USER MOD reduce.3.24.130724 H: found=0, std=0, add=1236, rem=0, adj=53 USER MOD reduce.3.24.130724 removed 1236 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 15 SER OG : rot -63:sc= 0.63 USER MOD Set 1.2: A 158 SER OG : rot 29:sc= 0.943 USER MOD Set 2.1: A 56 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 85 HIS : no HE2:sc= -0.679 K(o=0.26,f=-3.6!) USER MOD Set 3.2: A 98 CYS SG : rot -130:sc= 0.936 USER MOD Set 4.1: A 60 SER OG : rot -85:sc= 0.548 USER MOD Set 4.2: A 61 ASN : amide:sc= 0.5 K(o=1,f=-0.027) USER MOD Set 5.1: A 12 TYR OH : rot 180:sc= -0.0315 USER MOD Set 5.2: A 53 TYR OH : rot 150:sc= 0 USER MOD Set 6.1: A 52 SER OG : rot -110:sc= 0.481 USER MOD Set 6.2: A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 0 GLY N :NH3+ -172:sc= -0.0913 (180deg=-0.196) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 169:sc= -1.35 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.161 K(o=-0.16,f=-2.7!) USER MOD Single : A 22 GLN : amide:sc= -0.0874 K(o=-0.087,f=-2.4!) USER MOD Single : A 23 SER OG : rot 130:sc= -0.725 USER MOD Single : A 25 THR OG1 : rot -150:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc=-0.00671 USER MOD Single : A 33 TYR OH : rot 145:sc= 0.43 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 160:sc= 0.00919 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -177:sc= -1.07 (180deg=-1.13) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 58 HIS : no HD1:sc= -0.0282 X(o=-0.028,f=-0.0014) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 159:sc= -0.42 (180deg=-1.05) USER MOD Single : A 71 MET CE :methyl 169:sc= -0.4 (180deg=-0.469) USER MOD Single : A 73 MET CE :methyl 172:sc= -1.54 (180deg=-1.89) USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.911 USER MOD Single : A 77 SER OG : rot -77:sc= 0.151 USER MOD Single : A 79 THR OG1 : rot -58:sc= -1.89! USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN :FLIP amide:sc= -0.0996 F(o=-1.1,f=-0.1) USER MOD Single : A 88 ASN : amide:sc= -0.0994 K(o=-0.099,f=-4.4!) USER MOD Single : A 89 LYS NZ :NH3+ -164:sc= -0.0437 (180deg=-0.284) USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 HIS : no HE2:sc= -0.21 X(o=-0.21,f=-0.69) USER MOD Single : A 97 LYS NZ :NH3+ -164:sc= -0.0582 (180deg=-0.304) USER MOD Single : A 100 LYS NZ :NH3+ 168:sc= -0.0161 (180deg=-0.222) USER MOD Single : A 105 GLN : amide:sc= 0.0238 X(o=0.024,f=0) USER MOD Single : A 111 HIS : no HD1:sc= -0.703 K(o=-0.7,f=-1.9) USER MOD Single : A 112 ASN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 113 MET CE :methyl -165:sc= -0.0439 (180deg=-0.353) USER MOD Single : A 114 HIS : no HE2:sc=-0.000777 X(o=-0.00078,f=-0.2) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 ASN : amide:sc= -0.0642 X(o=-0.064,f=0) USER MOD Single : A 117 CYS SG : rot 