65.21 H new ATOM 0 HD1 TYR A 81 -8.107 11.392 -3.948 1.00 3.13 H new ATOM 0 HD2 TYR A 81 -5.911 7.734 -3.694 1.00 12.11 H new ATOM 0 HE1 TYR A 81 -10.155 10.127 -4.411 1.00 34.43 H new ATOM 0 HE2 TYR A 81 -7.969 6.471 -4.131 1.00 12.45 H new ATOM 0 HH TYR A 81 -10.156 6.884 -5.330 1.00 23.41 H new ATOM 1247 N ILE A 82 -2.553 11.385 -4.427 1.00 23.14 N ATOM 1248 CA ILE A 82 -1.305 12.038 -3.965 1.00 42.22 C ATOM 1249 C ILE A 82 -0.222 11.947 -5.069 1.00 51.51 C ATOM 1250 O ILE A 82 0.338 10.871 -5.294 1.00 45.14 O ATOM 1251 CB ILE A 82 -0.763 11.356 -2.649 1.00 11.14 C ATOM 1252 CG1 ILE A 82 -1.892 11.251 -1.579 1.00 1.52 C ATOM 1253 CG2 ILE A 82 0.470 12.112 -2.093 1.00 60.53 C ATOM 1254 CD1 ILE A 82 -1.558 10.383 -0.385 1.00 54.31 C ATOM 0 H ILE A 82 -2.418 10.421 -4.731 1.00 23.14 H new ATOM 0 HA ILE A 82 -1.530 13.083 -3.751 1.00 42.22 H new ATOM 0 HB ILE A 82 -0.441 10.345 -2.899 1.00 11.14 H new ATOM 0 HG12 ILE A 82 -2.132 12.254 -1.225 1.00 1.52 H new ATOM 0 HG13 ILE A 82 -2.790 10.858 -2.056 1.00 1.52 H new ATOM 0 HG21 ILE A 82 0.821 11.619 -1.186 1.00 60.53 H new ATOM 0 HG22 ILE A 82 1.265 12.109 -2.839 1.00 60.53 H new ATOM 0 HG23 ILE A 82 0.193 13.141 -1.862 1.00 60.53 H new ATOM 0 HD11 ILE A 82 -2.403 10.371 0.304 1.00 54.31 H new ATOM 0 HD12 ILE A 82 -1.349 9.367 -0.721 1.00 54.31 H new ATOM 0 HD13 ILE A 82 -0.681 10.785 0.123 1.00 54.31 H new ATOM 1266 N PRO A 83 0.106 13.080 -5.764 1.00 20.02 N ATOM 1267 CA PRO A 83 1.127 13.098 -6.852 1.00 70.33 C ATOM 1268 C PRO A 83 2.575 12.906 -6.330 1.00 61.41 C ATOM 1269 O PRO A 83 3.497 12.671 -7.116 1.00 1.12 O ATOM 1270 CB PRO A 83 0.919 14.501 -7.479 1.00 13.43 C ATOM 1271 CG PRO A 83 0.411 15.344 -6.346 1.00 60.54 C ATOM 1272 CD PRO A 83 -0.495 14.430 -5.548 1.00 35.42 C ATOM 0 HA PRO A 83 1.004 12.277 -7.558 1.00 70.33 H new ATOM 0 HB2 PRO A 83 1.850 14.898 -7.883 1.00 13.43 H new ATOM 0 HB3 PRO A 83 0.204 14.467 -8.301 1.00 13.43 H new ATOM 0 HG2 PRO A 83 1.232 15.717 -5.734 1.00 60.54 H new ATOM 0 HG3 PRO A 83 -0.133 16.214 -6.715 1.00 60.54 H new ATOM 0 HD2 PRO A 83 -0.510 14.700 -4.492 1.00 35.42 H new ATOM 0 HD3 PRO A 83 -1.525 14.474 -5.903 1.00 35.42 H new ATOM 1280 N GLU A 84 