USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 796 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 67 THR OG1 : rot 107:sc= 0.91 USER MOD Set 1.2: A 72 TYR OH : rot 110:sc= 0.619 USER MOD Set 2.1: A 34 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 35 SER OG : rot -79:sc= -0.118 USER MOD Set 2.3: A 55 ASN :FLIP amide:sc= -0.127 F(o=-2.1,f=-0.25) USER MOD Set 3.1: A 19 THR OG1 : rot 180:sc= -0.694 USER MOD Set 3.2: A 62 THR OG1 : rot -97:sc= 0.372 USER MOD Set 4.1: A 14 THR OG1 : rot 73:sc= 0.636 USER MOD Set 4.2: A 17 THR OG1 : rot 180:sc= -0.404 USER MOD Single : A 0 SER N :NH3+ -115:sc= 0.691 (180deg=0) USER MOD Single : A 0 SER OG : rot 180:sc= 0.243 USER MOD Single : A 7 LYS NZ :NH3+ -107:sc= -1.72! (180deg=-2.86!) USER MOD Single : A 12 ASN :FLIP amide:sc=-0.00759 F(o=-0.72,f=-0.0076) USER MOD Single : A 16 HIS : no HD1:sc= -0.377 X(o=-0.38,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc=-0.00222 (180deg=-0.00222) USER MOD Single : A 24 LYS NZ :NH3+ -166:sc= 0.136 (180deg=0.0851) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 170:sc= -1.67 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= -1.61 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc=-0.00434 X(o=-0.0043,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.429 K(o=-0.43,f=-6.5!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN :FLIP amide:sc= -0.869! F(o=-1.7,f=-0.87!) USER MOD Single : A 64 SER OG : rot 180:sc= 0.022 USER MOD Single : A 79 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.126) USER MOD Single : A 80 ASN : amide:sc= -5.98! C(o=-6!,f=-16!) USER MOD Single : A 86 SER OG : rot -106:sc= 0.446 USER MOD Single : A 89 SER OG : rot -110:sc= -2.09! USER MOD Single : A 92 SER OG : rot -76:sc= -2.56 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.0344 USER MOD Single : A 97 CYS SG : rot -75:sc= -1.62 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 0 -23.142 -5.995 -4.349 1.00 2.05 N ATOM 2 CA SER A 0 -22.950 -4.766 -5.161 1.00 1.55 C ATOM 3 C SER A 0 -21.547 -4.716 -5.761 1.00 1.39 C ATOM 4 O SER A 0 -20.711 -5.574 -5.479 1.00 1.50 O ATOM 5 CB SER A 0 -23.191 -3.547 -4.268 1.00 2.08 C ATOM 6 OG SER A 0 -23.721 -3.931 -3.009 1.00 2.74 O ATOM 0 H1 SER A 0 -23.867 -6.594 -4.793 1.00 2.05 H new ATOM 0 H2 SER A 0 -22.245 -6.519 -4.295 1.00 2.05 H new ATOM 0 H3 SER A 0 -23.448 -5.733 -3.390 1.00 2.05 H new ATOM 0 HA SER A 0 -23.660 -4.768 -5.988 1.00 1.55 H new ATOM 0 HB2 SER A 0 -22.255 -3.008 -4.123 1.00 2.08 H new ATOM 0 HB3 SER A 0 -23.880 -2.861 -4.762 1.00 2.08 H new ATOM 0 HG SER A 0 -23.864 -3.134 -2.457 1.00 2.74 H new ATOM 12 N PRO A 1 -21.271 -3.707 -6.606 1.00 1.23 N ATOM 13 CA PRO A 1 -19.980 -3.544 -7.252 1.00 1.19 C ATOM 14 C PRO A 1 -19.041 -2.638 -6.462 1.00 1.24 C ATOM 15 O PRO A 1 -19.143 -1.413 -6.531 1.00 2.06 O ATOM 16 CB PRO A 1 -20.354 -2.897 -8.584 1.00 1.18 C ATOM 17 CG PRO A 1 -21.651 -2.180 -8.341 1.00 1.26 C ATOM 18 CD PRO A 1 -22.196 -2.643 -7.009 1.00 1.24 C ATOM 0 HA PRO A 1 -19.441 -4.487 -7.346 1.00 1.19 H new ATOM 0 HB2 PRO A 1 -19.580 -2.204 -8.913 1.00 1.18 H new ATOM 0 HB3 PRO A 1 -20.463 -3.648 -9.366 1.00 1.18 H new ATOM 0 HG2 PRO A 1 -21.495 -1.101 -8.335 1.00 1.26 H new ATOM 0 HG3 PRO A 1 -22.361 -2.395 -9.139 1.00 1.26 H new ATOM 0 HD2 PRO A 1 -22.216 -1.832 -6.281 1.00 1.24 H new ATOM 0 HD3 PRO A 1 -23.217 -3.014 -7.101 1.00 1.24 H new ATOM 26 N ILE A 2 -18.128 -3.248 -5.716 1.00 0.68 N ATOM 27 CA ILE A 2 -17.170 -2.495 -4.919 1.00 0.61 C ATOM 28 C ILE A 2 -15.875 -2.268 -5.690 1.00 0.57 C ATOM 29 O ILE A 2 -15.276 -3.210 -6.210 1.00 0.63 O ATOM 30 CB ILE A 2 -16.846 -3.211 -3.596 1.00 0.62 C ATOM 31 CG1 ILE A 2 -15.912 -2.342 -2.741 1.00 0.60 C ATOM 32 CG2 ILE A 2 -16.225 -4.575 -3.874 1.00 0.66 C ATOM 33 CD1 ILE A 2 -15.254 -3.082 -1.593 1.00 0.56 C ATOM 0 H ILE A 2 -18.032 -4.261 -5.647 1.00 0.68 H new ATOM 0 HA ILE A 2 -17.634 -1.534 -4.696 1.00 0.61 H new ATOM 0 HB ILE A 2 -17.770 -3.367 -3.039 1.00 0.62 H new ATOM 0 HG12 ILE A 2 -15.136 -1.924 -3.382 1.00 0.60 H new ATOM 0 HG13 ILE A 2 -16.481 -1.503 -2.340 1.00 0.60 H new ATOM 0 HG21 ILE A 2 -16.000 -5.072 -2.930 1.00 0.66 H new ATOM 0 HG22 ILE A 2 -16.925 -5.184 -4.447 1.00 0.66 H new ATOM 0 HG23 ILE A 2 -15.305 -4.447 -4.444 1.00 0.66 H new ATOM 0 HD11 ILE A 2 -14.611 -2.397 -1.040 1.00 0.56 H new ATOM 0 HD12 ILE A 2 -16.021 -3.477 -0.927 1.00 0.56 H new ATOM 0 HD13 ILE A 2 -14.656 -3.904 -1.985 1.00 0.56 H new ATOM 45 N ASP A 3 -15.450 -1.012 -5.759 1.00 0.55 N ATOM 46 CA ASP A 3 -14.228 -0.655 -6.465 1.00 0.54 C ATOM 47 C ASP A 3 -13.124 -0.284 -5.476 1.00 0.47 C ATOM 48 O ASP A 3 -13.298 0.616 -4.655 1.00 0.49 O ATOM 49 CB ASP A 3 -14.487 0.520 -7.408 1.00 0.61 C ATOM 50 CG ASP A 3 -15.128 0.086 -8.710 1.00 1.15 C ATOM 51 OD1 ASP A 3 -15.298 -1.135 -8.910 1.00 2.00 O ATOM 52 OD2 ASP A 3 -15.461 0.966 -9.531 1.00 1.64 O ATOM 0 H ASP A 3 -15.936 -0.223 -5.333 1.00 0.55 H new ATOM 0 HA ASP A 3 -13.905 -1.519 -7.046 1.00 0.54 H new ATOM 0 HB2 ASP A 3 -15.133 1.245 -6.912 1.00 0.61 H new ATOM 0 HB3 ASP A 3 -13.545 1.026 -7.621 1.00 0.61 H new ATOM 57 N PRO A 4 -11.969 -0.968 -5.536 1.00 0.44 N ATOM 58 CA PRO A 4 -10.848 -0.690 -4.634 1.00 0.41 C ATOM 59 C PRO A 4 -10.220 0.679 -4.895 1.00 0.38 C ATOM 60 O PRO A 4 -10.574 1.361 -5.857 1.00 0.43 O ATOM 61 CB PRO A 4 -9.855 -1.812 -4.944 1.00 0.45 C ATOM 62 CG PRO A 4 -10.176 -2.221 -6.339 1.00 0.50 C ATOM 63 CD PRO A 4 -11.662 -2.059 -6.480 1.00 0.50 C ATOM 0 HA PRO A 4 -11.159 -0.661 -3.590 1.00 0.41 H new ATOM 0 HB2 PRO A 4 -8.825 -1.465 -4.859 1.00 0.45 H new ATOM 0 HB3 PRO A 4 -9.969 -2.645 -4.250 1.00 0.45 H new ATOM 0 HG2 PRO A 4 -9.645 -1.601 -7.061 1.00 0.50 H new ATOM 0 HG3 PRO A 4 -9.876 -3.252 -6.523 1.00 0.50 H new ATOM 0 HD2 PRO A 4 -11.945 -1.801 -7.501 1.00 0.50 H new ATOM 0 HD3 PRO A 4 -12.194 -2.975 -6.224 1.00 0.50 H new ATOM 71 N PRO A 5 -9.282 1.102 -4.031 1.00 0.37 N ATOM 72 CA PRO A 5 -8.605 2.400 -4.162 1.00 0.39 C ATOM 73 C PRO A 5 -7.817 2.524 -5.463 1.00 0.38 C ATOM 74 O PRO A 5 -7.655 1.552 -6.200 1.00 0.47 O ATOM 75 CB PRO A 5 -7.653 2.435 -2.961 1.00 0.46 C ATOM 76 CG PRO A 5 -7.497 1.011 -2.551 1.00 0.71 C ATOM 77 CD PRO A 5 -8.809 0.354 -2.855 1.00 0.43 C ATOM 0 HA PRO A 5 -9.320 3.223 -4.183 1.00 0.39 H new ATOM 0 HB2 PRO A 5 -6.693 2.875 -3.231 1.00 0.46 H new ATOM 0 HB3 PRO A 5 -8.063 3.037 -2.150 1.00 0.46 H new ATOM 0 HG2 PRO A 5 -6.684 0.533 -3.098 1.00 0.71 H new ATOM 0 HG3 PRO A 5 -7.257 0.933 -1.491 1.00 0.71 H new ATOM 0 HD2 PRO A 5 -8.689 -0.708 -3.072 1.00 0.43 H new ATOM 0 HD3 PRO A 5 -9.504 0.432 -2.019 1.00 0.43 H new ATOM 85 N GLY A 6 -7.330 3.732 -5.736 1.00 0.37 N ATOM 86 CA GLY A 6 -6.563 3.972 -6.945 1.00 0.39 C ATOM 87 C GLY A 6 -5.179 3.353 -6.892 1.00 0.42 C ATOM 88 O GLY A 6 -4.823 2.693 -5.916 1.00 0.66 O ATOM 0 H GLY A 6 -7.454 4.550 -5.139 1.00 0.37 H new ATOM 0 HA2 GLY A 6 -7.105 3.568 -7.800 1.00 0.39 H new ATOM 0 HA3 GLY A 6 -6.470 5.046 -7.105 1.00 0.39 H new ATOM 92 N LYS A 7 -4.396 3.570 -7.944 1.00 0.41 N ATOM 93 CA LYS A 7 -3.045 3.037 -8.015 1.00 0.44 C ATOM 94 C LYS A 7 -2.147 3.732 -6.990 1.00 0.37 C ATOM 95 O LYS A 7 -1.949 4.945 -7.057 1.00 0.42 O ATOM 96 CB LYS A 7 -2.492 3.227 -9.431 1.00 0.54 C ATOM 97 CG LYS A 7 -0.987 3.047 -9.548 1.00 0.64 C ATOM 98 CD LYS A 7 -0.507 1.791 -8.836 1.00 1.01 C ATOM 99 CE LYS A 7 0.496 1.020 -9.681 1.00 0.95 C ATOM 100 NZ LYS A 7 1.194 -0.036 -8.895 1.00 1.52 N ATOM 0 H LYS A 7 -4.677 4.113 -8.760 1.00 0.41 H new ATOM 0 HA LYS A 7 -3.066 1.972 -7.784 1.00 0.44 H new ATOM 0 HB2 LYS A 7 -2.983 2.518 -10.098 1.00 0.54 H new ATOM 0 HB3 LYS A 7 -2.754 4.226 -9.779 1.00 0.54 H new ATOM 0 HG2 LYS A 7 -0.709 2.996 -10.601 1.00 0.64 H new ATOM 0 HG3 LYS A 7 -0.484 3.917 -9.127 1.00 0.64 H new ATOM 0 HD2 LYS A 7 -0.050 2.063 -7.885 1.00 1.01 H new ATOM 0 HD3 LYS A 7 -1.360 1.152 -8.609 1.00 1.01 H new ATOM 0 HE2 LYS A 7 -0.018 0.562 -10.526 1.00 0.95 H new ATOM 0 HE3 LYS A 7 1.231 1.712 -10.092 1.00 0.95 H new ATOM 0 HZ1 LYS A 7 2.175 0.258 -8.712 1.00 1.52 H new ATOM 0 HZ2 LYS A 7 0.701 -0.178 -7.990 1.00 1.52 H new ATOM 0 HZ3 LYS A 7 1.194 -0.926 -9.433 1.00 1.52 H new ATOM 114 N PRO A 8 -1.586 2.979 -6.026 1.00 0.34 N ATOM 115 CA PRO A 8 -0.706 3.547 -4.996 1.00 0.32 C ATOM 116 C PRO A 8 0.610 4.046 -5.589 1.00 0.33 C ATOM 117 O PRO A 8 1.338 3.288 -6.229 1.00 0.44 O ATOM 118 CB PRO A 8 -0.464 2.368 -4.037 1.00 0.39 C ATOM 119 CG PRO A 8 -1.521 1.369 -4.378 1.00 0.44 C ATOM 120 CD PRO A 8 -1.747 1.527 -5.852 1.00 0.41 C ATOM 0 HA PRO A 8 -1.147 4.415 -4.506 1.00 0.32 H new ATOM 0 HB2 PRO A 8 0.533 1.949 -4.171 1.00 0.39 H new ATOM 0 HB3 PRO A 8 -0.540 2.684 -2.996 1.00 0.39 H new ATOM 0 HG2 PRO A 8 -1.199 0.356 -4.135 1.00 0.44 H new ATOM 0 HG3 PRO A 8 -2.436 1.556 -3.817 1.00 0.44 H new ATOM 0 HD2 PRO A 8 -1.024 0.962 -6.440 1.00 0.41 H new ATOM 0 HD3 PRO A 8 -2.738 1.186 -6.153 1.00 0.41 H new ATOM 128 N VAL A 9 0.909 5.326 -5.379 1.00 0.34 N ATOM 129 CA VAL A 9 2.137 5.920 -5.903 1.00 0.38 C ATOM 130 C VAL A 9 2.972 6.545 -4.786 1.00 0.34 C ATOM 131 O VAL A 9 2.564 7.535 -4.182 1.00 0.35 O ATOM 132 CB VAL A 9 1.844 7.008 -6.955 1.00 0.43 C ATOM 133 CG1 VAL A 9 3.029 7.162 -7.897 1.00 0.53 C ATOM 134 CG2 VAL A 9 0.573 6.697 -7.729 1.00 1.09 C ATOM 0 H VAL A 9 0.320 5.970 -4.851 1.00 0.34 H new ATOM 0 HA VAL A 9 2.693 5.107 -6.370 1.00 0.38 H new ATOM 0 HB VAL A 9 1.689 7.953 -6.434 1.00 0.43 H new ATOM 0 HG11 VAL A 9 2.809 7.933 -8.635 1.00 0.53 H new ATOM 0 HG12 VAL A 9 3.913 7.447 -7.326 1.00 0.53 H new ATOM 0 HG13 VAL A 9 3.215 6.216 -8.405 1.00 0.53 H new ATOM 0 HG21 VAL A 9 0.393 7.482 -8.463 1.00 1.09 H new ATOM 0 HG22 VAL A 9 0.683 5.741 -8.240 1.00 1.09 H new ATOM 0 HG23 VAL A 9 -0.269 6.645 -7.039 1.00 1.09 H new ATOM 144 N PRO A 10 4.154 5.976 -4.490 1.00 0.34 N ATOM 145 CA PRO A 10 5.031 6.486 -3.436 1.00 0.32 C ATOM 146 C PRO A 10 5.518 7.907 -3.686 1.00 0.37 C ATOM 147 O PRO A 10 6.186 8.182 -4.683 1.00 0.64 O ATOM 148 CB PRO A 10 6.217 5.524 -3.432 1.00 0.38 C ATOM 149 CG PRO A 10 5.745 4.313 -4.161 1.00 0.39 C ATOM 150 CD PRO A 10 4.720 4.790 -5.146 1.00 0.42 C ATOM 0 HA PRO A 10 4.496 6.535 -2.487 1.00 0.32 H new ATOM 0 HB2 PRO A 10 7.083 5.966 -3.924 1.00 0.38 H new ATOM 0 HB3 PRO A 10 6.520 5.277 -2.414 1.00 0.38 H new ATOM 0 HG2 PRO A 10 6.572 3.818 -4.669 1.00 0.39 H new ATOM 0 HG3 PRO A 10 5.314 3.587 -3.472 1.00 0.39 H new ATOM 0 HD2 PRO A 10 5.170 5.037 -6.108 1.00 0.42 H new ATOM 0 HD3 PRO A 10 3.959 4.032 -5.335 1.00 0.42 H new ATOM 158 N LEU A 11 5.193 8.805 -2.761 1.00 0.34 N ATOM 159 CA LEU A 11 5.612 10.197 -2.864 1.00 0.43 C ATOM 160 C LEU A 11 7.017 10.352 -2.300 1.00 0.43 C ATOM 161 O LEU A 11 7.798 11.188 -2.753 1.00 0.57 O ATOM 162 CB LEU A 11 4.650 11.105 -2.099 1.00 0.56 C ATOM 163 CG LEU A 11 3.176 10.698 -2.168 1.00 0.92 C ATOM 164 CD1 LEU A 11 2.592 10.576 -0.769 1.00 1.12 C ATOM 165 CD2 LEU A 11 2.385 11.699 -2.997 1.00 1.64 C ATOM 0 H LEU A 11 4.640 8.592 -1.931 1.00 0.34 H new ATOM 0 HA LEU A 11 5.605 10.486 -3.915 1.00 0.43 H new ATOM 0 HB2 LEU A 11 4.955 11.131 -1.053 1.00 0.56 H new ATOM 0 HB3 LEU A 11 4.749 12.120 -2.485 1.00 0.56 H new ATOM 0 HG LEU A 11 3.108 9.724 -2.653 1.00 0.92 H new ATOM 0 HD11 LEU A 11 1.543 10.286 -0.836 1.00 