35:sc= -3.33! USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 122 CYS SG : rot 180:sc= -0.0156 USER MOD Single : A 124 THR OG1 : rot 180:sc= 0 USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 ASN : amide:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 136 HIS : no HD1:sc= -0.0104 X(o=-0.01,f=0) USER MOD Single : A 141 LYS NZ :NH3+ 141:sc= -0.472 (180deg=-0.959) USER MOD Single : A 144 SER OG : rot -42:sc= 1.03 USER MOD Single : A 145 SER OG : rot 180:sc= 0 USER MOD Single : A 147 ASN : amide:sc= -0.311 X(o=-0.31,f=-0.31) USER MOD Single : A 149 CYS SG : rot 180:sc= 0 USER MOD Single : A 150 THR OG1 : rot 180:sc= 0 USER MOD Single : A 152 ASN :FLIP amide:sc= -5.69! C(o=-6.4!,f=-5.7!) USER MOD Single : A 156 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 160 THR OG1 : rot 46:sc= 0.00239 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 0 25.885 8.568 3.560 1.00 7.74 N ATOM 2 CA GLY A 0 25.155 9.068 4.758 1.00 7.29 C ATOM 3 C GLY A 0 23.654 8.908 4.631 1.00 6.59 C ATOM 4 O GLY A 0 22.938 8.878 5.634 1.00 6.87 O ATOM 0 H1 GLY A 0 26.908 8.574 3.749 1.00 7.74 H new ATOM 0 H2 GLY A 0 25.578 7.598 3.346 1.00 7.74 H new ATOM 0 H3 GLY A 0 25.680 9.183 2.747 1.00 7.74 H new ATOM 0 HA2 GLY A 0 25.501 8.531 5.641 1.00 7.29 H new ATOM 0 HA3 GLY A 0 25.393 10.120 4.912 1.00 7.29 H new ATOM 10 N SER A 1 23.175 8.805 3.395 1.00 5.98 N ATOM 11 CA SER A 1 21.748 8.648 3.138 1.00 5.55 C ATOM 12 C SER A 1 21.508 7.717 1.953 1.00 4.98 C ATOM 13 O SER A 1 22.220 7.777 0.949 1.00 4.98 O ATOM 14 CB SER A 1 21.105 10.010 2.870 1.00 5.73 C ATOM 15 OG SER A 1 21.674 10.627 1.728 1.00 6.24 O ATOM 0 H SER A 1 23.754 8.827 2.556 1.00 5.98 H new ATOM 0 HA SER A 1 21.291 8.205 4.023 1.00 5.55 H new ATOM 0 HB2 SER A 1 20.032 9.887 2.724 1.00 5.73 H new ATOM 0 HB3 SER A 1 21.236 10.655 3.739 1.00 5.73 H new ATOM 0 HG SER A 1 21.245 11.495 1.577 1.00 6.24 H new ATOM 21 N SER A 2 20.502 6.856 2.078 1.00 4.86 N ATOM 22 CA SER A 2 20.166 5.909 1.020 1.00 4.65 C ATOM 23 C SER A 2 18.659 5.857 0.791 1.00 3.55 C ATOM 24 O SER A 2 18.157 4.972 0.098 1.00 3.84 O ATOM 25 CB SER A 2 20.686 4.514 1.372 1.00 5.55 C ATOM 26 OG SER A 2 20.139 4.060 2.598 1.00 5.99 O ATOM 0 H SER A 2 19.905 6.795 2.903 1.00 4.86 H new ATOM 0 HA SER A 2 20.643 6.248 0.101 1.00 4.65 H new ATOM 0 HB2 SER A 2 20.430 3.815 0.575 1.00 5.55 H new ATOM 0 HB3 SER A 2 21.774 4.535 1.441 1.00 5.55 H new ATOM 0 HG SER A 2 20.486 3.166 2.800 1.00 5.99 H new ATOM 32 N ILE A 3 17.944 6.810 1.380 1.00 2.69 N ATOM 33 CA ILE A 3 16.493 6.873 1.241 1.00 1.87 C ATOM 34 C ILE A 3 16.087 7.923 0.213 1.00 1.35 C ATOM 35 O ILE A 3 15.317 7.642 -0.705 1.00 1.91 O ATOM 36 CB ILE A 3 15.814 7.195 2.589 1.00 2.23 C ATOM 37 CG1 ILE A 3 16.198 6.155 3.647 1.00 2.35 C ATOM 38 CG2 ILE A 3 14.303 