USER MOD reduce.3.24.130724 H: found=0, std=0, add=905, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 905 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 106 ASN :FLIP amide:sc= 0.296 F(o=-1.8,f=0.086) USER MOD Set 1.2: A 109 HIS : no HE2:sc= -0.21 K(o=0.086,f=-6.5!) USER MOD Set 2.1: A 1 MET CE :methyl -137:sc= -1.42 (180deg=-2.72!) USER MOD Set 2.2: A 92 GLN : amide:sc=-0.00644 K(o=-1.4,f=-4.3) USER MOD Set 3.1: A 71 SER OG : rot 180:sc= 0.0946 USER MOD Set 3.2: A 72 LYS NZ :NH3+ 178:sc= 0.0907 (180deg=-0.0143) USER MOD Set 4.1: A 32 GLN : amide:sc= 0.843 K(o=1.5,f=0.33) USER MOD Set 4.2: A 55 LYS NZ :NH3+ -170:sc= 0.697 (180deg=0.635) USER MOD Set 5.1: A 43 ASN : amide:sc= 0.727 K(o=0.39,f=-2.7) USER MOD Set 5.2: A 79 CYS SG : rot -120:sc= -0.0539 USER MOD Set 5.3: A 82 HIS : +bothHN:sc= -0.284 K(o=0.39,f=-13!) USER MOD Set 6.1: A 38 LYS NZ :NH3+ -135:sc= -1.44 (180deg=-4.03!) USER MOD Set 6.2: A 41 GLN : amide:sc= -2.45 K(o=-3.9,f=-5.4!) USER MOD Set 7.1: A 14 GLN : amide:sc= -0.345 X(o=-1.7,f=-2) USER MOD Set 7.2: A 15 ASN : amide:sc= -1.32 K(o=-1.7,f=-2.5) USER MOD Single : A 1 MET N :NH3+ -175:sc= -0.0767 (180deg=-0.1) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -0.0126 X(o=-0.013,f=-0.49) USER MOD Single : A 4 THR OG1 : rot 33:sc= 0.391 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -149:sc= 0.978 (180deg=0.324) USER MOD Single : A 25 THR OG1 : rot -109:sc= -0.526 USER MOD Single : A 27 HIS : no HE2:sc= -0.154 K(o=-0.15,f=-1.3) USER MOD Single : A 28 LYS NZ :NH3+ -134:sc= -1.76 (180deg=-4.4!) USER MOD Single : A 30 ASN : amide:sc=-0.00344 X(o=-0.0034,f=-0.053) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -171:sc=-0.00632 (180deg=-0.105) USER MOD Single : A 42 TYR OH : rot -163:sc= 0.447 USER MOD Single : A 45 MET CE :methyl -161:sc= -0.114 (180deg=-0.595) USER MOD Single : A 58 ASN : amide:sc= 0.157 K(o=0.16,f=-0.75) USER MOD Single : A 59 SER OG : rot 180:sc= -0.945 USER MOD Single : A 62 GLN : amide:sc= -1.15 X(o=-1.2,f=-0.88) USER MOD Single : A 66 LYS NZ :NH3+ 171:sc=-0.00657 (180deg=-0.114) USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -166:sc= -0.0239 (180deg=-0.217) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot -108:sc= 1.23 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 149:sc= -2.53! (180deg=-4.62!) USER MOD Single : A 95 SER OG : rot -36:sc= 0.582 USER MOD Single : A 96 LYS NZ :NH3+ 153:sc= 1.24 (180deg=0.768) USER MOD Single : A 100 THR OG1 : rot 23:sc= 0.0911 USER MOD Single : A 110 HIS : no HD1:sc= -1.03 X(o=-1,f=-0.8) USER MOD Single : A 111 HIS : no HD1:sc= -0.0658 X(o=-0.066,f=-0.56) USER MOD Single : A 112 HIS : no HD1:sc= -0.939 K(o=-0.94,f=-2.2!) USER MOD Single : A 113 HIS : no HD1:sc= -0.217 X(o=-0.22,f=-0.22) USER MOD Single : A 114 HIS : no HE2:sc= 0.0544 K(o=0.054,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 28.592 -4.733 1.695 1.00 21.12 N ATOM 2 CA MET A 1 27.576 -4.706 0.611 1.00 41.01 C ATOM 3 C MET A 1 28.035 -5.473 -0.643 1.00 1.31 C ATOM 4 O MET A 1 27.351 -5.467 -1.668 1.00 1.11 O ATOM 5 CB MET A 1 27.217 -3.262 0.242 1.00 24.21 C ATOM 6 CG MET A 1 26.606 -2.477 1.397 1.00 1.24 C ATOM 7 SD MET A 1 25.298 -3.391 2.243 1.00 42.11 S ATOM 8 CE MET A 1 24.194 -3.790 0.887 1.00 44.24 C ATOM 0 H1 MET A 1 28.204 -4.277 2.546 1.00 21.12 H new ATOM 0 H2 MET A 1 28.841 -5.719 1.913 1.00 21.12 H new ATOM 0 H3 MET A 1 29.443 -4.221 1.386 1.00 21.12 H new ATOM 0 HA MET A 1 26.690 -5.210 0.997 1.00 41.01 H new ATOM 0 HB2 MET A 1 28.115 -2.749 -0.102 1.00 24.21 H new ATOM 0 HB3 MET A 1 26.516 -3.271 -0.592 1.00 24.21 H new ATOM 0 HG2 MET A 1 27.388 -2.223 2.113 1.00 1.24 H new ATOM 0 HG3 MET A 1 26.202 -1.538 1.020 1.00 1.24 H new ATOM 0 HE1 MET A 1 23.162 -3.626 1.198 1.00 44.24 H new ATOM 0 HE2 MET A 1 24.421 -3.152 0.033 1.00 44.24 H new ATOM 0 HE3 MET A 1 24.327 -4.835 0.605 1.00 44.24 H new ATOM 20 N LYS A 2 29.196 -6.129 -0.574 1.00 15.22 N ATOM 21 CA LYS A 2 29.632 -7.022 -1.655 1.00 24.21 C ATOM 22 C LYS A 2 28.680 -8.220 -1.771 1.00 54.13 C ATOM 23 O LYS A 2 28.440 -8.743 -2.859 1.00 12.04 O ATOM 24 CB LYS A 2 31.070 -7.500 -1.414 1.00 64.50 C ATOM 25 CG LYS A 2 32.094 -6.371 -1.400 1.00 23.41 C ATOM 26 CD LYS A 2 33.507 -6.887 -1.143 1.00 4.52 C ATOM 27 CE LYS A 2 34.528 -5.755 -1.141 1.00 51.22 C ATOM 28 NZ LYS A 2 35.903 -6.244 -0.862 1.00 75.01 N ATOM 0 H LYS A 2 29.846 -6.061 0.209 1.00 15.22 H new ATOM 0 HA LYS A 2 29.609 -6.467 -2.593 1.00 24.21 H new ATOM 0 HB2 LYS A 2 31.113 -8.030 -0.463 1.00 64.50 H new ATOM 0 HB3 LYS A 2 31.341 -8.216 -2.190 1.00 64.50 H new ATOM 0 HG2 LYS A 2 32.068 -5.845 -2.354 1.00 23.41 H new ATOM 0 HG3 LYS A 2 31.826 -5.648 -0.630 1.00 23.41 H new ATOM 0 HD2 LYS A 2 33.537 -7.406 -0.185 1.00 4.52 H new ATOM 0 HD3 LYS A 2 33.773 -7.616 -1.908 1.00 4.52 H new ATOM 0 HE2 LYS A 2 34.512 -5.251 -2.107 1.00 51.22 H new ATOM 0 HE3 LYS A 2 34.247 -5.015 -0.391 1.00 51.22 H new ATOM 0 HZ1 LYS A 2 36.565 -5.442 -0.870 1.00 75.01 H new ATOM 0 HZ2 LYS A 2 35.926 -6.702 0.071 1.00 75.01 H new ATOM 0 HZ3 LYS A 2 36.182 -6.930 -1.592 1.00 75.01 H new ATOM 42 N ASN A 3 28.145 -8.644 -0.628 1.00 32.24 N ATOM 43 CA ASN A 3 27.096 -9.661 -0.585 1.00 64.42 C ATOM 44 C ASN A 3 25.777 -9.083 -1.132 1.00 42.23 C ATOM 45 O ASN A 3 25.224 -8.137 -0.564 1.00 15.14 O ATOM 46 CB ASN A 3 26.911 -10.141 0.861 1.00 22.23 C ATOM 47 CG ASN A 3 28.220 -10.591 1.487 1.00 11.44 C ATOM 48 OD1 ASN A 3 28.980 -9.782 2.014 1.00 64.04 O ATOM 49 ND2 ASN A 3 28.492 -11.879 1.452 1.00 44.33 N ATOM 0 H ASN A 3 28.424 -8.295 0.289 1.00 32.24 H new ATOM 0 HA ASN A 3 27.385 -10.508 -1.208 1.00 64.42 H new ATOM 0 HB2 ASN A 3 26.483 -9.336 1.458 1.00 22.23 H new ATOM 0 HB3 ASN A 3 26.198 -10.966 0.880 1.00 22.23 H new ATOM 0 HD21 ASN A 3 29.354 -12.230 1.870 1.00 44.33 H new ATOM 0 HD22 ASN A 3 27.841 -12.526 1.007 1.00 44.33 H new ATOM 56 N THR A 4 25.287 -9.653 -2.228 1.00 62.52 N ATOM 57 CA THR A 4 24.089 -9.140 -2.920 1.00 74.10 C ATOM 58 C THR A 4 22.880 -8.989 -1.978 1.00 33.44 C ATOM 59 O THR A 4 22.435 -9.961 -1.365 1.00 14.21 O ATOM 60 CB THR A 4 23.694 -10.069 -4.089 1.00 51.24 C ATOM 61 OG1 THR A 4 23.453 -11.399 -3.603 1.00 62.21 O ATOM 62 CG2 THR A 4 24.793 -10.103 -5.148 1.00 31.20 C ATOM 0 H THR A 4 25.698 -10.477 -2.666 1.00 62.52 H new ATOM 0 HA THR A 4 24.355 -8.152 -3.296 1.00 74.10 H new ATOM 0 HB THR A 4 22.783 -9.678 -4.542 1.00 51.24 H new ATOM 0 HG1 THR A 4 23.073 -11.354 -2.701 1.00 62.21 H new ATOM 0 HG21 THR A 4 24.494 -10.763 -5.962 1.00 31.20 H new ATOM 0 HG22 THR A 4 24.955 -9.098 -5.537 1.00 31.20 H new ATOM 0 HG23 THR A 4 25.717 -10.472 -4.702 1.00 31.20 H new ATOM 70 N GLY A 5 22.349 -7.767 -1.881 1.00 51.21 N ATOM 71 CA GLY A 5 21.233 -7.493 -0.976 1.00 55.33 C ATOM 72 C GLY A 5 20.013 -6.890 -1.671 1.00 10.51 C ATOM 73 O GLY A 5 19.704 -5.710 -1.494 1.00 13.45 O ATOM 0 H GLY A 5 22.671 -6.959 -2.414 1.00 51.21 H new ATOM 0 HA2 GLY A 5 20.939 -8.421 -0.485 1.00 55.33 H new ATOM 0 HA3 GLY A 5 21.569 -6.811 -0.195 1.00 55.33 H new ATOM 77 N ASP A 6 19.314 -7.699 -2.466 1.00 50.22 N ATOM 78 CA ASP A 6 18.073 -7.266 -3.126 1.00 44.30 C ATOM 79 C ASP A 6 16.911 -7.225 -2.113 1.00 23.34 C ATOM 80 O ASP A 6 16.038 -8.100 -2.107 1.00 13.41 O ATOM 81 CB ASP A 6 17.724 -8.219 -4.281 1.00 74.42 C ATOM 82 CG ASP A 6 18.904 -8.498 -5.196 1.00 11.15 C ATOM 83 OD1 ASP A 6 19.686 -9.426 -4.886 1.00 34.22 O ATOM 84 OD2 ASP A 6 19.046 -7.811 -6.231 1.00 22.31 O ATOM 0 H ASP A 6 19.583 -8.661 -2.672 1.00 50.22 H new ATOM 0 HA ASP A 6 18.227 -6.264 -3.526 1.00 44.30 H new ATOM 0 HB2 ASP A 6 17.359 -9.160 -3.871 1.00 74.42 H new ATOM 0 HB3 ASP A 6 16.911 -7.790 -4.866 1.00 74.42 H new ATOM 89 N GLU A 7 16.918 -6.220 -1.238 1.00 44.41 N ATOM 90 CA GLU A 7 15.915 -6.112 -0.165 1.00 45.44 C ATOM 91 C GLU A 7 15.104 -4.809 -0.267 1.00 53.35 C ATOM 92 O GLU A 7 15.610 -3.722 0.011 1.00 11.03 O ATOM 93 CB GLU A 7 16.601 -6.213 1.209 1.00 70.21 C ATOM 94 CG GLU A 7 17.293 -7.555 1.450 1.00 31.24 C ATOM 95 CD GLU A 7 17.952 -7.653 2.819 1.00 25.13 C ATOM 96 OE1 GLU A 7 17.224 -7.722 3.832 1.00 53.14 O ATOM 97 OE2 GLU A 7 19.197 -7.691 2.883 1.00 43.04 O ATOM 0 H GLU A 7 17.605 -5.466 -1.246 1.00 44.41 H new ATOM 0 HA GLU A 7 15.215 -6.939 -0.279 1.00 45.44 H new ATOM 0 HB2 GLU A 7 17.336 -5.413 1.298 1.00 70.21 H new ATOM 0 HB3 GLU A 7 15.858 -6.051 1.990 1.00 70.21 H new ATOM 0 HG2 GLU A 7 16.562 -8.357 1.348 1.00 31.24 H new ATOM 0 HG3 GLU A 7 18.047 -7.711 0.679 1.00 31.24 H new ATOM 104 N VAL A 8 13.835 -4.936 -0.655 1.00 3.02 N ATOM 105 CA VAL A 8 12.948 -3.778 -0.835 1.00 62.41 C ATOM 106 C VAL A 8 11.849 -3.715 0.246 1.00 14.43 C ATOM 107 O VAL A 8 11.339 -4.742 0.702 1.00 34.41 O ATOM 108 CB VAL A 8 12.288 -3.788 -2.241 1.00 60.11 C ATOM 109 CG1 VAL A 8 13.345 -3.665 -3.337 1.00 3.41 C ATOM 110 CG2 VAL A 8 11.445 -5.046 -2.443 1.00 42.32 C ATOM 0 H VAL A 8 13.393 -5.834 -0.853 1.00 3.02 H new ATOM 0 HA VAL A 8 13.576 -2.892 -0.738 1.00 62.41 H new ATOM 0 HB VAL A 8 11.626 -2.925 -2.306 1.00 60.11 H new ATOM 0 HG11 VAL A 8 12.860 -3.674 -4.313 1.00 3.41 H new ATOM 0 HG12 VAL A 8 13.891 -2.730 -3.212 1.00 3.41 H new ATOM 0 HG13 VAL A 8 14.039 -4.503 -3.269 1.00 3.41 H new ATOM 0 HG21 VAL A 8 10.995 -5.027 -3.435 1.00 42.32 H new ATOM 0 HG22 VAL A 8 12.079 -5.928 -2.349 1.00 42.32 H new ATOM 0 HG23 VAL A 8 10.659 -5.082 -1.689 1.00 42.32 H new ATOM 120 N VAL A 9 11.489 -2.497 0.651 1.00 42.24 N ATOM 121 CA VAL A 9 10.472 -2.276 1.685 1.00 24.43 C ATOM 122 C VAL A 9 9.337 -1.368 1.175 1.00 54.32 C ATOM 123 O VAL A 9 9.579 -0.384 0.471 1.00 10.42 O ATOM 124 CB VAL A 9 11.096 -1.652 2.964 1.00 5.44 C ATOM 125 CG1 VAL A 9 12.132 -2.597 3.578 1.00 43.05 C ATOM 126 CG2 VAL A 9 11.717 -0.280 2.669 1.00 53.12 C ATOM 0 H VAL A 9 11.891 -1.638 0.275 1.00 42.24 H new ATOM 0 HA VAL A 9 10.056 -3.253 1.932 1.00 24.43 H new ATOM 0 HB VAL A 9 10.295 -1.505 3.688 1.00 5.44 H new ATOM 0 HG11 VAL A 9 12.556 -2.140 4.472 1.00 43.05 H new ATOM 0 HG12 VAL A 9 11.653 -3.539 3.844 1.00 43.05 H new ATOM 0 HG13 VAL A 9 12.926 -2.785 2.855 1.00 43.05 H new ATOM 0 HG21 VAL A 9 12.145 0.130 3.584 1.00 53.12 H new ATOM 0 HG22 VAL A 9 12.500 -0.389 1.919 1.00 53.12 H new ATOM 0 HG23 VAL A 9 10.947 0.395 2.294 1.00 53.12 H new ATOM 136 N ALA A 10 8.098 -1.709 1.523 1.00 13.14 N ATOM 137 CA ALA A 10 6.928 -0.919 1.125 1.00 54.50 C ATOM 138 C ALA A 10 6.498 0.043 2.243 1.00 11.21 C ATOM 139 O ALA A 10 6.164 -0.384 3.354 1.00 53.31 O ATOM 140 CB ALA A 10 5.774 -1.839 0.746 1.00 34.44 C ATOM 0 H ALA A 10 7.875 -2.532 2.083 1.00 13.14 H new ATOM 0 HA ALA A 10 7.205 -0.322 0.257 1.00 54.50 H new ATOM 0 HB1 ALA A 10 4.912 -1.240 0.453 1.00 34.44 H new ATOM 0 HB2 ALA A 10 6.074 -2.475 -0.087 1.00 34.44 H new ATOM 0 HB3 ALA A 10 5.509 -2.461 1.601 1.00 34.44 H new ATOM 146 N ILE A 11 6.509 1.338 1.949 1.00 12.21 N ATOM 147 CA ILE A 11 6.136 2.365 2.930 1.00 52.21 C ATOM 148 C ILE A 11 4.730 2.920 2.641 1.00 1.45 C ATOM 149 O ILE A 11 4.513 3.566 1.614 1.00 3.13 O ATOM 150 CB ILE A 11 7.154 3.537 2.920 1.00 54.15 C ATOM 151 CG1 ILE A 11 8.598 3.009 3.021 1.00 33.31 C ATOM 152 CG2 ILE A 11 6.856 4.525 4.049 1.00 74.44 C ATOM 153 CD1 ILE A 11 8.878 2.194 4.268 1.00 54.14 C ATOM 0 H ILE A 11 6.773 1.709 1.036 1.00 12.21 H new ATOM 0 HA ILE A 11 6.140 1.891 3.912 1.00 52.21 H new ATOM 0 HB ILE A 11 7.053 4.066 1.972 1.00 54.15 H new ATOM 0 HG12 ILE A 11 8.810 2.396 2.145 1.00 33.31 H new ATOM 0 HG13 ILE A 11 9.285 3.855 2.992 1.00 33.31 H new ATOM 0 HG21 ILE A 11 7.582 5.338 4.022 1.00 74.44 H new ATOM 0 HG22 ILE A 11 5.852 4.931 3.922 1.00 74.44 H new ATOM 0 HG23 ILE A 11 6.921 4.012 5.008 1.00 74.44 H new ATOM 0 HD11 ILE A 11 9.916 1.861 4.260 1.00 54.14 H new ATOM 0 HD12 ILE A 11 8.701 2.808 5.151 1.00 54.14 H new ATOM 0 HD13 ILE A 11 8.219 1.326 4.291 1.00 54.14 H new ATOM 165 N ILE A 12 3.777 2.658 3.538 1.00 12.01 N ATOM 166 CA ILE A 12 2.402 3.147 3.378 1.00 3.34 C ATOM 167 C ILE A 12 2.171 4.423 4.214 1.00 51.23 C ATOM 168 O ILE A 12 2.407 4.437 5.428 1.00 14.12 O ATOM 169 CB ILE A 12 1.349 2.071 3.780 1.00 75.40 C ATOM 170 CG1 ILE A 12 1.475 0.800 2.907 1.00 21.11 C ATOM 171 CG2 ILE A 12 -0.068 2.641 3.673 1.00 72.30 C ATOM 172 CD1 ILE A 12 2.691 -0.056 3.205 1.00 23.24 C ATOM 0 H ILE A 12 3.930 2.110 4.384 1.00 12.01 H new ATOM 0 HA ILE A 12 2.273 3.376 2.320 1.00 3.34 H new ATOM 0 HB ILE A 12 1.544 1.791 4.815 1.00 75.40 H new ATOM 0 HG12 ILE A 12 0.579 0.194 3.041 1.00 21.11 H new ATOM 0 HG13 ILE A 12 1.505 1.097 1.859 1.00 21.11 H new ATOM 0 HG21 ILE A 12 -0.790 1.876 3.957 1.00 72.30 H new ATOM 0 HG22 ILE A 12 -0.166 3.498 4.339 1.00 72.30 H new ATOM 0 HG23 ILE A 12 -0.257 2.955 2.647 1.00 72.30 H new ATOM 0 HD11 ILE A 12 2.696 -0.924 2.545 1.00 23.24 H new ATOM 0 HD12 ILE A 12 3.596 0.529 3.042 1.00 23.24 H new ATOM 0 HD13 ILE A 12 2.656 -0.389 4.242 1.00 23.24 H new ATOM 184 N SER A 13 1.704 5.486 3.561 1.00 3.32 N ATOM 185 CA SER A 13 1.505 6.793 4.217 1.00 14.01 C ATOM 186 C SER A 13 0.098 7.356 3.972 1.00 40.33 