1.12 H new ATOM 0 HD12 LEU A 11 3.142 9.820 -0.210 1.00 1.12 H new ATOM 0 HD13 LEU A 11 2.671 11.535 -0.257 1.00 1.12 H new ATOM 0 HD21 LEU A 11 1.339 11.394 -3.035 1.00 1.64 H new ATOM 0 HD22 LEU A 11 2.458 12.687 -2.542 1.00 1.64 H new ATOM 0 HD23 LEU A 11 2.790 11.734 -4.008 1.00 1.64 H new ATOM 177 N ASN A 12 7.323 9.528 -1.305 1.00 0.34 N ATOM 178 CA ASN A 12 8.627 9.548 -0.659 1.00 0.36 C ATOM 179 C ASN A 12 9.042 8.131 -0.303 1.00 0.37 C ATOM 180 O ASN A 12 8.198 7.301 0.025 1.00 0.58 O ATOM 181 CB ASN A 12 8.584 10.418 0.598 1.00 0.42 C ATOM 182 CG ASN A 12 9.959 10.887 1.030 1.00 0.58 C ATOM 183 OD1 ASN A 12 10.752 9.976 1.582 1.00 0.72 O flip ATOM 184 ND2 ASN A 12 10.306 12.057 0.869 1.00 0.71 N flip ATOM 0 H ASN A 12 6.679 8.833 -0.927 1.00 0.34 H new ATOM 0 HA ASN A 12 9.358 9.972 -1.347 1.00 0.36 H new ATOM 0 HB2 ASN A 12 7.950 11.285 0.414 1.00 0.42 H new ATOM 0 HB3 ASN A 12 8.125 9.854 1.410 1.00 0.42 H new ATOM 0 HD21 ASN A 12 9.665 12.725 0.440 1.00 0.71 H new ATOM 0 HD22 ASN A 12 11.235 12.359 1.164 1.00 0.71 H new ATOM 191 N ILE A 13 10.335 7.844 -0.375 1.00 0.38 N ATOM 192 CA ILE A 13 10.811 6.507 -0.061 1.00 0.43 C ATOM 193 C ILE A 13 12.160 6.514 0.638 1.00 0.53 C ATOM 194 O ILE A 13 13.208 6.567 -0.007 1.00 0.75 O ATOM 195 CB ILE A 13 10.917 5.647 -1.326 1.00 0.48 C ATOM 196 CG1 ILE A 13 11.521 6.467 -2.475 1.00 0.49 C ATOM 197 CG2 ILE A 13 9.546 5.098 -1.693 1.00 0.53 C ATOM 198 CD1 ILE A 13 11.336 5.845 -3.840 1.00 0.96 C ATOM 0 H ILE A 13 11.061 8.508 -0.644 1.00 0.38 H new ATOM 0 HA ILE A 13 10.074 6.081 0.619 1.00 0.43 H new ATOM 0 HB ILE A 13 11.580 4.803 -1.137 1.00 0.48 H new ATOM 0 HG12 ILE A 13 11.070 7.459 -2.475 1.00 0.49 H new ATOM 0 HG13 ILE A 13 12.587 6.602 -2.290 1.00 0.49 H new ATOM 0 HG21 ILE A 13 9.627 4.488 -2.593 1.00 0.53 H new ATOM 0 HG22 ILE A 13 9.167 4.487 -0.873 1.00 0.53 H new ATOM 0 HG23 ILE A 13 8.860 5.925 -1.876 1.00 0.53 H new ATOM 0 HD11 ILE A 13 11.790 6.485 -4.596 1.00 0.96 H new ATOM 0 HD12 ILE A 13 11.812 4.865 -3.861 1.00 0.96 H new ATOM 0 HD13 ILE A 13 10.272 5.736 -4.049 1.00 0.96 H new ATOM 210 N THR A 14 12.128 6.437 1.961 1.00 0.59 N ATOM 211 CA THR A 14 13.346 6.407 2.751 1.00 0.71 C ATOM 212 C THR A 14 13.883 4.980 2.792 1.00 0.79 C ATOM 213 O THR A 14 13.140 4.026 2.560 1.00 1.46 O ATOM 214 CB THR A 14 13.083 6.909 4.172 1.00 0.75 C ATOM 215 OG1 THR A 14 11.854 7.613 4.239 1.00 0.69 O ATOM 216 CG2 THR A 14 14.169 7.826 4.690 1.00 0.94 C ATOM 0 H THR A 14 11.269 6.394 2.509 1.00 0.59 H new ATOM 0 HA THR A 14 14.083 7.064 2.290 1.00 0.71 H new ATOM 0 HB THR A 14 13.056 6.015 4.795 1.00 0.75 H new ATOM 0 HG1 THR A 14 11.110 6.978 4.184 1.00 0.69 H new ATOM 0 HG21 THR A 14 13.922 8.147 5.702 1.00 0.94 H new ATOM 0 HG22 THR A 14 15.120 7.294 4.700 1.00 0.94 H new ATOM 0 HG23 THR A 14 14.248 8.699 4.042 1.00 0.94 H new ATOM 224 N ARG A 15 15.169 4.834 3.078 1.00 0.66 N ATOM 225 CA ARG A 15 15.790 3.513 3.133 1.00 0.67 C ATOM 226 C ARG A 15 15.148 2.620 4.196 1.00 0.71 C ATOM 227 O ARG A 15 15.382 1.411 4.215 1.00 1.19 O ATOM 228 CB ARG A 15 17.294 3.620 3.387 1.00 0.80 C ATOM 229 CG ARG A 15 17.685 4.723 4.348 1.00 0.96 C ATOM 230 CD ARG A 15 16.922 4.628 5.658 1.00 1.13 C ATOM 231 NE ARG A 15 17.587 5.370 6.724 1.00 1.43 N ATOM 232 CZ ARG A 15 18.742 4.999 7.267 1.00 1.67 C ATOM 233 NH1 ARG A 15 19.356 3.902 6.844 1.00 2.42 N ATOM 234 NH2 ARG A 15 19.286 5.728 8.232 1.00 1.90 N ATOM 0 H ARG A 15 15.803 5.609 3.275 1.00 0.66 H new ATOM 0 HA ARG A 15 15.626 3.051 2.159 1.00 0.67 H new ATOM 0 HB2 ARG A 15 17.653 2.668 3.778 1.00 0.80 H new ATOM 0 HB3 ARG A 15 17.801 3.785 2.436 1.00 0.80 H new ATOM 0 HG2 ARG A 15 18.755 4.669 4.546 1.00 0.96 H new ATOM 0 HG3 ARG A 15 17.495 5.692 3.886 1.00 0.96 H new ATOM 0 HD2 ARG A 15 15.912 5.015 5.520 1.00 1.13 H new ATOM 0 HD3 ARG A 15 16.826 3.582 5.948 1.00 1.13 H new ATOM 0 HE ARG A 15 17.141 6.219 7.071 1.00 1.43 H new ATOM 0 HH11 ARG A 15 18.942 3.340 6.100 1.00 2.42 H new ATOM 0 HH12 ARG A 15 20.242 3.620 7.263 1.00 2.42 H new ATOM 0 HH21 ARG A 15 18.818 6.574 8.558 1.00 1.90 H new ATOM 0 HH22 ARG A 15 20.172 5.443 8.648 1.00 1.90 H new ATOM 248 N HIS A 16 14.344 3.207 5.082 1.00 0.50 N ATOM 249 CA HIS A 16 13.694 2.434 6.134 1.00 0.54 C ATOM 250 C HIS A 16 12.244 2.873 6.354 1.00 0.57 C ATOM 251 O HIS A 16 11.694 2.696 7.441 1.00 0.97 O ATOM 252 CB HIS A 16 14.482 2.561 7.438 1.00 0.67 C ATOM 253 CG HIS A 16 15.378 1.392 7.705 1.00 0.68 C ATOM 254 ND1 HIS A 16 15.010 0.299 8.456 1.00 0.97 N ATOM 255 CD2 HIS A 16 16.652 1.157 7.302 1.00 0.78 C ATOM 256 CE1 HIS A 16 16.047 -0.548 8.485 1.00 1.02 C ATOM 257 NE2 HIS A 16 17.069 -0.074 7.799 1.00 0.86 N ATOM 0 H HIS A 16 14.130 4.204 5.091 1.00 0.50 H new ATOM 0 HA HIS A 16 13.678 1.392 5.815 1.00 0.54 H new ATOM 0 HB2 HIS A 16 15.083 3.470 7.404 1.00 0.67 H new ATOM 0 HB3 HIS A 16 13.783 2.671 8.267 1.00 0.67 H new ATOM 0 HD2 HIS A 16 17.248 1.820 6.692 1.00 0.78 H new ATOM 0 HE1 HIS A 16 16.047 -1.496 9.003 1.00 1.02 H new ATOM 0 HE2 HIS A 16 17.977 -0.518 7.661 1.00 0.86 H new ATOM 265 N THR A 17 11.627 3.439 5.320 1.00 0.43 N ATOM 266 CA THR A 17 10.238 3.891 5.413 1.00 0.42 C ATOM 267 C THR A 17 9.750 4.432 4.072 1.00 0.38 C ATOM 268 O THR A 17 10.271 5.425 3.569 1.00 0.56 O ATOM 269 CB THR A 17 10.084 4.966 6.492 1.00 0.56 C ATOM 270 OG1 THR A 17 11.349 5.490 6.867 1.00 0.65 O ATOM 271 CG2 THR A 17 9.395 4.459 7.743 1.00 0.68 C ATOM 0 H THR A 17 12.063 3.596 4.411 1.00 0.43 H new ATOM 0 HA THR A 17 9.629 3.029 5.687 1.00 0.42 H new ATOM 0 HB THR A 17 9.461 5.741 6.045 1.00 0.56 H new ATOM 0 HG1 THR A 17 11.228 6.176 7.556 1.00 0.65 H new ATOM 0 HG21 THR A 17 9.317 5.269 8.469 1.00 0.68 H new ATOM 0 HG22 THR A 17 8.397 4.101 7.489 1.00 0.68 H new ATOM 0 HG23 THR A 17 9.975 3.642 8.172 1.00 0.68 H new ATOM 279 N VAL A 18 8.748 3.772 3.499 1.00 0.27 N ATOM 280 CA VAL A 18 8.194 4.188 2.217 1.00 0.33 C ATOM 281 C VAL A 18 6.833 4.865 2.398 1.00 0.32 C ATOM 282 O VAL A 18 6.004 4.409 3.180 1.00 0.51 O ATOM 283 CB VAL A 18 8.057 2.984 1.261 1.00 0.44 C ATOM 284 CG1 VAL A 18 7.426 3.404 -0.057 1.00 0.80 C ATOM 285 CG2 VAL A 18 9.416 2.337 1.026 1.00 0.46 C ATOM 0 H VAL A 18 8.304 2.947 3.903 1.00 0.27 H new ATOM 0 HA VAL A 18 8.885 4.909 1.779 1.00 0.33 H new ATOM 0 HB VAL A 18 7.400 2.250 1.728 1.00 0.44 H new ATOM 0 HG11 VAL A 18 7.341 2.537 -0.712 1.00 0.80 H new ATOM 0 HG12 VAL A 18 6.434 3.817 0.129 1.00 0.80 H new ATOM 0 HG13 VAL A 18 8.050 4.160 -0.534 1.00 0.80 H new ATOM 0 HG21 VAL A 18 9.303 1.489 0.350 1.00 0.46 H new ATOM 0 HG22 VAL A 18 10.095 3.066 0.584 1.00 0.46 H new ATOM 0 HG23 VAL A 18 9.824 1.992 1.976 1.00 0.46 H new ATOM 295 N THR A 19 6.621 5.962 1.675 1.00 0.27 N ATOM 296 CA THR A 19 5.370 6.716 1.756 1.00 0.24 C ATOM 297 C THR A 19 4.638 6.736 0.413 1.00 0.22 C ATOM 298 O THR A 19 5.190 7.206 -0.583 1.00 0.34 O ATOM 299 CB THR A 19 5.669 8.161 2.192 1.00 0.28 C ATOM 300 OG1 THR A 19 6.044 8.213 3.556 1.00 0.35 O ATOM 301 CG2 THR A 19 4.502 9.109 2.001 1.00 0.32 C ATOM 0 H THR A 19 7.302 6.351 1.023 1.00 0.27 H new ATOM 0 HA THR A 19 4.728 6.225 2.487 1.00 0.24 H new ATOM 0 HB THR A 19 6.485 8.484 1.545 1.00 0.28 H new ATOM 0 HG1 THR A 19 6.230 9.141 3.809 1.00 0.35 H new ATOM 0 HG21 THR A 19 4.787 10.108 2.330 1.00 0.32 H new ATOM 0 HG22 THR A 19 4.226 9.139 0.947 1.00 0.32 H new ATOM 0 HG23 THR A 19 3.652 8.763 2.589 1.00 0.32 H new ATOM 309 N LEU A 20 3.389 6.252 0.395 1.00 0.28 N ATOM 310 CA LEU A 20 2.599 6.249 -0.834 1.00 0.26 C ATOM 311 C LEU A 20 1.196 6.794 -0.613 1.00 0.28 C ATOM 312 O LEU A 20 0.637 6.722 0.485 1.00 0.40 O ATOM 313 CB LEU A 20 2.522 4.855 -1.475 1.00 0.33 C ATOM 314 CG LEU A 20 2.811 3.664 -0.559 1.00 0.39 C ATOM 315 CD1 LEU A 20 4.258 3.687 -0.110 1.00 0.50 C ATOM 316 CD2 LEU A 20 1.872 3.645 0.636 1.00 0.52 C ATOM 0 H LEU A 20 2.912 5.863 1.209 1.00 0.28 H new ATOM 0 HA LEU A 20 3.122 6.912 -1.524 1.00 0.26 H new ATOM 0 HB2 LEU A 20 1.524 4.728 -1.895 1.00 0.33 H new ATOM 0 HB3 LEU A 20 3.225 4.823 -2.307 1.00 0.33 H new ATOM 0 HG LEU A 20 2.637 2.749 -1.126 1.00 0.39 H new ATOM 0 HD11 LEU A 20 4.450 2.834 0.541 1.00 0.50 H new ATOM 0 HD12 LEU A 20 4.910 3.633 -0.982 1.00 0.50 H new ATOM 0 HD13 LEU A 20 4.456 4.611 0.434 1.00 0.50 H new ATOM 0 HD21 LEU A 20 2.103 2.787 1.267 1.00 0.52 H new ATOM 0 HD22 LEU A 20 1.997 4.562 1.211 1.00 0.52 H new ATOM 0 HD23 LEU A 20 0.842 3.572 0.288 1.00 0.52 H new ATOM 328 N LYS A 21 0.645 7.344 -1.689 1.00 0.25 N ATOM 329 CA LYS A 21 -0.691 7.924 -1.681 1.00 0.31 C ATOM 330 C LYS A 21 -1.471 7.436 -2.898 1.00 0.31 C ATOM 331 O LYS A 21 -0.878 7.063 -3.911 1.00 0.51 O ATOM 332 CB LYS A 21 -0.591 9.456 -1.685 1.00 0.40 C ATOM 333 CG LYS A 21 -1.894 10.174 -2.005 1.00 0.81 C ATOM 334 CD LYS A 21 -2.830 10.190 -0.811 1.00 0.95 C ATOM 335 CE LYS A 21 -3.896 11.264 -0.962 1.00 1.26 C ATOM 336 NZ LYS A 21 -4.133 12.002 0.310 1.00 1.84 N ATOM 0 H LYS A 21 1.114 7.400 -2.593 1.00 0.25 H new ATOM 0 HA LYS A 21 -1.218 7.611 -0.780 1.00 0.31 H new ATOM 0 HB2 LYS A 21 -0.239 9.787 -0.708 1.00 0.40 H new ATOM 0 HB3 LYS A 21 0.163 9.756 -2.413 1.00 0.40 H new ATOM 0 HG2 LYS A 21 -1.680 11.197 -2.314 1.00 0.81 H new ATOM 0 HG3 LYS A 21 -2.384 9.683 -2.846 1.00 0.81 H new ATOM 0 HD2 LYS A 21 -3.305 9.215 -0.705 1.00 0.95 H new ATOM 0 HD3 LYS A 21 -2.258 10.367 0.100 1.00 0.95 H new ATOM 0 HE2 LYS A 21 -3.594 11.968 -1.738 1.00 1.26 H new ATOM 0 HE3 LYS A 21 -4.828 10.805 -1.293 1.00 1.26 H new ATOM 0 HZ1 LYS A 21 -4.867 12.724 0.161 1.00 1.84 H new ATOM 0 HZ2 LYS A 21 -4.447 11.336 1.045 1.00 1.84 H new ATOM 0 HZ3 LYS A 21 -3.251 12.462 0.614 1.00 1.84 H new ATOM 350 N TRP A 22 -2.794 7.431 -2.800 1.00 0.25 N ATOM 351 CA TRP A 22 -3.620 6.976 -3.909 1.00 0.24 C ATOM 352 C TRP A 22 -4.924 7.754 -4.011 1.00 0.24 C ATOM 353 O TRP A 22 -5.170 8.686 -3.245 1.00 0.40 O ATOM 354 CB TRP A 22 -3.920 5.489 -3.761 1.00 0.27 C ATOM 355 CG TRP A 22 -4.509 5.116 -2.435 1.00 0.26 C ATOM 356 CD1 TRP A 22 -5.820 4.846 -2.170 1.00 0.32 C ATOM 357 CD2 TRP A 22 -3.809 4.969 -1.195 1.00 0.25 C ATOM 358 NE1 TRP A 22 -5.979 4.540 -0.841 1.00 0.33 N ATOM 359 CE2 TRP A 22 -4.760 4.606 -0.221 1.00 0.28 C ATOM 360 CE3 TRP A 22 -2.473 5.105 -0.811 1.00 0.27 C ATOM 361 CZ2 TRP A 22 -4.417 4.381 1.109 1.00 0.31 C ATOM 362 CZ3 TRP A 22 -2.132 4.880 0.511 1.00 0.31 C ATOM 363 CH2 TRP A 22 -3.101 4.520 1.457 1.00 0.32 C ATOM 0 H TRP A 22 -3.312 7.733 -1.975 1.00 0.25 H new ATOM 0 HA TRP A 22 -3.057 7.152 -4.826 1.00 0.24 H new ATOM 0 HB2 TRP A 22 -4.608 5.187 -4.551 1.00 0.27 H new ATOM 0 HB3 TRP A 22 -2.998 4.926 -3.909 1.00 0.27 H new ATOM 0 HD1 TRP A 22 -6.616 4.870 -2.899 1.00 0.32 H new ATOM 0 HE1 TRP A 22 -6.862 4.302 -0.389 1.00 0.33 H new ATOM 0 HE3 TRP A 22 -1.719 5.381 -1.533 1.00 0.27 H new ATOM 0 HZ2 TRP A 22 -5.163 4.107 1.840 1.00 0.31 H new ATOM 0 HZ3 TRP A 22 -1.102 4.984 0.819 1.00 0.31 H new ATOM 0 HH2 TRP A 22 -2.803 4.349 2.481 1.00 0.32 H new ATOM 374 N ALA A 23 -5.752 7.358 -4.971 1.00 0.31 N ATOM 375 CA ALA A 23 -7.035 8.003 -5.196 1.00 0.33 C ATOM 376 C ALA A 23 -8.154 7.287 -4.451 1.00 0.36 C ATOM 377 O ALA A 23 -8.025 6.116 -4.088 1.00 0.83 O ATOM 378 CB ALA A 23 -7.342 8.043 -6.685 1.00 0.36 C ATOM 0 H ALA A 23 -5.553 6.587 -5.609 1.00 0.31 