2.745 12.995 -4.997 1.00 5.43 N ATOM 1281 CA GLU A 84 4.054 12.867 -4.329 1.00 53.03 C ATOM 1282 C GLU A 84 4.594 11.421 -4.384 1.00 65.34 C ATOM 1283 O GLU A 84 5.816 11.206 -4.331 1.00 63.32 O ATOM 1284 CB GLU A 84 3.951 13.350 -2.855 1.00 52.30 C ATOM 1285 CG GLU A 84 3.425 14.795 -2.695 1.00 3.23 C ATOM 1286 CD GLU A 84 4.288 15.839 -3.424 1.00 51.21 C ATOM 1287 OE1 GLU A 84 5.394 16.160 -2.926 1.00 12.03 O ATOM 1288 OE2 GLU A 84 3.892 16.315 -4.516 1.00 51.11 O ATOM 0 H GLU A 84 1.974 13.159 -4.350 1.00 5.43 H new ATOM 0 HA GLU A 84 4.761 13.498 -4.867 1.00 53.03 H new ATOM 0 HB2 GLU A 84 3.294 12.674 -2.308 1.00 52.30 H new ATOM 0 HB3 GLU A 84 4.936 13.281 -2.392 1.00 52.30 H new ATOM 0 HG2 GLU A 84 2.405 14.847 -3.075 1.00 3.23 H new ATOM 0 HG3 GLU A 84 3.383 15.044 -1.635 1.00 3.23 H new ATOM 1295 N VAL A 85 3.676 10.442 -4.480 1.00 34.53 N ATOM 1296 CA VAL A 85 4.025 9.014 -4.543 1.00 2.22 C ATOM 1297 C VAL A 85 4.613 8.669 -5.930 1.00 51.12 C ATOM 1298 O VAL A 85 3.965 8.877 -6.954 1.00 33.11 O ATOM 1299 CB VAL A 85 2.770 8.114 -4.237 1.00 73.21 C ATOM 1300 CG1 VAL A 85 3.106 6.600 -4.323 1.00 54.43 C ATOM 1301 CG2 VAL A 85 2.161 8.469 -2.853 1.00 23.10 C ATOM 0 H VAL A 85 2.672 10.620 -4.516 1.00 34.53 H new ATOM 0 HA VAL A 85 4.779 8.812 -3.782 1.00 2.22 H new ATOM 0 HB VAL A 85 2.026 8.323 -5.005 1.00 73.21 H new ATOM 0 HG11 VAL A 85 2.212 6.016 -4.105 1.00 54.43 H new ATOM 0 HG12 VAL A 85 3.459 6.362 -5.326 1.00 54.43 H new ATOM 0 HG13 VAL A 85 3.883 6.358 -3.598 1.00 54.43 H new ATOM 0 HG21 VAL A 85 1.295 7.835 -2.663 1.00 23.10 H new ATOM 0 HG22 VAL A 85 2.907 8.307 -2.075 1.00 23.10 H new ATOM 0 HG23 VAL A 85 1.853 9.514 -2.848 1.00 23.10 H new ATOM 1311 N GLU A 86 5.855 8.172 -5.936 1.00 75.43 N ATOM 1312 CA GLU A 86 6.557 7.710 -7.148 1.00 20.41 C ATOM 1313 C GLU A 86 6.391 6.196 -7.334 1.00 40.35 C ATOM 1314 O GLU A 86 6.336 5.704 -8.467 1.00 40.13 O ATOM 1315 CB GLU A 86 8.057 8.095 -7.059 1.00 34.13 C ATOM 1316 CG GLU A 86 8.322 9.616 -7.130 1.00 23.21 C ATOM 1317 CD GLU A 86 7.954 10.223 -8.502 1.00 50.54 C ATOM 1318 OE1 GLU A 86 8.812 10.233 -9.416 1.00 4.20 O ATOM 1319 OE2 GLU A 86 6.804 10.677 -8.685 1.00 70.13 O ATOM 