C ATOM 187 O SER A 13 -0.537 7.061 2.959 1.00 24.14 O ATOM 188 CB SER A 13 2.549 7.797 3.706 1.00 12.55 C ATOM 189 OG SER A 13 2.354 9.085 4.270 1.00 42.12 O ATOM 0 H SER A 13 1.453 5.475 2.572 1.00 3.32 H new ATOM 0 HA SER A 13 1.622 6.639 5.290 1.00 14.01 H new ATOM 0 HB2 SER A 13 3.549 7.439 3.951 1.00 12.55 H new ATOM 0 HB3 SER A 13 2.491 7.862 2.619 1.00 12.55 H new ATOM 0 HG SER A 13 3.035 9.699 3.926 1.00 42.12 H new ATOM 195 N GLN A 14 -0.376 8.173 4.911 1.00 41.22 N ATOM 196 CA GLN A 14 -1.675 8.850 4.790 1.00 32.42 C ATOM 197 C GLN A 14 -1.634 10.230 5.464 1.00 13.10 C ATOM 198 O GLN A 14 -0.984 10.403 6.496 1.00 41.11 O ATOM 199 CB GLN A 14 -2.801 8.008 5.421 1.00 65.20 C ATOM 200 CG GLN A 14 -4.177 8.676 5.349 1.00 40.03 C ATOM 201 CD GLN A 14 -5.255 7.921 6.110 1.00 33.22 C ATOM 202 OE1 GLN A 14 -5.483 8.156 7.294 1.00 2.12 O ATOM 203 NE2 GLN A 14 -5.939 7.018 5.435 1.00 23.55 N ATOM 0 H GLN A 14 0.123 8.386 5.775 1.00 41.22 H new ATOM 0 HA GLN A 14 -1.880 8.974 3.727 1.00 32.42 H new ATOM 0 HB2 GLN A 14 -2.848 7.043 4.917 1.00 65.20 H new ATOM 0 HB3 GLN A 14 -2.556 7.811 6.465 1.00 65.20 H new ATOM 0 HG2 GLN A 14 -4.103 9.688 5.747 1.00 40.03 H new ATOM 0 HG3 GLN A 14 -4.475 8.765 4.304 1.00 40.03 H new ATOM 0 HE21 GLN A 14 -5.726 6.846 4.453 1.00 23.55 H new ATOM 0 HE22 GLN A 14 -6.682 6.492 5.895 1.00 23.55 H new ATOM 212 N ASN A 15 -2.314 11.212 4.865 1.00 54.02 N ATOM 213 CA ASN A 15 -2.428 12.566 5.445 1.00 74.33 C ATOM 214 C ASN A 15 -1.060 13.258 5.594 1.00 61.40 C ATOM 215 O ASN A 15 -0.945 14.280 6.273 1.00 50.22 O ATOM 216 CB ASN A 15 -3.128 12.501 6.812 1.00 41.31 C ATOM 217 CG ASN A 15 -4.539 11.949 6.718 1.00 53.13 C ATOM 218 OD1 ASN A 15 -5.244 12.167 5.740 1.00 2.33 O ATOM 219 ND2 ASN A 15 -4.961 11.218 7.727 1.00 5.13 N ATOM 0 H ASN A 15 -2.798 11.100 3.974 1.00 54.02 H new ATOM 0 HA ASN A 15 -3.023 13.161 4.752 1.00 74.33 H new ATOM 0 HB2 ASN A 15 -2.542 11.878 7.487 1.00 41.31 H new ATOM 0 HB3 ASN A 15 -3.160 13.500 7.248 1.00 41.31 H new ATOM 0 HD21 ASN A 15 -5.898 10.815 7.708 1.00 5.13 H new ATOM 0 HD22 ASN A 15 -4.351 11.054 8.528 1.00 5.13 H new ATOM 226 N GLY A 16 -0.038 12.711 4.946 1.00 31.22 N ATOM 227 CA GLY A 16 1.304 13.281 5.031 1.00 23.24 C ATOM 228 C GLY A 16 2.164 12.658 6.129 1.00 3.45 C ATOM 229 O GLY A 16 3.186 13.226 6.522 1.00 62.33 O ATOM 0 H GLY A 16 -0.110 11.880 4.360 1.00 31.22 H new ATOM 0 HA2 GLY A 16 1.805 13.153 4.072 1.00 23.24 H new ATOM 0 HA3 GLY A 16 1.224 14.353 5.208 1.00 23.24 H new ATOM 233 N LYS A 17 1.754 11.493 6.634 1.00 61.35 N ATOM 234 CA LYS A 17 2.541 10.766 7.642 1.00 15.44 C ATOM 235 C LYS A 17 2.557 9.257 7.354 1.00 40.40 C ATOM 236 O LYS A 17 1.541 8.682 6.959 1.00 30.23 O ATOM 237 CB LYS A 17 1.978 11.001 9.057 1.00 24.32 C ATOM 238 CG LYS A 17 0.614 10.350 9.303 1.00 53.00 C ATOM 239 CD LYS A 17 0.195 10.416 10.773 1.00 54.12 C ATOM 240 CE LYS A 17 1.160 9.653 11.679 1.00 33.12 C ATOM 241 NZ LYS A 17 1.216 8.192 11.364 1.00 52.24 N ATOM 0 H LYS A 17 0.885 11.031 6.365 1.00 61.35 H new ATOM 0 HA LYS A 17 3.560 11.150 7.590 1.00 15.44 H new ATOM 0 HB2 LYS A 17 2.689 10.616 9.788 1.00 24.32 H new ATOM 0 HB3 LYS A 17 1.893 12.074 9.229 1.00 24.32 H new ATOM 0 HG2 LYS A 17 -0.139 10.846 8.690 1.00 53.00 H new ATOM 0 HG3 LYS A 17 0.648 9.308 8.984 1.00 53.00 H new ATOM 0 HD2 LYS A 17 0.148 11.458 11.090 1.00 54.12 H new ATOM 0 HD3 LYS A 17 -0.808 10.004 10.883 1.00 54.12 H new ATOM 0 HE2 LYS A 17 2.158 10.080 11.581 1.00 33.12 H new ATOM 0 HE3 LYS A 17 0.858 9.785 12.718 1.00 33.12 H new ATOM 0 HZ1 LYS A 17 1.416 7.657 12.233 1.00 52.24 H new ATOM 0 HZ2 LYS A 17 0.303 7.886 10.972 1.00 52.24 H new ATOM 0 HZ3 LYS A 17 1.968 8.016 10.668 1.00 52.24 H new ATOM 255 N VAL A 18 3.700 8.613 7.567 1.00 55.20 N ATOM 256 CA VAL A 18 3.790 7.157 7.435 1.00 22.35 C ATOM 257 C VAL A 18 2.882 6.475 8.471 1.00 40.12 C ATOM 258 O VAL A 18 2.933 6.800 9.659 1.00 24.41 O ATOM 259 CB VAL A 18 5.246 6.659 7.613 1.00 33.41 C ATOM 260 CG1 VAL A 18 5.325 5.142 7.458 1.00 33.00 C ATOM 261 CG2 VAL A 18 6.180 7.359 6.625 1.00 10.05 C ATOM 0 H VAL A 18 4.573 9.070 7.830 1.00 55.20 H new ATOM 0 HA VAL A 18 3.461 6.895 6.429 1.00 22.35 H new ATOM 0 HB VAL A 18 5.571 6.910 8.623 1.00 33.41 H new ATOM 0 HG11 VAL A 18 6.357 4.816 7.587 1.00 33.00 H new ATOM 0 HG12 VAL A 18 4.697 4.666 8.211 1.00 33.00 H new ATOM 0 HG13 VAL A 18 4.977 4.859 6.465 1.00 33.00 H new ATOM 0 HG21 VAL A 18 7.198 6.995 6.766 1.00 10.05 H new ATOM 0 HG22 VAL A 18 5.857 7.147 5.606 1.00 10.05 H new ATOM 0 HG23 VAL A 18 6.152 8.435 6.798 1.00 10.05 H new ATOM 271 N ILE A 19 2.030 5.563 8.020 1.00 74.03 N ATOM 272 CA ILE A 19 1.087 4.885 8.918 1.00 33.32 C ATOM 273 C ILE A 19 1.452 3.407 9.142 1.00 11.42 C ATOM 274 O ILE A 19 1.155 2.844 10.196 1.00 41.54 O ATOM 275 CB ILE A 19 -0.370 4.986 8.391 1.00 1.03 C ATOM 276 CG1 ILE A 19 -0.494 4.349 6.995 1.00 63.34 C ATOM 277 CG2 ILE A 19 -0.825 6.449 8.360 1.00 60.34 C ATOM 278 CD1 ILE A 19 -1.892 4.412 6.415 1.00 1.23 C ATOM 0 H ILE A 19 1.968 5.273 7.044 1.00 74.03 H new ATOM 0 HA ILE A 19 1.157 5.401 9.876 1.00 33.32 H new ATOM 0 HB ILE A 19 -1.019 4.435 9.071 1.00 1.03 H new ATOM 0 HG12 ILE A 19 0.194 4.851 6.315 1.00 63.34 H new ATOM 0 HG13 ILE A 19 -0.182 3.306 7.053 1.00 63.34 H new ATOM 0 HG21 ILE A 19 -1.848 6.504 7.988 1.00 60.34 H new ATOM 0 HG22 ILE A 19 -0.782 6.865 9.367 1.00 60.34 H new ATOM 0 HG23 ILE A 19 -0.169 7.020 7.703 1.00 60.34 H new ATOM 0 HD11 ILE A 19 -1.899 3.943 5.431 1.00 1.23 H new ATOM 0 HD12 ILE A 19 -2.583 3.885 7.073 1.00 1.23 H new ATOM 0 HD13 ILE A 19 -2.201 5.453 6.323 1.00 1.23 H new ATOM 290 N ARG A 20 2.099 2.783 8.157 1.00 53.50 N ATOM 291 CA ARG A 20 2.469 1.366 8.261 1.00 1.01 C ATOM 292 C ARG A 20 3.551 0.989 7.234 1.00 4.21 C ATOM 293 O ARG A 20 3.503 1.413 6.082 1.00 52.41 O ATOM 294 CB ARG A 20 1.213 0.492 8.080 1.00 14.14 C ATOM 295 CG ARG A 20 1.454 -1.011 8.223 1.00 32.02 C ATOM 296 CD ARG A 20 2.165 -1.364 9.529 1.00 71.34 C ATOM 297 NE ARG A 20 1.495 -0.819 10.708 1.00 43.25 N ATOM 298 CZ ARG A 20 1.935 -0.963 11.929 1.00 43.34 C ATOM 299 NH1 ARG A 20 3.053 -1.568 12.165 1.00 14.54 N ATOM 300 NH2 ARG A 20 1.270 -0.457 12.911 1.00 4.42 N ATOM 0 H ARG A 20 2.377 3.230 7.283 1.00 53.50 H new ATOM 0 HA ARG A 20 2.890 1.189 9.251 1.00 1.01 H new ATOM 0 HB2 ARG A 20 0.466 0.798 8.812 1.00 14.14 H new ATOM 0 HB3 ARG A 20 0.791 0.686 7.094 1.00 14.14 H new ATOM 0 HG2 ARG A 20 0.499 -1.535 8.179 1.00 32.02 H new ATOM 0 HG3 ARG A 20 2.050 -1.363 7.381 1.00 32.02 H new ATOM 0 HD2 ARG A 20 2.227 -2.448 9.621 1.00 71.34 H new ATOM 0 HD3 ARG A 20 3.188 -0.989 9.493 1.00 71.34 H new ATOM 0 HE ARG A 20 0.631 -0.294 10.569 1.00 43.25 H new ATOM 0 HH11 ARG A 20 3.604 -1.941 11.392 1.00 14.54 H new ATOM 0 HH12 ARG A 20 3.384 -1.673 13.124 1.00 14.54 H new ATOM 0 HH21 ARG A 20 0.405 0.053 12.732 1.00 4.42 H new ATOM 0 HH22 ARG A 20 1.609 -0.567 13.867 1.00 4.42 H new ATOM 314 N GLU A 21 4.531 0.187 7.664 1.00 31.22 N ATOM 315 CA GLU A 21 5.656 -0.207 6.799 1.00 12.35 C ATOM 316 C GLU A 21 5.789 -1.738 6.709 1.00 71.14 C ATOM 317 O GLU A 21 5.997 -2.410 7.720 1.00 22.10 O ATOM 318 CB GLU A 21 6.963 0.388 7.346 1.00 30.33 C ATOM 319 CG GLU A 21 6.912 1.899 7.569 1.00 34.55 C ATOM 320 CD GLU A 21 8.167 2.442 8.238 1.00 71.03 C ATOM 321 OE1 GLU A 21 8.462 2.029 9.381 1.00 2.25 O ATOM 322 OE2 GLU A 21 8.858 3.292 7.636 1.00 23.44 O ATOM 0 H GLU A 21 4.571 -0.204 8.605 1.00 31.22 H new ATOM 0 HA GLU A 21 5.460 0.177 5.798 1.00 12.35 H new ATOM 0 HB2 GLU A 21 7.206 -0.100 8.290 1.00 30.33 H new ATOM 0 HB3 GLU A 21 7.772 0.160 6.652 1.00 30.33 H new ATOM 0 HG2 GLU A 21 6.773 2.398 6.610 1.00 34.55 H new ATOM 0 HG3 GLU A 21 6.045 2.141 8.183 1.00 34.55 H new ATOM 329 N ILE A 22 5.669 -2.287 5.500 1.00 1.51 N ATOM 330 CA ILE A 22 5.822 -3.736 5.291 1.00 61.34 C ATOM 331 C ILE A 22 7.083 -4.048 4.463 1.00 11.51 C ATOM 332 O ILE A 22 7.185 -3.651 3.300 1.00 51.42 O ATOM 333 CB ILE A 22 4.590 -4.370 4.573 1.00 73.41 C ATOM 334 CG1 ILE A 22 3.324 -4.308 5.454 1.00 22.34 C ATOM 335 CG2 ILE A 22 4.882 -5.819 4.172 1.00 1.32 C ATOM 336 CD1 ILE A 22 2.695 -2.937 5.558 1.00 43.14 C ATOM 0 H ILE A 22 5.467 -1.758 4.652 1.00 1.51 H new ATOM 0 HA ILE A 22 5.909 -4.173 6.286 1.00 61.34 H new ATOM 0 HB ILE A 22 4.403 -3.785 3.673 1.00 73.41 H new ATOM 0 HG12 ILE A 22 2.585 -5.003 5.055 1.00 22.34 H new ATOM 0 HG13 ILE A 22 3.578 -4.654 6.456 1.00 22.34 H new ATOM 0 HG21 ILE A 22 4.010 -6.241 3.673 1.00 1.32 H new ATOM 0 HG22 ILE A 22 5.735 -5.844 3.494 1.00 1.32 H new ATOM 0 HG23 ILE A 22 5.109 -6.404 5.063 1.00 1.32 H new ATOM 0 HD11 ILE A 22 1.813 -2.989 6.196 1.00 43.14 H new ATOM 0 HD12 ILE A 22 3.413 -2.239 5.988 1.00 43.14 H new ATOM 0 HD13 ILE A 22 2.405 -2.593 4.565 1.00 43.14 H new ATOM 348 N PRO A 23 8.069 -4.758 5.047 1.00 52.25 N ATOM 349 CA PRO A 23 9.245 -5.228 4.298 1.00 15.45 C ATOM 350 C PRO A 23 8.873 -6.342 3.299 1.00 34.42 C ATOM 351 O PRO A 23 8.480 -7.443 3.697 1.00 41.35 O ATOM 352 CB PRO A 23 10.178 -5.753 5.398 1.00 51.42 C ATOM 353 CG PRO A 23 9.270 -6.127 6.523 1.00 44.21 C ATOM 354 CD PRO A 23 8.122 -5.151 6.471 1.00 15.52 C ATOM 0 HA PRO A 23 9.700 -4.445 3.691 1.00 15.45 H new ATOM 0 HB2 PRO A 23 10.753 -6.612 5.052 1.00 51.42 H new ATOM 0 HB3 PRO A 23 10.895 -4.992 5.705 1.00 51.42 H new ATOM 0 HG2 PRO A 23 8.916 -7.152 6.415 1.00 44.21 H new ATOM 0 HG3 PRO A 23 9.789 -6.068 7.480 1.00 44.21 H new ATOM 0 HD2 PRO A 23 7.189 -5.611 6.796 1.00 15.52 H new ATOM 0 HD3 PRO A 23 8.296 -4.292 7.119 1.00 15.52 H new ATOM 362 N LEU A 24 8.987 -6.051 2.005 1.00 70.12 N ATOM 363 CA LEU A 24 8.562 -6.994 0.963 1.00 42.23 C ATOM 364 C LEU A 24 9.482 -8.219 0.892 1.00 11.40 C ATOM 365 O LEU A 24 9.030 -9.353 1.058 1.00 54.41 O ATOM 366 CB LEU A 24 8.506 -6.294 -0.401 1.00 40.23 C ATOM 367 CG LEU A 24 7.491 -5.143 -0.509 1.00 74.30 C ATOM 368 CD1 LEU A 24 7.499 -4.546 -1.912 1.00 51.35 C ATOM 369 CD2 LEU A 24 6.089 -5.618 -0.131 1.00 12.14 C ATOM 0 H LEU A 24 9.368 -5.174 1.650 1.00 70.12 H new ATOM 0 HA LEU A 24 7.564 -7.345 1.227 1.00 42.23 H new ATOM 0 HB2 LEU A 24 9.498 -5.905 -0.632 1.00 40.23 H new ATOM 0 HB3 LEU A 24 8.270 -7.037 -1.163 1.00 40.23 H new ATOM 0 HG LEU A 24 7.786 -4.364 0.194 1.00 74.30 H new ATOM 0 HD11 LEU A 24 6.774 -3.734 -1.966 1.00 51.35 H new ATOM 0 HD12 LEU A 24 8.493 -4.160 -2.138 1.00 51.35 H new ATOM 0 HD13 LEU A 24 7.235 -5.316 -2.637 1.00 51.35 H new ATOM 0 HD21 LEU A 24 5.388 -4.787 -0.215 1.00 12.14 H new ATOM 0 HD22 LEU A 24 5.783 -6.420 -0.803 1.00 12.14 H new ATOM 0 HD23 LEU A 24 6.094 -5.986 0.895 1.00 12.14 H new ATOM 381 N THR A 25 10.770 -7.989 0.651 1.00 34.25 N ATOM 382 CA THR A 25 11.744 -9.084 0.565 1.00 54.13 C ATOM 383 C THR A 25 11.702 -9.969 1.820 1.00 42.33 C ATOM 384 O THR A 25 11.710 -9.475 2.948 1.00 74.21 O ATOM 385 CB THR A 25 13.186 -8.551 0.369 1.00 4.20 C ATOM 386 OG1 THR A 25 13.247 -7.700 -0.789 1.00 71.45 O ATOM 387 CG2 THR A 25 14.180 -9.697 0.204 1.00 53.51 C ATOM 0 H THR A 25 11.167 -7.060 0.512 1.00 34.25 H new ATOM 0 HA THR A 25 11.466 -9.680 -0.304 1.00 54.13 H new ATOM 0 HB THR A 25 13.454 -7.982 1.259 1.00 4.20 H new ATOM 0 HG1 THR A 25 13.744 -8.153 -1.502 1.00 71.45 H new ATOM 0 HG21 THR A 25 15.183 -9.292 0.068 1.00 53.51 H new ATOM 0 HG22 THR A 25 14.160 -10.327 1.093 1.00 53.51 H new ATOM 0 HG23 THR A 25 13.908 -10.292 -0.668 1.00 53.51 H new ATOM 395 N GLY A 26 11.631 -11.281 1.618 1.00 2.13 N ATOM 396 CA GLY A 26 11.588 -12.215 2.739 1.00 4.34 C ATOM 397 C GLY A 26 10.174 -12.522 3.239 1.00 3.15 C ATOM 398 O GLY A 26 9.974 -13.498 3.965 1.00 60.24 O ATOM 0 H GLY A 26 11.602 -11.719 0.697 1.00 2.13 H new ATOM 0 HA2 GLY A 26 12.067 -13.147 2.441 1.00 4.34 H new ATOM 0 HA3 GLY A 26 12.173 -11.805 3.563 1.00 4.34 H new ATOM 402 N HIS A 27 9.188 -11.699 2.862 1.00 61.21 N ATOM 403 CA HIS A 27 7.799 -11.923 3.294 1.00 64.04 C ATOM 404 C HIS A 27 7.155 -13.068 2.495 1.00 12.44 C ATOM 405 O HIS A 27 6.363 -12.837 1.577 1.00 52.11 O ATOM 406 CB HIS A 27 6.959 -10.640 3.157 1.00 51.34 C ATOM 407 CG HIS A 27 5.556 -10.775 3.687 1.00 42.25 C ATOM 408 ND1 HIS A 27 4.505 -11.267 2.937 1.00 11.44 N ATOM 409 CD2 HIS A 27 5.033 -10.480 4.903 1.00 35.15 C ATOM 410 CE1 HIS A 27 3.404 -11.266 3.664 1.00 53.20 C ATOM 411 NE2 HIS A 27 3.694 -10.796 4.861 1.00 74.22 N ATOM 0 H HIS A 27 9.321 -10.882 2.267 1.00 61.21 H new ATOM 0 HA HIS A 27 7.823 -12.204 4.347 1.00 64.04 H new ATOM 0 HB2 HIS A 27 7.461 -9.830 3.685 1.00 51.34 H new ATOM 0 HB3 HIS A 27 6.915 -10.356 2.106 1.00 51.34 H new ATOM 0 HD1 HIS A 27 4.570 -11.583 1.969 1.00 11.44 H new ATOM 0 HD2 HIS A 27 5.568 -10.073 5.748 1.00 35.15 H new ATOM 0 HE1 HIS A 27 2.430 -11.595 3.334 1.00 53.20 H new ATOM 420 N LYS A 28 7.523 -14.297 2.840 1.00 71.12 N ATOM 421 CA LYS A 28 7.015 -15.489 2.153 1.00 50.04 C ATOM 422 C LYS A 28 5.593 -15.842 2.618 1.00 21.03 C ATOM 423 O LYS A 28 5.405 -16.535 3.619 1.00 74.54 O ATOM 424 CB LYS A 28 7.971 -16.666 2.388 1.00 21.44 C ATOM 425 CG LYS A 