7.262 2.423 1.00 2.72 C ATOM 39 CD1 ILE A 3 15.801 4.737 3.287 1.00 2.23 C ATOM 0 H ILE A 3 18.345 7.549 1.958 1.00 2.69 H new ATOM 0 HA ILE A 3 16.162 5.891 0.903 1.00 1.87 H new ATOM 0 HB ILE A 3 16.164 8.170 2.927 1.00 2.23 H new ATOM 0 HG12 ILE A 3 17.276 6.191 3.804 1.00 2.35 H new ATOM 0 HG13 ILE A 3 15.729 6.424 4.594 1.00 2.35 H new ATOM 0 HG21 ILE A 3 13.841 7.490 3.384 1.00 2.72 H new ATOM 0 HG22 ILE A 3 14.050 8.042 1.705 1.00 2.72 H new ATOM 0 HG23 ILE A 3 13.934 6.302 2.062 1.00 2.72 H new ATOM 0 HD11 ILE A 3 16.107 4.060 4.085 1.00 2.23 H new ATOM 0 HD12 ILE A 3 14.720 4.683 3.160 1.00 2.23 H new ATOM 0 HD13 ILE A 3 16.291 4.447 2.357 1.00 2.23 H new ATOM 51 N THR A 4 16.612 9.133 0.373 1.00 1.51 N ATOM 52 CA THR A 4 16.305 10.228 -0.539 1.00 1.85 C ATOM 53 C THR A 4 17.271 10.247 -1.720 1.00 1.58 C ATOM 54 O THR A 4 18.413 9.802 -1.607 1.00 1.84 O ATOM 55 CB THR A 4 16.363 11.588 0.180 1.00 3.01 C ATOM 56 OG1 THR A 4 17.644 11.764 0.795 1.00 3.60 O ATOM 57 CG2 THR A 4 15.270 11.687 1.234 1.00 3.68 C ATOM 0 H THR A 4 17.253 9.380 1.127 1.00 1.51 H new ATOM 0 HA THR A 4 15.292 10.062 -0.905 1.00 1.85 H new ATOM 0 HB THR A 4 16.206 12.373 -0.560 1.00 3.01 H new ATOM 0 HG1 THR A 4 17.673 12.632 1.249 1.00 3.60 H new ATOM 0 HG21 THR A 4 15.329 12.656 1.730 1.00 3.68 H new ATOM 0 HG22 THR A 4 14.295 11.582 0.758 1.00 3.68 H new ATOM 0 HG23 THR A 4 15.402 10.894 1.970 1.00 3.68 H new ATOM 65 N GLY A 5 16.804 10.765 -2.852 1.00 1.36 N ATOM 66 CA GLY A 5 17.638 10.834 -4.038 1.00 1.29 C ATOM 67 C GLY A 5 17.304 9.751 -5.045 1.00 1.13 C ATOM 68 O GLY A 5 18.059 9.518 -5.989 1.00 1.34 O ATOM 0 H GLY A 5 15.862 11.138 -2.969 1.00 1.36 H new ATOM 0 HA2 GLY A 5 17.518 11.811 -4.506 1.00 1.29 H new ATOM 0 HA3 GLY A 5 18.685 10.746 -3.748 1.00 1.29 H new ATOM 72 N ILE A 6 16.171 9.087 -4.842 1.00 0.84 N ATOM 73 CA ILE A 6 15.736 8.022 -5.738 1.00 0.72 C ATOM 74 C ILE A 6 14.848 8.564 -6.852 1.00 0.71 C ATOM 75 O ILE A 6 14.509 9.749 -6.867 1.00 0.85 O ATOM 76 CB ILE A 6 14.970 6.925 -4.973 1.00 0.64 C ATOM 77 CG1 ILE A 6 13.799 7.537 -4.197 1.00 0.78 C ATOM 78 CG2 ILE A 6 15.910 6.186 -4.034 1.00 0.90 C ATOM 79 CD1 ILE A 6 12.924 6.512 -3.504 1.00 0.88 C ATOM 0 H ILE A 6 15.537 9.268 -4.064 1.00 0.84 H new ATOM 0 HA ILE A 6 16.636 7.591 -6.176 1.00 0.72 H new ATOM 0 HB ILE A 6 14.568 6.210 -5.691 1.00 0.64 H new ATOM 0 HG12 ILE A 6 14.191 8.230 -3.452 1.00 0.78 H new ATOM 0 HG13 ILE A 6 13.185 8.121 -4.883 1.00 0.78 H new ATOM 0 HG21 ILE A 6 15.357 5.414 -3.499 1.00 0.90 H new ATOM 0 HG22 ILE A 6 16.712 5.725 -4.611 1.00 0.90 H new ATOM 0 HG23 ILE A 6 16.336 6.889 -3.318 1.00 0.90 H new ATOM 0 HD11 ILE A 6 12.117 7.020 -2.976 1.00 0.88 H new ATOM 0 HD12 ILE A 6 12.502 5.833 -4.245 1.00 0.88 H new ATOM 0 HD13 ILE A 6 13.523 5.944 -2.792 