0 H GLU A 86 6.413 8.076 -5.088 1.00 75.43 H new ATOM 0 HA GLU A 86 6.118 8.198 -8.018 1.00 20.41 H new ATOM 0 HB2 GLU A 86 8.466 7.709 -6.125 1.00 34.13 H new ATOM 0 HB3 GLU A 86 8.596 7.605 -7.870 1.00 34.13 H new ATOM 0 HG2 GLU A 86 7.748 10.117 -6.350 1.00 23.21 H new ATOM 0 HG3 GLU A 86 9.375 9.807 -6.924 1.00 23.21 H new ATOM 1326 N GLY A 87 6.292 5.467 -6.214 1.00 52.42 N ATOM 1327 CA GLY A 87 6.165 4.018 -6.246 1.00 42.20 C ATOM 1328 C GLY A 87 5.850 3.414 -4.892 1.00 43.32 C ATOM 1329 O GLY A 87 5.671 4.129 -3.903 1.00 12.23 O ATOM 0 H GLY A 87 6.298 5.866 -5.275 1.00 52.42 H new ATOM 0 HA2 GLY A 87 5.379 3.745 -6.950 1.00 42.20 H new ATOM 0 HA3 GLY A 87 7.093 3.587 -6.621 1.00 42.20 H new ATOM 1333 N VAL A 88 5.763 2.078 -4.877 1.00 44.34 N ATOM 1334 CA VAL A 88 5.558 1.261 -3.672 1.00 31.44 C ATOM 1335 C VAL A 88 6.604 0.119 -3.681 1.00 73.42 C ATOM 1336 O VAL A 88 6.835 -0.504 -4.721 1.00 11.53 O ATOM 1337 CB VAL A 88 4.088 0.666 -3.623 1.00 60.54 C ATOM 1338 CG1 VAL A 88 3.908 -0.372 -2.482 1.00 44.22 C ATOM 1339 CG2 VAL A 88 3.023 1.790 -3.497 1.00 5.41 C ATOM 0 H VAL A 88 5.835 1.519 -5.727 1.00 44.34 H new ATOM 0 HA VAL A 88 5.683 1.882 -2.785 1.00 31.44 H new ATOM 0 HB VAL A 88 3.937 0.147 -4.570 1.00 60.54 H new ATOM 0 HG11 VAL A 88 2.885 -0.749 -2.491 1.00 44.22 H new ATOM 0 HG12 VAL A 88 4.601 -1.200 -2.630 1.00 44.22 H new ATOM 0 HG13 VAL A 88 4.111 0.103 -1.522 1.00 44.22 H new ATOM 0 HG21 VAL A 88 2.028 1.346 -3.466 1.00 5.41 H new ATOM 0 HG22 VAL A 88 3.197 2.355 -2.581 1.00 5.41 H new ATOM 0 HG23 VAL A 88 3.096 2.458 -4.355 1.00 5.41 H new ATOM 1349 N GLU A 89 7.252 -0.127 -2.531 1.00 4.12 N ATOM 1350 CA GLU A 89 8.226 -1.228 -2.358 1.00 44.22 C ATOM 1351 C GLU A 89 7.675 -2.252 -1.350 1.00 40.32 C ATOM 1352 O GLU A 89 7.025 -1.870 -0.374 1.00 52.22 O ATOM 1353 CB GLU A 89 9.595 -0.671 -1.871 1.00 75.23 C ATOM 1354 CG GLU A 89 10.678 -1.745 -1.606 1.00 25.44 C ATOM 1355 CD GLU A 89 12.040 -1.167 -1.196 1.00 3.03 C ATOM 1356 OE1 GLU A 89 12.091 -0.402 -0.213 1.00 71.12 O ATOM 1357 OE2 GLU A 89 13.067 -1.499 -1.827 1.00 70.13 O ATOM 0 H GLU A 89 7.118 0.432 -1.689 1.00 4.12 H new ATOM 0 HA GLU A 89 8.380 -1.720 -3.318 