28 9.385 -16.415 1.865 1.00 21.44 C ATOM 426 CD LYS A 28 10.386 -17.481 2.320 1.00 4.32 C ATOM 427 CE LYS A 28 10.126 -18.853 1.701 1.00 21.04 C ATOM 428 NZ LYS A 28 8.879 -19.490 2.205 1.00 14.41 N ATOM 0 H LYS A 28 8.176 -14.499 3.597 1.00 71.12 H new ATOM 0 HA LYS A 28 6.964 -15.276 1.085 1.00 50.04 H new ATOM 0 HB2 LYS A 28 8.019 -16.877 3.456 1.00 21.44 H new ATOM 0 HB3 LYS A 28 7.566 -17.555 1.905 1.00 21.44 H new ATOM 0 HG2 LYS A 28 9.364 -16.385 0.776 1.00 21.44 H new ATOM 0 HG3 LYS A 28 9.724 -15.436 2.205 1.00 21.44 H new ATOM 0 HD2 LYS A 28 11.394 -17.158 2.061 1.00 4.32 H new ATOM 0 HD3 LYS A 28 10.348 -17.566 3.406 1.00 4.32 H new ATOM 0 HE2 LYS A 28 10.063 -18.751 0.618 1.00 21.04 H new ATOM 0 HE3 LYS A 28 10.972 -19.507 1.911 1.00 21.04 H new ATOM 0 HZ1 LYS A 28 9.070 -20.484 2.446 1.00 14.41 H new ATOM 0 HZ2 LYS A 28 8.549 -18.985 3.053 1.00 14.41 H new ATOM 0 HZ3 LYS A 28 8.145 -19.447 1.469 1.00 14.41 H new ATOM 442 N GLY A 29 4.597 -15.334 1.901 1.00 35.42 N ATOM 443 CA GLY A 29 3.202 -15.588 2.249 1.00 34.23 C ATOM 444 C GLY A 29 2.276 -14.460 1.809 1.00 63.42 C ATOM 445 O GLY A 29 2.687 -13.573 1.061 1.00 34.03 O ATOM 0 H GLY A 29 4.728 -14.746 1.078 1.00 35.42 H new ATOM 0 HA2 GLY A 29 2.879 -16.520 1.786 1.00 34.23 H new ATOM 0 HA3 GLY A 29 3.119 -15.722 3.327 1.00 34.23 H new ATOM 449 N ASN A 30 1.032 -14.479 2.281 1.00 64.30 N ATOM 450 CA ASN A 30 0.041 -13.459 1.909 1.00 52.13 C ATOM 451 C ASN A 30 -0.438 -12.664 3.140 1.00 43.42 C ATOM 452 O ASN A 30 -0.451 -13.176 4.264 1.00 45.55 O ATOM 453 CB ASN A 30 -1.146 -14.122 1.197 1.00 71.34 C ATOM 454 CG ASN A 30 -2.117 -13.110 0.612 1.00 40.31 C ATOM 455 OD1 ASN A 30 -3.065 -12.689 1.263 1.00 10.21 O ATOM 456 ND2 ASN A 30 -1.893 -12.714 -0.623 1.00 52.41 N ATOM 0 H ASN A 30 0.681 -15.189 2.924 1.00 64.30 H new ATOM 0 HA ASN A 30 0.516 -12.752 1.228 1.00 52.13 H new ATOM 0 HB2 ASN A 30 -0.773 -14.765 0.400 1.00 71.34 H new ATOM 0 HB3 ASN A 30 -1.676 -14.763 1.902 1.00 71.34 H new ATOM 0 HD21 ASN A 30 -2.518 -12.038 -1.063 1.00 52.41 H new ATOM 0 HD22 ASN A 30 -1.095 -13.083 -1.140 1.00 52.41 H new ATOM 463 N GLU A 31 -0.813 -11.408 2.925 1.00 62.42 N ATOM 464 CA GLU A 31 -1.258 -10.524 4.009 1.00 31.40 C ATOM 465 C GLU A 31 -2.291 -9.508 3.499 1.00 4.41 C ATOM 466 O GLU A 31 -2.238 -9.092 2.343 1.00 51.11 O ATOM 467 CB GLU A 31 -0.048 -9.786 4.607 1.00 34.54 C ATOM 468 CG GLU A 31 -0.381 -8.910 5.812 1.00 4.04 C ATOM 469 CD GLU A 31 -0.983 -9.698 6.963 1.00 12.44 C ATOM 470 OE1 GLU A 31 -0.229 -10.399 7.670 1.00 4.34 O ATOM 471 OE2 GLU A 31 -2.214 -9.618 7.169 1.00 22.03 O ATOM 0 H GLU A 31 -0.819 -10.971 2.003 1.00 62.42 H new ATOM 0 HA GLU A 31 -1.730 -11.133 4.780 1.00 31.40 H new ATOM 0 HB2 GLU A 31 0.701 -10.520 4.902 1.00 34.54 H new ATOM 0 HB3 GLU A 31 0.402 -9.164 3.833 1.00 34.54 H new ATOM 0 HG2 GLU A 31 0.525 -8.411 6.154 1.00 4.04 H new ATOM 0 HG3 GLU A 31 -1.079 -8.130 5.507 1.00 4.04 H new ATOM 478 N GLN A 32 -3.228 -9.108 4.358 1.00 33.25 N ATOM 479 CA GLN A 32 -4.242 -8.112 3.983 1.00 34.11 C ATOM 480 C GLN A 32 -4.490 -7.101 5.113 1.00 21.55 C ATOM 481 O GLN A 32 -4.718 -7.477 6.265 1.00 43.02 O ATOM 482 CB GLN A 32 -5.567 -8.796 3.597 1.00 31.01 C ATOM 483 CG GLN A 32 -5.455 -9.724 2.390 1.00 33.14 C ATOM 484 CD GLN A 32 -6.795 -10.268 1.925 1.00 23.43 C ATOM 485 OE1 GLN A 32 -7.727 -10.437 2.704 1.00 72.13 O ATOM 486 NE2 GLN A 32 -6.897 -10.559 0.646 1.00 72.42 N ATOM 0 H GLN A 32 -3.310 -9.454 5.314 1.00 33.25 H new ATOM 0 HA GLN A 32 -3.855 -7.571 3.120 1.00 34.11 H new ATOM 0 HB2 GLN A 32 -5.931 -9.368 4.450 1.00 31.01 H new ATOM 0 HB3 GLN A 32 -6.312 -8.029 3.386 1.00 31.01 H new ATOM 0 HG2 GLN A 32 -4.984 -9.185 1.568 1.00 33.14 H new ATOM 0 HG3 GLN A 32 -4.799 -10.558 2.641 1.00 33.14 H new ATOM 0 HE21 GLN A 32 -6.103 -10.407 0.024 1.00 72.42 H new ATOM 0 HE22 GLN A 32 -7.770 -10.937 0.277 1.00 72.42 H new ATOM 495 N PHE A 33 -4.444 -5.816 4.775 1.00 2.23 N ATOM 496 CA PHE A 33 -4.741 -4.750 5.733 1.00 14.01 C ATOM 497 C PHE A 33 -5.431 -3.565 5.040 1.00 70.10 C ATOM 498 O PHE A 33 -4.995 -3.100 3.984 1.00 43.11 O ATOM 499 CB PHE A 33 -3.464 -4.295 6.469 1.00 71.25 C ATOM 500 CG PHE A 33 -2.376 -3.742 5.574 1.00 75.11 C ATOM 501 CD1 PHE A 33 -1.494 -4.592 4.917 1.00 2.44 C ATOM 502 CD2 PHE A 33 -2.228 -2.374 5.403 1.00 23.11 C ATOM 503 CE1 PHE A 33 -0.494 -4.086 4.109 1.00 44.54 C ATOM 504 CE2 PHE A 33 -1.228 -1.864 4.596 1.00 60.45 C ATOM 505 CZ PHE A 33 -0.362 -2.721 3.948 1.00 52.23 C ATOM 0 H PHE A 33 -4.203 -5.484 3.841 1.00 2.23 H new ATOM 0 HA PHE A 33 -5.430 -5.150 6.477 1.00 14.01 H new ATOM 0 HB2 PHE A 33 -3.735 -3.533 7.200 1.00 71.25 H new ATOM 0 HB3 PHE A 33 -3.061 -5.142 7.025 1.00 71.25 H new ATOM 0 HD1 PHE A 33 -1.592 -5.661 5.040 1.00 2.44 H new ATOM 0 HD2 PHE A 33 -2.903 -1.698 5.907 1.00 23.11 H new ATOM 0 HE1 PHE A 33 0.184 -4.758 3.604 1.00 44.54 H new ATOM 0 HE2 PHE A 33 -1.125 -0.796 4.473 1.00 60.45 H new ATOM 0 HZ PHE A 33 0.418 -2.324 3.315 1.00 52.23 H new ATOM 515 N THR A 34 -6.524 -3.092 5.632 1.00 3.34 N ATOM 516 CA THR A 34 -7.315 -2.002 5.045 1.00 53.21 C ATOM 517 C THR A 34 -7.099 -0.680 5.788 1.00 52.30 C ATOM 518 O THR A 34 -7.177 -0.628 7.014 1.00 65.43 O ATOM 519 CB THR A 34 -8.828 -2.332 5.057 1.00 70.01 C ATOM 520 OG1 THR A 34 -9.067 -3.568 4.372 1.00 43.24 O ATOM 521 CG2 THR A 34 -9.643 -1.219 4.402 1.00 62.24 C ATOM 0 H THR A 34 -6.887 -3.443 6.518 1.00 3.34 H new ATOM 0 HA THR A 34 -6.972 -1.896 4.016 1.00 53.21 H new ATOM 0 HB THR A 34 -9.142 -2.422 6.097 1.00 70.01 H new ATOM 0 HG1 THR A 34 -10.026 -3.770 4.386 1.00 43.24 H new ATOM 0 HG21 THR A 34 -10.701 -1.480 4.426 1.00 62.24 H new ATOM 0 HG22 THR A 34 -9.487 -0.286 4.944 1.00 62.24 H new ATOM 0 HG23 THR A 34 -9.323 -1.095 3.367 1.00 62.24 H new ATOM 529 N ILE A 35 -6.824 0.384 5.038 1.00 64.54 N ATOM 530 CA ILE A 35 -6.683 1.727 5.608 1.00 51.41 C ATOM 531 C ILE A 35 -7.980 2.527 5.418 1.00 3.12 C ATOM 532 O ILE A 35 -8.373 2.827 4.289 1.00 45.33 O ATOM 533 CB ILE A 35 -5.507 2.513 4.965 1.00 34.30 C ATOM 534 CG1 ILE A 35 -4.157 1.799 5.191 1.00 4.44 C ATOM 535 CG2 ILE A 35 -5.445 3.937 5.520 1.00 65.01 C ATOM 536 CD1 ILE A 35 -3.967 0.544 4.366 1.00 33.34 C ATOM 0 H ILE A 35 -6.693 0.344 4.027 1.00 64.54 H new ATOM 0 HA ILE A 35 -6.472 1.600 6.670 1.00 51.41 H new ATOM 0 HB ILE A 35 -5.691 2.556 3.892 1.00 34.30 H new ATOM 0 HG12 ILE A 35 -3.349 2.495 4.963 1.00 4.44 H new ATOM 0 HG13 ILE A 35 -4.068 1.542 6.247 1.00 4.44 H new ATOM 0 HG21 ILE A 35 -4.615 4.472 5.058 1.00 65.01 H new ATOM 0 HG22 ILE A 35 -6.378 4.455 5.299 1.00 65.01 H new ATOM 0 HG23 ILE A 35 -5.297 3.901 6.599 1.00 65.01 H new ATOM 0 HD11 ILE A 35 -2.993 0.107 4.587 1.00 33.34 H new ATOM 0 HD12 ILE A 35 -4.750 -0.174 4.610 1.00 33.34 H new ATOM 0 HD13 ILE A 35 -4.021 0.794 3.306 1.00 33.34 H new ATOM 548 N LYS A 36 -8.654 2.857 6.518 1.00 34.44 N ATOM 549 CA LYS A 36 -9.909 3.616 6.460 1.00 2.53 C ATOM 550 C LYS A 36 -9.688 5.096 6.803 1.00 53.31 C ATOM 551 O LYS A 36 -9.428 5.443 7.957 1.00 73.34 O ATOM 552 CB LYS A 36 -10.942 3.014 7.425 1.00 12.20 C ATOM 553 CG LYS A 36 -11.315 1.569 7.116 1.00 51.32 C ATOM 554 CD LYS A 36 -12.345 1.035 8.109 1.00 32.15 C ATOM 555 CE LYS A 36 -12.722 -0.411 7.815 1.00 14.22 C ATOM 556 NZ LYS A 36 -13.402 -0.556 6.502 1.00 41.14 N ATOM 0 H LYS A 36 -8.355 2.612 7.462 1.00 34.44 H new ATOM 0 HA LYS A 36 -10.284 3.553 5.438 1.00 2.53 H new ATOM 0 HB2 LYS A 36 -10.549 3.067 8.440 1.00 12.20 H new ATOM 0 HB3 LYS A 36 -11.845 3.624 7.400 1.00 12.20 H new ATOM 0 HG2 LYS A 36 -11.715 1.503 6.104 1.00 51.32 H new ATOM 0 HG3 LYS A 36 -10.421 0.946 7.147 1.00 51.32 H new ATOM 0 HD2 LYS A 36 -11.945 1.107 9.121 1.00 32.15 H new ATOM 0 HD3 LYS A 36 -13.239 1.657 8.074 1.00 32.15 H new ATOM 0 HE2 LYS A 36 -11.824 -1.029 7.828 1.00 14.22 H new ATOM 0 HE3 LYS A 36 -13.376 -0.782 8.604 1.00 14.22 H new ATOM 0 HZ1 LYS A 36 -13.775 -1.522 6.409 1.00 41.14 H new ATOM 0 HZ2 LYS A 36 -14.185 0.125 6.440 1.00 41.14 H new ATOM 0 HZ3 LYS A 36 -12.722 -0.373 5.737 1.00 41.14 H new ATOM 570 N GLY A 37 -9.777 5.960 5.792 1.00 12.20 N ATOM 571 CA GLY A 37 -9.704 7.401 6.023 1.00 1.12 C ATOM 572 C GLY A 37 -11.044 7.977 6.475 1.00 72.33 C ATOM 573 O GLY A 37 -11.457 7.779 7.618 1.00 60.20 O ATOM 0 H GLY A 37 -9.898 5.691 4.816 1.00 12.20 H new ATOM 0 HA2 GLY A 37 -8.947 7.609 6.779 1.00 1.12 H new ATOM 0 HA3 GLY A 37 -9.386 7.899 5.107 1.00 1.12 H new ATOM 577 N LYS A 38 -11.735 8.678 5.580 1.00 61.45 N ATOM 578 CA LYS A 38 -13.071 9.208 5.880 1.00 54.43 C ATOM 579 C LYS A 38 -14.157 8.138 5.676 1.00 54.02 C ATOM 580 O LYS A 38 -14.828 8.113 4.642 1.00 71.13 O ATOM 581 CB LYS A 38 -13.371 10.439 5.010 1.00 20.04 C ATOM 582 CG LYS A 38 -12.445 11.622 5.272 1.00 73.42 C ATOM 583 CD LYS A 38 -12.694 12.791 4.314 1.00 5.31 C ATOM 584 CE LYS A 38 -14.073 13.428 4.489 1.00 61.13 C ATOM 585 NZ LYS A 38 -15.170 12.596 3.923 1.00 62.24 N ATOM 0 H LYS A 38 -11.397 8.894 4.642 1.00 61.45 H new ATOM 0 HA LYS A 38 -13.081 9.505 6.929 1.00 54.43 H new ATOM 0 HB2 LYS A 38 -13.295 10.157 3.960 1.00 20.04 H new ATOM 0 HB3 LYS A 38 -14.401 10.751 5.183 1.00 20.04 H new ATOM 0 HG2 LYS A 38 -12.580 11.964 6.298 1.00 73.42 H new ATOM 0 HG3 LYS A 38 -11.409 11.295 5.178 1.00 73.42 H new ATOM 0 HD2 LYS A 38 -11.928 13.550 4.470 1.00 5.31 H new ATOM 0 HD3 LYS A 38 -12.590 12.440 3.287 1.00 5.31 H new ATOM 0 HE2 LYS A 38 -14.259 13.594 5.550 1.00 61.13 H new ATOM 0 HE3 LYS A 38 -14.080 14.406 4.008 1.00 61.13 H new ATOM 0 HZ1 LYS A 38 -15.818 13.200 3.378 1.00 62.24 H new ATOM 0 HZ2 LYS A 38 -14.767 11.868 3.299 1.00 62.24 H new ATOM 0 HZ3 LYS A 38 -15.692 12.138 4.697 1.00 62.24 H new ATOM 599 N GLY A 39 -14.289 7.238 6.654 1.00 32.20 N ATOM 600 CA GLY A 39 -15.315 6.192 6.618 1.00 70.23 C ATOM 601 C GLY A 39 -15.319 5.366 5.333 1.00 64.12 C ATOM 602 O GLY A 39 -14.679 4.314 5.251 1.00 31.12 O ATOM 0 H GLY A 39 -13.696 7.213 7.483 1.00 32.20 H new ATOM 0 HA2 GLY A 39 -15.167 5.524 7.466 1.00 70.23 H new ATOM 0 HA3 GLY A 39 -16.294 6.654 6.743 1.00 70.23 H new ATOM 606 N ALA A 40 -16.045 5.851 4.326 1.00 12.53 N ATOM 607 CA ALA A 40 -16.172 5.158 3.041 1.00 40.42 C ATOM 608 C ALA A 40 -14.869 5.208 2.224 1.00 62.24 C ATOM 609 O ALA A 40 -14.659 4.397 1.324 1.00 1.15 O ATOM 610 CB ALA A 40 -17.323 5.755 2.236 1.00 71.40 C ATOM 0 H ALA A 40 -16.560 6.730 4.376 1.00 12.53 H new ATOM 0 HA ALA A 40 -16.382 4.110 3.253 1.00 40.42 H new ATOM 0 HB1 ALA A 40 -17.409 5.233 1.283 1.00 71.40 H new ATOM 0 HB2 ALA A 40 -18.253 5.646 2.795 1.00 71.40 H new ATOM 0 HB3 ALA A 40 -17.130 6.812 2.055 1.00 71.40 H new ATOM 616 N GLN A 41 -14.002 6.171 2.527 1.00 72.32 N ATOM 617 CA GLN A 41 -12.711 6.292 1.834 1.00 71.21 C ATOM 618 C GLN A 41 -11.692 5.268 2.369 1.00 11.24 C ATOM 619 O GLN A 41 -10.766 5.615 3.104 1.00 23.14 O ATOM 620 CB GLN A 41 -12.161 7.721 1.965 1.00 14.24 C ATOM 621 CG GLN A 41 -13.051 8.781 1.319 1.00 21.22 C ATOM 622 CD GLN A 41 -12.536 10.200 1.507 1.00 33.02 C ATOM 623 OE1 GLN A 41 -13.311 11.146 1.593 1.00 25.31 O ATOM 624 NE2 GLN A 41 -11.227 10.368 1.564 1.00 63.23 N ATOM 0 H GLN A 41 -14.164 6.879 3.244 1.00 72.32 H new ATOM 0 HA GLN A 41 -12.876 6.078 0.778 1.00 71.21 H new ATOM 0 HB2 GLN A 41 -12.037 7.958 3.022 1.00 14.24 H new ATOM 0 HB3 GLN A 41 -11.171 7.763 1.510 1.00 14.24 H new ATOM 0 HG2 GLN A 41 -13.137 8.572 0.253 1.00 21.22 H new ATOM 0 HG3 GLN A 41 -14.054 8.708 1.740 1.00 21.22 H new ATOM 0 HE21 GLN A 41 -10.606 9.562 1.490 1.00 63.23 H new ATOM 0 HE22 GLN A 41 -10.838 11.303 1.682 1.00 63.23 H new ATOM 633 N TYR A 42 -11.887 4.004 2.000 1.00 20.44 N ATOM 634 CA TYR A 42 -11.006 2.914 2.443 1.00 4.13 C ATOM 635 C TYR A 42 -9.991 2.520 1.355 1.00 41.31 C ATOM 636 O TYR A 42 -10.166 2.850 0.177 1.00 42.14 O ATOM 637 CB TYR A 42 -11.845 1.685 2.831 1.00 4.12 C ATOM 638 CG TYR A 42 -12.506 0.993 1.647 1.00 15.51 C ATOM 639 CD1 TYR A 42 -13.696 1.469 1.105 1.00 42.21 C ATOM 640 CD2 TYR A 42 -11.932 -0.139 1.070 1.00 15.24 C ATOM 641 CE1 TYR A 42 -14.289 0.845 0.026 1.00 54.24 C ATOM 642 CE2 TYR A 42 -12.525 -0.768 -0.010 1.00 32.32 C ATOM 643 CZ TYR A 42 -13.703 -0.273 -0.526 1.00 63.42 C ATOM 644 OH TYR A 42 -14.294 -0.885 -1.608 1.00 44.50 O ATOM 0 H TYR A 42 -12.649 3.704 1.393 1.00 20.44 H new ATOM 0 HA TYR A 42 -10.450 3.273 3.309 1.00 4.13 H new ATOM 0 HB2 TYR A 42 -11.206 0.969 3.348 1.00 4.12 H new ATOM 0 HB3 TYR A 42 -12.616 1.992 3.537 1.00 4.12 H new ATOM 0 HD1 TYR A 42 -14.164 2.342 1.536 1.00 42.21 H new ATOM 0 HD2 TYR A 42 -11.010 -0.531 1.473 1.00 15.24 H new ATOM 0 HE1 TYR A 42 -15.210 1.232 -0.384 1.00 54.24 H new ATOM 0 HE2 TYR A 42 -12.067 -1.643 -0.447 1.00 32.32 H new ATOM 0 HH TYR A 42 -13.933 -1.790 -1.709 1.00 44.50 H new ATOM 654 N ASN A 43 -8.936 1.815 1.765 1.00 14.13 N ATOM 655 CA ASN A 43 -7.945 1.248 0.835 1.00 60.54 C ATOM 656 C ASN A 43 -7.585 -0.192 1.237 1.00 43.14 C ATOM 657 O ASN A 43 -7.002 -0.417 2.299 1.00 20.22 O ATOM 658 CB ASN A 43 -6.670 2.108 0.804 1.00 71.31 C ATOM 659 