1.00 0.88 H new ATOM 91 N SER A 7 14.474 7.690 -7.783 1.00 0.67 N ATOM 92 CA SER A 7 13.625 8.080 -8.905 1.00 0.69 C ATOM 93 C SER A 7 12.521 7.047 -9.137 1.00 0.58 C ATOM 94 O SER A 7 12.732 5.851 -8.933 1.00 0.54 O ATOM 95 CB SER A 7 14.463 8.241 -10.175 1.00 0.81 C ATOM 96 OG SER A 7 15.116 7.030 -10.512 1.00 1.60 O ATOM 0 H SER A 7 14.746 6.707 -7.782 1.00 0.67 H new ATOM 0 HA SER A 7 13.160 9.035 -8.662 1.00 0.69 H new ATOM 0 HB2 SER A 7 13.823 8.554 -11.000 1.00 0.81 H new ATOM 0 HB3 SER A 7 15.203 9.028 -10.029 1.00 0.81 H new ATOM 0 HG SER A 7 15.643 7.159 -11.328 1.00 1.60 H new ATOM 102 N PRO A 8 11.326 7.495 -9.572 1.00 0.57 N ATOM 103 CA PRO A 8 10.192 6.601 -9.831 1.00 0.48 C ATOM 104 C PRO A 8 10.404 5.737 -11.070 1.00 0.47 C ATOM 105 O PRO A 8 10.865 6.219 -12.104 1.00 0.58 O ATOM 106 CB PRO A 8 9.025 7.565 -10.047 1.00 0.49 C ATOM 107 CG PRO A 8 9.661 8.816 -10.545 1.00 0.69 C ATOM 108 CD PRO A 8 10.987 8.907 -9.844 1.00 0.67 C ATOM 0 HA PRO A 8 10.036 5.894 -9.016 1.00 0.48 H new ATOM 0 HB2 PRO A 8 8.311 7.168 -10.769 1.00 0.49 H new ATOM 0 HB3 PRO A 8 8.478 7.740 -9.121 1.00 0.49 H new ATOM 0 HG2 PRO A 8 9.792 8.785 -11.627 1.00 0.69 H new ATOM 0 HG3 PRO A 8 9.041 9.685 -10.324 1.00 0.69 H new ATOM 0 HD2 PRO A 8 11.740 9.388 -10.468 1.00 0.67 H new ATOM 0 HD3 PRO A 8 10.917 9.488 -8.924 1.00 0.67 H new ATOM 116 N ILE A 9 10.061 4.457 -10.954 1.00 0.41 N ATOM 117 CA ILE A 9 10.211 3.518 -12.058 1.00 0.46 C ATOM 118 C ILE A 9 9.027 3.601 -13.017 1.00 0.45 C ATOM 119 O ILE A 9 9.196 3.882 -14.204 1.00 0.53 O ATOM 120 CB ILE A 9 10.339 2.072 -11.549 1.00 0.48 C ATOM 121 CG1 ILE A 9 11.430 1.984 -10.482 1.00 0.51 C ATOM 122 CG2 ILE A 9 10.642 1.132 -12.709 1.00 0.65 C ATOM 123 CD1 ILE A 9 11.582 0.604 -9.886 1.00 1.53 C ATOM 0 H ILE A 9 9.676 4.047 -10.103 1.00 0.41 H new ATOM 0 HA ILE A 9 11.124 3.795 -12.586 1.00 0.46 H new ATOM 0 HB ILE A 9 9.393 1.769 -11.099 1.00 0.48 H new ATOM 0 HG12 ILE A 9 12.381 2.288 -10.920 1.00 0.51 H new ATOM 0 HG13 ILE A 9 11.205 2.692 -9.685 1.00 0.51 H new ATOM 0 HG21 ILE A 9 10.730 0.111 -12.337 1.00 0.65 H new ATOM 0 HG22 ILE A 9 9.834 1.183 -13.439 1.00 0.65 H new ATOM 0 HG23 ILE A 9 11.578 1.428 -13.182 1.00 0.65 H new ATOM 0 HD11 ILE A 9 12.374 0.616 -9.137 1.00 1.53 H new ATOM 0 HD12 ILE A 9 10.644 0.304 -9.418 1.00 1.53 H new ATOM 0 HD13 ILE A 9 11.838 -0.106 -10.673 1.00 1.53 H new ATOM 135 N THR A 10 7.830 3.354 -12.493 1.00 0.41 N ATOM 136 CA THR A 10 6.617 3.397 -13.300 1.00 0.42 C ATOM 137 C THR A 10 5.405 3.781 -12.458 1.00 0.31 C ATOM 138 O THR A 10 5.336 3.467 -11.268 1.00 0.28 O ATOM 139 CB THR A 10 6.348 2.040 -13.981 1.00 0.52 C ATOM 140 OG1 THR A 10 5.135 2.103 -14.740 1.00 0.54 O ATOM 141 CG2 THR A 10 6.250 0.925 -12.948 1.00 0.53 C ATOM 0 H THR A 10 7.675 3.122 -11.512 1.00 0.41 H new ATOM 0 HA THR A 10 6.775 4.156 -14.066 1.00 0.42 H new ATOM 0 HB THR A 10 7.182 1.823 -14.649 1.00 0.52 H new ATOM 0 HG1 THR A 10 4.973 1.238 -15.170 1.00 0.54 H new ATOM 0 HG21 THR A 10 6.060 -0.022 -13.452 1.00 0.53 H new ATOM 0 HG22 THR A 10 7.186 0.860 -12.393 1.00 0.53 H new ATOM 0 HG23 THR A 10 5.434 1.139 -12.258 1.00 0.53 H new ATOM 149 N GLU A 11 4.450 4.464 -13.086 1.00 0.34 N ATOM 150 CA GLU A 11 3.234 4.897 -12.405 1.00 0.27 C ATOM 151 C GLU A 11 1.998 4.519 -13.215 1.00 0.23 C ATOM 152 O GLU A 11 1.980 4.666 -14.438 1.00 0.32 O ATOM 153 CB GLU A 11 3.259 6.412 -12.183 1.00 0.35 C ATOM 154 CG GLU A 11 4.504 6.905 -11.465 1.00 1.07 C ATOM 155 CD GLU A 11 4.495 8.406 -11.254 1.00 1.05 C ATOM 156 OE1 GLU A 11 4.970 9.134 -12.152 1.00 1.46 O ATOM 157 OE2 GLU A 11 4.014 8.855 -10.192 1.00 0.76 O ATOM 0 H GLU A 11 4.496 4.730 -14.070 1.00 0.34 H new ATOM 0 HA GLU A 11 3.190 4.393 -11.439 1.00 0.27 H new ATOM 0 HB2 GLU A 11 3.185 6.913 -13.148 1.00 0.35 H new ATOM 0 HB3 GLU A 11 2.380 6.700 -11.606 1.00 0.35 H new ATOM 0 HG2 GLU A 11 4.584 6.406 -10.499 1.00 1.07 H new ATOM 0 HG3 GLU A 11 5.386 6.627 -12.042 1.00 1.07 H new ATOM 164 N TYR A 12 0.966 4.030 -12.532 1.00 0.33 N ATOM 165 CA TYR A 12 -0.271 3.637 -13.202 1.00 0.46 C ATOM 166 C TYR A 12 -1.433 3.565 -12.215 1.00 0.33 C ATOM 167 O TYR A 12 -1.229 3.481 -11.004 1.00 0.28 O ATOM 168 CB TYR A 12 -0.095 2.288 -13.904 1.00 0.67 C ATOM 169 CG TYR A 12 0.200 1.140 -12.965 1.00 0.46 C ATOM 170 CD1 TYR A 12 1.496 0.888 -12.536 1.00 0.71 C ATOM 171 CD2 TYR A 12 -0.816 0.306 -12.513 1.00 0.62 C ATOM 172 CE1 TYR A 12 1.773 -0.162 -11.682 1.00 1.26 C ATOM 173 CE2 TYR A 12 -0.547 -0.746 -11.658 1.00 1.16 C ATOM 174 CZ TYR A 12 0.748 -0.976 -11.247 1.00 1.50 C ATOM 175 OH TYR A 12 1.020 -2.023 -10.397 1.00 2.11 O ATOM 0 H TYR A 12 0.961 3.897 -11.521 1.00 0.33 H new ATOM 0 HA TYR A 12 -0.502 4.397 -13.948 1.00 0.46 H new ATOM 0 HB2 TYR A 12 -1.001 2.061 -14.465 1.00 0.67 H new ATOM 0 HB3 TYR A 12 0.716 2.370 -14.628 1.00 0.67 H new ATOM 0 HD1 TYR A 12 2.301 1.523 -12.875 1.00 0.71 H new ATOM 0 HD2 TYR A 12 -1.832 0.483 -12.835 1.00 0.62 H new ATOM 0 HE1 TYR A 12 2.787 -0.344 -11.357 1.00 1.26 H new ATOM 0 HE2 TYR A 12 -1.347 -1.384 -11.314 1.00 1.16 H new ATOM 0 HH TYR A 12 0.189 -2.497 -10.185 1.00 2.11 H new ATOM 185 N LEU A 13 -2.652 3.601 -12.746 1.00 0.42 N ATOM 186 CA LEU A 13 -3.851 3.542 -11.918 1.00 0.35 C ATOM 187 C LEU A 13 -4.226 2.099 -11.603 1.00 0.29 C ATOM 188 O LEU A 13 -4.197 1.234 -12.479 1.00 0.35 O ATOM 189 CB LEU A 13 -5.017 4.242 -12.622 1.00 0.45 C ATOM 190 CG LEU A 13 -4.790 5.720 -12.951 1.00 0.59 C ATOM 191 CD1 LEU A 13 -5.955 6.268 -13.760 1.00 1.17 C ATOM 192 CD2 LEU A 13 -4.601 6.526 -11.674 1.00 0.93 C ATOM 0 H LEU A 13 -2.835 