1.00 44.22 H new ATOM 0 HB2 GLU A 89 9.972 0.028 -2.617 1.00 75.23 H new ATOM 0 HB3 GLU A 89 9.435 -0.104 -0.954 1.00 75.23 H new ATOM 0 HG2 GLU A 89 10.327 -2.415 -0.821 1.00 25.44 H new ATOM 0 HG3 GLU A 89 10.806 -2.348 -2.505 1.00 25.44 H new ATOM 1364 N GLN A 90 7.931 -3.545 -1.600 1.00 65.01 N ATOM 1365 CA GLN A 90 7.570 -4.624 -0.673 1.00 55.33 C ATOM 1366 C GLN A 90 8.689 -4.802 0.374 1.00 52.54 C ATOM 1367 O GLN A 90 9.856 -4.995 0.014 1.00 21.03 O ATOM 1368 CB GLN A 90 7.364 -5.954 -1.441 1.00 33.44 C ATOM 1369 CG GLN A 90 7.097 -7.174 -0.524 1.00 11.25 C ATOM 1370 CD GLN A 90 7.166 -8.519 -1.233 1.00 61.44 C ATOM 1371 OE1 GLN A 90 7.893 -8.695 -2.215 1.00 1.20 O ATOM 1372 NE2 GLN A 90 6.423 -9.486 -0.732 1.00 62.41 N ATOM 0 H GLN A 90 8.393 -3.870 -2.449 1.00 65.01 H new ATOM 0 HA GLN A 90 6.638 -4.359 -0.174 1.00 55.33 H new ATOM 0 HB2 GLN A 90 6.526 -5.839 -2.129 1.00 33.44 H new ATOM 0 HB3 GLN A 90 8.248 -6.153 -2.046 1.00 33.44 H new ATOM 0 HG2 GLN A 90 7.823 -7.168 0.289 1.00 11.25 H new ATOM 0 HG3 GLN A 90 6.111 -7.065 -0.072 1.00 11.25 H new ATOM 0 HE21 GLN A 90 5.833 -9.307 0.081 1.00 62.41 H new ATOM 0 HE22 GLN A 90 6.438 -10.413 -1.157 1.00 62.41 H new ATOM 1381 N VAL A 91 8.324 -4.731 1.664 1.00 61.24 N ATOM 1382 CA VAL A 91 9.221 -5.042 2.786 1.00 5.33 C ATOM 1383 C VAL A 91 8.484 -6.008 3.755 1.00 63.51 C ATOM 1384 O VAL A 91 7.534 -5.623 4.430 1.00 55.03 O ATOM 1385 CB VAL A 91 9.704 -3.718 3.524 1.00 70.43 C ATOM 1386 CG1 VAL A 91 10.719 -2.921 2.661 1.00 70.13 C ATOM 1387 CG2 VAL A 91 8.514 -2.805 3.916 1.00 2.41 C ATOM 0 H VAL A 91 7.388 -4.453 1.959 1.00 61.24 H new ATOM 0 HA VAL A 91 10.122 -5.529 2.412 1.00 5.33 H new ATOM 0 HB VAL A 91 10.202 -4.040 4.439 1.00 70.43 H new ATOM 0 HG11 VAL A 91 11.027 -2.023 3.197 1.00 70.13 H new ATOM 0 HG12 VAL A 91 11.593 -3.541 2.461 1.00 70.13 H new ATOM 0 HG13 VAL A 91 10.251 -2.638 1.718 1.00 70.13 H new ATOM 0 HG21 VAL A 91 8.890 -1.913 4.417 1.00 2.41 H new ATOM 0 HG22 VAL A 91 7.967 -2.514 3.019 1.00 2.41 H new ATOM 0 HG23 VAL A 91 7.847 -3.345 4.588 1.00 2.41 H new ATOM 1397 N MET A 92 8.919 -7.287 3.807 1.00 31.23 N ATOM 1398 CA MET A 92 8.226 -8.337 4.595 1.00 31.21 C