CG ASN A 43 -6.883 3.448 0.127 1.00 22.31 C ATOM 660 OD1 ASN A 43 -7.251 4.432 0.760 1.00 10.13 O ATOM 661 ND2 ASN A 43 -6.647 3.499 -1.169 1.00 2.45 N ATOM 0 H ASN A 43 -8.740 1.619 2.747 1.00 14.13 H new ATOM 0 HA ASN A 43 -8.390 1.239 -0.160 1.00 60.54 H new ATOM 0 HB2 ASN A 43 -6.323 2.272 1.824 1.00 71.31 H new ATOM 0 HB3 ASN A 43 -5.882 1.564 0.283 1.00 71.31 H new ATOM 0 HD21 ASN A 43 -6.769 4.376 -1.676 1.00 2.45 H new ATOM 0 HD22 ASN A 43 -6.342 2.662 -1.665 1.00 2.45 H new ATOM 668 N LEU A 44 -7.939 -1.164 0.397 1.00 44.25 N ATOM 669 CA LEU A 44 -7.647 -2.575 0.682 1.00 62.25 C ATOM 670 C LEU A 44 -6.272 -2.988 0.124 1.00 74.30 C ATOM 671 O LEU A 44 -6.115 -3.209 -1.081 1.00 31.21 O ATOM 672 CB LEU A 44 -8.750 -3.472 0.097 1.00 54.43 C ATOM 673 CG LEU A 44 -8.558 -4.988 0.290 1.00 12.13 C ATOM 674 CD1 LEU A 44 -8.484 -5.348 1.774 1.00 12.35 C ATOM 675 CD2 LEU A 44 -9.683 -5.760 -0.396 1.00 42.00 C ATOM 0 H LEU A 44 -8.427 -1.005 -0.484 1.00 44.25 H new ATOM 0 HA LEU A 44 -7.620 -2.701 1.764 1.00 62.25 H new ATOM 0 HB2 LEU A 44 -9.701 -3.186 0.547 1.00 54.43 H new ATOM 0 HB3 LEU A 44 -8.828 -3.268 -0.971 1.00 54.43 H new ATOM 0 HG LEU A 44 -7.612 -5.271 -0.171 1.00 12.13 H new ATOM 0 HD11 LEU A 44 -8.348 -6.424 1.881 1.00 12.35 H new ATOM 0 HD12 LEU A 44 -7.643 -4.829 2.233 1.00 12.35 H new ATOM 0 HD13 LEU A 44 -9.408 -5.048 2.268 1.00 12.35 H new ATOM 0 HD21 LEU A 44 -9.532 -6.830 -0.250 1.00 42.00 H new ATOM 0 HD22 LEU A 44 -10.641 -5.467 0.034 1.00 42.00 H new ATOM 0 HD23 LEU A 44 -9.680 -5.536 -1.463 1.00 42.00 H new ATOM 687 N MET A 45 -5.286 -3.093 1.015 1.00 21.11 N ATOM 688 CA MET A 45 -3.916 -3.460 0.631 1.00 42.10 C ATOM 689 C MET A 45 -3.662 -4.962 0.830 1.00 31.42 C ATOM 690 O MET A 45 -4.075 -5.547 1.838 1.00 13.15 O ATOM 691 CB MET A 45 -2.906 -2.659 1.465 1.00 71.12 C ATOM 692 CG MET A 45 -3.068 -1.148 1.360 1.00 31.22 C ATOM 693 SD MET A 45 -2.751 -0.522 -0.300 1.00 1.32 S ATOM 694 CE MET A 45 -1.031 -0.974 -0.529 1.00 44.42 C ATOM 0 H MET A 45 -5.408 -2.929 2.014 1.00 21.11 H new ATOM 0 HA MET A 45 -3.792 -3.227 -0.427 1.00 42.10 H new ATOM 0 HB2 MET A 45 -3.002 -2.952 2.511 1.00 71.12 H new ATOM 0 HB3 MET A 45 -1.898 -2.928 1.150 1.00 71.12 H new ATOM 0 HG2 MET A 45 -4.080 -0.875 1.659 1.00 31.22 H new ATOM 0 HG3 MET A 45 -2.387 -0.665 2.061 1.00 31.22 H new ATOM 0 HE1 MET A 45 -0.602 -0.378 -1.334 1.00 44.42 H new ATOM 0 HE2 MET A 45 -0.480 -0.788 0.393 1.00 44.42 H new ATOM 0 HE3 MET A 45 -0.964 -2.031 -0.785 1.00 44.42 H new ATOM 704 N GLU A 46 -2.969 -5.580 -0.127 1.00 42.12 N ATOM 705 CA GLU A 46 -2.610 -7.003 -0.038 1.00 23.02 C ATOM 706 C GLU A 46 -1.110 -7.222 -0.295 1.00 75.44 C ATOM 707 O GLU A 46 -0.571 -6.783 -1.316 1.00 64.15 O ATOM 708 CB GLU A 46 -3.435 -7.834 -1.035 1.00 33.31 C ATOM 709 CG GLU A 46 -3.102 -9.327 -1.023 1.00 30.32 C ATOM 710 CD GLU A 46 -4.020 -10.146 -1.918 1.00 11.10 C ATOM 711 OE1 GLU A 46 -3.857 -10.099 -3.157 1.00 2.20 O ATOM 712 OE2 GLU A 46 -4.925 -10.831 -1.391 1.00 34.32 O ATOM 0 H GLU A 46 -2.643 -5.119 -0.976 1.00 42.12 H new ATOM 0 HA GLU A 46 -2.836 -7.333 0.976 1.00 23.02 H new ATOM 0 HB2 GLU A 46 -4.494 -7.706 -0.810 1.00 33.31 H new ATOM 0 HB3 GLU A 46 -3.273 -7.444 -2.040 1.00 33.31 H new ATOM 0 HG2 GLU A 46 -2.070 -9.466 -1.345 1.00 30.32 H new ATOM 0 HG3 GLU A 46 -3.170 -9.701 -0.002 1.00 30.32 H new ATOM 719 N VAL A 47 -0.444 -7.898 0.640 1.00 65.24 N ATOM 720 CA VAL A 47 0.980 -8.221 0.516 1.00 23.21 C ATOM 721 C VAL A 47 1.195 -9.728 0.305 1.00 41.34 C ATOM 722 O VAL A 47 0.909 -10.539 1.184 1.00 62.30 O ATOM 723 CB VAL A 47 1.779 -7.769 1.766 1.00 52.24 C ATOM 724 CG1 VAL A 47 3.270 -8.070 1.600 1.00 60.45 C ATOM 725 CG2 VAL A 47 1.550 -6.285 2.047 1.00 20.14 C ATOM 0 H VAL A 47 -0.872 -8.237 1.502 1.00 65.24 H new ATOM 0 HA VAL A 47 1.346 -7.679 -0.356 1.00 23.21 H new ATOM 0 HB VAL A 47 1.416 -8.336 2.623 1.00 52.24 H new ATOM 0 HG11 VAL A 47 3.808 -7.744 2.490 1.00 60.45 H new ATOM 0 HG12 VAL A 47 3.412 -9.142 1.463 1.00 60.45 H new ATOM 0 HG13 VAL A 47 3.654 -7.539 0.729 1.00 60.45 H new ATOM 0 HG21 VAL A 47 2.120 -5.989 2.928 1.00 20.14 H new ATOM 0 HG22 VAL A 47 1.877 -5.698 1.189 1.00 20.14 H new ATOM 0 HG23 VAL A 47 0.489 -6.108 2.225 1.00 20.14 H new ATOM 735 N ASP A 48 1.716 -10.089 -0.855 1.00 54.22 N ATOM 736 CA ASP A 48 2.009 -11.483 -1.195 1.00 21.32 C ATOM 737 C ASP A 48 3.529 -11.706 -1.201 1.00 51.55 C ATOM 738 O ASP A 48 4.287 -10.753 -1.028 1.00 21.33 O ATOM 739 CB ASP A 48 1.393 -11.830 -2.555 1.00 70.42 C ATOM 740 CG ASP A 48 1.366 -13.322 -2.829 1.00 5.41 C ATOM 741 OD1 ASP A 48 0.434 -13.997 -2.348 1.00 22.44 O ATOM 742 OD2 ASP A 48 2.273 -13.828 -3.523 1.00 50.31 O ATOM 0 H ASP A 48 1.951 -9.426 -1.594 1.00 54.22 H new ATOM 0 HA ASP A 48 1.569 -12.142 -0.447 1.00 21.32 H new ATOM 0 HB2 ASP A 48 0.376 -11.440 -2.598 1.00 70.42 H new ATOM 0 HB3 ASP A 48 1.959 -11.332 -3.342 1.00 70.42 H new ATOM 747 N GLY A 49 3.962 -12.963 -1.330 1.00 12.45 N ATOM 748 CA GLY A 49 5.388 -13.303 -1.313 1.00 14.23 C ATOM 749 C GLY A 49 6.302 -12.285 -2.008 1.00 11.21 C ATOM 750 O GLY A 49 6.552 -12.382 -3.209 1.00 34.11 O ATOM 0 H GLY A 49 3.343 -13.765 -1.448 1.00 12.45 H new ATOM 0 HA2 GLY A 49 5.709 -13.410 -0.277 1.00 14.23 H new ATOM 0 HA3 GLY A 49 5.521 -14.274 -1.790 1.00 14.23 H new ATOM 754 N GLU A 50 6.786 -11.307 -1.230 1.00 21.43 N ATOM 755 CA GLU A 50 7.742 -10.288 -1.703 1.00 15.01 C ATOM 756 C GLU A 50 7.138 -9.346 -2.769 1.00 21.33 C ATOM 757 O GLU A 50 7.844 -8.836 -3.640 1.00 33.40 O ATOM 758 CB GLU A 50 9.018 -10.971 -2.222 1.00 34.14 C ATOM 759 CG GLU A 50 9.690 -11.864 -1.179 1.00 71.53 C ATOM 760 CD GLU A 50 10.921 -12.581 -1.710 1.00 33.22 C ATOM 761 OE1 GLU A 50 10.797 -13.315 -2.713 1.00 52.32 O ATOM 762 OE2 GLU A 50 12.015 -12.422 -1.124 1.00 64.52 O ATOM 0 H GLU A 50 6.526 -11.197 -0.250 1.00 21.43 H new ATOM 0 HA GLU A 50 7.994 -9.655 -0.852 1.00 15.01 H new ATOM 0 HB2 GLU A 50 8.771 -11.570 -3.099 1.00 34.14 H new ATOM 0 HB3 GLU A 50 9.725 -10.207 -2.547 1.00 34.14 H new ATOM 0 HG2 GLU A 50 9.973 -11.257 -0.319 1.00 71.53 H new ATOM 0 HG3 GLU A 50 8.971 -12.603 -0.825 1.00 71.53 H new ATOM 769 N ARG A 51 5.834 -9.089 -2.662 1.00 33.44 N ATOM 770 CA ARG A 51 5.129 -8.174 -3.571 1.00 1.01 C ATOM 771 C ARG A 51 3.865 -7.594 -2.906 1.00 13.55 C ATOM 772 O ARG A 51 3.262 -8.235 -2.050 1.00 4.34 O ATOM 773 CB ARG A 51 4.764 -8.902 -4.874 1.00 62.03 C ATOM 774 CG ARG A 51 3.991 -10.200 -4.660 1.00 71.14 C ATOM 775 CD ARG A 51 3.663 -10.897 -5.978 1.00 14.02 C ATOM 776 NE ARG A 51 2.869 -12.105 -5.767 1.00 53.11 N ATOM 777 CZ ARG A 51 2.026 -12.597 -6.634 1.00 44.22 C ATOM 778 NH1 ARG A 51 1.891 -12.058 -7.805 1.00 45.42 N ATOM 779 NH2 ARG A 51 1.334 -13.647 -6.334 1.00 13.55 N ATOM 0 H ARG A 51 5.236 -9.505 -1.948 1.00 33.44 H new ATOM 0 HA ARG A 51 5.796 -7.344 -3.804 1.00 1.01 H new ATOM 0 HB2 ARG A 51 4.169 -8.235 -5.497 1.00 62.03 H new ATOM 0 HB3 ARG A 51 5.679 -9.122 -5.425 1.00 62.03 H new ATOM 0 HG2 ARG A 51 4.577 -10.871 -4.032 1.00 71.14 H new ATOM 0 HG3 ARG A 51 3.067 -9.987 -4.123 1.00 71.14 H new ATOM 0 HD2 ARG A 51 3.117 -10.211 -6.626 1.00 14.02 H new ATOM 0 HD3 ARG A 51 4.588 -11.155 -6.493 1.00 14.02 H new ATOM 0 HE ARG A 51 2.981 -12.598 -4.881 1.00 53.11 H new ATOM 0 HH11 ARG A 51 2.447 -11.241 -8.057 1.00 45.42 H new ATOM 0 HH12 ARG A 51 1.229 -12.451 -8.474 1.00 45.42 H new ATOM 0 HH21 ARG A 51 1.447 -14.089 -5.422 1.00 13.55 H new ATOM 0 HH22 ARG A 51 0.675 -14.033 -7.010 1.00 13.55 H new ATOM 793 N ILE A 52 3.466 -6.385 -3.304 1.00 21.44 N ATOM 794 CA ILE A 52 2.306 -5.708 -2.694 1.00 24.13 C ATOM 795 C ILE A 52 1.405 -5.040 -3.755 1.00 12.25 C ATOM 796 O ILE A 52 1.877 -4.631 -4.817 1.00 10.33 O ATOM 797 CB ILE A 52 2.771 -4.644 -1.661 1.00 61.14 C ATOM 798 CG1 ILE A 52 1.565 -4.011 -0.940 1.00 63.23 C ATOM 799 CG2 ILE A 52 3.630 -3.571 -2.338 1.00 32.32 C ATOM 800 CD1 ILE A 52 1.944 -3.007 0.130 1.00 5.32 C ATOM 0 H ILE A 52 3.923 -5.851 -4.043 1.00 21.44 H new ATOM 0 HA ILE A 52 1.721 -6.475 -2.186 1.00 24.13 H new ATOM 0 HB ILE A 52 3.383 -5.145 -0.911 1.00 61.14 H new ATOM 0 HG12 ILE A 52 0.931 -3.519 -1.678 1.00 63.23 H new ATOM 0 HG13 ILE A 52 0.969 -4.803 -0.486 1.00 63.23 H new ATOM 0 HG21 ILE A 52 3.945 -2.836 -1.597 1.00 32.32 H new ATOM 0 HG22 ILE A 52 4.509 -4.036 -2.784 1.00 32.32 H new ATOM 0 HG23 ILE A 52 3.048 -3.076 -3.115 1.00 32.32 H new ATOM 0 HD11 ILE A 52 1.040 -2.607 0.590 1.00 5.32 H new ATOM 0 HD12 ILE A 52 2.552 -3.498 0.890 1.00 5.32 H new ATOM 0 HD13 ILE A 52 2.513 -2.193 -0.320 1.00 5.32 H new ATOM 812 N ARG A 53 0.103 -4.941 -3.467 1.00 52.34 N ATOM 813 CA ARG A 53 -0.853 -4.299 -4.385 1.00 44.32 C ATOM 814 C ARG A 53 -2.096 -3.768 -3.653 1.00 2.22 C ATOM 815 O ARG A 53 -2.327 -4.074 -2.481 1.00 62.45 O ATOM 816 CB ARG A 53 -1.327 -5.291 -5.456 1.00 62.44 C ATOM 817 CG ARG A 53 -2.187 -6.427 -4.901 1.00 31.10 C ATOM 818 CD ARG A 53 -2.943 -7.160 -6.004 1.00 15.35 C ATOM 819 NE ARG A 53 -3.673 -8.322 -5.498 1.00 32.42 N ATOM 820 CZ ARG A 53 -4.744 -8.817 -6.053 1.00 64.43 C ATOM 821 NH1 ARG A 53 -5.340 -8.194 -7.021 1.00 44.44 N ATOM 822 NH2 ARG A 53 -5.242 -9.921 -5.609 1.00 51.00 N ATOM 0 H ARG A 53 -0.316 -5.296 -2.607 1.00 52.34 H new ATOM 0 HA ARG A 53 -0.322 -3.463 -4.841 1.00 44.32 H new ATOM 0 HB2 ARG A 53 -1.897 -4.751 -6.212 1.00 62.44 H new ATOM 0 HB3 ARG A 53 -0.457 -5.716 -5.956 1.00 62.44 H new ATOM 0 HG2 ARG A 53 -1.553 -7.133 -4.364 1.00 31.10 H new ATOM 0 HG3 ARG A 53 -2.898 -6.025 -4.179 1.00 31.10 H new ATOM 0 HD2 ARG A 53 -3.643 -6.473 -6.480 1.00 15.35 H new ATOM 0 HD3 ARG A 53 -2.239 -7.482 -6.772 1.00 15.35 H new ATOM 0 HE ARG A 53 -3.321 -8.775 -4.655 1.00 32.42 H new ATOM 0 HH11 ARG A 53 -4.972 -7.304 -7.358 1.00 44.44 H new ATOM 0 HH12 ARG A 53 -6.177 -8.593 -7.446 1.00 44.44 H new ATOM 0 HH21 ARG A 53 -4.798 -10.403 -4.827 1.00 51.00 H new ATOM 0 HH22 ARG A 53 -6.080 -10.312 -6.040 1.00 51.00 H new ATOM 836 N ILE A 54 -2.892 -2.971 -4.366 1.00 31.21 N ATOM 837 CA ILE A 54 -4.233 -2.588 -3.909 1.00 23.15 C ATOM 838 C ILE A 54 -5.294 -3.410 -4.655 1.00 41.42 C ATOM 839 O ILE A 54 -5.385 -3.354 -5.883 1.00 33.01 O ATOM 840 CB ILE A 54 -4.515 -1.079 -4.137 1.00 64.31 C ATOM 841 CG1 ILE A 54 -3.518 -0.225 -3.343 1.00 63.12 C ATOM 842 CG2 ILE A 54 -5.957 -0.730 -3.753 1.00 50.43 C ATOM 843 CD1 ILE A 54 -3.730 1.264 -3.499 1.00 54.24 C ATOM 0 H ILE A 54 -2.631 -2.574 -5.269 1.00 31.21 H new ATOM 0 HA ILE A 54 -4.280 -2.788 -2.838 1.00 23.15 H new ATOM 0 HB ILE A 54 -4.388 -0.861 -5.197 1.00 64.31 H new ATOM 0 HG12 ILE A 54 -3.592 -0.484 -2.287 1.00 63.12 H new ATOM 0 HG13 ILE A 54 -2.506 -0.474 -3.662 1.00 63.12 H new ATOM 0 HG21 ILE A 54 -6.131 0.333 -3.921 1.00 50.43 H new ATOM 0 HG22 ILE A 54 -6.647 -1.312 -4.364 1.00 50.43 H new ATOM 0 HG23 ILE A 54 -6.120 -0.962 -2.700 1.00 50.43 H new ATOM 0 HD11 ILE A 54 -2.988 1.801 -2.909 1.00 54.24 H new ATOM 0 HD12 ILE A 54 -3.626 1.538 -4.549 1.00 54.24 H new ATOM 0 HD13 ILE A 54 -4.729 1.528 -3.152 1.00 54.24 H new ATOM 855 N LYS A 55 -6.087 -4.184 -3.919 1.00 52.54 N ATOM 856 CA LYS A 55 -7.121 -5.020 -4.542 1.00 14.32 C ATOM 857 C LYS A 55 -8.348 -4.179 -4.913 1.00 3.24 C ATOM 858 O LYS A 55 -8.978 -4.398 -5.954 1.00 72.14 O ATOM 859 CB LYS A 55 -7.534 -6.157 -3.601 1.00 63.43 C ATOM 860 CG LYS A 55 -6.359 -6.959 -3.061 1.00 43.01 C ATOM 861 CD LYS A 55 -6.810 -8.217 -2.321 1.00 4.53 C ATOM 862 CE LYS A 55 -7.392 -9.261 -3.267 1.00 21.14 C ATOM 863 NZ LYS A 55 -7.603 -10.566 -2.590 1.00 51.41 N ATOM 0 H LYS A 55 -6.039 -4.253 -2.902 1.00 52.54 H new ATOM 0 HA LYS A 55 -6.703 -5.450 -5.452 1.00 14.32 H new ATOM 0 HB2 LYS A 55 -8.093 -5.739 -2.764 1.00 63.43 H new ATOM 0 HB3 LYS A 55 -8.209 -6.829 -4.131 1.00 63.43 H new ATOM 0 HG2 LYS A 55 -5.704 -7.240 -3.885 1.00 43.01 H new ATOM 0 HG3 LYS A 55 -5.773 -6.333 -2.387 1.00 43.01 H new ATOM 0 HD2 LYS A 55 -5.963 -8.646 -1.786 1.00 4.53 H new ATOM 0 HD3 LYS A 55 -7.557 -7.949 -1.574 1.00 4.53 H new ATOM 0 HE2 LYS A 55 -8.341 -8.901 -3.665 1.00 21.14 H new ATOM 0 HE3 LYS A 55 -6.721 -9.396 -4.115 1.00 21.14 H new ATOM 0 HZ1 LYS A 55 -7.837 -11.291 -3.298 1.00 51.41 H new ATOM 0 HZ2 LYS A 55 -6.735 -10.841 -2.087 1.00 51.41 H new ATOM 0 HZ3 LYS A 55 -8.385 -10.482 -1.910 1.00 51.41 H new ATOM 877 N GLU A 56 -8.675 -3.228 -4.043 1.00 54.10 N ATOM 878 CA GLU A 56 -9.814 -2.329 -4.245 1.00 63.40 C ATOM 879 C GLU A 56 -9.807 -1.179 -3.230 1.00 62.12 C ATOM 880 O GLU A 56 -9.506 -1.374 -2.051 1.00 30.33 O ATOM 881 CB GLU A 56 -11.139 -3.105 -4.129 1.00 11.34 C ATOM 882 CG GLU A 56 -12.380 -2.214 -4.143 1.00 13.04 C ATOM 883 CD GLU A 56 -13.675 -2.995 -4.019 1.00 4.20 C ATOM 884 OE1 GLU A 56 -14.010 -3.435 -2.898 1.00 70.42 O ATOM 885 OE2 GLU A 56 -14.366 -3.176 -5.047 1.00 50.41 O ATOM 0 H GLU A 56 -8.161 -3.056 -3.179 1.00 54.10 H new ATOM 0 HA GLU A 56 -9.724 -1.908 -5.246 1.00 63.40 H new ATOM 0 HB2 GLU A 56 -11.205 -3.817 -4.952 1.00 11.34 H new ATOM 0 HB3 GLU A 56 -11.130 -3.685 -3.206 1.00 11.34 H new ATOM 0 