3.671 -13.747 1.00 0.42 H new ATOM 0 HA LEU A 13 -3.639 4.055 -10.980 1.00 0.35 H new ATOM 0 HB2 LEU A 13 -5.233 3.710 -13.548 1.00 0.45 H new ATOM 0 HB3 LEU A 13 -5.903 4.159 -11.992 1.00 0.45 H new ATOM 0 HG LEU A 13 -3.883 5.806 -13.550 1.00 0.59 H new ATOM 0 HD11 LEU A 13 -5.778 7.320 -13.986 1.00 1.17 H new ATOM 0 HD12 LEU A 13 -6.047 5.708 -14.690 1.00 1.17 H new ATOM 0 HD13 LEU A 13 -6.876 6.170 -13.185 1.00 1.17 H new ATOM 0 HD21 LEU A 13 -4.441 7.574 -11.926 1.00 0.93 H new ATOM 0 HD22 LEU A 13 -5.491 6.434 -11.051 1.00 0.93 H new ATOM 0 HD23 LEU A 13 -3.736 6.147 -11.129 1.00 0.93 H new ATOM 204 N ALA A 14 -4.579 1.847 -10.346 1.00 0.22 N ATOM 205 CA ALA A 14 -4.962 0.510 -9.910 1.00 0.20 C ATOM 206 C ALA A 14 -5.743 0.565 -8.601 1.00 0.20 C ATOM 207 O ALA A 14 -5.299 1.174 -7.627 1.00 0.32 O ATOM 208 CB ALA A 14 -3.730 -0.369 -9.759 1.00 0.30 C ATOM 0 H ALA A 14 -4.607 2.553 -9.611 1.00 0.22 H new ATOM 0 HA ALA A 14 -5.610 0.076 -10.671 1.00 0.20 H new ATOM 0 HB1 ALA A 14 -4.031 -1.365 -9.433 1.00 0.30 H new ATOM 0 HB2 ALA A 14 -3.215 -0.441 -10.717 1.00 0.30 H new ATOM 0 HB3 ALA A 14 -3.060 0.068 -9.019 1.00 0.30 H new ATOM 214 N SER A 15 -6.907 -0.076 -8.586 1.00 0.27 N ATOM 215 CA SER A 15 -7.754 -0.099 -7.397 1.00 0.32 C ATOM 216 C SER A 15 -7.437 -1.306 -6.520 1.00 0.30 C ATOM 217 O SER A 15 -7.256 -2.417 -7.018 1.00 0.29 O ATOM 218 CB SER A 15 -9.229 -0.123 -7.799 1.00 0.40 C ATOM 219 OG SER A 15 -9.544 -1.302 -8.518 1.00 1.30 O ATOM 0 H SER A 15 -7.286 -0.587 -9.383 1.00 0.27 H new ATOM 0 HA SER A 15 -7.552 0.805 -6.823 1.00 0.32 H new ATOM 0 HB2 SER A 15 -9.853 -0.060 -6.907 1.00 0.40 H new ATOM 0 HB3 SER A 15 -9.457 0.751 -8.410 1.00 0.40 H new ATOM 0 HG SER A 15 -9.036 -1.320 -9.356 1.00 1.30 H new ATOM 225 N LEU A 16 -7.371 -1.078 -5.211 1.00 0.31 N ATOM 226 CA LEU A 16 -7.080 -2.147 -4.262 1.00 0.30 C ATOM 227 C LEU A 16 -8.325 -2.993 -4.010 1.00 0.29 C ATOM 228 O LEU A 16 -9.372 -2.472 -3.624 1.00 0.37 O ATOM 229 CB LEU A 16 -6.569 -1.569 -2.937 1.00 0.34 C ATOM 230 CG LEU A 16 -5.145 -0.992 -2.963 1.00 0.35 C ATOM 231 CD1 LEU A 16 -4.149 -2.037 -3.441 1.00 1.11 C ATOM 232 CD2 LEU A 16 -5.079 0.250 -3.840 1.00 0.98 C ATOM 0 H LEU A 16 -7.515 -0.163 -4.784 1.00 0.31 H new ATOM 0 HA LEU A 16 -6.304 -2.779 -4.693 1.00 0.30 H new ATOM 0 HB2 LEU A 16 -7.253 -0.783 -2.618 1.00 0.34 H new ATOM 0 HB3 LEU A 16 -6.609 -2.353 -2.181 1.00 0.34 H new ATOM 0 HG LEU A 16 -4.879 -0.705 -1.946 1.00 0.35 H new ATOM 0 HD11 LEU A 16 -3.147 -1.607 -3.452 1.00 1.11 H new ATOM 0 HD12 LEU A 16 -4.169 -2.894 -2.767 1.00 1.11 H new ATOM 0 HD13 LEU A 16 -4.416 -2.360 -4.447 1.00 1.11 H new ATOM 0 HD21 LEU A 16 -4.061 0.640 -3.842 1.00 0.98 H new ATOM 0 HD22 LEU A 16 -5.371 -0.007 -4.858 1.00 0.98 H new ATOM 0 HD23 LEU A 16 -5.757 