H new ATOM 0 HA ALA A 23 -6.973 9.021 -4.812 1.00 0.33 H new ATOM 0 HB1 ALA A 23 -8.305 8.528 -6.845 1.00 0.36 H new ATOM 0 HB2 ALA A 23 -6.563 8.603 -7.202 1.00 0.36 H new ATOM 0 HB3 ALA A 23 -7.378 7.026 -7.076 1.00 0.36 H new ATOM 384 N LYS A 24 -9.255 7.996 -4.233 1.00 0.59 N ATOM 385 CA LYS A 24 -10.408 7.433 -3.539 1.00 0.61 C ATOM 386 C LYS A 24 -11.337 6.746 -4.532 1.00 0.59 C ATOM 387 O LYS A 24 -11.599 7.273 -5.614 1.00 0.69 O ATOM 388 CB LYS A 24 -11.172 8.538 -2.801 1.00 0.74 C ATOM 389 CG LYS A 24 -12.082 8.032 -1.689 1.00 1.21 C ATOM 390 CD LYS A 24 -13.433 7.571 -2.224 1.00 1.22 C ATOM 391 CE LYS A 24 -14.414 8.727 -2.328 1.00 1.55 C ATOM 392 NZ LYS A 24 -15.670 8.333 -3.025 1.00 2.11 N ATOM 0 H LYS A 24 -9.374 8.965 -4.528 1.00 0.59 H new ATOM 0 HA LYS A 24 -10.052 6.699 -2.816 1.00 0.61 H new ATOM 0 HB2 LYS A 24 -10.454 9.240 -2.377 1.00 0.74 H new ATOM 0 HB3 LYS A 24 -11.772 9.093 -3.522 1.00 0.74 H new ATOM 0 HG2 LYS A 24 -11.596 7.206 -1.170 1.00 1.21 H new ATOM 0 HG3 LYS A 24 -12.233 8.824 -0.955 1.00 1.21 H new ATOM 0 HD2 LYS A 24 -13.301 7.115 -3.205 1.00 1.22 H new ATOM 0 HD3 LYS A 24 -13.842 6.803 -1.568 1.00 1.22 H new ATOM 0 HE2 LYS A 24 -14.653 9.091 -1.329 1.00 1.55 H new ATOM 0 HE3 LYS A 24 -13.946 9.553 -2.864 1.00 1.55 H new ATOM 0 HZ1 LYS A 24 -16.205 9.186 -3.285 1.00 2.11 H new ATOM 0 HZ2 LYS A 24 -15.436 7.795 -3.884 1.00 2.11 H new ATOM 0 HZ3 LYS A 24 -16.247 7.742 -2.393 1.00 2.11 H new ATOM 406 N PRO A 25 -11.860 5.560 -4.179 1.00 0.56 N ATOM 407 CA PRO A 25 -12.770 4.814 -5.042 1.00 0.63 C ATOM 408 C PRO A 25 -13.786 5.727 -5.724 1.00 0.75 C ATOM 409 O PRO A 25 -14.026 6.849 -5.277 1.00 0.89 O ATOM 410 CB PRO A 25 -13.472 3.840 -4.084 1.00 0.63 C ATOM 411 CG PRO A 25 -12.911 4.111 -2.720 1.00 0.71 C ATOM 412 CD PRO A 25 -11.622 4.852 -2.922 1.00 0.58 C ATOM 0 HA PRO A 25 -12.243 4.312 -5.854 1.00 0.63 H new ATOM 0 HB2 PRO A 25 -14.551 3.992 -4.097 1.00 0.63 H new ATOM 0 HB3 PRO A 25 -13.292 2.806 -4.380 1.00 0.63 H new ATOM 0 HG2 PRO A 25 -13.608 4.702 -2.126 1.00 0.71 H new ATOM 0 HG3 PRO A 25 -12.741 3.180 -2.180 1.00 0.71 H new ATOM 0 HD2 PRO A 25 -11.416 5.539 -2.102 1.00 0.58 H new ATOM 0 HD3 PRO A 25 -10.771 4.175 -2.992 1.00 0.58 H new ATOM 420 N GLU A 26 -14.373 5.241 -6.808 1.00 0.85 N ATOM 421 CA GLU A 26 -15.355 6.015 -7.558 1.00 1.05 C ATOM 422 C GLU A 26 -16.778 5.549 -7.263 1.00 0.95 C ATOM 423 O GLU A 26 -17.722 6.337 -7.332 1.00 1.12 O ATOM 424 CB GLU A 26 -15.072 5.911 -9.057 1.00 1.29 C ATOM 425 CG GLU A 26 -15.126 4.488 -9.586 1.00 1.83 C ATOM 426 CD GLU A 26 -15.334 4.427 -11.086 1.00 2.18 C ATOM 427 OE1 GLU A 26 -15.718 5.459 -11.674 1.00 2.77 O ATOM 428 OE2 GLU A 26 -15.113 3.347 -11.672 1.00 2.53 O ATOM 0 H GLU A 26 -14.187 4.313 -7.189 1.00 0.85 H new ATOM 0 HA GLU A 26 -15.270 7.055 -7.244 1.00 1.05 H new ATOM 0 HB2 GLU A 26 -15.796 6.519 -9.599 1.00 1.29 H new ATOM 0 HB3 GLU A 26 -14.087 6.330 -9.263 1.00 1.29 H new ATOM 0 HG2 GLU A 26 -14.199 3.975 -9.331 1.00 1.83 H new ATOM 0 HG3 GLU A 26 -15.934 3.951 -9.089 1.00 1.83 H new ATOM 435 N TYR A 27 -16.931 4.269 -6.940 1.00 0.85 N ATOM 436 CA TYR A 27 -18.248 3.717 -6.644 1.00 0.84 C ATOM 437 C TYR A 27 -18.293 3.087 -5.253 1.00 0.86 C ATOM 438 O TYR A 27 -18.945 3.608 -4.350 1.00 1.37 O ATOM 439 CB TYR A 27 -18.643 2.682 -7.701 1.00 0.86 C ATOM 440 CG TYR A 27 -20.139 2.515 -7.853 1.00 0.94 C ATOM 441 CD1 TYR A 27 -20.883 3.408 -8.613 1.00 1.15 C ATOM 442 CD2 TYR A 27 -20.807 1.462 -7.240 1.00 0.93 C ATOM 443 CE1 TYR A 27 -22.248 3.260 -8.759 1.00 1.28 C ATOM 444 CE2 TYR A 27 -22.173 1.305 -7.381 1.00 1.04 C ATOM 445 CZ TYR A 27 -22.891 2.207 -8.125 1.00 1.19 C ATOM 446 OH TYR A 27 -24.250 2.056 -8.285 1.00 1.35 O ATOM 0 H TYR A 27 -16.165 3.598 -6.877 1.00 0.85 H new ATOM 0 HA TYR A 27 -18.962 4.540 -6.664 1.00 0.84 H new ATOM 0 HB2 TYR A 27 -18.219 2.975 -8.661 1.00 0.86 H new ATOM 0 HB3 TYR A 27 -18.203 1.720 -7.438 1.00 0.86 H new ATOM 0 HD1 TYR A 27 -20.385 4.234 -9.099 1.00 1.15 H new ATOM 0 HD2 TYR A 27 -20.250 0.755 -6.644 1.00 0.93 H new ATOM 0 HE1 TYR A 27 -22.810 3.958 -9.362 1.00 1.28 H new ATOM 0 HE2 TYR A 27 -22.674 0.474 -6.907 1.00 1.04 H new ATOM 0 HH TYR A 27 -24.554 1.273 -7.780 1.00 1.35 H new ATOM 456 N THR A 28 -17.603 1.960 -5.087 1.00 0.65 N ATOM 457 CA THR A 28 -17.577 1.258 -3.802 1.00 0.61 C ATOM 458 C THR A 28 -18.982 1.133 -3.223 1.00 0.66 C ATOM 459 O THR A 28 -19.234 1.535 -2.086 1.00 0.81 O ATOM 460 CB THR A 28 -16.662 1.977 -2.809 1.00 0.64 C ATOM 461 OG1 THR A 28 -16.488 3.335 -3.175 1.00 0.91 O ATOM 462 CG2 THR A 28 -15.291 1.347 -2.701 1.00 0.79 C ATOM 0 H THR A 28 -17.056 1.513 -5.823 1.00 0.65 H new ATOM 0 HA THR A 28 -17.183 0.257 -3.977 1.00 0.61 H new ATOM 0 HB THR A 28 -17.160 1.894 -1.843 1.00 0.64 H new ATOM 0 HG1 THR A 28 -16.037 3.814 -2.449 1.00 0.91 H new ATOM 0 HG21 THR A 28 -14.691 1.903 -1.981 1.00 0.79 H new ATOM 0 HG22 THR A 28 -15.391 0.314 -2.369 1.00 0.79 H new ATOM 0 HG23 THR A 28 -14.802 1.369 -3.675 1.00 0.79 H new ATOM 470 N GLY A 29 -19.890 0.570 -4.020 1.00 0.75 N ATOM 471 CA GLY A 29 -21.270 0.386 -3.594 1.00 0.80 C ATOM 472 C GLY A 29 -21.797 1.543 -2.761 1.00 0.85 C ATOM 473 O GLY A 29 -21.627 2.709 -3.123 1.00 1.01 O ATOM 0 H GLY A 29 -19.691 0.235 -4.963 1.00 0.75 H new ATOM 0 HA2 GLY A 29 -21.902 0.262 -4.473 1.00 0.80 H new ATOM 0 HA3 GLY A 29 -21.345 -0.534 -3.015 1.00 0.80 H new ATOM 477 N GLY A 30 -22.418 1.216 -1.637 1.00 0.83 N ATOM 478 CA GLY A 30 -22.939 2.234 -0.745 1.00 0.89 C ATOM 479 C GLY A 30 -22.114 2.290 0.521 1.00 0.85 C ATOM 480 O GLY A 30 -22.614 2.611 1.600 1.00 0.98 O ATOM 0 H GLY A 30 -22.572 0.257 -1.324 1.00 0.83 H new ATOM 0 HA2 GLY A 30 -22.924 3.205 -1.241 1.00 0.89 H new ATOM 0 HA3 GLY A 30 -23.979 2.017 -0.501 1.00 0.89 H new ATOM 484 N PHE A 31 -20.841 1.950 0.368 1.00 0.73 N ATOM 485 CA PHE A 31 -19.892 1.920 1.469 1.00 0.69 C ATOM 486 C PHE A 31 -19.084 3.212 1.539 1.00 0.67 C ATOM 487 O PHE A 31 -19.203 4.080 0.674 1.00 0.74 O ATOM 488 CB PHE A 31 -18.934 0.747 1.285 1.00 0.63 C ATOM 489 CG PHE A 31 -19.500 -0.400 0.491 1.00 0.67 C ATOM 490 CD1 PHE A 31 -20.576 -1.130 0.973 1.00 0.79 C ATOM 491 CD2 PHE A 31 -18.958 -0.746 -0.738 1.00 0.64 C ATOM 492 CE1 PHE A 31 -21.098 -2.183 0.246 1.00 0.87 C ATOM 493 CE2 PHE A 31 -19.477 -1.797 -1.468 1.00 0.73 C ATOM 494 CZ PHE A 31 -20.548 -2.517 -0.975 1.00 0.83 C ATOM 0 H PHE A 31 -20.437 1.686 -0.530 1.00 0.73 H new ATOM 0 HA PHE A 31 -20.455 1.810 2.396 1.00 0.69 H new ATOM 0 HB2 PHE A 31 -18.031 1.105 0.790 1.00 0.63 H new ATOM 0 HB3 PHE A 31 -18.635 0.381 2.267 1.00 0.63 H new ATOM 0 HD1 PHE A 31 -21.011 -0.873 1.927 1.00 0.79 H new ATOM 0 HD2 PHE A 31 -18.120 -0.187 -1.128 1.00 0.64 H new ATOM 0 HE1 PHE A 31 -21.936 -2.744 0.633 1.00 0.87 H new ATOM 0 HE2 PHE A 31 -19.046 -2.056 -2.424 1.00 0.73 H new ATOM 0 HZ PHE A 31 -20.954 -3.340 -1.544 1.00 0.83 H new ATOM 504 N LYS A 32 -18.255 3.325 2.571 1.00 0.68 N ATOM 505 CA LYS A 32 -17.417 4.508 2.751 1.00 0.72 C ATOM 506 C LYS A 32 -15.986 4.148 3.169 1.00 0.66 C ATOM 507 O LYS A 32 -15.158 5.036 3.364 1.00 0.74 O ATOM 508 CB LYS A 32 -18.035 5.440 3.793 1.00 0.86 C ATOM 509 CG LYS A 32 -17.503 6.862 3.726 1.00 1.38 C ATOM 510 CD LYS A 32 -17.486 7.515 5.098 1.00 1.38 C ATOM 511 CE LYS A 32 -16.065 7.750 5.586 1.00 1.50 C ATOM 512 NZ LYS A 32 -15.415 8.887 4.878 1.00 2.26 N ATOM 0 H LYS A 32 -18.144 2.615 3.295 1.00 0.68 H new ATOM 0 HA LYS A 32 -17.365 5.013 1.786 1.00 0.72 H new ATOM 0 HB2 LYS A 32 -19.116 5.458 3.657 1.00 0.86 H new ATOM 0 HB3 LYS A 32 -17.846 5.036 4.788 1.00 0.86 H new ATOM 0 HG2 LYS A 32 -16.494 6.855 3.313 1.00 1.38 H new ATOM 0 HG3 LYS A 32 -18.121 7.451 3.049 1.00 1.38 H new ATOM 0 HD2 LYS A 32 -18.019 8.465 5.057 1.00 1.38 H new ATOM 0 HD3 LYS A 32 -18.016 6.882 5.810 1.00 1.38 H new ATOM 0 HE2 LYS A 32 -16.078 7.949 6.658 1.00 1.50 H new ATOM 0 HE3 LYS A 32 -15.476 6.845 5.437 1.00 1.50 H new ATOM 0 HZ1 LYS A 32 -14.448 9.014 5.240 1.00 2.26 H new ATOM 0 HZ2 LYS A 32 -15.380 8.686 3.858 1.00 2.26 H new ATOM 0 HZ3 LYS A 32 -15.963 9.756 5.041 1.00 2.26 H new ATOM 526 N ILE A 33 -15.693 2.852 3.307 1.00 0.67 N ATOM 527 CA ILE A 33 -14.359 2.406 3.706 1.00 0.66 C ATOM 528 C ILE A 33 -13.988 2.953 5.082 1.00 0.80 C ATOM 529 O ILE A 33 -14.254 4.113 5.396 1.00 1.71 O ATOM 530 CB ILE A 33 -13.292 2.825 2.676 1.00 0.59 C ATOM 531 CG1 ILE A 33 -13.638 2.248 1.301 1.00 0.79 C ATOM 532 CG2 ILE A 33 -11.910 2.361 3.120 1.00 0.58 C ATOM 533 CD1 ILE A 33 -12.566 2.468 0.254 1.00 0.91 C ATOM 0 H ILE A 33 -16.360 2.097 3.149 1.00 0.67 H new ATOM 0 HA ILE A 33 -14.386 1.317 3.752 1.00 0.66 H new ATOM 0 HB ILE A 33 -13.279 3.913 2.606 1.00 0.59 H new ATOM 0 HG12 ILE A 33 -13.819 1.178 1.402 1.00 0.79 H new ATOM 0 HG13 ILE A 33 -14.569 2.697 0.954 1.00 0.79 H new ATOM 0 HG21 ILE A 33 -11.169 2.665 2.381 1.00 0.58 H new ATOM 0 HG22 ILE A 33 -11.667 2.810 4.083 1.00 0.58 H new ATOM 0 HG23 ILE A 33 -11.904 1.275 3.214 1.00 0.58 H new ATOM 0 HD11 ILE A 33 -12.886 2.031 -0.692 1.00 0.91 H new ATOM 0 HD12 ILE A 33 -12.401 3.537 0.122 1.00 0.91 H new ATOM 0 HD13 ILE A 33 -11.639 1.995 0.577 1.00 0.91 H new ATOM 545 N THR A 34 -13.380 2.107 5.907 1.00 0.72 N ATOM 546 CA THR A 34 -12.987 2.510 7.253 1.00 0.73 C ATOM 547 C THR A 34 -11.479 2.384 7.477 1.00 0.59 C ATOM 548 O THR A 34 -10.955 2.883 8.473 1.00 0.76 O ATOM 549 CB THR A 34 -13.739 1.674 8.290 1.00 0.99 C ATOM 550 OG1 THR A 34 -13.177 0.378 8.391 1.00 1.09 O ATOM 551 CG2 THR A 34 -15.212 1.513 7.977 1.00 1.15 C ATOM 0 H THR A 34 -13.149 1.142 5.669 1.00 0.72 H new ATOM 0 HA THR A 34 -13.248 3.562 7.367 1.00 0.73 H new ATOM 0 HB THR A 34 -13.642 2.221 9.228 1.00 0.99 H new ATOM 0 HG1 THR A 34 -13.670 -0.141 9.060 1.00 1.09 H new ATOM 0 HG21 THR A 34 -15.685 0.910 8.752 1.00 1.15 H new ATOM 0 HG22 THR A 34 -15.686 2.494 7.941 1.00 1.15 H new ATOM 0 HG23 THR A 34 -15.327 1.019 7.012 1.00 1.15 H new ATOM 559 N SER A 35 -10.782 1.719 6.557 1.00 0.49 N ATOM 560 CA SER A 35 -9.335 1.542 6.684 1.00 0.47 C ATOM 561 C SER A 35 -8.719 1.027 5.390 1.00 0.45 C ATOM 562 O SER A 35 -9.276 0.149 4.736 1.00 0.72 O ATOM 563 CB SER A 35 -9.020 0.565 7.814 1.00 0.64 C ATOM 564 OG SER A 35 -10.157 0.340 8.629 1.00 1.58 O ATOM 0 H SER A 35 -11.190 1.297 5.723 1.00 0.49 H new ATOM 0 HA SER A 35 -8.905 2.518 6.908 1.00 0.47 H new ATOM 0 HB2 SER A 35 -8.677 -0.381 7.395 1.00 0.64 H new ATOM 0 HB3 SER A 35 -8.206 0.959 8.422 1.00 0.64 H new ATOM 0 HG SER A 35 -10.271 1.092 9.247 1.00 1.58 H new ATOM 570 N TYR A 36 -7.562 1.574 5.030 1.00 0.27 N ATOM 571 CA TYR A 36 -6.865 1.163 3.818 1.00 0.28 C ATOM 572 C TYR A 36 -5.659 0.293 4.154 1.00 0.33 C ATOM 573 O TYR A 36 -4.596 0.798 4.497 1.00 0.68 O ATOM 574 CB TYR A 36 -6.417 2.389 3.020 1.00 0.29 C ATOM 575 CG TYR A 36 -7.522 3.012 2.200 1.00 0.33 C ATOM 576 CD1 TYR A 36 -8.199 2.276 1.235 1.00 0.53 C ATOM 577 CD2 TYR A 36 -7.889 4.337 2.391 1.00 0.57 C ATOM 578 CE1 TYR A 36 -9.211 2.843 0.484 1.00 0.64 C ATOM 579 CE2 TYR A 36 -8.902 4.912 1.645 1.00 0.67 C ATOM 580 CZ TYR A 36 -9.560 4.163 0.694 1.00 0.60 C ATOM 581 OH TYR A 36 -10.568 4.736 -0.051 1.00 0.76 O ATOM 0 H TYR A 36 -7.088 2.304 5.562 1.00 0.27 H new ATOM 0 HA TYR A 36 -7.557 0.577 3.212 1.00 0.28 H new