HG2 GLU A 56 -12.315 -1.498 -3.324 1.00 13.04 H new ATOM 0 HG3 GLU A 56 -12.397 -1.639 -5.069 1.00 13.04 H new ATOM 892 N ASP A 57 -10.124 0.023 -3.696 1.00 72.23 N ATOM 893 CA ASP A 57 -10.355 1.159 -2.807 1.00 54.42 C ATOM 894 C ASP A 57 -11.500 2.023 -3.348 1.00 3.54 C ATOM 895 O ASP A 57 -11.860 1.932 -4.521 1.00 40.44 O ATOM 896 CB ASP A 57 -9.073 1.985 -2.614 1.00 31.10 C ATOM 897 CG ASP A 57 -8.687 2.813 -3.828 1.00 15.51 C ATOM 898 OD1 ASP A 57 -8.534 2.237 -4.919 1.00 74.13 O ATOM 899 OD2 ASP A 57 -8.525 4.047 -3.680 1.00 33.23 O ATOM 0 H ASP A 57 -10.228 0.238 -4.688 1.00 72.23 H new ATOM 0 HA ASP A 57 -10.643 0.780 -1.826 1.00 54.42 H new ATOM 0 HB2 ASP A 57 -9.205 2.649 -1.760 1.00 31.10 H new ATOM 0 HB3 ASP A 57 -8.252 1.311 -2.369 1.00 31.10 H new ATOM 904 N ASN A 58 -12.077 2.854 -2.498 1.00 61.13 N ATOM 905 CA ASN A 58 -13.227 3.672 -2.894 1.00 63.22 C ATOM 906 C ASN A 58 -12.770 4.974 -3.578 1.00 50.02 C ATOM 907 O ASN A 58 -12.931 6.068 -3.037 1.00 43.45 O ATOM 908 CB ASN A 58 -14.095 3.966 -1.664 1.00 72.42 C ATOM 909 CG ASN A 58 -15.415 4.630 -2.000 1.00 3.04 C ATOM 910 OD1 ASN A 58 -15.946 4.487 -3.096 1.00 25.42 O ATOM 911 ND2 ASN A 58 -15.975 5.333 -1.040 1.00 65.42 N ATOM 0 H ASN A 58 -11.776 2.985 -1.532 1.00 61.13 H new ATOM 0 HA ASN A 58 -13.823 3.118 -3.620 1.00 63.22 H new ATOM 0 HB2 ASN A 58 -14.291 3.033 -1.136 1.00 72.42 H new ATOM 0 HB3 ASN A 58 -13.538 4.608 -0.981 1.00 72.42 H new ATOM 0 HD21 ASN A 58 -16.879 5.780 -1.196 1.00 65.42 H new ATOM 0 HD22 ASN A 58 -15.506 5.432 -0.140 1.00 65.42 H new ATOM 918 N SER A 59 -12.159 4.838 -4.755 1.00 0.43 N ATOM 919 CA SER A 59 -11.657 5.997 -5.518 1.00 72.32 C ATOM 920 C SER A 59 -12.154 5.961 -6.972 1.00 12.54 C ATOM 921 O SER A 59 -12.300 4.885 -7.553 1.00 73.22 O ATOM 922 CB SER A 59 -10.118 6.028 -5.502 1.00 72.40 C ATOM 923 OG SER A 59 -9.620 7.199 -6.127 1.00 34.54 O ATOM 0 H SER A 59 -11.996 3.938 -5.207 1.00 0.43 H new ATOM 0 HA SER A 59 -12.041 6.898 -5.040 1.00 72.32 H new ATOM 0 HB2 SER A 59 -9.762 5.983 -4.473 1.00 72.40 H new ATOM 0 HB3 SER A 59 -9.729 5.147 -6.013 1.00 72.40 H new ATOM 0 HG SER A 59 -8.640 7.192 -6.101 1.00 34.54 H new ATOM 929 N PRO A 60 -12.420 7.134 -7.582 1.00 41.21 N ATOM 930 CA PRO A 60 -12.886 7.214 -8.982 1.00 62.22 C ATOM 931 C PRO A 60 -11.802 6.822 -10.005 1.00 43.25 C ATOM 932 O PRO A 60 -12.100 6.218 -11.038 1.00 34.32 O ATOM 933 CB PRO A 60 -13.271 8.693 -9.139 1.00 53.10 C ATOM 934 CG PRO A 60 -12.430 9.412 -8.136 1.00 4.01 C ATOM 935 CD PRO A 60 -12.305 8.473 -6.963 1.00 55.13 C ATOM 0 HA PRO A 60 -13.703 6.518 -9.175 1.00 62.22 H new ATOM 0 HB2 PRO A 60 -13.073 9.049 -10.150 1.00 53.10 H new ATOM 0 HB3 PRO A 60 -14.333 8.848 -8.949 1.00 53.10 H new ATOM 0 HG2 PRO A 60 -11.451 9.656 -8.548 1.00 4.01 H new ATOM 0 HG3 PRO A 60 -12.894 10.352 -7.838 1.00 4.01 H new ATOM 0 HD2 PRO A 60 -11.352 8.597 -6.449 1.00 55.13 H new ATOM 0 HD3 PRO A 60 -13.090 8.644 -6.226 1.00 55.13 H new ATOM 943 N ASP A 61 -10.549 7.171 -9.713 1.00 23.13 N ATOM 944 CA ASP A 61 -9.427 6.878 -10.617 1.00 12.40 C ATOM 945 C ASP A 61 -8.988 5.408 -10.533 1.00 75.11 C ATOM 946 O ASP A 61 -8.729 4.770 -11.557 1.00 51.14 O ATOM 947 CB ASP A 61 -8.245 7.798 -10.298 1.00 40.14 C ATOM 948 CG ASP A 61 -7.933 7.831 -8.813 1.00 41.42 C ATOM 949 OD1 ASP A 61 -7.196 6.945 -8.327 1.00 21.40 O ATOM 950 OD2 ASP A 61 -8.440 8.733 -8.123 1.00 44.15 O ATOM 0 H ASP A 61 -10.281 7.658 -8.858 1.00 23.13 H new ATOM 0 HA ASP A 61 -9.769 7.060 -11.636 1.00 12.40 H new ATOM 0 HB2 ASP A 61 -7.365 7.460 -10.846 1.00 40.14 H new ATOM 0 HB3 ASP A 61 -8.468 8.807 -10.644 1.00 40.14 H new ATOM 955 N GLN A 62 -8.886 4.887 -9.307 1.00 23.53 N ATOM 956 CA GLN A 62 -8.474 3.496 -9.072 1.00 10.01 C ATOM 957 C GLN A 62 -7.036 3.237 -9.553 1.00 42.15 C ATOM 958 O GLN A 62 -6.671 2.101 -9.860 1.00 24.04 O ATOM 959 CB GLN A 62 -9.452 2.516 -9.753 1.00 41.03 C ATOM 960 CG GLN A 62 -10.831 2.473 -9.101 1.00 63.51 C ATOM 961 CD GLN A 62 -10.788 1.881 -7.702 1.00 24.22 C ATOM 962 OE1 GLN A 62 -10.967 0.683 -7.510 1.00 0.21 O ATOM 963 NE2 GLN A 62 -10.554 2.716 -6.712 1.00 32.03 N ATOM 0 H GLN A 62 -9.084 5.411 -8.454 1.00 23.53 H new ATOM 0 HA GLN A 62 -8.498 3.328 -7.995 1.00 10.01 H new ATOM 0 HB2 GLN A 62 -9.564 2.797 -10.800 1.00 41.03 H new ATOM 0 HB3 GLN A 62 -9.020 1.515 -9.736 1.00 41.03 H new ATOM 0 HG2 GLN A 62 -11.240 3.482 -9.054 1.00 63.51 H new ATOM 0 HG3 GLN A 62 -11.506 1.884 -9.722 1.00 63.51 H new ATOM 0 HE21 GLN A 62 -10.409 3.707 -6.904 1.00 32.03 H new ATOM 0 HE22 GLN A 62 -10.517 2.372 -5.752 1.00 32.03 H new ATOM 972 N VAL A 63 -6.209 4.288 -9.577 1.00 42.21 N ATOM 973 CA VAL A 63 -4.823 4.177 -10.062 1.00 10.11 C ATOM 974 C VAL A 63 -4.060 3.048 -9.345 1.00 33.13 C ATOM 975 O VAL A 63 -3.319 2.287 -9.973 1.00 55.23 O ATOM 976 CB VAL A 63 -4.052 5.512 -9.876 1.00 34.40 C ATOM 977 CG1 VAL A 63 -2.595 5.383 -10.328 1.00 41.14 C ATOM 978 CG2 VAL A 63 -4.750 6.644 -10.628 1.00 41.10 C ATOM 0 H VAL A 63 -6.471 5.224 -9.268 1.00 42.21 H new ATOM 0 HA VAL A 63 -4.882 3.942 -11.125 1.00 10.11 H new ATOM 0 HB VAL A 63 -4.050 5.750 -8.812 1.00 34.40 H new ATOM 0 HG11 VAL A 63 -2.084 6.335 -10.184 1.00 41.14 H new ATOM 0 HG12 VAL A 63 -2.098 4.612 -9.739 1.00 41.14 H new ATOM 0 HG13 VAL A 63 -2.564 5.110 -11.383 1.00 41.14 H new ATOM 0 HG21 VAL A 63 -4.195 7.571 -10.486 1.00 41.10 H new ATOM 0 HG22 VAL A 63 -4.790 6.404 -11.691 1.00 41.10 H new ATOM 0 HG23 VAL A 63 -5.763 6.765 -10.245 1.00 41.10 H new ATOM 988 N GLY A 64 -4.259 2.940 -8.033 1.00 22.02 N ATOM 989 CA GLY A 64 -3.629 1.878 -7.255 1.00 74.43 C ATOM 990 C GLY A 64 -3.990 0.475 -7.745 1.00 3.00 C ATOM 991 O GLY A 64 -3.147 -0.424 -7.764 1.00 44.43 O ATOM 0 H GLY A 64 -4.848 3.571 -7.490 1.00 22.02 H new ATOM 0 HA2 GLY A 64 -2.547 2.002 -7.294 1.00 74.43 H new ATOM 0 HA3 GLY A 64 -3.924 1.978 -6.211 1.00 74.43 H new ATOM 995 N VAL A 65 -5.245 0.289 -8.147 1.00 52.13 N ATOM 996 CA VAL A 65 -5.707 -0.998 -8.678 1.00 74.35 C ATOM 997 C VAL A 65 -5.117 -1.264 -10.075 1.00 74.53 C ATOM 998 O VAL A 65 -4.725 -2.387 -10.394 1.00 55.31 O ATOM 999 CB VAL A 65 -7.255 -1.055 -8.750 1.00 11.04 C ATOM 1000 CG1 VAL A 65 -7.729 -2.418 -9.253 1.00 73.40 C ATOM 1001 CG2 VAL A 65 -7.869 -0.735 -7.385 1.00 54.23 C ATOM 0 H VAL A 65 -5.964 1.012 -8.116 1.00 52.13 H new ATOM 0 HA VAL A 65 -5.360 -1.771 -7.993 1.00 74.35 H new ATOM 0 HB VAL A 65 -7.590 -0.300 -9.462 1.00 11.04 H new ATOM 0 HG11 VAL A 65 -8.818 -2.432 -9.294 1.00 73.40 H new ATOM 0 HG12 VAL A 65 -7.326 -2.598 -10.249 1.00 73.40 H new ATOM 0 HG13 VAL A 65 -7.382 -3.197 -8.574 1.00 73.40 H new ATOM 0 HG21 VAL A 65 -8.956 -0.780 -7.455 1.00 54.23 H new ATOM 0 HG22 VAL A 65 -7.523 -1.462 -6.651 1.00 54.23 H new ATOM 0 HG23 VAL A 65 -7.566 0.265 -7.075 1.00 54.23 H new ATOM 1011 N LYS A 66 -5.049 -0.215 -10.900 1.00 53.41 N ATOM 1012 CA LYS A 66 -4.442 -0.312 -12.239 1.00 12.13 C ATOM 1013 C LYS A 66 -2.948 -0.675 -12.151 1.00 42.53 C ATOM 1014 O LYS A 66 -2.403 -1.315 -13.049 1.00 41.21 O ATOM 1015 CB LYS A 66 -4.615 1.011 -13.012 1.00 60.52 C ATOM 1016 CG LYS A 66 -5.981 1.188 -13.685 1.00 14.13 C ATOM 1017 CD LYS A 66 -7.142 1.051 -12.704 1.00 33.31 C ATOM 1018 CE LYS A 66 -8.482 1.389 -13.356 1.00 54.42 C ATOM 1019 NZ LYS A 66 -8.731 0.598 -14.590 1.00 14.10 N ATOM 0 H LYS A 66 -5.405 0.712 -10.668 1.00 53.41 H new ATOM 0 HA LYS A 66 -4.958 -1.108 -12.776 1.00 12.13 H new ATOM 0 HB2 LYS A 66 -4.454 1.841 -12.324 1.00 60.52 H new ATOM 0 HB3 LYS A 66 -3.839 1.074 -13.775 1.00 60.52 H new ATOM 0 HG2 LYS A 66 -6.024 2.169 -14.158 1.00 14.13 H new ATOM 0 HG3 LYS A 66 -6.090 0.447 -14.477 1.00 14.13 H new ATOM 0 HD2 LYS A 66 -7.173 0.032 -12.318 1.00 33.31 H new ATOM 0 HD3 LYS A 66 -6.977 1.710 -11.852 1.00 33.31 H new ATOM 0 HE2 LYS A 66 -9.286 1.206 -12.643 1.00 54.42 H new ATOM 0 HE3 LYS A 66 -8.507 2.451 -13.598 1.00 54.42 H new ATOM 0 HZ1 LYS A 66 -9.709 0.750 -14.908 1.00 14.10 H new ATOM 0 HZ2 LYS A 66 -8.073 0.902 -15.336 1.00 14.10 H new ATOM 0 HZ3 LYS A 66 -8.585 -0.412 -14.390 1.00 14.10 H new ATOM 1033 N MET A 67 -2.300 -0.258 -11.063 1.00 51.41 N ATOM 1034 CA MET A 67 -0.881 -0.563 -10.831 1.00 60.41 C ATOM 1035 C MET A 67 -0.622 -2.078 -10.739 1.00 5.44 C ATOM 1036 O MET A 67 0.337 -2.590 -11.322 1.00 44.21 O ATOM 1037 CB MET A 67 -0.396 0.133 -9.550 1.00 70.34 C ATOM 1038 CG MET A 67 -0.201 1.635 -9.705 1.00 13.35 C ATOM 1039 SD MET A 67 1.084 2.044 -10.903 1.00 53.33 S ATOM 1040 CE MET A 67 1.112 3.831 -10.784 1.00 14.11 C ATOM 0 H MET A 67 -2.734 0.294 -10.324 1.00 51.41 H new ATOM 0 HA MET A 67 -0.321 -0.187 -11.687 1.00 60.41 H new ATOM 0 HB2 MET A 67 -1.116 -0.050 -8.753 1.00 70.34 H new ATOM 0 HB3 MET A 67 0.547 -0.316 -9.238 1.00 70.34 H new ATOM 0 HG2 MET A 67 -1.141 2.090 -10.016 1.00 13.35 H new ATOM 0 HG3 MET A 67 0.058 2.066 -8.738 1.00 13.35 H new ATOM 0 HE1 MET A 67 1.861 4.230 -11.469 1.00 14.11 H new ATOM 0 HE2 MET A 67 0.132 4.229 -11.047 1.00 14.11 H new ATOM 0 HE3 MET A 67 1.361 4.124 -9.764 1.00 14.11 H new ATOM 1050 N GLY A 68 -1.472 -2.787 -10.005 1.00 34.05 N ATOM 1051 CA GLY A 68 -1.312 -4.231 -9.847 1.00 31.04 C ATOM 1052 C GLY A 68 -0.229 -4.610 -8.838 1.00 11.04 C ATOM 1053 O GLY A 68 0.007 -3.884 -7.872 1.00 52.23 O ATOM 0 H GLY A 68 -2.273 -2.391 -9.513 1.00 34.05 H new ATOM 0 HA2 GLY A 68 -2.261 -4.663 -9.530 1.00 31.04 H new ATOM 0 HA3 GLY A 68 -1.068 -4.671 -10.814 1.00 31.04 H new ATOM 1057 N TRP A 69 0.432 -5.747 -9.062 1.00 75.23 N ATOM 1058 CA TRP A 69 1.485 -6.224 -8.156 1.00 74.22 C ATOM 1059 C TRP A 69 2.796 -5.445 -8.342 1.00 63.02 C ATOM 1060 O TRP A 69 3.470 -5.568 -9.369 1.00 24.14 O ATOM 1061 CB TRP A 69 1.749 -7.726 -8.365 1.00 44.51 C ATOM 1062 CG TRP A 69 0.666 -8.621 -7.836 1.00 13.42 C ATOM 1063 CD1 TRP A 69 -0.230 -9.355 -8.561 1.00 3.54 C ATOM 1064 CD2 TRP A 69 0.368 -8.877 -6.458 1.00 32.35 C ATOM 1065 NE1 TRP A 69 -1.058 -10.055 -7.717 1.00 21.21 N ATOM 1066 CE2 TRP A 69 -0.714 -9.775 -6.423 1.00 33.55 C ATOM 1067 CE3 TRP A 69 0.911 -8.431 -5.252 1.00 64.25 C ATOM 1068 CZ2 TRP A 69 -1.256 -10.241 -5.230 1.00 51.31 C ATOM 1069 CZ3 TRP A 69 0.371 -8.890 -4.068 1.00 35.32 C ATOM 1070 CH2 TRP A 69 -0.705 -9.783 -4.065 1.00 50.24 C ATOM 0 H TRP A 69 0.259 -6.356 -9.862 1.00 75.23 H new ATOM 0 HA TRP A 69 1.127 -6.057 -7.140 1.00 74.22 H new ATOM 0 HB2 TRP A 69 1.874 -7.917 -9.431 1.00 44.51 H new ATOM 0 HB3 TRP A 69 2.690 -7.989 -7.882 1.00 44.51 H new ATOM 0 HD1 TRP A 69 -0.280 -9.381 -9.640 1.00 3.54 H new ATOM 0 HE1 TRP A 69 -1.808 -10.682 -8.008 1.00 21.21 H new ATOM 0 HE3 TRP A 69 1.740 -7.738 -5.246 1.00 64.25 H new ATOM 0 HZ2 TRP A 69 -2.081 -10.938 -5.224 1.00 51.31 H new ATOM 0 HZ3 TRP A 69 0.786 -8.554 -3.129 1.00 35.32 H new ATOM 0 HH2 TRP A 69 -1.110 -10.119 -3.122 1.00 50.24 H new ATOM 1081 N LYS A 70 3.155 -4.647 -7.343 1.00 13.01 N ATOM 1082 CA LYS A 70 4.433 -3.928 -7.342 1.00 21.32 C ATOM 1083 C LYS A 70 5.437 -4.598 -6.394 1.00 14.23 C ATOM 1084 O LYS A 70 5.063 -5.109 -5.336 1.00 14.23 O ATOM 1085 CB LYS A 70 4.215 -2.458 -6.959 1.00 60.44 C ATOM 1086 CG LYS A 70 3.331 -1.701 -7.947 1.00 64.01 C ATOM 1087 CD LYS A 70 3.842 -1.849 -9.379 1.00 32.24 C ATOM 1088 CE LYS A 70 2.976 -1.099 -10.381 1.00 3.23 C ATOM 1089 NZ LYS A 70 3.379 -1.394 -11.779 1.00 73.44 N ATOM 0 H LYS A 70 2.579 -4.478 -6.518 1.00 13.01 H new ATOM 0 HA LYS A 70 4.850 -3.964 -8.348 1.00 21.32 H new ATOM 0 HB2 LYS A 70 3.763 -2.411 -5.968 1.00 60.44 H new ATOM 0 HB3 LYS A 70 5.182 -1.960 -6.892 1.00 60.44 H new ATOM 0 HG2 LYS A 70 2.309 -2.075 -7.883 1.00 64.01 H new ATOM 0 HG3 LYS A 70 3.302 -0.645 -7.677 1.00 64.01 H new ATOM 0 HD2 LYS A 70 4.865 -1.478 -9.437 1.00 32.24 H new ATOM 0 HD3 LYS A 70 3.870 -2.906 -9.645 1.00 32.24 H new ATOM 0 HE2 LYS A 70 1.931 -1.374 -10.237 1.00 3.23 H new ATOM 0 HE3 LYS A 70 3.052 -0.027 -10.198 1.00 3.23 H new ATOM 0 HZ1 LYS A 70 2.768 -0.867 -12.435 1.00 73.44 H new ATOM 0 HZ2 LYS A 70 4.369 -1.109 -11.922 1.00 73.44 H new ATOM 0 HZ3 LYS A 70 3.283 -2.414 -11.960 1.00 73.44 H new ATOM 1103 N SER A 71 6.712 -4.601 -6.776 1.00 33.01 N ATOM 1104 CA SER A 71 7.743 -5.333 -6.021 1.00 21.03 C ATOM 1105 C SER A 71 9.165 -4.986 -6.481 1.00 12.14 C ATOM 1106 O SER A 71 10.112 -5.728 -6.213 1.00 11.13 O ATOM 1107 CB SER A 71 7.515 -6.846 -6.165 1.00 72.32 C ATOM 1108 OG SER A 71 7.508 -7.245 -7.530 1.00 24.40 O ATOM 0 H SER A 71 7.061 -4.109 -7.599 1.00 33.01 H new ATOM 0 HA SER A 71 7.653 -5.032 -4.977 1.00 21.03 H new ATOM 0 HB2 SER A 71 8.298 -7.385 -5.631 1.00 72.32 H new ATOM 0 HB3 SER A 71 6.567 -7.118 -5.701 1.00 72.32 H new ATOM 0 HG SER A 71 7.363 -8.212 -7.587 1.00 24.40 H new ATOM 1114 N LYS A 72 9.317 -3.859 -7.166 1.00 54.12 N ATOM 1115 CA LYS A 72 10.620 -3.422 -7.671 1.00 1.21 C ATOM 1116 C LYS A 72 11.030 -2.095 -7.016 1.00 74.23 C ATOM 1117 O LYS A 72 10.185 -1.240 -6.737 1.00 1.21 O ATOM 1118 CB LYS A 72 10.590 -3.254 -9.204 1.00 64.54 C ATOM 1119 CG LYS A 72 10.251 -4.525 -9.994 1.00 54.03 C ATOM 1120 CD LYS A 72 8.760 -4.868 -9.934 1.00 3.10 C ATOM 1121 CE LYS A 72 8.402 -6.073 -10.798 1.00 30.45 C ATOM 1122 NZ LYS A 72 9.055 -7.326 -10.327 1.00 12.42 N ATOM 0 H LYS A 72 8.550 -3.224 -7.388 1.00 54.12 H new ATOM 0 HA LYS A 72 11.351 -4.190 -7.418 1.00 1.21 H new ATOM 0 HB2 LYS A 72 9.860 -2.484 -9.455 1.00 64.54 H new ATOM 0 HB3 LYS A 72 11.563 -2.890 -9.533 1.00 64.54 H new ATOM 0 HG2 LYS A 72 10.549 -4.394 -11.034 1.00 54.03 H new ATOM 0 HG3 LYS A 72 10.830 -5.360 -9.599 1.00 54.03 H new ATOM 0 HD2 LYS A 72 8.478 -5.070 -8.901 1.00 3.10 H new ATOM 0 HD3 LYS A 72 8.179 -4.006 -10.260 1.00 3.10 H new ATOM 0 HE2 LYS A 72 7.320 -6.208 -10.797 1.00 30.45 H new ATOM 0 HE3 LYS A 72 8.698 -5.878 -11.829 1.00 30.45 H new ATOM 0 HZ1 LYS A 72 8.754 -8.121 -10.926 1.00 12.42 H new ATOM 0 HZ2 LYS A 72 10.088 -7.222 -10.384 1.00 12.42 H new ATOM 0 HZ3 LYS A 72 8.780 -7.512 -9.341 1.00 12.42 H new ATOM 1136 N ALA A 73 12.329 -1.921 -6.769 1.00 64.52 N ATOM 1137 CA ALA A 73 12.832 -0.682 -6.158 1.00 73.40 C ATOM 1138 C ALA A 73 12.583 0.533 -7.069 1.00 3.14 C ATOM 1139 O ALA A 73 13.384 0.833 -7.961 1.00 65.42 O ATOM 1140 CB ALA A 73 14.316 -0.810 -5.820 1.00 74.11 C ATOM 0 H ALA A 73 13.049 -2.613 -6.979 1.00 64.52 H new ATOM 0 HA ALA A 73 12.281 -0.521 -5.232 1.00 73.40 H new ATOM 0 HB1 ALA A 73 14.668 0.118 -5.369 1.00 74.11 H new ATOM 0 HB2 ALA A 73 14.460 -1.632 -5.119 1.00 74.11 H new ATOM 0 HB3 ALA A 73 14.881 -1.008 -6.731 1.00 74.11 H new ATOM 1146 N GLY A 74 11.458 1.211 -6.845 1.00 52.23 N ATOM 1147 CA GLY A 74 11.072 2.346 -7.680 1.00 33.54 C ATOM 1148 C GLY A 74 9.560 2.474 -7.868 1.00 42.51 C ATOM 1149 O GLY A 74 9.064 3.542 -8.228 1.00 20.13 O ATOM 0 H GLY A 74 10.801 0.995 -6.095 1.00 52.23 H new ATOM 0 HA2 GLY A 74 11.454 3.264 -7.233 1.00 33.54 H new ATOM 0 HA3 GLY A 74 11.545 2.247 -8.657 1.00 33.54 H new ATOM 1153 N ASP A 75 8.825 1.384 -7.641 1.00 1.41 N ATOM 1154 CA ASP A 75 7.359 1.393 -7.779 1.00 25.34 C ATOM 1155 C ASP A 75 6.685 2.292 -6.725 1.00 5.45 C ATOM 1156 O ASP A 75 7.029 2.248 -5.542 1.00 43.55 O ATOM 1157 CB ASP A 75 6.795 -0.029 -7.654 1.00 12.53 C ATOM 1158 CG ASP A 75 7.252 -0.968 -8.757 1.00 31.02 C ATOM 1159 OD1 ASP A 75 7.358 -0.526 -9.923 1.00 34.15 O ATOM 1160 OD2 ASP A 75 7.484 -2.159 -8.465 1.00 31.23 O ATOM 0 H ASP A 75 9.215 0.484 -7.361 1.00 1.41 H new ATOM 0 HA ASP A 75 7.140 1.795 -8.768 1.00 25.34 H new ATOM 0 HB2 ASP A 75 7.091 -0.444 -6.690 1.00 12.53 H new ATOM 0 HB3 ASP A 75 5.706 0.020 -7.659 1.00 12.53 H new ATOM 1165 N THR A 76 5.715 3.100 -7.158 1.00 4.50 N ATOM 1166 CA THR A 76 4.939 3.951 -6.236 1.00 63.23 C ATOM 1167 C THR A 76 3.429 3.855 -6.509 1.00 73.35 C ATOM 1168 O THR A 76 2.995 3.687 -7.649 1.00 55.13 O ATOM 1169 CB THR A 76 5.364 5.443 -6.309 1.00 21.34 C ATOM 1170 OG1 THR A 76 5.141 5.964 -7.629 1.00 22.21 O ATOM 1171 CG2 THR A 76 6.834 5.627 -5.927 1.00 24.22 C ATOM 0 H THR A 76 5.444 3.187 -8.137 1.00 4.50 H new ATOM 0 HA THR A 76 5.154 3.573 -5.236 1.00 63.23 H new ATOM 0 HB THR A 76 4.752 5.992 -5.593 1.00 21.34 H new ATOM 0 HG1 THR A 76 5.412 6.905 -7.659 1.00 22.21 H new ATOM 0 HG21 THR A 76 7.097 6.683 -5.989 1.00 24.22 H new ATOM 0 HG22 THR A 76 6.992 5.273 -4.908 1.00 24.22 H new ATOM 0 HG23 THR A 76 7.462 5.056 -6.611 1.00 24.22 H new ATOM 1179 N ILE A 77 2.640 3.949 -5.443 1.00 5.14 N ATOM 1180 CA ILE A 77 1.175 3.884 -5.527 1.00 51.51 C ATOM 1181 C ILE A 77 0.549 5.202 -5.040 1.00 22.32 C ATOM 1182 O ILE A 77 0.881 5.685 -3.958 1.00 20.43 O ATOM 1183 CB ILE A 77 0.619 2.727 -4.658 1.00 21.21 C ATOM 1184 CG1 ILE A 77 1.337 1.400 -4.972 1.00 13.13 C ATOM 1185 CG2 ILE A 77 -0.886 2.584 -4.858 1.00 21.32 C ATOM 1186 CD1 ILE A 77 1.155 0.916 -6.397 1.00 24.24 C ATOM 0 H ILE A 77 2.993 4.072 -4.494 1.00 5.14 H new ATOM 0 HA ILE A 77 0.916 3.711 -6.572 1.00 51.51 H new ATOM 0 HB ILE A 77 0.809 2.970 -3.613 1.00 21.21 H new ATOM 0 HG12 ILE A 77 2.402 1.521 -4.775 1.00 13.13 H new ATOM 0 HG13 ILE A 77 0.972 0.632 -4.290 1.00 13.13 H new ATOM 0 HG21 ILE A 77 -1.259 1.767 -4.240 1.00 21.32 H new ATOM 0 HG22 ILE A 77 -1.381 3.512 -4.571 1.00 21.32 H new ATOM 0 HG23 ILE A 77 -1.095 2.371 -5.906 1.00 21.32 H new ATOM 0 HD11 ILE A 77 1.692 -0.023 -6.534 1.00 24.24 H new ATOM 0 HD12 ILE A 77 0.095 0.760 -6.596 1.00 24.24 H new ATOM 0 HD13 ILE A 77 1.547 1.662 -7.088 1.00 24.24 H new ATOM 1198 N VAL A 78 -0.361 5.779 -5.828 1.00 43.40 N ATOM 1199 CA VAL A 78 -0.984 7.062 -5.464 1.00 45.33 C ATOM 1200 C VAL A 78 -2.524 6.982 -5.415 1.00 2.41 C ATOM 1201 O VAL A 78 -3.178 6.721 -6.428 1.00 24.40 O ATOM 1202 CB VAL A 78 -0.580 8.185 -6.458 1.00 5.31 C ATOM 1203 CG1 VAL A 78 -1.112 9.540 -5.990 1.00 61.22 C ATOM 1204 CG2 VAL A 78 0.938 8.235 -6.648 1.00 14.20 C ATOM 0 H VAL A 78 -0.683 5.387 -6.713 1.00 43.40 H new ATOM 0 HA VAL A 78 -0.616 7.296 -4.465 1.00 45.33 H new ATOM 0 HB VAL A 78 -1.031 7.955 -7.423 1.00 5.31 H new ATOM 0 HG11 VAL A 78 -0.817 10.312 -6.701 1.00 61.22 H new ATOM 0 HG12 VAL A 78 -2.199 9.502 -5.926 1.00 61.22 H new ATOM 0 HG13 VAL A 78 -0.699 9.774 -5.009 1.00 61.22 H new ATOM 0 HG21 VAL A 78 1.191 9.031 -7.349 1.00 14.20 H new ATOM 0 HG22 VAL A 78 1.418 8.430 -5.689 1.00 14.20 H new ATOM 0 HG23 VAL A 78 1.287 7.280 -7.041 1.00 14.20 H new ATOM 1214 N CYS A 79 -3.090 7.213 -4.228 1.00 55.53 N ATOM 1215 CA CYS A 79 -4.544 7.386 -4.071 1.00 44.14 C ATOM 1216 C CYS A 79 -4.854 8.808 -3.584 1.00 12.11 C ATOM 1217 O CYS A 79 -5.073 9.044 -2.388 1.00 44.12 O ATOM 1218 CB CYS A 79 -5.136 6.351 -3.099 1.00 15.41 C ATOM 1219 SG CYS A 79 -5.108 4.647 -3.713 1.00 71.53 S ATOM 0 H CYS A 79 -2.565 7.285 -3.356 1.00 55.53 H new ATOM 0 HA CYS A 79 -5.007 7.228 -5.045 1.00 44.14 H new ATOM 0 HB2 CYS A 79 -4.584 6.395 -2.160 1.00 15.41 H new ATOM 0 HB3 CYS A 79 -6.167 6.627 -2.876 1.00 15.41 H new ATOM 0 HG CYS A 79 -6.322 4.185 -3.766 1.00 71.53 H new ATOM 1225 N LEU A 80 -4.869 9.751 -4.528 1.00 72.34 N ATOM 1226 CA LEU A 80 -4.999 11.184 -4.224 1.00 73.52 C ATOM 1227 C LEU A 80 -6.263 11.497 -3.389 1.00 55.31 C ATOM 1228 O LEU A 80 -6.155 12.105 -2.324 1.00 0.22 O ATOM 1229 CB LEU A 80 -4.970 12.005 -5.538 1.00 44.20 C ATOM 1230 CG LEU A 80 -4.644 13.512 -5.407 1.00 70.53 C ATOM 1231 CD1 LEU A 80 -4.345 14.112 -6.778 1.00 52.34 C ATOM 1232 CD2 LEU A 80 -5.781 14.285 -4.732 1.00 24.31 C ATOM 0 H LEU A 80 -4.792 9.547 -5.524 1.00 72.34 H new ATOM 0 HA LEU A 80 -4.148 11.474 -3.607 1.00 73.52 H new ATOM 0 HB2 LEU A 80 -4.235 11.554 -6.205 1.00 44.20 H new ATOM 0 HB3 LEU A 80 -5.942 11.908 -6.022 1.00 44.20 H new ATOM 0 HG LEU A 80 -3.761 13.601 -4.774 1.00 70.53 H new ATOM 0 HD11 LEU A 80 -4.118 15.172 -6.669 1.00 52.34 H new ATOM 0 HD12 LEU A 80 -3.490 13.601 -7.220 1.00 52.34 H new ATOM 0 HD13 LEU A 80 -5.214 13.992 -7.425 1.00 52.34 H new ATOM 0 HD21 LEU A 80 -5.512 15.339 -4.660 1.00 24.31 H new ATOM 0 HD22 LEU A 80 -6.691 14.183 -5.323 1.00 24.31 H new ATOM 0 HD23 LEU A 80 -5.950 13.884 -3.733 1.00 24.31 H new ATOM 1244 N PRO A 81 -7.477 11.077 -3.827 1.00 33.30 N ATOM 1245 CA PRO A 81 -8.728 11.403 -3.106 1.00 72.30 C ATOM 1246 C PRO A 81 -8.758 10.868 -1.659 1.00 71.33 C ATOM 1247 O PRO A 81 -9.600 11.269 -0.853 1.00 13.14 O ATOM 1248 CB PRO A 81 -9.819 10.721 -3.949 1.00 43.12 C ATOM 1249 CG PRO A 81 -9.202 10.521 -5.292 1.00 43.21 C ATOM 1250 CD PRO A 81 -7.745 10.263 -5.034 1.00 64.34 C ATOM 0 HA PRO A 81 -8.852 12.481 -3.002 1.00 72.30 H new ATOM 0 HB2 PRO A 81 -10.122 9.771 -3.509 1.00 43.12 H new ATOM 0 HB3 PRO A 81 -10.713 11.341 -4.014 1.00 43.12 H new ATOM 0 HG2 PRO A 81 -9.662 9.682 -5.813 1.00 43.21 H new ATOM 0 HG3 PRO A 81 -9.339 11.401 -5.921 1.00 43.21 H new ATOM 0 HD2 PRO A 81 -7.546 9.205 -4.861 1.00 64.34 H new ATOM 0 HD3 PRO A 81 -7.124 10.571 -5.876 1.00 64.34 H new ATOM 1258 N HIS A 82 -7.840 9.952 -1.339 1.00 61.21 N ATOM 1259 CA HIS A 82 -7.781 9.328 -0.008 1.00 63.54 C ATOM 1260 C HIS A 82 -6.618 9.878 0.835 1.00 2.32 C ATOM 1261 O HIS A 82 -6.467 9.502 1.996 1.00 71.35 O ATOM 1262 CB HIS A 82 -7.627 7.804 -0.148 1.00 12.33 C ATOM 1263 CG HIS A 82 -8.778 7.124 -0.828 1.00 23.14 C ATOM 1264 ND1 HIS A 82 -9.154 5.826 -0.552 1.00 44.45 N ATOM 1265 CD2 HIS A 82 -9.619 7.553 -1.796 1.00 72.33 C ATOM 1266 CE1 HIS A 82 -10.168 5.491 -1.318 1.00 61.50 C ATOM 1267 NE2 HIS A 82 -10.470 6.520 -2.077 1.00 23.32 N ATOM 0 H HIS A 82 -7.123 9.623 -1.985 1.00 61.21 H new ATOM 0 HA HIS A 82 -8.713 9.567 0.503 1.00 63.54 H new ATOM 0 HB2 HIS A 82 -6.715 7.593 -0.707 1.00 12.33 H new ATOM 0 HB3 HIS A 82 -7.500 7.371 0.844 1.00 12.33 H new ATOM 0 HD1 HIS A 82 -8.713 5.220 0.140 1.00 44.45 H new ATOM 0 HD2 HIS A 82 -9.619 8.528 -2.260 1.00 72.33 H new ATOM 0 HE1 HIS A 82 -10.668 4.534 -1.323 1.00 61.50 H new ATOM 0 HE2 HIS A 82 -11.221 6.545 -2.767 1.00 23.32 H new ATOM 1276 N LYS A 83 -5.801 10.757 0.244 1.00 14.11 N ATOM 1277 CA LYS A 83 -4.586 11.273 0.903 1.00 70.42 C ATOM 1278 C LYS A 83 -3.596 10.136 1.234 1.00 40.24 C ATOM 1279 O LYS A 83 -2.713 10.291 2.084 1.00 73.53 O ATOM 1280 CB LYS A 83 -4.940 12.055 2.182 1.00 44.44 C ATOM 1281 CG LYS A 83 -5.750 13.329 1.937 1.00 34.53 C ATOM 1282 CD LYS A 83 -6.062 14.053 3.245 1.00 63.55 C ATOM 1283 CE LYS A 83 -6.791 15.371 3.009 1.00 75.43 C ATOM 1284 NZ LYS A 83 -5.960 16.338 2.244 1.00 72.41 N ATOM 0 H LYS A 83 -5.956 11.130 -0.693 1.00 14.11 H new ATOM 0 HA LYS A 83 -4.102 11.952 0.201 1.00 70.42 H new ATOM 0 HB2 LYS A 83 -5.504 11.402 2.848 1.00 44.44 H new ATOM 0 HB3 LYS A 83 -4.018 12.319 2.700 1.00 44.44 H new ATOM 0 HG2 LYS A 83 -5.194 13.993 1.276 1.00 34.53 H new ATOM 0 HG3 LYS A 83 -6.680 13.078 1.428 1.00 34.53 H new ATOM 0 HD2 LYS A 83 -6.672 13.410 3.879 1.00 63.55 H new ATOM 0 HD3 LYS A 83 -5.134 14.244 3.784 1.00 63.55 H new ATOM 0 HE2 LYS A 83 -7.717 15.181 2.467 1.00 75.43 H new ATOM 0 HE3 LYS A 83 -7.067 15.809 3.968 1.00 75.43 H new ATOM 0 HZ1 LYS A 83 -6.383 17.286 2.308 1.00 72.41 H new ATOM 0 HZ2 LYS A 83 -4.999 16.361 2.641 1.00 72.41 H new ATOM 0 HZ3 LYS A 83 -5.915 16.045 1.247 1.00 72.41 H new ATOM 1298 N VAL A 84 -3.732 9.009 0.533 1.00 14.33 N ATOM 1299 CA VAL A 84 -2.893 7.829 0.775 1.00 53.50 C ATOM 1300 C VAL A 84 -1.818 7.674 -0.312 1.00 43.02 C ATOM 1301 O VAL A 84 -2.111 7.713 -1.512 1.00 54.22 O ATOM 1302 CB VAL A 84 -3.745 6.532 0.839 1.00 14.53 C ATOM 1303 CG1 VAL A 84 -2.862 5.301 1.053 1.00 42.42 C ATOM 1304 CG2 VAL A 84 -4.802 6.633 1.938 1.00 14.43 C ATOM 0 H VAL A 84 -4.419 8.886 -0.211 1.00 14.33 H new ATOM 0 HA VAL A 84 -2.406 7.982 1.738 1.00 53.50 H new ATOM 0 HB VAL A 84 -4.253 6.419 -0.119 1.00 14.53 H new ATOM 0 HG11 VAL A 84 -3.486 4.408 1.094 1.00 42.42 H new ATOM 0 HG12 VAL A 84 -2.155 5.212 0.228 1.00 42.42 H new ATOM 0 HG13 VAL A 84 -2.315 5.404 1.990 1.00 42.42 H new ATOM 0 HG21 VAL A 84 -5.387 5.714 1.965 1.00 14.43 H new ATOM 0 HG22 VAL A 84 -4.313 6.780 2.901 1.00 14.43 H new ATOM 0 HG23 VAL A 84 -5.461 7.477 1.733 1.00 14.43 H new ATOM 1314 N PHE A 85 -0.575 7.491 0.120 1.00 24.42 N ATOM 1315 CA PHE A 85 0.553 7.308 -0.796 1.00 21.35 C ATOM 1316 C PHE A 85 1.467 6.167 -0.325 1.00 53.12 C ATOM 1317 O PHE A 85 1.779 6.055 0.859 1.00 61.01 O ATOM 1318 CB PHE A 85 1.359 8.611 -0.917 1.00 63.23 C ATOM 1319 CG PHE A 85 2.553 8.503 -1.840 1.00 24.34 C ATOM 1320 CD1 PHE A 85 2.404 8.641 -3.213 1.00 63.13 C ATOM 1321 CD2 PHE A 85 3.824 8.255 -1.332 1.00 51.23 C ATOM 1322 CE1 PHE A 85 3.492 8.533 -4.058 1.00 0.30 C ATOM 1323 CE2 PHE A 85 4.913 8.144 -2.176 1.00 75.52 C ATOM 1324 CZ PHE A 85 4.748 8.287 -3.539 1.00 30.32 C ATOM 0 H PHE A 85 -0.318 7.465 1.107 1.00 24.42 H new ATOM 0 HA PHE A 85 0.152 7.044 -1.775 1.00 21.35 H new ATOM 0 HB2 PHE A 85 0.702 9.402 -1.278 1.00 63.23 H new ATOM 0 HB3 PHE A 85 1.702 8.909 0.074 1.00 63.23 H new ATOM 0 HD1 PHE A 85 1.425 8.835 -3.626 1.00 63.13 H new ATOM 0 HD2 PHE A 85 3.961 8.148 -0.266 1.00 51.23 H new ATOM 0 HE1 PHE A 85 3.360 8.641 -5.124 1.00 0.30 H new ATOM 0 HE2 PHE A 85 5.893 7.945 -1.769 1.00 75.52 H new ATOM 0 HZ PHE A 85 5.600 8.207 -4.198 1.00 30.32 H new ATOM 1334 N VAL A 86 1.893 5.326 -1.262 1.00 73.25 N ATOM 1335 CA VAL A 86 2.789 4.205 -0.959 1.00 32.21 C ATOM 1336 C VAL A 86 4.001 4.214 -1.903 1.00 43.54 C ATOM 1337 O VAL A 86 3.881 4.585 -3.068 1.00 73.32 O ATOM 1338 CB VAL A 86 2.050 2.846 -1.090 1.00 50.02 C ATOM 1339 CG1 VAL A 86 2.955 1.679 -0.694 1.00 73.04 C ATOM 1340 CG2 VAL A 86 0.766 2.843 -0.260 1.00 52.30 C ATOM 0 H VAL A 86 1.632 5.397 -2.246 1.00 73.25 H new ATOM 0 HA VAL A 86 3.128 4.325 0.070 1.00 32.21 H new ATOM 0 HB VAL A 86 1.780 2.716 -2.138 1.00 50.02 H new ATOM 0 HG11 VAL A 86 2.407 0.742 -0.797 1.00 73.04 H new ATOM 0 HG12 VAL A 86 3.830 1.661 -1.343 1.00 73.04 H new ATOM 0 HG13 VAL A 86 3.274 1.801 0.341 1.00 73.04 H new ATOM 0 HG21 VAL A 86 0.265 1.881 -0.368 1.00 52.30 H new ATOM 0 HG22 VAL A 86 1.011 3.010 0.789 1.00 52.30 H new ATOM 0 HG23 VAL A 86 0.105 3.637 -0.609 1.00 52.30 H new ATOM 1350 N GLU A 87 5.169 3.825 -1.405 1.00 12.02 N ATOM 1351 CA GLU A 87 6.367 3.729 -2.251 1.00 2.43 C ATOM 1352 C GLU A 87 7.254 2.541 -1.855 1.00 50.40 C