ATOM 1399 C MET A 92 8.808 -8.431 6.016 1.00 21.12 C ATOM 1400 O MET A 92 9.787 -9.144 6.250 1.00 33.52 O ATOM 1401 CB MET A 92 8.298 -9.721 3.880 1.00 61.34 C ATOM 1402 CG MET A 92 7.619 -9.778 2.504 1.00 55.32 C ATOM 1403 SD MET A 92 7.594 -11.449 1.809 1.00 54.44 S ATOM 1404 CE MET A 92 9.338 -11.828 1.654 1.00 21.31 C ATOM 0 H MET A 92 9.747 -7.619 3.313 1.00 31.23 H new ATOM 0 HA MET A 92 7.177 -8.053 4.672 1.00 31.21 H new ATOM 0 HB2 MET A 92 9.346 -9.998 3.763 1.00 61.34 H new ATOM 0 HB3 MET A 92 7.840 -10.471 4.525 1.00 61.34 H new ATOM 0 HG2 MET A 92 6.597 -9.410 2.592 1.00 55.32 H new ATOM 0 HG3 MET A 92 8.140 -9.111 1.818 1.00 55.32 H new ATOM 0 HE1 MET A 92 9.464 -12.716 1.034 1.00 21.31 H new ATOM 0 HE2 MET A 92 9.853 -10.987 1.191 1.00 21.31 H new ATOM 0 HE3 MET A 92 9.759 -12.012 2.642 1.00 21.31 H new ATOM 1414 N ASP A 93 8.213 -7.668 6.948 1.00 44.22 N ATOM 1415 CA ASP A 93 8.558 -7.710 8.387 1.00 44.41 C ATOM 1416 C ASP A 93 7.840 -8.900 9.065 1.00 71.03 C ATOM 1417 O ASP A 93 6.869 -8.744 9.793 1.00 40.23 O ATOM 1418 CB ASP A 93 8.218 -6.330 9.045 1.00 55.41 C ATOM 1419 CG ASP A 93 8.257 -6.312 10.591 1.00 4.22 C ATOM 1420 OD1 ASP A 93 9.329 -6.562 11.169 1.00 43.45 O ATOM 1421 OD2 ASP A 93 7.191 -6.072 11.222 1.00 1.22 O ATOM 0 H ASP A 93 7.475 -7.000 6.728 1.00 44.22 H new ATOM 0 HA ASP A 93 9.627 -7.874 8.520 1.00 44.41 H new ATOM 0 HB2 ASP A 93 8.919 -5.584 8.671 1.00 55.41 H new ATOM 0 HB3 ASP A 93 7.224 -6.025 8.719 1.00 55.41 H new ATOM 1426 N ASP A 94 8.309 -10.108 8.759 1.00 31.31 N ATOM 1427 CA ASP A 94 7.783 -11.346 9.347 1.00 5.32 C ATOM 1428 C ASP A 94 8.932 -12.358 9.402 1.00 52.52 C ATOM 1429 O ASP A 94 9.518 -12.674 8.363 1.00 34.03 O ATOM 1430 CB ASP A 94 6.573 -11.887 8.530 1.00 44.21 C ATOM 1431 CG ASP A 94 5.823 -13.025 9.251 1.00 21.43 C ATOM 1432 OD1 ASP A 94 6.254 -14.193 9.157 1.00 41.20 O ATOM 1433 OD2 ASP A 94 4.820 -12.748 9.950 1.00 45.33 O ATOM 0 H ASP A 94 9.067 -10.260 8.094 1.00 31.31 H new ATOM 0 HA ASP A 94 7.408 -11.160 10.353 1.00 5.32 H new ATOM 0 HB2 ASP A 94 5.880 -11.069 8.333 1.00 44.21 H new ATOM 0 HB3 ASP A 94 6.925 -12.246 7.563 1.00 44.21 H new ATOM 1438 N GLU A 95 9.262 -12.804 