ATOM 0 HB2 TYR A 36 -6.021 3.136 3.708 1.00 0.29 H new ATOM 0 HB3 TYR A 36 -5.601 2.102 2.357 1.00 0.29 H new ATOM 0 HD1 TYR A 36 -7.930 1.243 1.069 1.00 0.53 H new ATOM 0 HD2 TYR A 36 -7.375 4.929 3.134 1.00 0.57 H new ATOM 0 HE1 TYR A 36 -9.726 2.257 -0.263 1.00 0.64 H new ATOM 0 HE2 TYR A 36 -9.176 5.944 1.807 1.00 0.67 H new ATOM 0 HH TYR A 36 -10.687 5.669 0.223 1.00 0.76 H new ATOM 591 N ILE A 37 -5.829 -1.018 4.046 1.00 0.24 N ATOM 592 CA ILE A 37 -4.744 -1.951 4.336 1.00 0.26 C ATOM 593 C ILE A 37 -3.829 -2.072 3.121 1.00 0.33 C ATOM 594 O ILE A 37 -4.198 -1.663 2.023 1.00 0.70 O ATOM 595 CB ILE A 37 -5.258 -3.367 4.710 1.00 0.36 C ATOM 596 CG1 ILE A 37 -6.582 -3.318 5.492 1.00 0.41 C ATOM 597 CG2 ILE A 37 -4.207 -4.112 5.522 1.00 0.46 C ATOM 598 CD1 ILE A 37 -7.549 -4.412 5.094 1.00 1.14 C ATOM 0 H ILE A 37 -6.703 -1.460 3.761 1.00 0.24 H new ATOM 0 HA ILE A 37 -4.204 -1.550 5.194 1.00 0.26 H new ATOM 0 HB ILE A 37 -5.445 -3.897 3.776 1.00 0.36 H new ATOM 0 HG12 ILE A 37 -6.370 -3.399 6.558 1.00 0.41 H new ATOM 0 HG13 ILE A 37 -7.055 -2.349 5.334 1.00 0.41 H new ATOM 0 HG21 ILE A 37 -4.580 -5.104 5.778 1.00 0.46 H new ATOM 0 HG22 ILE A 37 -3.294 -4.208 4.934 1.00 0.46 H new ATOM 0 HG23 ILE A 37 -3.993 -3.558 6.436 1.00 0.46 H new ATOM 0 HD11 ILE A 37 -8.462 -4.322 5.682 1.00 1.14 H new ATOM 0 HD12 ILE A 37 -7.788 -4.318 4.035 1.00 1.14 H new ATOM 0 HD13 ILE A 37 -7.094 -5.385 5.278 1.00 1.14 H new ATOM 610 N VAL A 38 -2.641 -2.634 3.313 1.00 0.36 N ATOM 611 CA VAL A 38 -1.702 -2.802 2.207 1.00 0.42 C ATOM 612 C VAL A 38 -0.700 -3.911 2.500 1.00 0.35 C ATOM 613 O VAL A 38 -0.175 -4.029 3.607 1.00 0.48 O ATOM 614 CB VAL A 38 -0.993 -1.455 1.797 1.00 0.63 C ATOM 615 CG1 VAL A 38 -1.129 -0.387 2.872 1.00 0.46 C ATOM 616 CG2 VAL A 38 0.483 -1.633 1.425 1.00 0.51 C ATOM 0 H VAL A 38 -2.306 -2.978 4.213 1.00 0.36 H new ATOM 0 HA VAL A 38 -2.287 -3.106 1.339 1.00 0.42 H new ATOM 0 HB VAL A 38 -1.518 -1.123 0.901 1.00 0.63 H new ATOM 0 HG11 VAL A 38 -0.626 0.523 2.546 1.00 0.46 H new ATOM 0 HG12 VAL A 38 -2.185 -0.176 3.044 1.00 0.46 H new ATOM 0 HG13 VAL A 38 -0.674 -0.742 3.797 1.00 0.46 H new ATOM 0 HG21 VAL A 38 0.909 -0.667 1.153 1.00 0.51 H new ATOM 0 HG22 VAL A 38 1.026 -2.042 2.277 1.00 0.51 H new ATOM 0 HG23 VAL A 38 0.565 -2.316 0.580 1.00 0.51 H new ATOM 626 N GLU A 39 -0.455 -4.722 1.480 1.00 0.30 N ATOM 627 CA GLU A 39 0.468 -5.835 1.584 1.00 0.33 C ATOM 628 C GLU A 39 1.768 -5.510 0.857 1.00 0.32 C ATOM 629 O GLU A 39 1.751 -4.997 -0.262 1.00 0.43 O ATOM 630 CB GLU A 39 -0.185 -7.090 1.006 1.00 0.42 C ATOM 631 CG GLU A 39 -1.549 -7.388 1.611 1.00 0.51 C ATOM 632 CD GLU A 39 -1.820 -8.873 1.748 1.00 0.92 C ATOM 633 OE1 GLU A 39 -1.332 -9.478 2.725 1.00 1.67 O ATOM 634 OE2 GLU A 39 -2.523 -9.430 0.878 1.00 1.52 O ATOM 0 H GLU A 39 -0.890 -4.625 0.563 1.00 0.30 H new ATOM 0 HA GLU A 39 0.707 -6.016 2.632 1.00 0.33 H new ATOM 0 HB2 GLU A 39 -0.291 -6.973 -0.073 1.00 0.42 H new ATOM 0 HB3 GLU A 39 0.473 -7.943 1.171 1.00 0.42 H new ATOM 0 HG2 GLU A 39 -1.616 -6.919 2.593 1.00 0.51 H new ATOM 0 HG3 GLU A 39 -2.323 -6.938 0.989 1.00 0.51 H new ATOM 641 N LYS A 40 2.892 -5.802 1.499 1.00 0.28 N ATOM 642 CA LYS A 40 4.198 -5.528 0.910 1.00 0.31 C ATOM 643 C LYS A 40 4.843 -6.800 0.389 1.00 0.29 C ATOM 644 O LYS A 40 4.664 -7.875 0.958 1.00 0.35 O ATOM 645 CB LYS A 40 5.128 -4.870 1.933 1.00 0.43 C ATOM 646 CG LYS A 40 5.149 -5.572 3.280 1.00 0.92 C ATOM 647 CD LYS A 40 6.572 -5.859 3.730 1.00 1.14 C ATOM 648 CE LYS A 40 6.600 -6.759 4.952 1.00 1.65 C ATOM 649 NZ LYS A 40 7.019 -6.024 6.177 1.00 1.97 N ATOM 0 H LYS A 40 2.927 -6.227 2.425 1.00 0.28 H new ATOM 0 HA LYS A 40 4.041 -4.845 0.075 1.00 0.31 H new ATOM 0 HB2 LYS A 40 6.140 -4.848 1.529 1.00 0.43 H new ATOM 0 HB3 LYS A 40 4.820 -3.835 2.078 1.00 0.43 H new ATOM 0 HG2 LYS A 40 4.648 -4.952 4.024 1.00 0.92 H new ATOM 0 HG3 LYS A 40 4.590 -6.506 3.215 1.00 0.92 H new ATOM 0 HD2 LYS A 40 7.123 -6.331 2.917 1.00 1.14 H new ATOM 0 HD3 LYS A 40 7.079 -4.921 3.956 1.00 1.14 H new ATOM 0 HE2 LYS A 40 5.611 -7.189 5.108 1.00 1.65 H new ATOM 0 HE3 LYS A 40 7.284 -7.589 4.775 1.00 1.65 H new ATOM 0 HZ1 LYS A 40 7.025 -6.675 6.988 1.00 1.97 H new ATOM 0 HZ2 LYS A 40 7.973 -5.635 6.039 1.00 1.97 H new ATOM 0 HZ3 LYS A 40 6.352 -5.248 6.361 1.00 1.97 H new ATOM 663 N ARG A 41 5.604 -6.667 -0.688 1.00 0.36 N ATOM 664 CA ARG A 41 6.284 -7.810 -1.272 1.00 0.40 C ATOM 665 C ARG A 41 7.790 -7.600 -1.259 1.00 0.41 C ATOM 666 O ARG A 41 8.314 -6.714 -1.943 1.00 0.43 O ATOM 667 CB ARG A 41 5.806 -8.068 -2.700 1.00 0.46 C ATOM 668 CG ARG A 41 6.266 -9.410 -3.246 1.00 0.58 C ATOM 669 CD ARG A 41 5.340 -9.921 -4.335 1.00 0.88 C ATOM 670 NE ARG A 41 4.471 -10.985 -3.847 1.00 0.95 N ATOM 671 CZ ARG A 41 3.517 -11.548 -4.576 1.00 1.13 C ATOM 672 NH1 ARG A 41 3.309 -11.151 -5.823 1.00 1.44 N ATOM 673 NH2 ARG A 41 2.770 -12.513 -4.057 1.00 1.44 N ATOM 0 H ARG A 41 5.764 -5.783 -1.172 1.00 0.36 H new ATOM 0 HA ARG A 41 6.042 -8.684 -0.667 1.00 0.40 H new ATOM 0 HB2 ARG A 41 4.717 -8.025 -2.726 1.00 0.46 H new ATOM 0 HB3 ARG A 41 6.172 -7.273 -3.349 1.00 0.46 H new ATOM 0 HG2 ARG A 41 7.277 -9.314 -3.643 1.00 0.58 H new ATOM 0 HG3 ARG A 41 6.310 -10.137 -2.435 1.00 0.58 H new ATOM 0 HD2 ARG A 41 4.732 -9.098 -4.712 1.00 0.88 H new ATOM 0 HD3 ARG A 41 5.932 -10.290 -5.173 1.00 0.88 H new ATOM 0 HE ARG A 41 4.604 -11.315 -2.891 1.00 0.95 H new ATOM 0 HH11 ARG A 41 3.884 -10.410 -6.225 1.00 1.44 H new ATOM 0 HH12 ARG A 41 2.574 -11.586 -6.381 1.00 1.44 H new ATOM 0 HH21 ARG A 41 2.929 -12.821 -3.098 1.00 1.44 H new ATOM 0 HH22 ARG A 41 2.036 -12.947 -4.617 1.00 1.44 H new ATOM 687 N ASP A 42 8.473 -8.429 -0.475 1.00 0.50 N ATOM 688 CA ASP A 42 9.923 -8.361 -0.357 1.00 0.57 C ATOM 689 C ASP A 42 10.568 -9.054 -1.550 1.00 0.62 C ATOM 690 O ASP A 42 10.781 -10.266 -1.534 1.00 0.91 O ATOM 691 CB ASP A 42 10.407 -9.019 0.945 1.00 0.71 C ATOM 692 CG ASP A 42 9.355 -9.037 2.042 1.00 0.93 C ATOM 693 OD1 ASP A 42 8.597 -8.050 2.156 1.00 1.59 O ATOM 694 OD2 ASP A 42 9.291 -10.039 2.785 1.00 1.49 O ATOM 0 H ASP A 42 8.041 -9.159 0.091 1.00 0.50 H new ATOM 0 HA ASP A 42 10.214 -7.311 -0.338 1.00 0.57 H new ATOM 0 HB2 ASP A 42 10.717 -10.042 0.732 1.00 0.71 H new ATOM 0 HB3 ASP A 42 11.288 -8.488 1.306 1.00 0.71 H new ATOM 699 N LEU A 43 10.869 -8.284 -2.583 1.00 0.63 N ATOM 700 CA LEU A 43 11.480 -8.833 -3.786 1.00 0.68 C ATOM 701 C LEU A 43 12.967 -9.113 -3.573 1.00 0.81 C ATOM 702 O LEU A 43 13.624 -8.441 -2.777 1.00 0.90 O ATOM 703 CB LEU A 43 11.286 -7.873 -4.960 1.00 0.62 C ATOM 704 CG LEU A 43 9.888 -7.262 -5.060 1.00 0.64 C ATOM 705 CD1 LEU A 43 9.911 -6.014 -5.922 1.00 0.80 C ATOM 706 CD2 LEU A 43 8.897 -8.272 -5.612 1.00 0.70 C ATOM 0 H LEU A 43 10.701 -7.278 -2.614 1.00 0.63 H new ATOM 0 HA LEU A 43 10.989 -9.779 -4.013 1.00 0.68 H new ATOM 0 HB2 LEU A 43 12.015 -7.067 -4.877 1.00 0.62 H new ATOM 0 HB3 LEU A 43 11.503 -8.405 -5.886 1.00 0.62 H new ATOM 0 HG LEU A 43 9.567 -6.982 -4.057 1.00 0.64 H new ATOM 0 HD11 LEU A 43 8.907 -5.594 -5.981 1.00 0.80 H new ATOM 0 HD12 LEU A 43 10.586 -5.280 -5.482 1.00 0.80 H new ATOM 0 HD13 LEU A 43 10.257 -6.270 -6.924 1.00 0.80 H new ATOM 0 HD21 LEU A 43 7.909 -7.816 -5.674 1.00 0.70 H new ATOM 0 HD22 LEU A 43 9.214 -8.587 -6.606 1.00 0.70 H new ATOM 0 HD23 LEU A 43 8.855 -9.139 -4.952 1.00 0.70 H new ATOM 718 N PRO A 44 13.524 -10.116 -4.282 1.00 0.92 N ATOM 719 CA PRO A 44 12.789 -10.939 -5.237 1.00 0.99 C ATOM 720 C PRO A 44 12.136 -12.163 -4.594 1.00 1.15 C ATOM 721 O PRO A 44 11.449 -12.931 -5.267 1.00 1.43 O ATOM 722 CB PRO A 44 13.871 -11.366 -6.232 1.00 1.15 C ATOM 723 CG PRO A 44 15.182 -11.234 -5.511 1.00 1.25 C ATOM 724 CD PRO A 44 14.930 -10.520 -4.203 1.00 1.08 C ATOM 0 HA PRO A 44 11.960 -10.393 -5.687 1.00 0.99 H new ATOM 0 HB2 PRO A 44 13.711 -12.392 -6.564 1.00 1.15 H new ATOM 0 HB3 PRO A 44 13.851 -10.737 -7.122 1.00 1.15 H new ATOM 0 HG2 PRO A 44 15.617 -12.217 -5.330 1.00 1.25 H new ATOM 0 HG3 PRO A 44 15.895 -10.676 -6.118 1.00 1.25 H new ATOM 0 HD2 PRO A 44 15.109 -11.175 -3.350 1.00 1.08 H new ATOM 0 HD3 PRO A 44 15.587 -9.658 -4.086 1.00 1.08 H new ATOM 732 N ASN A 45 12.352 -12.345 -3.292 1.00 1.14 N ATOM 733 CA ASN A 45 11.774 -13.479 -2.580 1.00 1.33 C ATOM 734 C ASN A 45 10.937 -13.011 -1.396 1.00 1.43 C ATOM 735 O ASN A 45 11.387 -13.047 -0.250 1.00 2.42 O ATOM 736 CB ASN A 45 12.876 -14.420 -2.099 1.00 1.66 C ATOM 737 CG ASN A 45 13.727 -14.941 -3.239 1.00 1.93 C ATOM 738 OD1 ASN A 45 13.444 -15.993 -3.812 1.00 2.66 O ATOM 739 ND2 ASN A 45 14.777 -14.202 -3.578 1.00 1.89 N ATOM 0 H ASN A 45 12.919 -11.725 -2.714 1.00 1.14 H new ATOM 0 HA ASN A 45 11.123 -14.015 -3.271 1.00 1.33 H new ATOM 0 HB2 ASN A 45 13.511 -13.896 -1.385 1.00 1.66 H new ATOM 0 HB3 ASN A 45 12.427 -15.261 -1.570 1.00 1.66 H new ATOM 0 HD21 ASN A 45 15.386 -14.500 -4.340 1.00 1.89 H new ATOM 0 HD22 ASN A 45 14.975 -13.336 -3.076 1.00 1.89 H new ATOM 746 N GLY A 46 9.715 -12.574 -1.680 1.00 0.90 N ATOM 747 CA GLY A 46 8.830 -12.107 -0.629 1.00 1.12 C ATOM 748 C GLY A 46 7.387 -12.498 -0.874 1.00 0.76 C ATOM 749 O GLY A 46 7.101 -13.340 -1.725 1.00 0.96 O ATOM 0 H GLY A 46 9.321 -12.535 -2.620 1.00 0.90 H new ATOM 0 HA2 GLY A 46 9.157 -12.516 0.327 1.00 1.12 H new ATOM 0 HA3 GLY A 46 8.902 -11.022 -0.552 1.00 1.12 H new ATOM 753 N ARG A 47 6.477 -11.882 -0.130 1.00 0.80 N ATOM 754 CA ARG A 47 5.052 -12.166 -0.273 1.00 0.76 C ATOM 755 C ARG A 47 4.213 -11.011 0.253 1.00 0.85 C ATOM 756 O ARG A 47 4.632 -10.284 1.152 1.00 1.71 O ATOM 757 CB ARG A 47 4.664 -13.457 0.456 1.00 0.99 C ATOM 758 CG ARG A 47 5.589 -13.830 1.600 1.00 1.31 C ATOM 759 CD ARG A 47 5.640 -12.740 2.657 1.00 1.11 C ATOM 760 NE ARG A 47 6.404 -13.149 3.833 1.00 1.41 N ATOM 761 CZ ARG A 47 6.950 -12.292 4.690 1.00 1.71 C ATOM 762 NH1 ARG A 47 6.812 -10.987 4.502 1.00 2.41 N ATOM 763 NH2 ARG A 47 7.633 -12.737 5.736 1.00 2.03 N ATOM 0 H ARG A 47 6.699 -11.183 0.579 1.00 0.80 H new ATOM 0 HA ARG A 47 4.854 -12.295 -1.337 1.00 0.76 H new ATOM 0 HB2 ARG A 47 3.651 -13.351 0.843 1.00 0.99 H new ATOM 0 HB3 ARG A 47 4.647 -14.276 -0.263 1.00 0.99 H new ATOM 0 HG2 ARG A 47 5.250 -14.762 2.053 1.00 1.31 H new ATOM 0 HG3 ARG A 47 6.592 -14.010 1.214 1.00 1.31 H new ATOM 0 HD2 ARG A 47 6.086 -11.842 2.230 1.00 1.11 H new ATOM 0 HD3 ARG A 47 4.625 -12.479 2.957 1.00 1.11 H new ATOM 0 HE ARG A 47 6.525 -14.147 4.006 1.00 1.41 H new ATOM 0 HH11 ARG A 47 6.287 -10.640 3.699 1.00 2.41 H new ATOM 0 HH12 ARG A 47 7.231 -10.330 5.160 1.00 2.41 H new ATOM 0 HH21 ARG A 47 7.741 -13.740 5.885 1.00 2.03 H new ATOM 0 HH22 ARG A 47 8.050 -12.076 6.391 1.00 2.03 H new ATOM 777 N TRP A 48 3.025 -10.852 -0.316 1.00 0.50 N ATOM 778 CA TRP A 48 2.122 -9.793 0.087 1.00 0.43 C ATOM 779 C TRP A 48 1.678 -9.994 1.532 1.00 0.45 C ATOM 780 O TRP A 48 1.024 -10.984 1.855 1.00 0.65 O ATOM 781 CB TRP A 48 0.897 -9.740 -0.826 1.00 0.47 C ATOM 782 CG TRP A 48 1.229 -9.512 -2.268 1.00 0.45 C ATOM 783 CD1 TRP A 48 0.931 -10.337 -3.311 1.00 0.52 C ATOM 784 CD2 TRP A 48 1.920 -8.388 -2.831 1.00 0.39 C ATOM 785 NE1 TRP A 48 1.391 -9.797 -4.485 1.00 0.50 N ATOM 786 CE2 TRP A 48 2.002 -8.601 -4.218 1.00 0.42 C ATOM 787 CE3 TRP A 48 2.474 -7.221 -2.299 1.00 0.36 C ATOM 788 CZ2 TRP A 