ATOM 1353 O GLU A 87 7.359 2.186 -0.678 1.00 20.40 O ATOM 1354 CB GLU A 87 7.178 5.038 -2.202 1.00 10.04 C ATOM 1355 CG GLU A 87 7.619 5.455 -0.804 1.00 43.54 C ATOM 1356 CD GLU A 87 8.551 6.658 -0.819 1.00 13.11 C ATOM 1357 OE1 GLU A 87 8.066 7.804 -0.939 1.00 54.03 O ATOM 1358 OE2 GLU A 87 9.782 6.466 -0.721 1.00 24.20 O ATOM 0 H GLU A 87 5.318 3.571 -0.428 1.00 12.02 H new ATOM 0 HA GLU A 87 6.025 3.563 -3.273 1.00 2.43 H new ATOM 0 HB2 GLU A 87 8.062 4.927 -2.830 1.00 10.04 H new ATOM 0 HB3 GLU A 87 6.578 5.839 -2.634 1.00 10.04 H new ATOM 0 HG2 GLU A 87 6.739 5.689 -0.204 1.00 43.54 H new ATOM 0 HG3 GLU A 87 8.121 4.617 -0.320 1.00 43.54 H new ATOM 1365 N ILE A 88 7.878 1.921 -2.855 1.00 31.42 N ATOM 1366 CA ILE A 88 8.777 0.785 -2.630 1.00 14.42 C ATOM 1367 C ILE A 88 10.247 1.198 -2.812 1.00 55.02 C ATOM 1368 O ILE A 88 10.691 1.510 -3.922 1.00 74.54 O ATOM 1369 CB ILE A 88 8.445 -0.387 -3.589 1.00 3.14 C ATOM 1370 CG1 ILE A 88 6.983 -0.829 -3.404 1.00 44.41 C ATOM 1371 CG2 ILE A 88 9.404 -1.560 -3.364 1.00 34.43 C ATOM 1372 CD1 ILE A 88 6.557 -1.941 -4.338 1.00 53.31 C ATOM 0 H ILE A 88 7.778 2.186 -3.835 1.00 31.42 H new ATOM 0 HA ILE A 88 8.629 0.453 -1.602 1.00 14.42 H new ATOM 0 HB ILE A 88 8.572 -0.043 -4.615 1.00 3.14 H new ATOM 0 HG12 ILE A 88 6.840 -1.158 -2.375 1.00 44.41 H new ATOM 0 HG13 ILE A 88 6.331 0.031 -3.557 1.00 44.41 H new ATOM 0 HG21 ILE A 88 9.153 -2.371 -4.047 1.00 34.43 H new ATOM 0 HG22 ILE A 88 10.428 -1.234 -3.548 1.00 34.43 H new ATOM 0 HG23 ILE A 88 9.315 -1.911 -2.336 1.00 34.43 H new ATOM 0 HD11 ILE A 88 5.515 -2.197 -4.147 1.00 53.31 H new ATOM 0 HD12 ILE A 88 6.666 -1.610 -5.371 1.00 53.31 H new ATOM 0 HD13 ILE A 88 7.183 -2.817 -4.170 1.00 53.31 H new ATOM 1384 N LYS A 89 10.992 1.203 -1.711 1.00 22.31 N ATOM 1385 CA LYS A 89 12.407 1.590 -1.719 1.00 63.22 C ATOM 1386 C LYS A 89 13.292 0.417 -1.272 1.00 5.54 C ATOM 1387 O LYS A 89 12.913 -0.355 -0.396 1.00 0.12 O ATOM 1388 CB LYS A 89 12.612 2.798 -0.787 1.00 2.33 C ATOM 1389 CG LYS A 89 12.298 2.506 0.681 1.00 44.14 C ATOM 1390 CD LYS A 89 12.361 3.758 1.548 1.00 53.14 C ATOM 1391 CE LYS A 89 13.714 4.456 1.461 1.00 5.24 C ATOM 1392 NZ LYS A 89 14.816 3.644 2.034 1.00 74.52 N ATOM 0 H LYS A 89 10.639 0.941 -0.791 1.00 22.31 H new ATOM 0 HA LYS A 89 12.694 1.863 -2.734 1.00 63.22 H new ATOM 0 HB2 LYS A 89 13.645 3.136 -0.868 1.00 2.33 H new ATOM 0 HB3 LYS A 89 11.981 3.619 -1.127 1.00 2.33 H new ATOM 0 HG2 LYS A 89 11.304 2.065 0.756 1.00 44.14 H new ATOM 0 HG3 LYS A 89 13.004 1.768 1.061 1.00 44.14 H new ATOM 0 HD2 LYS A 89 11.577 4.450 1.240 1.00 53.14 H new ATOM 0 HD3 LYS A 89 12.159 3.489 2.585 1.00 53.14 H new ATOM 0 HE2 LYS A 89 13.937 4.678 0.417 1.00 5.24 H new ATOM 0 HE3 LYS A 89 13.660 5.410 1.986 1.00 5.24 H new ATOM 0 HZ1 LYS A 89 15.712 4.165 1.949 1.00 74.52 H new ATOM 0 HZ2 LYS A 89 14.621 3.453 3.037 1.00 74.52 H new ATOM 0 HZ3 LYS A 89 14.889 2.744 1.518 1.00 74.52 H new ATOM 1406 N SER A 90 14.466 0.271 -1.875 1.00 71.12 N ATOM 1407 CA SER A 90 15.390 -0.802 -1.481 1.00 41.43 C ATOM 1408 C SER A 90 16.256 -0.356 -0.299 1.00 45.45 C ATOM 1409 O SER A 90 16.967 0.648 -0.382 1.00 43.35 O ATOM 1410 CB SER A 90 16.284 -1.214 -2.660 1.00 73.52 C ATOM 1411 OG SER A 90 17.072 -2.351 -2.340 1.00 72.02 O ATOM 0 H SER A 90 14.803 0.869 -2.629 1.00 71.12 H new ATOM 0 HA SER A 90 14.796 -1.664 -1.179 1.00 41.43 H new ATOM 0 HB2 SER A 90 15.664 -1.432 -3.530 1.00 73.52 H new ATOM 0 HB3 SER A 90 16.935 -0.383 -2.933 1.00 73.52 H new ATOM 0 HG SER A 90 18.008 -2.081 -2.232 1.00 72.02 H new ATOM 1417 N THR A 91 16.206 -1.112 0.796 1.00 34.31 N ATOM 1418 CA THR A 91 16.947 -0.758 2.016 1.00 34.24 C ATOM 1419 C THR A 91 18.434 -1.110 1.888 1.00 73.03 C ATOM 1420 O THR A 91 19.287 -0.508 2.544 1.00 22.51 O ATOM 1421 CB THR A 91 16.355 -1.446 3.274 1.00 13.33 C ATOM 1422 OG1 THR A 91 17.075 -1.043 4.449 1.00 21.32 O ATOM 1423 CG2 THR A 91 16.391 -2.967 3.151 1.00 1.44 C ATOM 0 H THR A 91 15.663 -1.972 0.869 1.00 34.31 H new ATOM 0 HA THR A 91 16.848 0.321 2.137 1.00 34.24 H new ATOM 0 HB THR A 91 15.314 -1.133 3.358 1.00 13.33 H new ATOM 0 HG1 THR A 91 16.690 -1.483 5.235 1.00 21.32 H new ATOM 0 HG21 THR A 91 15.968 -3.415 4.050 1.00 1.44 H new ATOM 0 HG22 THR A 91 15.808 -3.276 2.283 1.00 1.44 H new ATOM 0 HG23 THR A 91 17.423 -3.298 3.031 1.00 1.44 H new ATOM 1431 N GLN A 92 18.737 -2.074 1.020 1.00 2.34 N ATOM 1432 CA GLN A 92 20.120 -2.495 0.769 1.00 52.13 C ATOM 1433 C GLN A 92 20.519 -2.236 -0.692 1.00 74.53 C ATOM 1434 O GLN A 92 19.666 -2.169 -1.576 1.00 43.13 O ATOM 1435 CB GLN A 92 20.285 -3.991 1.086 1.00 75.25 C ATOM 1436 CG GLN A 92 19.845 -4.390 2.492 1.00 31.13 C ATOM 1437 CD GLN A 92 20.649 -3.716 3.591 1.00 30.35 C ATOM 1438 OE1 GLN A 92 21.822 -3.396 3.421 1.00 40.30 O ATOM 1439 NE2 GLN A 92 20.028 -3.501 4.733 1.00 54.22 N ATOM 0 H GLN A 92 18.041 -2.582 0.475 1.00 2.34 H new ATOM 0 HA GLN A 92 20.771 -1.910 1.418 1.00 52.13 H new ATOM 0 HB2 GLN A 92 19.711 -4.569 0.361 1.00 75.25 H new ATOM 0 HB3 GLN A 92 21.332 -4.264 0.955 1.00 75.25 H new ATOM 0 HG2 GLN A 92 18.791 -4.142 2.619 1.00 31.13 H new ATOM 0 HG3 GLN A 92 19.933 -5.471 2.599 1.00 31.13 H new ATOM 0 HE21 GLN A 92 19.053 -3.778 4.843 1.00 54.22 H new ATOM 0 HE22 GLN A 92 20.523 -3.057 5.507 1.00 54.22 H new ATOM 1448 N LYS A 93 21.815 -2.079 -0.945 1.00 20.43 N ATOM 1449 CA LYS A 93 22.318 -1.917 -2.317 1.00 4.14 C ATOM 1450 C LYS A 93 22.841 -3.241 -2.892 1.00 31.23 C ATOM 1451 O LYS A 93 23.648 -3.932 -2.269 1.00 52.14 O ATOM 1452 CB LYS A 93 23.424 -0.853 -2.363 1.00 45.50 C ATOM 1453 CG LYS A 93 22.907 0.578 -2.244 1.00 23.24 C ATOM 1454 CD LYS A 93 22.051 0.993 -3.448 1.00 53.52 C ATOM 1455 CE LYS A 93 22.879 1.245 -4.714 1.00 42.43 C ATOM 1456 NZ LYS A 93 23.561 0.022 -5.216 1.00 34.35 N ATOM 0 H LYS A 93 22.538 -2.060 -0.226 1.00 20.43 H new ATOM 0 HA LYS A 93 21.480 -1.591 -2.933 1.00 4.14 H new ATOM 0 HB2 LYS A 93 24.131 -1.042 -1.555 1.00 45.50 H new ATOM 0 HB3 LYS A 93 23.974 -0.954 -3.299 1.00 45.50 H new ATOM 0 HG2 LYS A 93 22.317 0.674 -1.332 1.00 23.24 H new ATOM 0 HG3 LYS A 93 23.752 1.260 -2.150 1.00 23.24 H new ATOM 0 HD2 LYS A 93 21.316 0.214 -3.650 1.00 53.52 H new ATOM 0 HD3 LYS A 93 21.496 1.897 -3.198 1.00 53.52 H new ATOM 0 HE2 LYS A 93 22.228 1.638 -5.495 1.00 42.43 H new ATOM 0 HE3 LYS A 93 23.626 2.011 -4.506 1.00 42.43 H new ATOM 0 HZ1 LYS A 93 23.647 0.072 -6.251 1.00 34.35 H new ATOM 0 HZ2 LYS A 93 24.509 -0.045 -4.793 1.00 34.35 H new ATOM 0 HZ3 LYS A 93 23.005 -0.817 -4.955 1.00 34.35 H new ATOM 1470 N ASP A 94 22.375 -3.585 -4.089 1.00 50.42 N ATOM 1471 CA ASP A 94 22.819 -4.802 -4.772 1.00 2.22 C ATOM 1472 C ASP A 94 24.160 -4.582 -5.501 1.00 40.34 C ATOM 1473 O ASP A 94 24.555 -3.445 -5.776 1.00 44.24 O ATOM 1474 CB ASP A 94 21.741 -5.277 -5.752 1.00 3.15 C ATOM 1475 CG ASP A 94 22.189 -6.481 -6.556 1.00 50.34 C ATOM 1476 OD1 ASP A 94 22.542 -7.511 -5.945 1.00 13.01 O ATOM 1477 OD2 ASP A 94 22.211 -6.396 -7.798 1.00 33.24 O ATOM 0 H ASP A 94 21.689 -3.039 -4.609 1.00 50.42 H new ATOM 0 HA ASP A 94 22.979 -5.575 -4.020 1.00 2.22 H new ATOM 0 HB2 ASP A 94 20.835 -5.528 -5.200 1.00 3.15 H new ATOM 0 HB3 ASP A 94 21.486 -4.463 -6.431 1.00 3.15 H new ATOM 1482 N SER A 95 24.844 -5.680 -5.836 1.00 11.14 N ATOM 1483 CA SER A 95 26.207 -5.617 -6.387 1.00 2.04 C ATOM 1484 C SER A 95 26.266 -5.900 -7.901 1.00 64.04 C ATOM 1485 O SER A 95 27.352 -6.089 -8.452 1.00 3.35 O ATOM 1486 CB SER A 95 27.108 -6.617 -5.644 1.00 53.54 C ATOM 1487 OG SER A 95 28.480 -6.420 -5.958 1.00 54.40 O ATOM 0 H SER A 95 24.478 -6.627 -5.736 1.00 11.14 H new ATOM 0 HA SER A 95 26.559 -4.596 -6.242 1.00 2.04 H new ATOM 0 HB2 SER A 95 26.961 -6.510 -4.569 1.00 53.54 H new ATOM 0 HB3 SER A 95 26.817 -7.634 -5.906 1.00 53.54 H new ATOM 0 HG SER A 95 28.566 -6.162 -6.899 1.00 54.40 H new ATOM 1493 N LYS A 96 25.115 -5.936 -8.585 1.00 24.42 N ATOM 1494 CA LYS A 96 25.101 -6.144 -10.049 1.00 71.31 C ATOM 1495 C LYS A 96 24.418 -4.978 -10.786 1.00 54.22 C ATOM 1496 O LYS A 96 23.550 -4.297 -10.236 1.00 72.13 O ATOM 1497 CB LYS A 96 24.385 -7.454 -10.430 1.00 52.04 C ATOM 1498 CG LYS A 96 24.922 -8.707 -9.733 1.00 12.35 C ATOM 1499 CD LYS A 96 24.129 -9.043 -8.469 1.00 71.21 C ATOM 1500 CE LYS A 96 22.668 -9.367 -8.784 1.00 51.03 C ATOM 1501 NZ LYS A 96 21.873 -9.640 -7.557 1.00 33.21 N ATOM 0 H LYS A 96 24.193 -5.826 -8.162 1.00 24.42 H new ATOM 0 HA LYS A 96 26.145 -6.200 -10.356 1.00 71.31 H new ATOM 0 HB2 LYS A 96 23.325 -7.353 -10.198 1.00 52.04 H new ATOM 0 HB3 LYS A 96 24.463 -7.594 -11.508 1.00 52.04 H new ATOM 0 HG2 LYS A 96 24.881 -9.551 -10.422 1.00 12.35 H new ATOM 0 HG3 LYS A 96 25.970 -8.557 -9.474 1.00 12.35 H new ATOM 0 HD2 LYS A 96 24.590 -9.893 -7.966 1.00 71.21 H new ATOM 0 HD3 LYS A 96 24.174 -8.202 -7.778 1.00 71.21 H new ATOM 0 HE2 LYS A 96 22.222 -8.533 -9.325 1.00 51.03 H new ATOM 0 HE3 LYS A 96 22.624 -10.234 -9.443 1.00 51.03 H new ATOM 0 HZ1 LYS A 96 20.875 -9.406 -7.731 1.00 33.21 H new ATOM 0 HZ2 LYS A 96 21.954 -10.646 -7.307 1.00 33.21 H new ATOM 0 HZ3 LYS A 96 22.233 -9.059 -6.773 1.00 33.21 H new ATOM 1515 N ASP A 97 24.819 -4.758 -12.041 1.00 12.02 N ATOM 1516 CA ASP A 97 24.161 -3.777 -12.914 1.00 72.43 C ATOM 1517 C ASP A 97 23.021 -4.440 -13.713 1.00 72.44 C ATOM 1518 O ASP A 97 23.192 -5.527 -14.263 1.00 43.35 O ATOM 1519 CB ASP A 97 25.182 -3.155 -13.875 1.00 2.20 C ATOM 1520 CG ASP A 97 26.259 -2.375 -13.144 1.00 22.42 C ATOM 1521 OD1 ASP A 97 26.024 -1.193 -12.813 1.00 74.34 O ATOM 1522 OD2 ASP A 97 27.345 -2.937 -12.889 1.00 73.44 O ATOM 0 H ASP A 97 25.600 -5.248 -12.479 1.00 12.02 H new ATOM 0 HA ASP A 97 23.736 -2.991 -12.289 1.00 72.43 H new ATOM 0 HB2 ASP A 97 25.646 -3.943 -14.468 1.00 2.20 H new ATOM 0 HB3 ASP A 97 24.666 -2.493 -14.571 1.00 2.20 H new ATOM 1527 N PRO A 98 21.844 -3.784 -13.801 1.00 72.31 N ATOM 1528 CA PRO A 98 20.653 -4.371 -14.448 1.00 44.42 C ATOM 1529 C PRO A 98 20.765 -4.497 -15.979 1.00 61.45 C ATOM 1530 O PRO A 98 19.880 -5.062 -16.625 1.00 74.03 O ATOM 1531 CB PRO A 98 19.534 -3.390 -14.066 1.00 55.23 C ATOM 1532 CG PRO A 98 20.230 -2.086 -13.864 1.00 1.02 C ATOM 1533 CD PRO A 98 21.573 -2.430 -13.272 1.00 74.50 C ATOM 0 HA PRO A 98 20.491 -5.397 -14.118 1.00 44.42 H new ATOM 0 HB2 PRO A 98 18.782 -3.321 -14.852 1.00 55.23 H new ATOM 0 HB3 PRO A 98 19.019 -3.709 -13.160 1.00 55.23 H new ATOM 0 HG2 PRO A 98 20.343 -1.552 -14.807 1.00 1.02 H new ATOM 0 HG3 PRO A 98 19.662 -1.438 -13.197 1.00 1.02 H new ATOM 0 HD2 PRO A 98 22.341 -1.719 -13.577 1.00 74.50 H new ATOM 0 HD3 PRO A 98 21.546 -2.422 -12.182 1.00 74.50 H new ATOM 1541 N ASP A 99 21.846 -3.976 -16.561 1.00 70.50 N ATOM 1542 CA ASP A 99 22.035 -4.031 -18.016 1.00 51.12 C ATOM 1543 C ASP A 99 22.953 -5.200 -18.418 1.00 13.03 C ATOM 1544 O ASP A 99 24.181 -5.090 -18.369 1.00 40.32 O ATOM 1545 CB ASP A 99 22.609 -2.704 -18.534 1.00 42.45 C ATOM 1546 CG ASP A 99 22.480 -2.575 -20.044 1.00 2.14 C ATOM 1547 OD1 ASP A 99 23.264 -3.216 -20.772 1.00 64.31 O ATOM 1548 OD2 ASP A 99 21.584 -1.838 -20.510 1.00 14.35 O ATOM 0 H ASP A 99 22.601 -3.514 -16.054 1.00 70.50 H new ATOM 0 HA ASP A 99 21.059 -4.196 -18.472 1.00 51.12 H new ATOM 0 HB2 ASP A 99 22.091 -1.874 -18.054 1.00 42.45 H new ATOM 0 HB3 ASP A 99 23.659 -2.630 -18.253 1.00 42.45 H new ATOM 1553 N THR A 100 22.351 -6.326 -18.802 1.00 4.53 N ATOM 1554 CA THR A 100 23.110 -7.514 -19.222 1.00 73.24 C ATOM 1555 C THR A 100 23.049 -7.717 -20.743 1.00 75.11 C ATOM 1556 O THR A 100 21.975 -7.641 -21.342 1.00 11.43 O ATOM 1557 CB THR A 100 22.580 -8.800 -18.539 1.00 61.33 C ATOM 1558 OG1 THR A 100 21.212 -9.047 -18.923 1.00 62.23 O ATOM 1559 CG2 THR A 100 22.672 -8.691 -17.018 1.00 63.42 C ATOM 0 H THR A 100 21.338 -6.445 -18.832 1.00 4.53 H new ATOM 0 HA THR A 100 24.142 -7.336 -18.918 1.00 73.24 H new ATOM 0 HB THR A 100 23.203 -9.632 -18.868 1.00 61.33 H new ATOM 0 HG1 THR A 100 21.026 -8.600 -19.775 1.00 62.23 H new ATOM 0 HG21 THR A 100 22.294 -9.607 -16.564 1.00 63.42 H new ATOM 0 HG22 THR A 100 23.712 -8.544 -16.726 1.00 63.42 H new ATOM 0 HG23 THR A 100 22.076 -7.844 -16.677 1.00 63.42 H new ATOM 1567 N ASP A 101 24.199 -7.973 -21.366 1.00 31.14 N ATOM 1568 CA ASP A 101 24.251 -8.263 -22.806 1.00 4.34 C ATOM 1569 C ASP A 101 25.259 -9.377 -23.123 1.00 73.33 C ATOM 1570 O ASP A 101 26.131 -9.701 -22.311 1.00 2.15 O ATOM 1571 CB ASP A 101 24.598 -6.997 -23.604 1.00 4.25 C ATOM 1572 CG ASP A 101 25.940 -6.402 -23.212 1.00 15.13 C ATOM 1573 OD1 ASP A 101 26.976 -6.808 -23.780 1.00 61.51 O ATOM 1574 OD2 ASP A 101 25.967 -5.516 -22.334 1.00 52.22 O ATOM 0 H ASP A 101 25.107 -7.986 -20.901 1.00 31.14 H new ATOM 0 HA ASP A 101 23.261 -8.609 -23.103 1.00 4.34 H new ATOM 0 HB2 ASP A 101 24.608 -7.235 -24.668 1.00 4.25 H new ATOM 0 HB3 ASP A 101 23.817 -6.252 -23.452 1.00 4.25 H new ATOM 1579 N LEU A 102 25.126 -9.964 -24.310 1.00 41.42 N ATOM 1580 CA LEU A 102 26.053 -10.999 -24.778 1.00 2.50 C ATOM 1581 C LEU A 102 26.072 -11.098 -26.315 1.00 73.51 C