10.637 1.00 10.52 N ATOM 1439 CA GLU A 95 10.446 -13.642 10.980 1.00 44.15 C ATOM 1440 C GLU A 95 11.772 -13.068 10.400 1.00 52.32 C ATOM 1441 O GLU A 95 12.765 -13.787 10.236 1.00 25.51 O ATOM 1442 CB GLU A 95 10.240 -15.162 10.621 1.00 62.44 C ATOM 1443 CG GLU A 95 10.294 -15.545 9.124 1.00 24.43 C ATOM 1444 CD GLU A 95 10.179 -17.063 8.894 1.00 4.51 C ATOM 1445 OE1 GLU A 95 11.152 -17.792 9.195 1.00 51.42 O ATOM 1446 OE2 GLU A 95 9.128 -17.536 8.415 1.00 11.32 O ATOM 0 H GLU A 95 8.693 -12.585 11.455 1.00 10.52 H new ATOM 0 HA GLU A 95 10.542 -13.598 12.065 1.00 44.15 H new ATOM 0 HB2 GLU A 95 11.001 -15.740 11.146 1.00 62.44 H new ATOM 0 HB3 GLU A 95 9.273 -15.475 11.016 1.00 62.44 H new ATOM 0 HG2 GLU A 95 9.486 -15.039 8.595 1.00 24.43 H new ATOM 0 HG3 GLU A 95 11.230 -15.187 8.695 1.00 24.43 H new ATOM 1453 N SER A 96 11.794 -11.735 10.178 1.00 52.15 N ATOM 1454 CA SER A 96 12.889 -11.050 9.466 1.00 1.25 C ATOM 1455 C SER A 96 13.444 -9.858 10.275 1.00 13.53 C ATOM 1456 O SER A 96 14.381 -9.185 9.825 1.00 64.32 O ATOM 1457 CB SER A 96 12.376 -10.592 8.075 1.00 43.04 C ATOM 1458 OG SER A 96 13.420 -10.064 7.266 1.00 54.32 O ATOM 0 H SER A 96 11.053 -11.107 10.488 1.00 52.15 H new ATOM 0 HA SER A 96 13.716 -11.749 9.338 1.00 1.25 H new ATOM 0 HB2 SER A 96 11.914 -11.436 7.564 1.00 43.04 H new ATOM 0 HB3 SER A 96 11.602 -9.836 8.206 1.00 43.04 H new ATOM 0 HG SER A 96 14.113 -9.674 7.839 1.00 54.32 H new ATOM 1464 N ASP A 97 12.896 -9.621 11.480 1.00 71.22 N ATOM 1465 CA ASP A 97 13.350 -8.523 12.355 1.00 55.11 C ATOM 1466 C ASP A 97 12.981 -8.828 13.826 1.00 75.41 C ATOM 1467 O ASP A 97 13.895 -9.060 14.651 1.00 60.14 O ATOM 1468 CB ASP A 97 12.759 -7.156 11.901 1.00 63.24 C ATOM 1469 CG ASP A 97 13.253 -5.973 12.757 1.00 32.15 C ATOM 1470 OD1 ASP A 97 14.481 -5.753 12.829 1.00 73.24 O ATOM 1471 OD2 ASP A 97 12.426 -5.244 13.347 1.00 15.50 O ATOM 1472 OXT ASP A 97 11.776 -8.887 14.134 1.00 37.77 O ATOM 0 H ASP A 97 12.136 -10.177 11.872 1.00 71.22 H new ATOM 0 HA ASP A 97 14.435 -8.449 12.277 1.00 55.11 H new ATOM 0 HB2 ASP A 97 13.025 -6.979 10.859 1.00 63.24 H new ATOM 0 HB3 ASP A 97 11.671 -7.203 11.949 1.00 63.24 H new TER 1477 ASP A 97