48 2.619 -7.694 -5.076 1.00 0.41 C ATOM 789 CZ3 TRP A 48 3.084 -6.322 -3.150 1.00 0.36 C ATOM 790 CH2 TRP A 48 3.152 -6.562 -4.524 1.00 0.38 C ATOM 0 H TRP A 48 2.667 -11.449 -1.062 1.00 0.50 H new ATOM 0 HA TRP A 48 2.658 -8.847 0.005 1.00 0.43 H new ATOM 0 HB2 TRP A 48 0.345 -10.675 -0.733 1.00 0.47 H new ATOM 0 HB3 TRP A 48 0.235 -8.944 -0.485 1.00 0.47 H new ATOM 0 HD1 TRP A 48 0.409 -11.279 -3.226 1.00 0.52 H new ATOM 0 HE1 TRP A 48 1.294 -10.219 -5.409 1.00 0.50 H new ATOM 0 HE3 TRP A 48 2.426 -7.025 -1.238 1.00 0.36 H new ATOM 0 HZ2 TRP A 48 2.675 -7.878 -6.139 1.00 0.41 H new ATOM 0 HZ3 TRP A 48 3.516 -5.418 -2.747 1.00 0.36 H new ATOM 0 HH2 TRP A 48 3.635 -5.839 -5.164 1.00 0.38 H new ATOM 801 N LEU A 49 2.031 -9.055 2.399 1.00 0.38 N ATOM 802 CA LEU A 49 1.660 -9.148 3.804 1.00 0.42 C ATOM 803 C LEU A 49 1.363 -7.772 4.388 1.00 0.36 C ATOM 804 O LEU A 49 2.087 -6.809 4.134 1.00 0.39 O ATOM 805 CB LEU A 49 2.776 -9.832 4.591 1.00 0.52 C ATOM 806 CG LEU A 49 2.403 -11.188 5.189 1.00 0.67 C ATOM 807 CD1 LEU A 49 1.185 -11.057 6.091 1.00 1.28 C ATOM 808 CD2 LEU A 49 2.143 -12.199 4.083 1.00 0.84 C ATOM 0 H LEU A 49 2.571 -8.224 2.156 1.00 0.38 H new ATOM 0 HA LEU A 49 0.751 -9.745 3.880 1.00 0.42 H new ATOM 0 HB2 LEU A 49 3.635 -9.965 3.934 1.00 0.52 H new ATOM 0 HB3 LEU A 49 3.091 -9.170 5.397 1.00 0.52 H new ATOM 0 HG LEU A 49 3.239 -11.542 5.793 1.00 0.67 H new ATOM 0 HD11 LEU A 49 0.934 -12.032 6.508 1.00 1.28 H new ATOM 0 HD12 LEU A 49 1.405 -10.362 6.901 1.00 1.28 H new ATOM 0 HD13 LEU A 49 0.341 -10.682 5.511 1.00 1.28 H new ATOM 0 HD21 LEU A 49 1.878 -13.160 4.524 1.00 0.84 H new ATOM 0 HD22 LEU A 49 1.323 -11.849 3.456 1.00 0.84 H new ATOM 0 HD23 LEU A 49 3.041 -12.313 3.476 1.00 0.84 H new ATOM 820 N LYS A 50 0.288 -7.687 5.170 1.00 0.40 N ATOM 821 CA LYS A 50 -0.118 -6.428 5.793 1.00 0.40 C ATOM 822 C LYS A 50 1.077 -5.699 6.399 1.00 0.47 C ATOM 823 O LYS A 50 1.642 -6.136 7.403 1.00 0.85 O ATOM 824 CB LYS A 50 -1.168 -6.684 6.876 1.00 0.59 C ATOM 825 CG LYS A 50 -2.431 -7.350 6.357 1.00 0.72 C ATOM 826 CD LYS A 50 -3.394 -7.681 7.488 1.00 1.03 C ATOM 827 CE LYS A 50 -3.690 -6.460 8.346 1.00 0.86 C ATOM 828 NZ LYS A 50 -4.757 -6.733 9.350 1.00 1.30 N ATOM 0 H LYS A 50 -0.319 -8.477 5.388 1.00 0.40 H new ATOM 0 HA LYS A 50 -0.548 -5.797 5.015 1.00 0.40 H new ATOM 0 HB2 LYS A 50 -0.730 -7.311 7.653 1.00 0.59 H new ATOM 0 HB3 LYS A 50 -1.434 -5.736 7.343 1.00 0.59 H new ATOM 0 HG2 LYS A 50 -2.922 -6.692 5.641 1.00 0.72 H new ATOM 0 HG3 LYS A 50 -2.169 -8.263 5.823 1.00 0.72 H new ATOM 0 HD2 LYS A 50 -4.324 -8.069 7.073 1.00 1.03 H new ATOM 0 HD3 LYS A 50 -2.969 -8.469 8.110 1.00 1.03 H new ATOM 0 HE2 LYS A 50 -2.780 -6.147 8.859 1.00 0.86 H new ATOM 0 HE3 LYS A 50 -3.996 -5.632 7.706 1.00 0.86 H new ATOM 0 HZ1 LYS A 50 -4.930 -5.877 9.915 1.00 1.30 H new ATOM 0 HZ2 LYS A 50 -5.633 -7.007 8.860 1.00 1.30 H new ATOM 0 HZ3 LYS A 50 -4.454 -7.506 9.977 1.00 1.30 H new ATOM 842 N ALA A 51 1.453 -4.584 5.784 1.00 0.45 N ATOM 843 CA ALA A 51 2.577 -3.791 6.262 1.00 0.63 C ATOM 844 C ALA A 51 2.130 -2.832 7.356 1.00 0.55 C ATOM 845 O ALA A 51 2.855 -2.591 8.323 1.00 0.72 O ATOM 846 CB ALA A 51 3.206 -3.023 5.111 1.00 0.86 C ATOM 0 H ALA A 51 0.995 -4.209 4.953 1.00 0.45 H new ATOM 0 HA ALA A 51 3.322 -4.467 6.681 1.00 0.63 H new ATOM 0 HB1 ALA A 51 4.045 -2.434 5.482 1.00 0.86 H new ATOM 0 HB2 ALA A 51 3.561 -3.725 4.356 1.00 0.86 H new ATOM 0 HB3 ALA A 51 2.464 -2.358 4.668 1.00 0.86 H new ATOM 852 N ASN A 52 0.929 -2.290 7.198 1.00 0.42 N ATOM 853 CA ASN A 52 0.377 -1.358 8.173 1.00 0.43 C ATOM 854 C ASN A 52 -0.250 -2.115 9.339 1.00 0.59 C ATOM 855 O ASN A 52 -0.268 -3.346 9.353 1.00 1.60 O ATOM 856 CB ASN A 52 -0.668 -0.457 7.514 1.00 0.38 C ATOM 857 CG ASN A 52 -1.850 -1.239 6.978 1.00 0.96 C ATOM 858 OD1 ASN A 52 -1.743 -1.939 5.970 1.00 2.01 O ATOM 859 ND2 ASN A 52 -2.988 -1.123 7.652 1.00 0.62 N ATOM 0 H ASN A 52 0.318 -2.480 6.403 1.00 0.42 H new ATOM 0 HA ASN A 52 1.189 -0.738 8.553 1.00 0.43 H new ATOM 0 HB2 ASN A 52 -1.020 0.277 8.239 1.00 0.38 H new ATOM 0 HB3 ASN A 52 -0.203 0.098 6.699 1.00 0.38 H new ATOM 0 HD21 ASN A 52 -3.819 -1.625 7.340 1.00 0.62 H new ATOM 0 HD22 ASN A 52 -3.031 -0.532 8.482 1.00 0.62 H new ATOM 866 N PHE A 53 -0.765 -1.374 10.313 1.00 0.81 N ATOM 867 CA PHE A 53 -1.394 -1.982 11.480 1.00 0.82 C ATOM 868 C PHE A 53 -1.878 -0.917 12.458 1.00 0.84 C ATOM 869 O PHE A 53 -1.809 -1.103 13.673 1.00 1.20 O ATOM 870 CB PHE A 53 -0.414 -2.918 12.186 1.00 0.96 C ATOM 871 CG PHE A 53 -1.084 -4.087 12.846 1.00 1.15 C ATOM 872 CD1 PHE A 53 -1.989 -4.863 12.142 1.00 1.32 C ATOM 873 CD2 PHE A 53 -0.814 -4.407 14.167 1.00 1.68 C ATOM 874 CE1 PHE A 53 -2.613 -5.938 12.742 1.00 1.66 C ATOM 875 CE2 PHE A 53 -1.436 -5.483 14.772 1.00 2.08 C ATOM 876 CZ PHE A 53 -2.336 -6.250 14.059 1.00 1.96 C ATOM 0 H PHE A 53 -0.760 -0.354 10.318 1.00 0.81 H new ATOM 0 HA PHE A 53 -2.255 -2.555 11.134 1.00 0.82 H new ATOM 0 HB2 PHE A 53 0.313 -3.286 11.462 1.00 0.96 H new ATOM 0 HB3 PHE A 53 0.140 -2.354 12.936 1.00 0.96 H new ATOM 0 HD1 PHE A 53 -2.209 -4.625 11.112 1.00 1.32 H new ATOM 0 HD2 PHE A 53 -0.111 -3.810 14.729 1.00 1.68 H new ATOM 0 HE1 PHE A 53 -3.318 -6.535 12.182 1.00 1.66 H new ATOM 0 HE2 PHE A 53 -1.218 -5.724 15.802 1.00 2.08 H new ATOM 0 HZ PHE A 53 -2.822 -7.092 14.530 1.00 1.96 H new ATOM 886 N SER A 54 -2.366 0.198 11.927 1.00 0.79 N ATOM 887 CA SER A 54 -2.856 1.284 12.768 1.00 0.89 C ATOM 888 C SER A 54 -4.010 2.024 12.100 1.00 0.95 C ATOM 889 O SER A 54 -4.182 3.226 12.294 1.00 1.89 O ATOM 890 CB SER A 54 -1.724 2.264 13.086 1.00 1.00 C ATOM 891 OG SER A 54 -1.814 2.729 14.421 1.00 1.71 O ATOM 0 H SER A 54 -2.433 0.374 10.924 1.00 0.79 H new ATOM 0 HA SER A 54 -3.223 0.846 13.696 1.00 0.89 H new ATOM 0 HB2 SER A 54 -0.762 1.776 12.931 1.00 1.00 H new ATOM 0 HB3 SER A 54 -1.767 3.109 12.399 1.00 1.00 H new ATOM 0 HG SER A 54 -1.079 3.352 14.601 1.00 1.71 H new ATOM 897 N ASN A 55 -4.800 1.298 11.316 1.00 0.75 N ATOM 898 CA ASN A 55 -5.939 1.889 10.624 1.00 0.69 C ATOM 899 C ASN A 55 -5.486 2.991 9.669 1.00 0.66 C ATOM 900 O ASN A 55 -4.854 3.964 10.080 1.00 1.05 O ATOM 901 CB ASN A 55 -6.942 2.450 11.634 1.00 0.84 C ATOM 902 CG ASN A 55 -8.354 1.962 11.379 1.00 1.11 C ATOM 903 OD1 ASN A 55 -8.910 2.330 10.230 1.00 1.87 O flip ATOM 904 ND2 ASN A 55 -8.939 1.260 12.204 1.00 0.83 N flip ATOM 0 H ASN A 55 -4.673 0.301 11.144 1.00 0.75 H new ATOM 0 HA ASN A 55 -6.423 1.106 10.040 1.00 0.69 H new ATOM 0 HB2 ASN A 55 -6.638 2.164 12.641 1.00 0.84 H new ATOM 0 HB3 ASN A 55 -6.924 3.539 11.593 1.00 0.84 H new ATOM 0 HD21 ASN A 55 -8.474 1.001 13.074 1.00 0.83 H new ATOM 0 HD22 ASN A 55 -9.889 0.938 12.017 1.00 0.83 H new ATOM 911 N ILE A 56 -5.811 2.825 8.393 1.00 0.40 N ATOM 912 CA ILE A 56 -5.438 3.796 7.373 1.00 0.33 C ATOM 913 C ILE A 56 -6.672 4.435 6.747 1.00 0.31 C ATOM 914 O ILE A 56 -7.066 4.085 5.634 1.00 0.53 O ATOM 915 CB ILE A 56 -4.599 3.130 6.270 1.00 0.32 C ATOM 916 CG1 ILE A 56 -3.447 2.338 6.890 1.00 0.43 C ATOM 917 CG2 ILE A 56 -4.078 4.171 5.291 1.00 0.28 C ATOM 918 CD1 ILE A 56 -2.514 1.721 5.873 1.00 0.69 C ATOM 0 H ILE A 56 -6.334 2.024 8.039 1.00 0.40 H new ATOM 0 HA ILE A 56 -4.846 4.571 7.860 1.00 0.33 H new ATOM 0 HB ILE A 56 -5.234 2.438 5.717 1.00 0.32 H new ATOM 0 HG12 ILE A 56 -2.874 2.998 7.542 1.00 0.43 H new ATOM 0 HG13 ILE A 56 -3.858 1.548 7.518 1.00 0.43 H new ATOM 0 HG21 ILE A 56 -3.487 3.680 4.518 1.00 0.28 H new ATOM 0 HG22 ILE A 56 -4.919 4.690 4.830 1.00 0.28 H new ATOM 0 HG23 ILE A 56 -3.455 4.890 5.822 1.00 0.28 H new ATOM 0 HD11 ILE A 56 -1.723 1.176 6.388 1.00 0.69 H new ATOM 0 HD12 ILE A 56 -3.072 1.035 5.236 1.00 0.69 H new ATOM 0 HD13 ILE A 56 -2.073 2.507 5.260 1.00 0.69 H new ATOM 930 N LEU A 57 -7.282 5.368 7.468 1.00 0.44 N ATOM 931 CA LEU A 57 -8.476 6.052 6.982 1.00 0.45 C ATOM 932 C LEU A 57 -8.205 6.785 5.669 1.00 0.42 C ATOM 933 O LEU A 57 -8.755 6.426 4.628 1.00 0.60 O ATOM 934 CB LEU A 57 -8.994 7.032 8.037 1.00 0.48 C ATOM 935 CG LEU A 57 -10.388 6.715 8.578 1.00 0.85 C ATOM 936 CD1 LEU A 57 -10.890 7.851 9.456 1.00 1.60 C ATOM 937 CD2 LEU A 57 -11.357 6.450 7.435 1.00 0.72 C ATOM 0 H LEU A 57 -6.970 5.669 8.391 1.00 0.44 H new ATOM 0 HA LEU A 57 -9.238 5.296 6.793 1.00 0.45 H new ATOM 0 HB2 LEU A 57 -8.292 7.051 8.871 1.00 0.48 H new ATOM 0 HB3 LEU A 57 -9.006 8.034 7.607 1.00 0.48 H new ATOM 0 HG LEU A 57 -10.325 5.814 9.188 1.00 0.85 H new ATOM 0 HD11 LEU A 57 -11.884 7.608 9.832 1.00 1.60 H new ATOM 0 HD12 LEU A 57 -10.208 7.991 10.295 1.00 1.60 H new ATOM 0 HD13 LEU A 57 -10.938 8.769 8.871 1.00 1.60 H new ATOM 0 HD21 LEU A 57 -12.344 6.226 7.839 1.00 0.72 H new ATOM 0 HD22 LEU A 57 -11.418 7.332 6.797 1.00 0.72 H new ATOM 0 HD23 LEU A 57 -11.004 5.602 6.848 1.00 0.72 H new ATOM 949 N GLU A 58 -7.361 7.813 5.721 1.00 0.39 N ATOM 950 CA GLU A 58 -7.031 8.586 4.534 1.00 0.43 C ATOM 951 C GLU A 58 -6.260 7.735 3.536 1.00 0.51 C ATOM 952 O GLU A 58 -5.808 6.636 3.859 1.00 1.09 O ATOM 953 CB GLU A 58 -6.211 9.821 4.917 1.00 0.44 C ATOM 954 CG GLU A 58 -5.021 9.507 5.808 1.00 0.44 C ATOM 955 CD GLU A 58 -5.152 10.119 7.190 1.00 0.75 C ATOM 956 OE1 GLU A 58 -5.169 11.364 7.289 1.00 1.29 O ATOM 957 OE2 GLU A 58 -5.238 9.353 8.171 1.00 1.54 O ATOM 0 H GLU A 58 -6.896 8.127 6.573 1.00 0.39 H new ATOM 0 HA GLU A 58 -7.961 8.910 4.066 1.00 0.43 H new ATOM 0 HB2 GLU A 58 -5.856 10.307 4.008 1.00 0.44 H new ATOM 0 HB3 GLU A 58 -6.859 10.533 5.428 1.00 0.44 H new ATOM 0 HG2 GLU A 58 -4.916 8.426 5.901 1.00 0.44 H new ATOM 0 HG3 GLU A 58 -4.110 9.876 5.336 1.00 0.44 H new ATOM 964 N ASN A 59 -6.114 8.248 2.324 1.00 0.31 N ATOM 965 CA ASN A 59 -5.395 7.528 1.281 1.00 0.28 C ATOM 966 C ASN A 59 -3.893 7.808 1.343 1.00 0.28 C ATOM 967 O ASN A 59 -3.146 7.402 0.454 1.00 0.49 O ATOM 968 CB ASN A 59 -5.925 7.899 -0.105 1.00 0.32 C ATOM 969 CG ASN A 59 -7.427 8.102 -0.124 1.00 0.86 C ATOM 970 OD1 ASN A 59 -7.874 9.159 -0.792 1.00 1.75 O flip ATOM 971 ND2 ASN A 59 -8.178 7.316 0.451 1.00 0.91 N flip ATOM 0 H ASN A 59 -6.481 9.156 2.038 1.00 0.31 H new ATOM 0 HA ASN A 59 -5.560 6.465 1.454 1.00 0.28 H new ATOM 0 HB2 ASN A 59 -5.435 8.812 -0.444 1.00 0.32 H new ATOM 0 HB3 ASN A 59 -5.660 7.113 -0.813 1.00 0.32 H new ATOM 0 HD21 ASN A 59 -7.792 6.516 0.953 1.00 0.91 H new ATOM 0 HD22 ASN A 59 -9.187 7.464 0.426 1.00 0.91 H new ATOM 978 N GLU A 60 -3.451 8.498 2.394 1.00 0.29 N ATOM 979 CA GLU A 60 -2.038 8.816 2.552 1.00 0.29 C ATOM 980 C GLU A 60 -1.441 8.016 3.699 1.00 0.27 C ATOM 981 O GLU A 60 -1.667 8.329 4.868 1.00 0.35 O ATOM 982 CB GLU A 60 -1.853 10.313 2.809 1.00 0.34 C ATOM 983 CG GLU A 60 -0.399 10.754 2.822 1.00 0.49 C ATOM 984 CD GLU A 60 -0.149 11.959 1.937 1.00 1.26 C ATOM 985 OE1 GLU A 60 -0.654 11.971 0.795 1.00 1.91 O ATOM 986 OE2 GLU A 60 0.551 12.891 2.386 1.00 2.05 O ATOM 0 H GLU A 60 -4.050 8.845 3.143 1.00 0.29 H new ATOM 0 HA GLU A 60 -1.521 8.551 1.630 1.00 0.29 H new ATOM 0 HB2 GLU A 60 -2.387 10.873 2.041 1.00 0.34 H new ATOM 0 HB3 GLU A 60 -2.310 10.568 3.765 1.00 0.34 H new ATOM 0 HG2 GLU A 60 -0.104 10.991 3.844 1.00 0.49 H new ATOM 0 HG3 GLU A 60 0.231 9.928 2.492 1.00 0.49 H new ATOM 993 N PHE A 61 -0.682 6.978 3.365 1.00 0.24 N ATOM 994 CA PHE A 61 -0.068 6.140 