ATOM 1582 O LEU A 102 25.080 -11.464 -26.945 1.00 74.45 O ATOM 1583 CB LEU A 102 25.731 -12.368 -24.127 1.00 24.33 C ATOM 1584 CG LEU A 102 24.242 -12.668 -23.814 1.00 61.44 C ATOM 1585 CD1 LEU A 102 23.421 -12.889 -25.082 1.00 45.32 C ATOM 1586 CD2 LEU A 102 24.125 -13.875 -22.885 1.00 71.02 C ATOM 0 H LEU A 102 24.382 -9.741 -24.971 1.00 41.42 H new ATOM 0 HA LEU A 102 27.055 -10.706 -24.465 1.00 2.50 H new ATOM 0 HB2 LEU A 102 26.103 -13.152 -24.787 1.00 24.33 H new ATOM 0 HB3 LEU A 102 26.294 -12.441 -23.196 1.00 24.33 H new ATOM 0 HG LEU A 102 23.833 -11.791 -23.312 1.00 61.44 H new ATOM 0 HD11 LEU A 102 22.385 -13.096 -24.813 1.00 45.32 H new ATOM 0 HD12 LEU A 102 23.463 -11.994 -25.703 1.00 45.32 H new ATOM 0 HD13 LEU A 102 23.828 -13.735 -25.636 1.00 45.32 H new ATOM 0 HD21 LEU A 102 23.074 -14.072 -22.675 1.00 71.02 H new ATOM 0 HD22 LEU A 102 24.569 -14.747 -23.364 1.00 71.02 H new ATOM 0 HD23 LEU A 102 24.649 -13.668 -21.952 1.00 71.02 H new ATOM 1598 N ILE A 103 27.199 -10.739 -26.921 1.00 4.21 N ATOM 1599 CA ILE A 103 27.381 -10.893 -28.366 1.00 21.44 C ATOM 1600 C ILE A 103 27.968 -12.274 -28.678 1.00 55.13 C ATOM 1601 O ILE A 103 27.543 -12.955 -29.614 1.00 24.53 O ATOM 1602 CB ILE A 103 28.306 -9.790 -28.942 1.00 72.15 C ATOM 1603 CG1 ILE A 103 27.729 -8.392 -28.646 1.00 55.13 C ATOM 1604 CG2 ILE A 103 28.508 -9.980 -30.447 1.00 42.30 C ATOM 1605 CD1 ILE A 103 26.351 -8.156 -29.236 1.00 61.21 C ATOM 0 H ILE A 103 28.002 -10.339 -26.436 1.00 4.21 H new ATOM 0 HA ILE A 103 26.403 -10.796 -28.837 1.00 21.44 H new ATOM 0 HB ILE A 103 29.278 -9.873 -28.456 1.00 72.15 H new ATOM 0 HG12 ILE A 103 27.680 -8.252 -27.566 1.00 55.13 H new ATOM 0 HG13 ILE A 103 28.413 -7.638 -29.034 1.00 55.13 H new ATOM 0 HG21 ILE A 103 29.160 -9.194 -30.829 1.00 42.30 H new ATOM 0 HG22 ILE A 103 28.964 -10.952 -30.633 1.00 42.30 H new ATOM 0 HG23 ILE A 103 27.544 -9.929 -30.953 1.00 42.30 H new ATOM 0 HD11 ILE A 103 26.015 -7.150 -28.984 1.00 61.21 H new ATOM 0 HD12 ILE A 103 26.396 -8.262 -30.320 1.00 61.21 H new ATOM 0 HD13 ILE A 103 25.651 -8.886 -28.829 1.00 61.21 H new ATOM 1617 N VAL A 104 28.948 -12.680 -27.875 1.00 73.52 N ATOM 1618 CA VAL A 104 29.561 -14.007 -27.988 1.00 15.33 C ATOM 1619 C VAL A 104 29.354 -14.827 -26.698 1.00 71.33 C ATOM 1620 O VAL A 104 29.955 -14.540 -25.659 1.00 63.42 O ATOM 1621 CB VAL A 104 31.078 -13.907 -28.318 1.00 24.24 C ATOM 1622 CG1 VAL A 104 31.287 -13.395 -29.743 1.00 5.30 C ATOM 1623 CG2 VAL A 104 31.804 -13.003 -27.319 1.00 2.21 C ATOM 0 H VAL A 104 29.340 -12.104 -27.130 1.00 73.52 H new ATOM 0 HA VAL A 104 29.065 -14.521 -28.811 1.00 15.33 H new ATOM 0 HB VAL A 104 31.501 -14.908 -28.240 1.00 24.24 H new ATOM 0 HG11 VAL A 104 32.355 -13.332 -29.954 1.00 5.30 H new ATOM 0 HG12 VAL A 104 30.817 -14.080 -30.448 1.00 5.30 H new ATOM 0 HG13 VAL A 104 30.838 -12.407 -29.844 1.00 5.30 H new ATOM 0 HG21 VAL A 104 32.862 -12.953 -27.576 1.00 2.21 H new ATOM 0 HG22 VAL A 104 31.374 -12.002 -27.355 1.00 2.21 H new ATOM 0 HG23 VAL A 104 31.693 -13.409 -26.314 1.00 2.21 H new ATOM 1633 N PRO A 105 28.469 -15.850 -26.731 1.00 11.21 N ATOM 1634 CA PRO A 105 28.194 -16.698 -25.556 1.00 1.41 C ATOM 1635 C PRO A 105 29.414 -17.534 -25.130 1.00 24.55 C ATOM 1636 O PRO A 105 29.876 -18.408 -25.870 1.00 74.22 O ATOM 1637 CB PRO A 105 27.037 -17.599 -26.029 1.00 22.12 C ATOM 1638 CG PRO A 105 27.136 -17.607 -27.518 1.00 22.20 C ATOM 1639 CD PRO A 105 27.667 -16.250 -27.904 1.00 74.42 C ATOM 0 HA PRO A 105 27.950 -16.107 -24.673 1.00 1.41 H new ATOM 0 HB2 PRO A 105 27.130 -18.606 -25.622 1.00 22.12 H new ATOM 0 HB3 PRO A 105 26.074 -17.209 -25.700 1.00 22.12 H new ATOM 0 HG2 PRO A 105 27.802 -18.399 -27.861 1.00 22.20 H new ATOM 0 HG3 PRO A 105 26.163 -17.790 -27.973 1.00 22.20 H new ATOM 0 HD2 PRO A 105 28.274 -16.298 -28.808 1.00 74.42 H new ATOM 0 HD3 PRO A 105 26.860 -15.543 -28.099 1.00 74.42 H new ATOM 1647 N ASN A 106 29.931 -17.266 -23.931 1.00 61.45 N ATOM 1648 CA ASN A 106 31.149 -17.920 -23.443 1.00 22.01 C ATOM 1649 C ASN A 106 30.929 -18.583 -22.068 1.00 24.11 C ATOM 1650 O ASN A 106 29.998 -18.232 -21.339 1.00 54.01 O ATOM 1651 CB ASN A 106 32.282 -16.889 -23.355 1.00 74.33 C ATOM 1652 CG ASN A 106 33.637 -17.525 -23.115 1.00 10.42 C ATOM 1653 OD1 ASN A 106 33.882 -18.667 -23.735 1.00 4.52 O flip ATOM 1654 ND2 ASN A 106 34.473 -16.982 -22.403 1.00 33.42 N flip ATOM 0 H ASN A 106 29.525 -16.598 -23.276 1.00 61.45 H new ATOM 0 HA ASN A 106 31.418 -18.707 -24.148 1.00 22.01 H new ATOM 0 HB2 ASN A 106 32.315 -16.312 -24.279 1.00 74.33 H new ATOM 0 HB3 ASN A 106 32.067 -16.187 -22.549 1.00 74.33 H new ATOM 0 HD21 ASN A 106 34.253 -16.101 -21.939 1.00 33.42 H new ATOM 0 HD22 ASN A 106 35.390 -17.411 -22.275 1.00 33.42 H new ATOM 1661 N LEU A 107 31.794 -19.536 -21.711 1.00 53.13 N ATOM 1662 CA LEU A 107 31.692 -20.236 -20.420 1.00 63.34 C ATOM 1663 C LEU A 107 32.012 -19.305 -19.242 1.00 75.22 C ATOM 1664 O LEU A 107 32.669 -18.276 -19.410 1.00 3.33 O ATOM 1665 CB LEU A 107 32.644 -21.439 -20.383 1.00 22.43 C ATOM 1666 CG LEU A 107 32.367 -22.538 -21.418 1.00 54.53 C ATOM 1667 CD1 LEU A 107 33.363 -23.685 -21.265 1.00 14.41 C ATOM 1668 CD2 LEU A 107 30.928 -23.045 -21.292 1.00 43.05 C ATOM 0 H LEU A 107 32.573 -19.843 -22.294 1.00 53.13 H new ATOM 0 HA LEU A 107 30.662 -20.578 -20.322 1.00 63.34 H new ATOM 0 HB2 LEU A 107 33.662 -21.078 -20.527 1.00 22.43 H new ATOM 0 HB3 LEU A 107 32.601 -21.883 -19.388 1.00 22.43 H new ATOM 0 HG LEU A 107 32.491 -22.112 -22.414 1.00 54.53 H new ATOM 0 HD11 LEU A 107 33.150 -24.454 -22.008 1.00 14.41 H new ATOM 0 HD12 LEU A 107 34.376 -23.310 -21.412 1.00 14.41 H new ATOM 0 HD13 LEU A 107 33.276 -24.112 -20.266 1.00 14.41 H new ATOM 0 HD21 LEU A 107 30.750 -23.824 -22.034 1.00 43.05 H new ATOM 0 HD22 LEU A 107 30.772 -23.453 -20.293 1.00 43.05 H new ATOM 0 HD23 LEU A 107 30.236 -22.220 -21.459 1.00 43.05 H new ATOM 1680 N GLU A 108 31.564 -19.686 -18.046 1.00 42.33 N ATOM 1681 CA GLU A 108 31.830 -18.900 -16.836 1.00 13.14 C ATOM 1682 C GLU A 108 33.347 -18.859 -16.567 1.00 22.52 C ATOM 1683 O GLU A 108 34.009 -19.895 -16.488 1.00 54.34 O ATOM 1684 CB GLU A 108 31.065 -19.497 -15.638 1.00 63.41 C ATOM 1685 CG GLU A 108 30.736 -18.501 -14.522 1.00 12.04 C ATOM 1686 CD GLU A 108 31.958 -18.009 -13.761 1.00 65.22 C ATOM 1687 OE1 GLU A 108 32.464 -18.751 -12.897 1.00 45.35 O ATOM 1688 OE2 GLU A 108 32.422 -16.882 -14.030 1.00 31.21 O ATOM 0 H GLU A 108 31.016 -20.532 -17.887 1.00 42.33 H new ATOM 0 HA GLU A 108 31.480 -17.878 -16.981 1.00 13.14 H new ATOM 0 HB2 GLU A 108 30.135 -19.934 -16.001 1.00 63.41 H new ATOM 0 HB3 GLU A 108 31.656 -20.310 -15.217 1.00 63.41 H new ATOM 0 HG2 GLU A 108 30.218 -17.644 -14.953 1.00 12.04 H new ATOM 0 HG3 GLU A 108 30.047 -18.970 -13.820 1.00 12.04 H new ATOM 1695 N HIS A 109 33.880 -17.653 -16.402 1.00 62.45 N ATOM 1696 CA HIS A 109 35.330 -17.429 -16.388 1.00 4.20 C ATOM 1697 C HIS A 109 36.001 -17.791 -15.048 1.00 30.14 C ATOM 1698 O HIS A 109 37.048 -17.243 -14.712 1.00 73.15 O ATOM 1699 CB HIS A 109 35.619 -15.968 -16.756 1.00 52.53 C ATOM 1700 CG HIS A 109 35.156 -15.613 -18.138 1.00 13.14 C ATOM 1701 ND1 HIS A 109 33.989 -14.925 -18.398 1.00 74.22 N ATOM 1702 CD2 HIS A 109 35.709 -15.873 -19.347 1.00 71.20 C ATOM 1703 CE1 HIS A 109 33.845 -14.782 -19.699 1.00 13.42 C ATOM 1704 NE2 HIS A 109 34.872 -15.347 -20.299 1.00 22.22 N ATOM 0 H HIS A 109 33.327 -16.805 -16.275 1.00 62.45 H new ATOM 0 HA HIS A 109 35.765 -18.102 -17.127 1.00 4.20 H new ATOM 0 HB2 HIS A 109 35.130 -15.313 -16.035 1.00 52.53 H new ATOM 0 HB3 HIS A 109 36.691 -15.784 -16.678 1.00 52.53 H new ATOM 0 HD1 HIS A 109 33.338 -14.580 -17.692 1.00 74.22 H new ATOM 0 HD2 HIS A 109 36.636 -16.397 -19.528 1.00 71.20 H new ATOM 0 HE1 HIS A 109 33.022 -14.285 -20.191 1.00 13.42 H new ATOM 1713 N HIS A 110 35.421 -18.728 -14.298 1.00 73.14 N ATOM 1714 CA HIS A 110 36.079 -19.267 -13.095 1.00 4.50 C ATOM 1715 C HIS A 110 37.451 -19.884 -13.436 1.00 72.10 C ATOM 1716 O HIS A 110 38.358 -19.913 -12.605 1.00 25.22 O ATOM 1717 CB HIS A 110 35.187 -20.314 -12.412 1.00 25.42 C ATOM 1718 CG HIS A 110 34.738 -21.419 -13.322 1.00 65.34 C ATOM 1719 ND1 HIS A 110 35.557 -22.457 -13.707 1.00 44.43 N ATOM 1720 CD2 HIS A 110 33.549 -21.639 -13.931 1.00 2.23 C ATOM 1721 CE1 HIS A 110 34.895 -23.266 -14.512 1.00 44.04 C ATOM 1722 NE2 HIS A 110 33.678 -22.792 -14.662 1.00 34.34 N ATOM 0 H HIS A 110 34.505 -19.131 -14.495 1.00 73.14 H new ATOM 0 HA HIS A 110 36.239 -18.437 -12.407 1.00 4.50 H new ATOM 0 HB2 HIS A 110 35.730 -20.747 -11.572 1.00 25.42 H new ATOM 0 HB3 HIS A 110 34.309 -19.816 -12.001 1.00 25.42 H new ATOM 0 HD2 HIS A 110 32.665 -21.023 -13.855 1.00 2.23 H new ATOM 0 HE1 HIS A 110 35.286 -24.163 -14.969 1.00 44.04 H new ATOM 0 HE2 HIS A 110 32.946 -23.215 -15.232 1.00 34.34 H new ATOM 1731 N HIS A 111 37.588 -20.379 -14.667 1.00 74.42 N ATOM 1732 CA HIS A 111 38.854 -20.942 -15.149 1.00 22.13 C ATOM 1733 C HIS A 111 39.735 -19.861 -15.797 1.00 61.15 C ATOM 1734 O HIS A 111 39.325 -19.205 -16.754 1.00 44.15 O ATOM 1735 CB HIS A 111 38.584 -22.066 -16.162 1.00 52.14 C ATOM 1736 CG HIS A 111 39.826 -22.631 -16.791 1.00 72.30 C ATOM 1737 ND1 HIS A 111 40.428 -22.075 -17.901 1.00 52.04 N ATOM 1738 CD2 HIS A 111 40.587 -23.702 -16.456 1.00 32.11 C ATOM 1739 CE1 HIS A 111 41.495 -22.778 -18.223 1.00 13.25 C ATOM 1740 NE2 HIS A 111 41.617 -23.768 -17.363 1.00 62.22 N ATOM 0 H HIS A 111 36.834 -20.402 -15.353 1.00 74.42 H new ATOM 0 HA HIS A 111 39.387 -21.348 -14.289 1.00 22.13 H new ATOM 0 HB2 HIS A 111 38.044 -22.870 -15.662 1.00 52.14 H new ATOM 0 HB3 HIS A 111 37.932 -21.684 -16.948 1.00 52.14 H new ATOM 0 HD2 HIS A 111 40.416 -24.377 -15.631 1.00 32.11 H new ATOM 0 HE1 HIS A 111 42.157 -22.576 -19.052 1.00 13.25 H new ATOM 0 HE2 HIS A 111 42.357 -24.470 -17.369 1.00 62.22 H new ATOM 1749 N HIS A 112 40.942 -19.682 -15.271 1.00 4.14 N ATOM 1750 CA HIS A 112 41.906 -18.731 -15.838 1.00 43.45 C ATOM 1751 C HIS A 112 43.243 -19.421 -16.156 1.00 35.23 C ATOM 1752 O HIS A 112 43.653 -20.352 -15.464 1.00 33.13 O ATOM 1753 CB HIS A 112 42.149 -17.564 -14.873 1.00 43.31 C ATOM 1754 CG HIS A 112 40.922 -16.766 -14.552 1.00 74.40 C ATOM 1755 ND1 HIS A 112 40.521 -15.680 -15.294 1.00 24.51 N ATOM 1756 CD2 HIS A 112 40.010 -16.892 -13.557 1.00 33.00 C ATOM 1757 CE1 HIS A 112 39.425 -15.171 -14.775 1.00 12.41 C ATOM 1758 NE2 HIS A 112 39.089 -15.885 -13.720 1.00 74.13 N ATOM 0 H HIS A 112 41.282 -20.183 -14.450 1.00 4.14 H new ATOM 0 HA HIS A 112 41.480 -18.346 -16.765 1.00 43.45 H new ATOM 0 HB2 HIS A 112 42.567 -17.955 -13.946 1.00 43.31 H new ATOM 0 HB3 HIS A 112 42.898 -16.900 -15.305 1.00 43.31 H new ATOM 0 HD2 HIS A 112 40.008 -17.643 -12.781 1.00 33.00 H new ATOM 0 HE1 HIS A 112 38.890 -14.311 -15.151 1.00 12.41 H new ATOM 0 HE2 HIS A 112 38.279 -15.718 -13.123 1.00 74.13 H new ATOM 1767 N HIS A 113 43.913 -18.958 -17.204 1.00 35.21 N ATOM 1768 CA HIS A 113 45.236 -19.477 -17.580 1.00 34.44 C ATOM 1769 C HIS A 113 46.320 -18.409 -17.339 1.00 65.32 C ATOM 1770 O HIS A 113 47.422 -18.472 -17.890 1.00 34.53 O ATOM 1771 CB HIS A 113 45.215 -19.918 -19.054 1.00 73.35 C ATOM 1772 CG HIS A 113 46.427 -20.690 -19.484 1.00 34.24 C ATOM 1773 ND1 HIS A 113 47.235 -20.305 -20.532 1.00 53.31 N ATOM 1774 CD2 HIS A 113 46.959 -21.845 -19.012 1.00 23.51 C ATOM 1775 CE1 HIS A 113 48.206 -21.181 -20.686 1.00 50.40 C ATOM 1776 NE2 HIS A 113 48.064 -22.125 -19.778 1.00 53.31 N ATOM 0 H HIS A 113 43.565 -18.220 -17.816 1.00 35.21 H new ATOM 0 HA HIS A 113 45.475 -20.341 -16.959 1.00 34.44 H new ATOM 0 HB2 HIS A 113 44.329 -20.530 -19.226 1.00 73.35 H new ATOM 0 HB3 HIS A 113 45.119 -19.034 -19.684 1.00 73.35 H new ATOM 0 HD2 HIS A 113 46.584 -22.434 -18.188 1.00 23.51 H new ATOM 0 HE1 HIS A 113 48.987 -21.134 -21.431 1.00 50.40 H new ATOM 0 HE2 HIS A 113 48.676 -22.933 -19.663 1.00 53.31 H new ATOM 1785 N HIS A 114 45.991 -17.434 -16.494 1.00 33.23 N ATOM 1786 CA HIS A 114 46.903 -16.336 -16.155 1.00 43.34 C ATOM 1787 C HIS A 114 47.740 -16.673 -14.898 1.00 72.31 C ATOM 1788 O HIS A 114 48.796 -17.335 -15.037 1.00 38.40 O ATOM 1789 CB HIS A 114 46.081 -15.056 -15.931 1.00 44.11 C ATOM 1790 CG HIS A 114 46.902 -13.826 -15.699 1.00 63.15 C ATOM 1791 ND1 HIS A 114 47.503 -13.536 -14.496 1.00 43.04 N ATOM 1792 CD2 HIS A 114 47.217 -12.803 -16.525 1.00 2.34 C ATOM 1793 CE1 HIS A 114 48.146 -12.392 -14.590 1.00 61.21 C ATOM 1794 NE2 HIS A 114 47.990 -11.928 -15.809 1.00 70.03 N ATOM 1795 OXT HIS A 114 47.334 -16.292 -13.778 1.00 38.40 O ATOM 0 H HIS A 114 45.087 -17.380 -16.024 1.00 33.23 H new ATOM 0 HA HIS A 114 47.600 -16.184 -16.979 1.00 43.34 H new ATOM 0 HB2 HIS A 114 45.442 -14.893 -16.799 1.00 44.11 H new ATOM 0 HB3 HIS A 114 45.424 -15.206 -15.075 1.00 44.11 H new ATOM 0 HD1 HIS A 114 47.457 -14.118 -13.660 1.00 43.04 H new ATOM 0 HD2 HIS A 114 46.915 -12.696 -17.557 1.00 2.34 H new ATOM 0 HE1 HIS A 114 48.707 -11.915 -13.799 1.00 61.21 H new TER 1804 HIS A 114