4.384 1.00 0.24 C ATOM 995 C PHE A 61 1.388 5.838 4.061 1.00 0.24 C ATOM 996 O PHE A 61 1.836 6.006 2.926 1.00 0.25 O ATOM 997 CB PHE A 61 -0.849 4.834 4.534 1.00 0.28 C ATOM 998 CG PHE A 61 -0.229 3.881 5.513 1.00 0.33 C ATOM 999 CD1 PHE A 61 -0.571 3.923 6.855 1.00 0.41 C ATOM 1000 CD2 PHE A 61 0.695 2.939 5.089 1.00 0.37 C ATOM 1001 CE1 PHE A 61 -0.004 3.045 7.754 1.00 0.48 C ATOM 1002 CE2 PHE A 61 1.266 2.057 5.986 1.00 0.44 C ATOM 1003 CZ PHE A 61 0.922 2.123 7.329 1.00 0.48 C ATOM 0 H PHE A 61 -0.479 6.700 2.405 1.00 0.24 H new ATOM 0 HA PHE A 61 -0.096 6.690 5.324 1.00 0.24 H new ATOM 0 HB2 PHE A 61 -1.866 5.062 4.853 1.00 0.28 H new ATOM 0 HB3 PHE A 61 -0.922 4.348 3.561 1.00 0.28 H new ATOM 0 HD1 PHE A 61 -1.290 4.651 7.201 1.00 0.41 H new ATOM 0 HD2 PHE A 61 0.972 2.894 4.046 1.00 0.37 H new ATOM 0 HE1 PHE A 61 -0.288 3.082 8.795 1.00 0.48 H new ATOM 0 HE2 PHE A 61 1.977 1.319 5.644 1.00 0.44 H new ATOM 0 HZ PHE A 61 1.381 1.451 8.039 1.00 0.48 H new ATOM 1013 N THR A 62 2.121 5.388 5.075 1.00 0.25 N ATOM 1014 CA THR A 62 3.526 5.057 4.916 1.00 0.27 C ATOM 1015 C THR A 62 3.800 3.620 5.316 1.00 0.29 C ATOM 1016 O THR A 62 3.622 3.241 6.473 1.00 0.35 O ATOM 1017 CB THR A 62 4.399 5.979 5.759 1.00 0.33 C ATOM 1018 OG1 THR A 62 4.008 7.332 5.609 1.00 0.42 O ATOM 1019 CG2 THR A 62 5.870 5.873 5.420 1.00 0.37 C ATOM 0 H THR A 62 1.760 5.245 6.018 1.00 0.25 H new ATOM 0 HA THR A 62 3.770 5.187 3.862 1.00 0.27 H new ATOM 0 HB THR A 62 4.255 5.652 6.789 1.00 0.33 H new ATOM 0 HG1 THR A 62 4.582 7.767 4.944 1.00 0.42 H new ATOM 0 HG21 THR A 62 6.439 6.553 6.053 1.00 0.37 H new ATOM 0 HG22 THR A 62 6.209 4.851 5.588 1.00 0.37 H new ATOM 0 HG23 THR A 62 6.022 6.138 4.374 1.00 0.37 H new ATOM 1027 N VAL A 63 4.245 2.826 4.358 1.00 0.31 N ATOM 1028 CA VAL A 63 4.553 1.437 4.619 1.00 0.36 C ATOM 1029 C VAL A 63 5.950 1.290 5.197 1.00 0.38 C ATOM 1030 O VAL A 63 6.947 1.352 4.475 1.00 0.50 O ATOM 1031 CB VAL A 63 4.443 0.586 3.347 1.00 0.44 C ATOM 1032 CG1 VAL A 63 4.701 -0.873 3.672 1.00 1.08 C ATOM 1033 CG2 VAL A 63 3.076 0.770 2.705 1.00 0.58 C ATOM 0 H VAL A 63 4.400 3.122 3.394 1.00 0.31 H new ATOM 0 HA VAL A 63 3.821 1.081 5.344 1.00 0.36 H new ATOM 0 HB VAL A 63 5.198 0.915 2.633 1.00 0.44 H new ATOM 0 HG11 VAL A 63 4.620 -1.468 2.762 1.00 1.08 H new ATOM 0 HG12 VAL A 63 5.702 -0.981 4.089 1.00 1.08 H new ATOM 0 HG13 VAL A 63 3.966 -1.219 4.398 1.00 1.08 H new ATOM 0 HG21 VAL A 63 3.012 0.160 1.804 1.00 0.58 H new ATOM 0 HG22 VAL A 63 2.300 0.463 3.406 1.00 0.58 H new ATOM 0 HG23 VAL A 63 2.935 1.819 2.444 1.00 0.58 H new ATOM 1043 N SER A 64 6.018 1.096 6.506 1.00 0.49 N ATOM 1044 CA SER A 64 7.294 0.938 7.178 1.00 0.55 C ATOM 1045 C SER A 64 7.658 -0.529 7.316 1.00 0.63 C ATOM 1046 O SER A 64 6.815 -1.414 7.175 1.00 0.99 O ATOM 1047 CB SER A 64 7.271 1.596 8.554 1.00 0.63 C ATOM 1048 OG SER A 64 6.039 1.368 9.214 1.00 1.33 O ATOM 0 H SER A 64 5.205 1.045 7.120 1.00 0.49 H new ATOM 0 HA SER A 64 8.050 1.430 6.566 1.00 0.55 H new ATOM 0 HB2 SER A 64 8.088 1.205 9.160 1.00 0.63 H new ATOM 0 HB3 SER A 64 7.437 2.668 8.449 1.00 0.63 H new ATOM 0 HG SER A 64 6.054 1.800 10.094 1.00 1.33 H new ATOM 1054 N GLY A 65 8.929 -0.765 7.584 1.00 0.71 N ATOM 1055 CA GLY A 65 9.431 -2.116 7.733 1.00 0.78 C ATOM 1056 C GLY A 65 10.362 -2.504 6.600 1.00 0.72 C ATOM 1057 O GLY A 65 10.772 -3.659 6.491 1.00 0.90 O ATOM 0 H GLY A 65 9.633 -0.036 7.703 1.00 0.71 H new ATOM 0 HA2 GLY A 65 9.959 -2.204 8.682 1.00 0.78 H new ATOM 0 HA3 GLY A 65 8.593 -2.812 7.769 1.00 0.78 H new ATOM 1061 N LEU A 66 10.694 -1.534 5.751 1.00 0.64 N ATOM 1062 CA LEU A 66 11.575 -1.768 4.623 1.00 0.65 C ATOM 1063 C LEU A 66 12.892 -2.388 5.065 1.00 0.59 C ATOM 1064 O LEU A 66 13.208 -2.437 6.254 1.00 0.65 O ATOM 1065 CB LEU A 66 11.855 -0.450 3.906 1.00 0.74 C ATOM 1066 CG LEU A 66 10.758 0.025 2.954 1.00 0.89 C ATOM 1067 CD1 LEU A 66 10.585 -0.959 1.807 1.00 1.47 C ATOM 1068 CD2 LEU A 66 9.444 0.233 3.690 1.00 0.89 C ATOM 0 H LEU A 66 10.360 -0.573 5.829 1.00 0.64 H new ATOM 0 HA LEU A 66 11.077 -2.464 3.948 1.00 0.65 H new ATOM 0 HB2 LEU A 66 12.022 0.323 4.656 1.00 0.74 H new ATOM 0 HB3 LEU A 66 12.782 -0.553 3.342 1.00 0.74 H new ATOM 0 HG LEU A 66 11.063 0.986 2.541 1.00 0.89 H new ATOM 0 HD11 LEU A 66 9.800 -0.605 1.139 1.00 1.47 H new ATOM 0 HD12 LEU A 66 11.521 -1.042 1.255 1.00 1.47 H new ATOM 0 HD13 LEU A 66 10.310 -1.936 2.204 1.00 1.47 H new ATOM 0 HD21 LEU A 66 8.683 0.571 2.987 1.00 0.89 H new ATOM 0 HD22 LEU A 66 9.128 -0.707 4.143 1.00 0.89 H new ATOM 0 HD23 LEU A 66 9.578 0.984 4.468 1.00 0.89 H new ATOM 1080 N THR A 67 13.656 -2.847 4.087 1.00 0.65 N ATOM 1081 CA THR A 67 14.952 -3.454 4.335 1.00 0.69 C ATOM 1082 C THR A 67 15.938 -2.983 3.277 1.00 0.72 C ATOM 1083 O THR A 67 15.953 -3.497 2.158 1.00 1.06 O ATOM 1084 CB THR A 67 14.848 -4.979 4.324 1.00 0.75 C ATOM 1085 OG1 THR A 67 13.666 -5.405 4.976 1.00 0.96 O ATOM 1086 CG2 THR A 67 16.017 -5.658 5.002 1.00 0.99 C ATOM 0 H THR A 67 13.395 -2.809 3.102 1.00 0.65 H new ATOM 0 HA THR A 67 15.304 -3.149 5.321 1.00 0.69 H new ATOM 0 HB THR A 67 14.841 -5.264 3.272 1.00 0.75 H new ATOM 0 HG1 THR A 67 13.019 -5.717 4.309 1.00 0.96 H new ATOM 0 HG21 THR A 67 15.884 -6.739 4.961 1.00 0.99 H new ATOM 0 HG22 THR A 67 16.941 -5.387 4.492 1.00 0.99 H new ATOM 0 HG23 THR A 67 16.070 -5.338 6.043 1.00 0.99 H new ATOM 1094 N GLU A 68 16.746 -1.989 3.635 1.00 0.66 N ATOM 1095 CA GLU A 68 17.733 -1.414 2.721 1.00 0.67 C ATOM 1096 C GLU A 68 18.379 -2.466 1.821 1.00 0.60 C ATOM 1097 O GLU A 68 18.697 -3.570 2.264 1.00 0.69 O ATOM 1098 CB GLU A 68 18.812 -0.666 3.505 1.00 0.76 C ATOM 1099 CG GLU A 68 19.610 0.310 2.658 1.00 0.96 C ATOM 1100 CD GLU A 68 21.019 -0.177 2.381 1.00 1.32 C ATOM 1101 OE1 GLU A 68 21.756 -0.446 3.353 1.00 1.91 O ATOM 1102 OE2 GLU A 68 21.386 -0.290 1.193 1.00 1.89 O ATOM 0 H GLU A 68 16.737 -1.560 4.561 1.00 0.66 H new ATOM 0 HA GLU A 68 17.199 -0.717 2.076 1.00 0.67 H new ATOM 0 HB2 GLU A 68 18.343 -0.123 4.326 1.00 0.76 H new ATOM 0 HB3 GLU A 68 19.494 -1.390 3.950 1.00 0.76 H new ATOM 0 HG2 GLU A 68 19.093 0.472 1.712 1.00 0.96 H new ATOM 0 HG3 GLU A 68 19.656 1.273 3.166 1.00 0.96 H new ATOM 1109 N ASP A 69 18.567 -2.105 0.552 1.00 0.52 N ATOM 1110 CA ASP A 69 19.173 -3.002 -0.429 1.00 0.49 C ATOM 1111 C ASP A 69 18.177 -4.066 -0.879 1.00 0.44 C ATOM 1112 O ASP A 69 18.526 -5.238 -1.013 1.00 0.54 O ATOM 1113 CB ASP A 69 20.424 -3.668 0.151 1.00 0.59 C ATOM 1114 CG ASP A 69 21.494 -3.902 -0.899 1.00 1.06 C ATOM 1115 OD1 ASP A 69 21.148 -4.368 -2.005 1.00 1.87 O ATOM 1116 OD2 ASP A 69 22.677 -3.618 -0.614 1.00 1.66 O ATOM 0 H ASP A 69 18.306 -1.192 0.179 1.00 0.52 H new ATOM 0 HA ASP A 69 19.461 -2.407 -1.296 1.00 0.49 H new ATOM 0 HB2 ASP A 69 20.830 -3.043 0.946 1.00 0.59 H new ATOM 0 HB3 ASP A 69 20.149 -4.620 0.604 1.00 0.59 H new ATOM 1121 N ALA A 70 16.935 -3.651 -1.112 1.00 0.40 N ATOM 1122 CA ALA A 70 15.895 -4.576 -1.546 1.00 0.40 C ATOM 1123 C ALA A 70 14.661 -3.836 -2.043 1.00 0.35 C ATOM 1124 O ALA A 70 14.084 -3.021 -1.322 1.00 0.36 O ATOM 1125 CB ALA A 70 15.513 -5.506 -0.405 1.00 0.49 C ATOM 0 H ALA A 70 16.626 -2.685 -1.008 1.00 0.40 H new ATOM 0 HA ALA A 70 16.295 -5.161 -2.374 1.00 0.40 H new ATOM 0 HB1 ALA A 70 14.736 -6.193 -0.740 1.00 0.49 H new ATOM 0 HB2 ALA A 70 16.388 -6.074 -0.090 1.00 0.49 H new ATOM 0 HB3 ALA A 70 15.141 -4.918 0.434 1.00 0.49 H new ATOM 1131 N ALA A 71 14.251 -4.128 -3.273 1.00 0.33 N ATOM 1132 CA ALA A 71 13.075 -3.492 -3.847 1.00 0.30 C ATOM 1133 C ALA A 71 11.822 -3.972 -3.128 1.00 0.27 C ATOM 1134 O ALA A 71 11.693 -5.156 -2.817 1.00 0.36 O ATOM 1135 CB ALA A 71 12.984 -3.774 -5.339 1.00 0.34 C ATOM 0 H ALA A 71 14.714 -4.798 -3.887 1.00 0.33 H new ATOM 0 HA ALA A 71 13.161 -2.413 -3.716 1.00 0.30 H new ATOM 0 HB1 ALA A 71 12.097 -3.289 -5.748 1.00 0.34 H new ATOM 0 HB2 ALA A 71 13.872 -3.386 -5.837 1.00 0.34 H new ATOM 0 HB3 ALA A 71 12.917 -4.850 -5.503 1.00 0.34 H new ATOM 1141 N TYR A 72 10.908 -3.053 -2.844 1.00 0.24 N ATOM 1142 CA TYR A 72 9.684 -3.408 -2.138 1.00 0.24 C ATOM 1143 C TYR A 72 8.433 -2.891 -2.845 1.00 0.21 C ATOM 1144 O TYR A 72 8.295 -1.691 -3.087 1.00 0.23 O ATOM 1145 CB TYR A 72 9.740 -2.850 -0.715 1.00 0.30 C ATOM 1146 CG TYR A 72 10.510 -3.722 0.251 1.00 0.31 C ATOM 1147 CD1 TYR A 72 9.896 -4.805 0.867 1.00 0.49 C ATOM 1148 CD2 TYR A 72 11.846 -3.465 0.548 1.00 0.36 C ATOM 1149 CE1 TYR A 72 10.585 -5.608 1.751 1.00 0.56 C ATOM 1150 CE2 TYR A 72 12.543 -4.266 1.432 1.00 0.42 C ATOM 1151 CZ TYR A 72 11.909 -5.336 2.031 1.00 0.46 C ATOM 1152 OH TYR A 72 12.601 -6.135 2.912 1.00 0.56 O ATOM 0 H TYR A 72 10.989 -2.066 -3.089 1.00 0.24 H new ATOM 0 HA TYR A 72 9.618 -4.496 -2.118 1.00 0.24 H new ATOM 0 HB2 TYR A 72 10.196 -1.860 -0.740 1.00 0.30 H new ATOM 0 HB3 TYR A 72 8.723 -2.723 -0.344 1.00 0.30 H new ATOM 0 HD1 TYR A 72 8.861 -5.022 0.650 1.00 0.49 H new ATOM 0 HD2 TYR A 72 12.344 -2.628 0.081 1.00 0.36 H new ATOM 0 HE1 TYR A 72 10.091 -6.445 2.222 1.00 0.56 H new ATOM 0 HE2 TYR A 72 13.579 -4.056 1.653 1.00 0.42 H new ATOM 0 HH TYR A 72 13.268 -6.661 2.423 1.00 0.56 H new ATOM 1162 N GLU A 73 7.515 -3.808 -3.153 1.00 0.21 N ATOM 1163 CA GLU A 73 6.258 -3.448 -3.814 1.00 0.21 C ATOM 1164 C GLU A 73 5.137 -3.399 -2.782 1.00 0.23 C ATOM 1165 O GLU A 73 5.112 -4.214 -1.858 1.00 0.32 O ATOM 1166 CB GLU A 73 5.918 -4.458 -4.911 1.00 0.25 C ATOM 1167 CG GLU A 73 6.735 -4.280 -6.182 1.00 0.65 C ATOM 1168 CD GLU A 73 5.973 -4.686 -7.428 1.00 0.68 C ATOM 1169 OE1 GLU A 73 5.360 -5.775 -7.423 1.00 1.32 O ATOM 1170 OE2 GLU A 73 5.991 -3.916 -8.411 1.00 1.50 O ATOM 0 H GLU A 73 7.617 -4.804 -2.956 1.00 0.21 H new ATOM 0 HA GLU A 73 6.370 -2.467 -4.275 1.00 0.21 H new ATOM 0 HB2 GLU A 73 6.076 -5.466 -4.526 1.00 0.25 H new ATOM 0 HB3 GLU A 73 4.859 -4.373 -5.155 1.00 0.25 H new ATOM 0 HG2 GLU A 73 7.039 -3.237 -6.271 1.00 0.65 H new ATOM 0 HG3 GLU A 73 7.647 -4.873 -6.109 1.00 0.65 H new ATOM 1177 N PHE A 74 4.220 -2.441 -2.909 1.00 0.22 N ATOM 1178 CA PHE A 74 3.132 -2.343 -1.910 1.00 0.28 C ATOM 1179 C PHE A 74 1.740 -2.098 -2.501 1.00 0.25 C ATOM 1180 O PHE A 74 1.467 -1.035 -3.054 1.00 0.30 O ATOM 1181 CB PHE A 74 3.427 -1.228 -0.894 1.00 0.39 C ATOM 1182 CG PHE A 74 4.881 -0.880 -0.767 1.00 0.36 C ATOM 1183 CD1 PHE A 74 5.543 -0.202 -1.778 1.00 0.52 C ATOM 1184 CD2 PHE A 74 5.581 -1.233 0.370 1.00 0.42 C ATOM 1185 CE1 PHE A 74 6.884 0.116 -1.651 1.00 0.60 C ATOM 1186 CE2 PHE A 74 6.916 -0.920 0.500 1.00 0.49 C ATOM 1187 CZ PHE A 74 7.570 -0.225 -0.558 1.00 0.53 C ATOM 0 H PHE A 74 4.196 -1.745 -3.655 1.00 0.22 H new ATOM 0 HA PHE A 74 3.110 -3.322 -1.432 1.00 0.28 H new ATOM 0 HB2 PHE A 74 2.875 -0.334 -1.183 1.00 0.39 H new ATOM 0 HB3 PHE A 74 3.051 -1.533 0.083 1.00 0.39 H new ATOM 0 HD1 PHE A 74 5.008 0.081 -2.673 1.00 0.52 H new ATOM 0 HD2 PHE A 74 5.076 -1.760 1.166 1.00 0.42 H new ATOM 0 HE1 PHE A 74 7.383 0.648 -2.448 1.00 0.60 H new ATOM 0 HE2 PHE A 74 7.459 -1.197 1.391 1.00 0.49 H new ATOM 0 HZ PHE A 74 8.617 0.025 -0.476 1.00 0.53 H new ATOM 1197 N ARG A 75 0.844 -3.079 -2.335 1.00 0.27 N ATOM 1198 CA ARG A 75 -0.538 -2.959 -2.810 1.00 0.34 C ATOM 1199 C ARG A 75 -1.453 -2.670 -1.630 1.00 0.31 C ATOM 1200 O ARG A 75 -1.146 -3.057 -0.504 1.00 0.45 O ATOM 1201 CB ARG A 75 -0.997 -4.233 -3.530 1.00 0.46 C ATOM 1202 CG ARG A 75 -1.315 -5.408 -2.613 1.00 0.94 C ATOM 1203 CD ARG A 75 -0.350 -6.563 -2.828 1.00 1.08 C ATOM 1204 NE ARG A 75 -1.019 -7.788 -3.272 1.00 0.87 N ATOM 1205 CZ ARG A 75 -1.615 -7.931 -4.456 1.00 1.39 C ATOM 1206 NH1 ARG A 75 -1.631 -6.931 -5.326 1.00 2.11 N ATOM 1207 NH2 ARG A 75 -2.193 -9.083 -4.770 1.00 1.87 N ATOM 0 H ARG A 75 1.053 -3.965 -1.875 1.00 0.27 H new ATOM 0 HA ARG A 75 -0.585 -2.138 -3.526 1.00 0.34 H new ATOM 0 HB2 ARG A 75 -1.884 -4.000 -4.120 1.00 0.46 H new ATOM 0 HB3 ARG A 75 -0.219 -4.537 -4.230 1.00 0.46 H new ATOM 0 HG2 ARG A 75 -1.268 -5.082 -1.574 1.00 0.94 H new ATOM 0 HG3 ARG A 75 -2.335 -5.747 -2.795 1.00 0.94 H new ATOM 0 HD2 ARG A 75 0.396 -6.274 -3.568 1.00 1.08 H new ATOM 0 HD3 ARG A 75 0.183 -6.762 -1.899 1.00 1.08 H new ATOM 0 HE ARG A 75 -1.030 -8.584 -2.634 1.00 0.87 H new ATOM 0 HH11 ARG A 75 -1.185 -6.044 -5.092 1.00 2.11 H new ATOM 0 HH12 ARG A 75 -2.089 -7.049 -6.230 1.00 2.11 H new ATOM 0 HH21 ARG A 75 -2.181 -9.857 -4.106 1.00 1.87 H new ATOM 0 HH22 ARG A 75 -2.650 -9.194 -5.675 1.00 1.87 H new ATOM 1221 N VAL A 76 -2.570 -1.988 -1.861 1.00 0.32 N ATOM 1222 CA VAL A 76 -3.469 -1.679 -0.753 1.00 0.39 C ATOM 1223 C VAL A 76 -4.828 -2.376 -0.875 1.00 0.31 C ATOM 1224 O VAL A 76 -5.601 -2.130 -1.801 1.00 0.43 O ATOM 1225 CB VAL A 76 -3.617 -0.130 -0.501 1.00 0.60 C ATOM 1226 CG1 VAL A 76 -3.059 0.691 -1.652 1.00 0.54 C ATOM 1227 CG2 VAL A 76 -5.049 0.305 -0.181 1.00 0.47 C ATOM 0 H VAL A 76 -2.869 -1.647 -2.775 1.00 0.32 H new ATOM 0 HA VAL A 76 -2.991 -2.093 0.135 1.00 0.39 H new ATOM 0 HB VAL A 76 -3.020 0.069 0.389 1.00 0.60 H new ATOM 0 HG11 VAL A 76 -3.182 1.752 -1.435 1.00 0.54 H new ATOM 0 HG12 VAL A 76 -2.000 0.467 -1.779 1.00 0.54 H new ATOM 0 HG13 VAL A 76 -3.594 0.443 -2.569 1.00 0.54 H new ATOM 0 HG21 VAL A 76 -5.074 1.383 -0.020 1.00 0.47 H new ATOM 0 HG22 VAL A 76 -5.702 0.047 -1.015 1.00 0.47 H new ATOM 0 HG23 VAL A 76 -5.392 -0.205 0.719 1.00 0.47 H new ATOM 1237 N ILE A 77 -5.105 -3.226 0.113 1.00 0.33 N ATOM 1238 CA ILE A 77 -6.352 -3.946 0.208 1.00 0.31 C ATOM 1239 C ILE A 77 -7.184 -3.255 1.278 1.00 0.30 C ATOM 1240 O ILE A 77 -6.655 -2.890 2.325 1.00 0.42 O ATOM 1241 CB ILE A 77 -6.124 -5.415 0.616 1.00 0.40 C ATOM 1242 CG1 ILE A 77 -5.328 -6.162 -0.450 1.00 0.45 C ATOM 1243 CG2 ILE A 77 -7.449 -6.103 0.855 1.00 0.70 C ATOM 1244 CD1 ILE A 77 -4.685 -7.435 0.056 1.00 0.42 C ATOM 0 H ILE A 77 -4.456 -3.429 0.873 1.00 0.33 H new ATOM 0 HA ILE A 77 -6.852 -3.946 -0.761 1.00 0.31 H new ATOM 0 HB ILE A 77 -5.547 -5.425 1.541 1.00 0.40 H new ATOM 0 HG12 ILE A 77 -5.989 -6.404 -1.282 1.00 0.45 H new ATOM 0 HG13 ILE A 77 -4.552 -5.503 -0.841 1.00 0.45 H new ATOM 0 HG21 ILE A 77 -7.274 -7.140 1.142 1.00 0.70 H new ATOM 0 HG22 ILE A 77 -7.986 -5.591 1.653 1.00 0.70 H new ATOM 0 HG23 ILE A 77 -8.043 -6.075 -0.058 1.00 0.70 H new ATOM 0 HD11 ILE A 77 -4.136 -7.913 -0.755 1.00 0.42 H new ATOM 0 HD12 ILE A 77 -3.998 -7.198 0.868 1.00 0.42 H new ATOM 0 HD13 ILE A 77 -5.457 -8.113 0.420 1.00 0.42 H new ATOM 1256 N ALA A 78 -8.466 -3.050 1.034 1.00 0.27 N ATOM 1257 CA ALA A 78 -9.287 -2.372 2.030 1.00 0.30 C ATOM 1258 C ALA A 78 -10.733 -2.806 1.961 1.00 0.34 C ATOM 1259 O ALA A 78 -11.290 -2.965 0.883 1.00 0.60 O ATOM 1260 CB ALA A 78 -9.188 -0.867 1.844 1.00 0.39 C ATOM 0 H ALA A 78 -8.953 -3.332 0.183 1.00 0.27 H new ATOM 0 HA ALA A 78 -8.907 -2.647 3.014 1.00 0.30 H new ATOM 0 HB1 ALA A 78 -9.804 -0.367 2.591 1.00 0.39 H new ATOM 0 HB2 ALA A 78 -8.150 -0.554 1.960 1.00 0.39 H new ATOM 0 HB3 ALA A 78 -9.539 -0.600 0.847 1.00 0.39 H new ATOM 1266 N LYS A 79 -11.356 -2.989 3.111 1.00 0.38 N ATOM 1267 CA LYS A 79 -12.746 -3.391 3.118 1.00 0.43 C ATOM 1268 C LYS A 79 -13.612 -2.259 2.555 1.00 0.59 C ATOM 1269 O LYS A 79 -13.284 -1.699 1.509 1.00 1.31 O ATOM 1270 CB LYS A 79 -13.199 -3.821 4.515 1.00 0.56 C ATOM 1271 CG LYS A 79 -12.424 -4.991 5.090 1.00 1.07 C ATOM 1272 CD LYS A 79 -13.343 -5.914 5.877 1.00 1.50 C ATOM 1273 CE LYS A 79 -12.721 -7.285 6.085 1.00 1.71 C ATOM 1274 NZ LYS A 79 -11.352 -7.190 6.661 1.00 1.98 N ATOM 0 H LYS A 79 -10.932 -2.869 4.031 1.00 0.38 H new ATOM 0 HA LYS A 79 -12.864 -4.264 2.476 1.00 0.43 H new ATOM 0 HB2 LYS A 79 -13.107 -2.971 5.192 1.00 0.56 H new ATOM 0 HB3 LYS A 79 -14.256 -4.084 4.476 1.00 0.56 H new ATOM 0 HG2 LYS A 79 -11.946 -5.548 4.284 1.00 1.07 H new ATOM 0 HG3 LYS A 79 -11.629 -4.623 5.738 1.00 1.07 H new ATOM 0 HD2 LYS A 79 -13.567 -5.466 6.845 1.00 1.50 H new ATOM 0 HD3 LYS A 79 -14.290 -6.021 5.349 1.00 1.50 H new ATOM 0 HE2 LYS A 79 -13.354 -7.874 6.748 1.00 1.71 H new ATOM 0 HE3 LYS A 79 -12.679 -7.813 5.132 1.00 1.71 H new ATOM 0 HZ1 LYS A 79 -11.035 -8.134 6.961 1.00 1.98 H new ATOM 0 HZ2 LYS A 79 -10.698 -6.817 5.943 1.00 1.98 H new ATOM 0 HZ3 LYS A 79 -11.364 -6.552 7.482 1.00 1.98 H new ATOM 1288 N ASN A 80 -14.713 -1.920 3.222 1.00 0.65 N ATOM 1289 CA ASN A 80 -15.584 -0.865 2.738 1.00 0.70 C ATOM 1290 C ASN A 80 -16.583 -0.470 3.821 1.00 0.87 C ATOM 1291 O ASN A 80 -16.353 0.479 4.570 1.00 1.55 O ATOM 1292 CB ASN A 80 -16.276 -1.323 1.444 1.00 0.67 C ATOM 1293 CG ASN A 80 -16.569 -2.815 1.423 1.00 1.39 C ATOM 1294 OD1 ASN A 80 -15.658 -3.634 1.520 1.00 2.19 O ATOM 1295 ND2 ASN A 80 -17.843 -3.175 1.304 1.00 2.05 N ATOM 0 H ASN A 80 -15.017 -2.359 4.091 1.00 0.65 H new ATOM 0 HA ASN A 80 -14.998 0.024 2.504 1.00 0.70 H new ATOM 0 HB2 ASN A 80 -17.209 -0.773 1.324 1.00 0.67 H new ATOM 0 HB3 ASN A 80 -15.645 -1.070 0.592 1.00 0.67 H new ATOM 0 HD21 ASN A 80 -18.095 -4.163 1.291 1.00 2.05 H new ATOM 0 HD22 ASN A 80 -18.569 -2.463 1.226 1.00 2.05 H new ATOM 1302 N ALA A 81 -17.675 -1.207 3.912 1.00 0.76 N ATOM 1303 CA ALA A 81 -18.691 -0.947 4.916 1.00 0.82 C ATOM 1304 C ALA A 81 -19.472 -2.221 5.239 1.00 0.88 C ATOM 1305 O ALA A 81 -19.763 -2.505 6.401 1.00 1.08 O ATOM 1306 CB ALA A 81 -19.636 0.153 4.455 1.00 0.83 C ATOM 0 H ALA A 81 -17.882 -1.995 3.299 1.00 0.76 H new ATOM 0 HA ALA A 81 -18.190 -0.611 5.824 1.00 0.82 H new ATOM 0 HB1 ALA A 81 -20.389 0.331 5.223 1.00 0.83 H new ATOM 0 HB2 ALA A 81 -19.071 1.069 4.281 1.00 0.83 H new ATOM 0 HB3 ALA A 81 -20.126 -0.152 3.530 1.00 0.83 H new ATOM 1312 N ALA A 82 -19.808 -2.986 4.198 1.00 0.81 N ATOM 1313 CA ALA A 82 -20.559 -4.227 4.365 1.00 0.90 C ATOM 1314 C ALA A 82 -19.650 -5.434 4.606 1.00 0.88 C ATOM 1315 O ALA A 82 -20.138 -6.545 4.813 1.00 1.06 O ATOM 1316 CB ALA A 82 -21.437 -4.470 3.145 1.00 0.94 C ATOM 0 H ALA A 82 -19.571 -2.766 3.231 1.00 0.81 H new ATOM 0 HA ALA A 82 -21.181 -4.112 5.252 1.00 0.90 H new ATOM 0 HB1 ALA A 82 -21.994 -5.397 3.277 1.00 0.94 H new ATOM 0 HB2 ALA A 82 -22.135 -3.641 3.028 1.00 0.94 H new ATOM 0 HB3 ALA A 82 -20.811 -4.546 2.256 1.00 0.94 H new ATOM 1322 N GLY A 83 -18.335 -5.225 4.581 1.00 0.82 N ATOM 1323 CA GLY A 83 -17.415 -6.326 4.804 1.00 0.86 C ATOM 1324 C GLY A 83 -16.903 -6.953 3.517 1.00 0.78 C ATOM 1325 O GLY A 83 -16.095 -7.880 3.555 1.00 0.93 O ATOM 0 H GLY A 83 -17.894 -4.321 4.412 1.00 0.82 H new ATOM 0 HA2 GLY A 83 -16.567 -5.969 5.388 1.00 0.86 H new ATOM 0 HA3 GLY A 83 -17.913 -7.091 5.400 1.00 0.86 H new ATOM 1329 N ALA A 84 -17.363 -6.448 2.375 1.00 0.72 N ATOM 1330 CA ALA A 84 -16.927 -6.973 1.081 1.00 0.78 C ATOM 1331 C ALA A 84 -15.527 -6.471 0.764 1.00 0.76 C ATOM 1332 O ALA A 84 -15.351 -5.500 0.037 1.00 1.38 O ATOM 1333 CB ALA A 84 -17.898 -6.570 -0.015 1.00 0.92 C ATOM 0 H ALA A 84 -18.033 -5.681 2.317 1.00 0.72 H new ATOM 0 HA ALA A 84 -16.908 -8.062 1.133 1.00 0.78 H new ATOM 0 HB1 ALA A 84 -17.556 -6.970 -0.969 1.00 0.92 H new ATOM 0 HB2 ALA A 84 -18.887 -6.967 0.211 1.00 0.92 H new ATOM 0 HB3 ALA A 84 -17.949 -5.483 -0.075 1.00 0.92 H new ATOM 1339 N ILE A 85 -14.539 -7.131 1.339 1.00 0.50 N ATOM 1340 CA ILE A 85 -13.146 -6.751 1.158 1.00 0.40 C ATOM 1341 C ILE A 85 -12.790 -6.328 -0.256 1.00 0.38 C ATOM 1342 O ILE A 85 -12.869 -7.122 -1.193 1.00 0.48 O ATOM 1343 CB ILE A 85 -12.182 -7.886 1.574 1.00 0.48 C ATOM 1344 CG1 ILE A 85 -10.754 -7.341 1.703 1.00 0.54 C ATOM 1345 CG2 ILE A 85 -12.230 -9.036 0.567 1.00 0.57 C ATOM 1346 CD1 ILE A 85 -10.269 -7.264 3.133 1.00 0.79 C ATOM 0 H ILE A 85 -14.676 -7.942 1.942 1.00 0.50 H new ATOM 0 HA ILE A 85 -13.026 -5.885 1.808 1.00 0.40 H new ATOM 0 HB ILE A 85 -12.499 -8.273 2.542 1.00 0.48 H new ATOM 0 HG12 ILE A 85 -10.077 -7.976 1.131 1.00 0.54 H new ATOM 0 HG13 ILE A 85 -10.711 -6.347 1.258 1.00 0.54 H new ATOM 0 HG21 ILE A 85 -11.544 -9.823 0.880 1.00 0.57 H new ATOM 0 HG22 ILE A 85 -13.243 -9.436 0.519 1.00 0.57 H new ATOM 0 HG23 ILE A 85 -11.937 -8.670 -0.417 1.00 0.57 H new ATOM 0 HD11 ILE A 85 -9.253 -6.870 3.152 1.00 0.79 H new ATOM 0 HD12 ILE A 85 -10.924 -6.606 3.704 1.00 0.79 H new ATOM 0 HD13 ILE A 85 -10.281 -8.260 3.575 1.00 0.79 H new ATOM 1358 N SER A 86 -12.344 -5.082 -0.397 1.00 0.39 N ATOM 1359 CA SER A 86 -11.915 -4.594 -1.697 1.00 0.45 C ATOM 1360 C SER A 86 -10.576 -5.260 -1.997 1.00 0.44 C ATOM 1361 O SER A 86 -9.573 -4.957 -1.338 1.00 0.43 O ATOM 1362 CB SER A 86 -11.774 -3.066 -1.714 1.00 0.54 C ATOM 1363 OG SER A 86 -10.466 -2.660 -1.338 1.00 0.59 O ATOM 0 H SER A 86 -12.272 -4.404 0.362 1.00 0.39 H new ATOM 0 HA SER A 86 -12.659 -4.840 -2.454 1.00 0.45 H new ATOM 0 HB2 SER A 86 -12.000 -2.690 -2.712 1.00 0.54 H new ATOM 0 HB3 SER A 86 -12.503 -2.625 -1.034 1.00 0.54 H new ATOM 0 HG SER A 86 -10.486 -2.290 -0.431 1.00 0.59 H new ATOM 1369 N PRO A 87 -10.537 -6.197 -2.961 1.00 0.52 N ATOM 1370 CA PRO A 87 -9.316 -6.929 -3.302 1.00 0.61 C ATOM 1371 C PRO A 87 -8.101 -6.030 -3.529 1.00 0.54 C ATOM 1372 O PRO A 87 -8.229 -4.822 -3.718 1.00 0.63 O ATOM 1373 CB PRO A 87 -9.687 -7.709 -4.570 1.00 0.85 C ATOM 1374 CG PRO A 87 -11.001 -7.159 -5.015 1.00 0.74 C ATOM 1375 CD PRO A 87 -11.675 -6.643 -3.778 1.00 0.59 C ATOM 0 HA PRO A 87 -9.004 -7.572 -2.479 1.00 0.61 H new ATOM 0 HB2 PRO A 87 -8.928 -7.583 -5.343 1.00 0.85 H new ATOM 0 HB3 PRO A 87 -9.759 -8.777 -4.365 1.00 0.85 H new ATOM 0 HG2 PRO A 87 -10.863 -6.362 -5.745 1.00 0.74 H new ATOM 0 HG3 PRO A 87 -11.604 -7.930 -5.495 1.00 0.74 H new ATOM 0 HD2 PRO A 87 -12.361 -5.825 -4.000 1.00 0.59 H new ATOM 0 HD3 PRO A 87 -12.255 -7.419 -3.278 1.00 0.59 H new ATOM 1383 N PRO A 88 -6.894 -6.634 -3.493 1.00 0.55 N ATOM 1384 CA PRO A 88 -5.622 -5.924 -3.673 1.00 0.56 C ATOM 1385 C PRO A 88 -5.643 -4.857 -4.753 1.00 0.48 C ATOM 1386 O PRO A 88 -6.030 -5.109 -5.894 1.00 0.68 O ATOM 1387 CB PRO A 88 -4.668 -7.046 -4.057 1.00 0.69 C ATOM 1388 CG PRO A 88 -5.172 -8.224 -3.302 1.00 0.76 C ATOM 1389 CD PRO A 88 -6.671 -8.079 -3.257 1.00 0.72 C ATOM 0 HA PRO A 88 -5.351 -5.370 -2.774 1.00 0.56 H new ATOM 0 HB2 PRO A 88 -4.678 -7.227 -5.132 1.00 0.69 H new ATOM 0 HB3 PRO A 88 -3.640 -6.807 -3.783 1.00 0.69 H new ATOM 0 HG2 PRO A 88 -4.885 -9.154 -3.793 1.00 0.76 H new ATOM 0 HG3 PRO A 88 -4.752 -8.251 -2.296 1.00 0.76 H new ATOM 0 HD2 PRO A 88 -7.155 -8.688 -4.020 1.00 0.72 H new ATOM 0 HD3 PRO A 88 -7.075 -8.394 -2.295 1.00 0.72 H new ATOM 1397 N SER A 89 -5.198 -3.662 -4.375 1.00 0.43 N ATOM 1398 CA SER A 89 -5.134 -2.543 -5.300 1.00 0.42 C ATOM 1399 C SER A 89 -3.697 -2.331 -5.776 1.00 0.35 C ATOM 1400 O SER A 89 -2.885 -1.748 -5.056 1.00 0.51 O ATOM 1401 CB SER A 89 -5.659 -1.268 -4.640 1.00 0.56 C ATOM 1402 OG SER A 89 -4.767 -0.805 -3.643 1.00 1.28 O ATOM 0 H SER A 89 -4.876 -3.447 -3.431 1.00 0.43 H new ATOM 0 HA SER A 89 -5.762 -2.773 -6.160 1.00 0.42 H new ATOM 0 HB2 SER A 89 -5.798 -0.495 -5.395 1.00 0.56 H new ATOM 0 HB3 SER A 89 -6.636 -1.460 -4.197 1.00 0.56 H new ATOM 0 HG SER A 89 -5.172 -0.929 -2.759 1.00 1.28 H new ATOM 1408 N GLU A 90 -3.424 -2.820 -6.997 1.00 0.38 N ATOM 1409 CA GLU A 90 -2.110 -2.733 -7.673 1.00 0.37 C ATOM 1410 C GLU A 90 -0.958 -2.280 -6.764 1.00 0.34 C ATOM 1411 O GLU A 90 -0.950 -1.151 -6.282 1.00 0.44 O ATOM 1412 CB GLU A 90 -2.219 -1.775 -8.864 1.00 0.49 C ATOM 1413 CG GLU A 90 -2.059 -2.454 -10.213 1.00 0.90 C ATOM 1414 CD GLU A 90 -3.377 -2.943 -10.782 1.00 1.10 C ATOM 1415 OE1 GLU A 90 -4.231 -2.095 -11.113 1.00 1.76 O ATOM 1416 OE2 GLU A 90 -3.554 -4.175 -10.896 1.00 1.77 O ATOM 0 H GLU A 90 -4.127 -3.300 -7.559 1.00 0.38 H new ATOM 0 HA GLU A 90 -1.865 -3.746 -7.992 1.00 0.37 H new ATOM 0 HB2 GLU A 90 -3.188 -1.278 -8.831 1.00 0.49 H new ATOM 0 HB3 GLU A 90 -1.459 -1.000 -8.765 1.00 0.49 H new ATOM 0 HG2 GLU A 90 -1.602 -1.756 -10.914 1.00 0.90 H new ATOM 0 HG3 GLU A 90 -1.376 -3.298 -10.112 1.00 0.90 H new ATOM 1423 N PRO A 91 0.049 -3.145 -6.528 1.00 0.30 N ATOM 1424 CA PRO A 91 1.191 -2.794 -5.685 1.00 0.29 C ATOM 1425 C PRO A 91 2.072 -1.709 -6.296 1.00 0.31 C ATOM 1426 O PRO A 91 2.407 -1.759 -7.480 1.00 0.55 O ATOM 1427 CB PRO A 91 1.994 -4.093 -5.550 1.00 0.36 C ATOM 1428 CG PRO A 91 1.169 -5.175 -6.165 1.00 0.36 C ATOM 1429 CD PRO A 91 0.155 -4.512 -7.062 1.00 0.39 C ATOM 0 HA PRO A 91 0.848 -2.391 -4.732 1.00 0.29 H new ATOM 0 HB2 PRO A 91 2.957 -4.007 -6.054 1.00 0.36 H new ATOM 0 HB3 PRO A 91 2.201 -4.313 -4.503 1.00 0.36 H new ATOM 0 HG2 PRO A 91 1.797 -5.860 -6.735 1.00 0.36 H new ATOM 0 HG3 PRO A 91 0.673 -5.765 -5.394 1.00 0.36 H new ATOM 0 HD2 PRO A 91 0.482 -4.510 -8.102 1.00 0.39 H new ATOM 0 HD3 PRO A 91 -0.804 -5.029 -7.031 1.00 0.39 H new ATOM 1437 N SER A 92 2.457 -0.736 -5.470 1.00 0.27 N ATOM 1438 CA SER A 92 3.316 0.353 -5.914 1.00 0.31 C ATOM 1439 C SER A 92 4.654 -0.211 -6.358 1.00 0.27 C ATOM 1440 O SER A 92 5.152 -1.172 -5.761 1.00 0.24 O ATOM 1441 CB SER A 92 3.520 1.381 -4.785 1.00 0.39 C ATOM 1442 OG SER A 92 4.869 1.818 -4.696 1.00 1.23 O ATOM 0 H SER A 92 2.185 -0.683 -4.488 1.00 0.27 H new ATOM 0 HA SER A 92 2.839 0.861 -6.752 1.00 0.31 H new ATOM 0 HB2 SER A 92 2.872 2.240 -4.957 1.00 0.39 H new ATOM 0 HB3 SER A 92 3.219 0.940 -3.835 1.00 0.39 H new ATOM 0 HG SER A 92 5.411 1.121 -4.272 1.00 1.23 H new ATOM 1448 N ASP A 93 5.232 0.394 -7.399 1.00 0.33 N ATOM 1449 CA ASP A 93 6.522 -0.040 -7.933 1.00 0.36 C ATOM 1450 C ASP A 93 7.486 -0.412 -6.813 1.00 0.32 C ATOM 1451 O ASP A 93 7.424 0.139 -5.714 1.00 0.56 O ATOM 1452 CB ASP A 93 7.138 1.057 -8.799 1.00 0.45 C ATOM 1453 CG ASP A 93 6.579 1.068 -10.209 1.00 0.89 C ATOM 1454 OD1 ASP A 93 6.813 0.090 -10.949 1.00 1.63 O ATOM 1455 OD2 ASP A 93 5.908 2.056 -10.572 1.00 1.55 O ATOM 0 H ASP A 93 4.823 1.189 -7.890 1.00 0.33 H new ATOM 0 HA ASP A 93 6.346 -0.925 -8.545 1.00 0.36 H new ATOM 0 HB2 ASP A 93 6.959 2.026 -8.333 1.00 0.45 H new ATOM 0 HB3 ASP A 93 8.218 0.918 -8.841 1.00 0.45 H new ATOM 1460 N ALA A 94 8.367 -1.353 -7.098 1.00 0.33 N ATOM 1461 CA ALA A 94 9.331 -1.807 -6.113 1.00 0.28 C ATOM 1462 C ALA A 94 10.466 -0.805 -5.927 1.00 0.29 C ATOM 1463 O ALA A 94 11.207 -0.509 -6.864 1.00 0.41 O ATOM 1464 CB ALA A 94 9.895 -3.155 -6.521 1.00 0.34 C ATOM 0 H ALA A 94 8.435 -1.818 -8.003 1.00 0.33 H new ATOM 0 HA ALA A 94 8.810 -1.901 -5.160 1.00 0.28 H new ATOM 0 HB1 ALA A 94 10.618 -3.488 -5.776 1.00 0.34 H new ATOM 0 HB2 ALA A 94 9.086 -3.882 -6.592 1.00 0.34 H new ATOM 0 HB3 ALA A 94 10.388 -3.065 -7.489 1.00 0.34 H new ATOM 1470 N ILE A 95 10.601 -0.294 -4.709 1.00 0.25 N ATOM 1471 CA ILE A 95 11.647 0.664 -4.385 1.00 0.28 C ATOM 1472 C ILE A 95 12.816 -0.028 -3.695 1.00 0.26 C ATOM 1473 O ILE A 95 12.657 -0.608 -2.620 1.00 0.25 O ATOM 1474 CB ILE A 95 11.102 1.783 -3.481 1.00 0.33 C ATOM 1475 CG1 ILE A 95 10.015 2.547 -4.226 1.00 0.41 C ATOM 1476 CG2 ILE A 95 12.214 2.722 -3.034 1.00 0.41 C ATOM 1477 CD1 ILE A 95 8.622 2.070 -3.900 1.00 0.44 C ATOM 0 H ILE A 95 9.993 -0.531 -3.925 1.00 0.25 H new ATOM 0 HA ILE A 95 11.996 1.104 -5.319 1.00 0.28 H new ATOM 0 HB ILE A 95 10.677 1.335 -2.583 1.00 0.33 H new ATOM 0 HG12 ILE A 95 10.095 3.607 -3.984 1.00 0.41 H new ATOM 0 HG13 ILE A 95 10.183 2.451 -5.299 1.00 0.41 H new ATOM 0 HG21 ILE A 95 11.797 3.502 -2.397 1.00 0.41 H new ATOM 0 HG22 ILE A 95 12.963 2.160 -2.477 1.00 0.41 H new ATOM 0 HG23 ILE A 95 12.679 3.178 -3.908 1.00 0.41 H new ATOM 0 HD11 ILE A 95 7.896 2.655 -4.464 1.00 0.44 H new ATOM 0 HD12 ILE A 95 8.526 1.018 -4.167 1.00 0.44 H new ATOM 0 HD13 ILE A 95 8.436 2.192 -2.833 1.00 0.44 H new ATOM 1489 N THR A 96 13.985 0.035 -4.321 1.00 0.29 N ATOM 1490 CA THR A 96 15.182 -0.587 -3.769 1.00 0.32 C ATOM 1491 C THR A 96 15.385 -0.190 -2.311 1.00 0.32 C ATOM 1492 O THR A 96 15.805 -1.005 -1.491 1.00 0.38 O ATOM 1493 CB THR A 96 16.408 -0.195 -4.591 1.00 0.37 C ATOM 1494 OG1 THR A 96 16.100 -0.180 -5.974 1.00 0.44 O ATOM 1495 CG2 THR A 96 17.578 -1.131 -4.393 1.00 0.43 C ATOM 0 H THR A 96 14.129 0.511 -5.212 1.00 0.29 H new ATOM 0 HA THR A 96 15.051 -1.668 -3.814 1.00 0.32 H new ATOM 0 HB THR A 96 16.690 0.797 -4.239 1.00 0.37 H new ATOM 0 HG1 THR A 96 16.897 0.075 -6.484 1.00 0.44 H new ATOM 0 HG21 THR A 96 18.417 -0.799 -5.004 1.00 0.43 H new ATOM 0 HG22 THR A 96 17.871 -1.131 -3.343 1.00 0.43 H new ATOM 0 HG23 THR A 96 17.291 -2.140 -4.689 1.00 0.43 H new ATOM 1503 N CYS A 97 15.084 1.065 -1.993 1.00 0.32 N ATOM 1504 CA CYS A 97 15.238 1.554 -0.628 1.00 0.36 C ATOM 1505 C CYS A 97 16.700 1.484 -0.197 1.00 0.43 C ATOM 1506 O CYS A 97 17.009 1.058 0.912 1.00 0.64 O ATOM 1507 CB CYS A 97 14.366 0.723 0.318 1.00 0.38 C ATOM 1508 SG CYS A 97 12.675 1.339 0.500 1.00 1.10 S ATOM 0 H CYS A 97 14.735 1.757 -2.656 1.00 0.32 H new ATOM 0 HA CYS A 97 14.919 2.595 -0.587 1.00 0.36 H new ATOM 0 HB2 CYS A 97 14.330 -0.303 -0.047 1.00 0.38 H new ATOM 0 HB3 CYS A 97 14.839 0.696 1.300 1.00 0.38 H new ATOM 0 HG CYS A 97 12.677 2.396 1.257 1.00 1.10 H new ATOM 1514 N ARG A 98 17.595 1.901 -1.086 1.00 0.53 N ATOM 1515 CA ARG A 98 19.028 1.874 -0.796 1.00 0.63 C ATOM 1516 C ARG A 98 19.474 3.126 -0.040 1.00 0.80 C ATOM 1517 O ARG A 98 19.444 3.160 1.189 1.00 1.04 O ATOM 1518 CB ARG A 98 19.852 1.696 -2.083 1.00 0.68 C ATOM 1519 CG ARG A 98 19.250 2.355 -3.315 1.00 0.74 C ATOM 1520 CD ARG A 98 20.325 2.938 -4.218 1.00 0.92 C ATOM 1521 NE ARG A 98 21.265 1.922 -4.683 1.00 1.64 N ATOM 1522 CZ ARG A 98 20.987 1.046 -5.641 1.00 2.31 C ATOM 1523 NH1 ARG A 98 19.801 1.063 -6.233 1.00 3.00 N ATOM 1524 NH2 ARG A 98 21.895 0.153 -6.010 1.00 2.68 N ATOM 0 H ARG A 98 17.357 2.261 -2.010 1.00 0.53 H new ATOM 0 HA ARG A 98 19.210 1.014 -0.152 1.00 0.63 H new ATOM 0 HB2 ARG A 98 20.850 2.104 -1.920 1.00 0.68 H new ATOM 0 HB3 ARG A 98 19.971 0.630 -2.278 1.00 0.68 H new ATOM 0 HG2 ARG A 98 18.665 1.623 -3.871 1.00 0.74 H new ATOM 0 HG3 ARG A 98 18.564 3.145 -3.008 1.00 0.74 H new ATOM 0 HD2 ARG A 98 19.855 3.416 -5.077 1.00 0.92 H new ATOM 0 HD3 ARG A 98 20.869 3.714 -3.679 1.00 0.92 H new ATOM 0 HE ARG A 98 22.187 1.883 -4.248 1.00 1.64 H new ATOM 0 HH11 ARG A 98 19.101 1.750 -5.953 1.00 3.00 H new ATOM 0 HH12 ARG A 98 19.589 0.389 -6.969 1.00 3.00 H new ATOM 0 HH21 ARG A 98 22.809 0.138 -5.558 1.00 2.68 H new ATOM 0 HH22 ARG A 98 21.679 -0.519 -6.746 1.00 2.68 H new ATOM 1538 N ASP A 99 19.892 4.144 -0.776 1.00 0.92 N ATOM 1539 CA ASP A 99 20.348 5.393 -0.178 1.00 1.20 C ATOM 1540 C ASP A 99 19.394 6.526 -0.524 1.00 1.03 C ATOM 1541 O ASP A 99 19.799 7.686 -0.608 1.00 1.20 O ATOM 1542 CB ASP A 99 21.748 5.726 -0.691 1.00 1.61 C ATOM 1543 CG ASP A 99 21.762 6.074 -2.167 1.00 1.71 C ATOM 1544 OD1 ASP A 99 20.909 5.546 -2.909 1.00 2.08 O ATOM 1545 OD2 ASP A 99 22.627 6.875 -2.579 1.00 2.14 O ATOM 0 H ASP A 99 19.926 4.131 -1.795 1.00 0.92 H new ATOM 0 HA ASP A 99 20.374 5.275 0.905 1.00 1.20 H new ATOM 0 HB2 ASP A 99 22.150 6.563 -0.121 1.00 1.61 H new ATOM 0 HB3 ASP A 99 22.407 4.875 -0.516 1.00 1.61 H new ATOM 1550 N ASP A 100 18.129 6.178 -0.743 1.00 0.85 N ATOM 1551 CA ASP A 100 17.109 7.157 -1.103 1.00 0.92 C ATOM 1552 C ASP A 100 17.596 8.060 -2.231 1.00 1.22 C ATOM 1553 O ASP A 100 17.143 9.194 -2.381 1.00 1.38 O ATOM 1554 CB ASP A 100 16.707 7.993 0.113 1.00 0.87 C ATOM 1555 CG ASP A 100 15.325 7.650 0.637 1.00 1.32 C ATOM 1556 OD1 ASP A 100 15.219 6.724 1.470 1.00 2.03 O ATOM 1557 OD2 ASP A 100 14.351 8.309 0.216 1.00 2.06 O ATOM 0 H ASP A 100 17.785 5.220 -0.677 1.00 0.85 H new ATOM 0 HA ASP A 100 16.231 6.614 -1.454 1.00 0.92 H new ATOM 0 HB2 ASP A 100 17.438 7.844 0.907 1.00 0.87 H new ATOM 0 HB3 ASP A 100 16.737 9.050 -0.153 1.00 0.87 H new ATOM 1562 N VAL A 101 18.523 7.535 -3.019 1.00 1.43 N ATOM 1563 CA VAL A 101 19.094 8.254 -4.135 1.00 1.90 C ATOM 1564 C VAL A 101 18.680 7.607 -5.452 1.00 2.23 C ATOM 1565 O VAL A 101 18.625 8.265 -6.490 1.00 2.80 O ATOM 1566 CB VAL A 101 20.621 8.254 -4.030 1.00 2.20 C ATOM 1567 CG1 VAL A 101 21.078 9.267 -2.992 1.00 2.67 C ATOM 1568 CG2 VAL A 101 21.128 6.859 -3.690 1.00 2.22 C ATOM 0 H VAL A 101 18.898 6.594 -2.897 1.00 1.43 H new ATOM 0 HA VAL A 101 18.726 9.280 -4.109 1.00 1.90 H new ATOM 0 HB VAL A 101 21.040 8.542 -4.994 1.00 2.20 H new ATOM 0 HG11 VAL A 101 22.166 9.256 -2.928 1.00 2.67 H new ATOM 0 HG12 VAL A 101 20.741 10.262 -3.282 1.00 2.67 H new ATOM 0 HG13 VAL A 101 20.655 9.009 -2.021 1.00 2.67 H new ATOM 0 HG21 VAL A 101 22.216 6.874 -3.619 1.00 2.22 H new ATOM 0 HG22 VAL A 101 20.706 6.541 -2.737 1.00 2.22 H new ATOM 0 HG23 VAL A 101 20.826 6.162 -4.471 1.00 2.22 H new ATOM 1578 N GLU A 102 18.389 6.307 -5.394 1.00 1.99 N ATOM 1579 CA GLU A 102 17.975 5.551 -6.574 1.00 2.40 C ATOM 1580 C GLU A 102 18.847 5.879 -7.782 1.00 2.00 C ATOM 1581 O GLU A 102 18.371 5.913 -8.917 1.00 2.49 O ATOM 1582 CB GLU A 102 16.506 5.826 -6.893 1.00 3.22 C ATOM 1583 CG GLU A 102 16.218 7.263 -7.297 1.00 3.87 C ATOM 1584 CD GLU A 102 17.455 8.139 -7.258 1.00 4.18 C ATOM 1585 OE1 GLU A 102 18.367 7.918 -8.083 1.00 4.58 O ATOM 1586 OE2 GLU A 102 17.513 9.046 -6.403 1.00 4.47 O ATOM 0 H GLU A 102 18.433 5.755 -4.538 1.00 1.99 H new ATOM 0 HA GLU A 102 18.099 4.491 -6.350 1.00 2.40 H new ATOM 0 HB2 GLU A 102 16.190 5.163 -7.698 1.00 3.22 H new ATOM 0 HB3 GLU A 102 15.903 5.577 -6.020 1.00 3.22 H new ATOM 0 HG2 GLU A 102 15.799 7.277 -8.303 1.00 3.87 H new ATOM 0 HG3 GLU A 102 15.462 7.679 -6.631 1.00 3.87 H new ATOM 1593 N ALA A 103 20.125 6.118 -7.524 1.00 1.84 N ATOM 1594 CA ALA A 103 21.072 6.442 -8.584 1.00 2.56 C ATOM 1595 C ALA A 103 22.502 6.480 -8.054 1.00 3.21 C ATOM 1596 O ALA A 103 22.690 6.886 -6.887 1.00 3.72 O ATOM 1597 CB ALA A 103 20.708 7.773 -9.224 1.00 3.26 C ATOM 1598 OXT ALA A 103 23.422 6.105 -8.811 1.00 3.79 O ATOM 0 H ALA A 103 20.531 6.094 -6.589 1.00 1.84 H new ATOM 0 HA ALA A 103 21.016 5.659 -9.340 1.00 2.56 H new ATOM 0 HB1 ALA A 103 21.422 8.004 -10.014 1.00 3.26 H new ATOM 0 HB2 ALA A 103 19.706 7.711 -9.648 1.00 3.26 H new ATOM 0 HB3 ALA A 103 20.735 8.559 -8.469 1.00 3.26 H new TER 1604 ALA A 103