1.008 -3.449 1.00 0.98 H new ATOM 244 N SER A 17 -8.206 -4.299 -4.233 1.00 0.21 N ATOM 245 CA SER A 17 -9.328 -5.210 -4.029 1.00 0.21 C ATOM 246 C SER A 17 -8.928 -6.397 -3.156 1.00 0.19 C ATOM 247 O SER A 17 -7.934 -7.070 -3.426 1.00 0.22 O ATOM 248 CB SER A 17 -9.847 -5.713 -5.377 1.00 0.25 C ATOM 249 OG SER A 17 -10.304 -4.641 -6.183 1.00 0.98 O ATOM 0 H SER A 17 -7.348 -4.748 -4.553 1.00 0.21 H new ATOM 0 HA SER A 17 -10.117 -4.660 -3.516 1.00 0.21 H new ATOM 0 HB2 SER A 17 -9.054 -6.250 -5.897 1.00 0.25 H new ATOM 0 HB3 SER A 17 -10.659 -6.422 -5.215 1.00 0.25 H new ATOM 0 HG SER A 17 -10.628 -4.991 -7.039 1.00 0.98 H new ATOM 255 N THR A 18 -9.710 -6.650 -2.109 1.00 0.18 N ATOM 256 CA THR A 18 -9.440 -7.763 -1.206 1.00 0.19 C ATOM 257 C THR A 18 -9.627 -9.094 -1.926 1.00 0.21 C ATOM 258 O THR A 18 -10.284 -9.159 -2.965 1.00 0.31 O ATOM 259 CB THR A 18 -10.366 -7.726 0.023 1.00 0.18 C ATOM 260 OG1 THR A 18 -11.704 -8.063 -0.362 1.00 0.23 O ATOM 261 CG2 THR A 18 -10.353 -6.349 0.669 1.00 0.18 C ATOM 0 H THR A 18 -10.534 -6.100 -1.866 1.00 0.18 H new ATOM 0 HA THR A 18 -8.407 -7.666 -0.873 1.00 0.19 H new ATOM 0 HB THR A 18 -10.001 -8.454 0.747 1.00 0.18 H new ATOM 0 HG1 THR A 18 -12.248 -8.211 0.440 1.00 0.23 H new ATOM 0 HG21 THR A 18 -11.015 -6.347 1.535 1.00 0.18 H new ATOM 0 HG22 THR A 18 -9.339 -6.106 0.986 1.00 0.18 H new ATOM 0 HG23 THR A 18 -10.696 -5.606 -0.051 1.00 0.18 H new ATOM 269 N TYR A 19 -9.048 -10.153 -1.368 1.00 0.21 N ATOM 270 CA TYR A 19 -9.151 -11.481 -1.963 1.00 0.23 C ATOM 271 C TYR A 19 -10.578 -12.011 -1.864 1.00 0.24 C ATOM 272 O TYR A 19 -10.911 -13.037 -2.460 1.00 0.29 O ATOM 273 CB TYR A 19 -8.182 -12.448 -1.279 1.00 0.28 C ATOM 274 CG TYR A 19 -7.917 -13.706 -2.076 1.00 0.33 C ATOM 275 CD1 TYR A 19 -7.028 -13.698 -3.144 1.00 0.39 C ATOM 276 CD2 TYR A 19 -8.555 -14.901 -1.763 1.00 0.36 C ATOM 277 CE1 TYR A 19 -6.784 -14.844 -3.878 1.00 0.45 C ATOM 278 CE2 TYR A 19 -8.315 -16.051 -2.492 1.00 0.42 C ATOM 279 CZ TYR A 19 -7.430 -16.016 -3.549 1.00 0.45 C ATOM 280 OH TYR A 19 -7.189 -17.159 -4.277 1.00 0.52 O ATOM 0 H TYR A 19 -8.504 -10.117 -0.506 1.00 0.21 H new ATOM 0 HA TYR A 19 -8.885 -11.402 -3.017 1.00 0.23 H new ATOM 0 HB2 TYR A 19 -7.237 -11.936 -1.100 1.00 0.28 H new ATOM 0 HB3 TYR A 19 -8.585 -12.724 -0.304 1.00 0.28 H new ATOM 0 HD1 TYR A 19 -6.519 -12.782 -3.405 1.00 0.39 H new ATOM 0 HD2 TYR A 19 -9.250 -14.931 -0.937 1.00 0.36 H new ATOM 0 HE1 TYR A 19 -6.090 -14.821 -4.705 1.00 0.45 H new ATOM 0 HE2 TYR A 19 -8.818 -16.972 -2.235 1.00 0.42 H new ATOM 0 HH TYR A 19 -7.723 -17.896 -3.914 1.00 0.52 H new ATOM 290 N ASN A 20 -11.417 -11.307 -1.109 1.00 0.22 N ATOM 291 CA ASN A 20 -12.810 -11.707 -0.937 1.00 0.27 C ATOM 292 C ASN A 20 -13.691 -11.107 -2.029 1.00 0.26 C ATOM 293 O ASN A 20 -14.894 -10.923 -1.836 1.00 0.30 O ATOM 294 CB ASN A 20 -13.320 -11.275 0.440 1.00 0.32 C ATOM 295 CG ASN A 20 -12.637 -12.020 1.570 1.00 1.21 C ATOM 296 OD1 ASN A 20 -11.476 -12.415 1.458 1.00 2.23 O ATOM 297 ND2 ASN A 20 -13.358 -12.217 2.667 1.00 1.58 N ATOM 0 H ASN A 20 -11.157 -10.458 -0.607 1.00 0.22 H new ATOM 0 HA ASN A 20 -12.860 -12.793 -1.013 1.00 0.27 H new ATOM 0 HB2 ASN A 20 -13.158 -10.204 0.565 1.00 0.32 H new ATOM 0 HB3 ASN A 20 -14.395 -11.444 0.495 1.00 0.32 H new ATOM 0 HD21 ASN A 20 -12.953 -12.713 3.461 1.00 1.58 H new ATOM 0 HD22 ASN A 20 -14.317 -11.872 2.716 1.00 1.58 H new ATOM 304 N ASP A 21 -13.084 -10.806 -3.175 1.00 0.26 N ATOM 305 CA ASP A 21 -13.809 -10.228 -4.303 1.00 0.30 C ATOM 306 C ASP A 21 -14.472 -8.911 -3.911 1.00 0.31 C ATOM 307 O ASP A 21 -15.590 -8.616 -4.335 1.00 0.54 O ATOM 308 CB ASP A 21 -14.858 -11.212 -4.824 1.00 0.36 C ATOM 309 CG ASP A 21 -14.244 -12.528 -5.264 1.00 1.14 C ATOM 310 OD1 ASP A 21 -13.740 -12.596 -6.404 1.00 1.01 O ATOM 311 OD2 ASP A 21 -14.268 -13.490 -4.466 1.00 2.07 O ATOM 0 H ASP A 21 -12.089 -10.953 -3.347 1.00 0.26 H new ATOM 0 HA ASP A 21 -13.090 -10.025 -5.097 1.00 0.30 H new ATOM 0 HB2 ASP A 21 -15.595 -11.400 -4.044 1.00 0.36 H new ATOM 0 HB3 ASP A 21 -15.389 -10.763 -5.663 1.00 0.36 H new ATOM 316 N GLN A 22 -13.774 -8.126 -3.099 1.00 0.22 N ATOM 317 CA GLN A 22 -14.283 -6.835 -2.648 1.00 0.21 C ATOM 318 C GLN A 22 -13.292 -5.724 -2.976 1.00 0.20 C ATOM 319 O GLN A 22 -12.097 -5.972 -3.120 1.00 0.29 O ATOM 320 CB GLN A 22 -14.551 -6.867 -1.142 1.00 0.22 C ATOM 321 CG GLN A 22 -15.576 -7.908 -0.726 1.00 0.30 C ATOM 322 CD GLN A 22 -15.784 -7.954 0.775 1.00 0.37 C ATOM 323 OE1 GLN A 22 -15.639 -6.945 1.465 1.00 1.13 O ATOM 324 NE2 GLN A 22 -16.128 -9.129 1.289 1.00 1.17 N ATOM 0 H GLN A 22 -12.850 -8.362 -2.738 1.00 0.22 H new ATOM 0 HA GLN A 22 -15.218 -6.634 -3.170 1.00 0.21 H new ATOM 0 HB2 GLN A 22 -13.615 -7.063 -0.619 1.00 0.22 H new ATOM 0 HB3 GLN A 22 -14.895 -5.883 -0.822 1.00 0.22 H new ATOM 0 HG2 GLN A 22 -16.526 -7.692 -1.214 1.00 0.30 H new ATOM 0 HG3 GLN A 22 -15.254 -8.889 -1.075 1.00 0.30 H new ATOM 0 HE21 GLN A 22 -16.237 -9.940 0.680 1.00 1.17 H new ATOM 0 HE22 GLN A 22 -16.283 -9.221 2.293 1.00 1.17 H new ATOM 333 N SER A 23 -13.796 -4.500 -3.096 1.00 0.29 N ATOM 334 CA SER A 23 -12.949 -3.353 -3.407 1.00 0.31 C ATOM 335 C SER A 23 -12.910 -2.374 -2.240 1.00 0.26 C ATOM 336 O SER A 23 -13.872 -2.258 -1.481 1.00 0.23 O ATOM 337 CB SER A 23 -13.453 -2.643 -4.664 1.00 0.37 C ATOM 338 OG SER A 23 -14.776 -2.165 -4.484 1.00 1.17 O ATOM 0 H SER A 23 -14.785 -4.277 -2.983 1.00 0.29 H new ATOM 0 HA SER A 23 -11.938 -3.720 -3.586 1.00 0.31 H new ATOM 0 HB2 SER A 23 -12.792 -1.811 -4.905 1.00 0.37 H new ATOM 0 HB3 SER A 23 -13.423 -3.330 -5.510 1.00 0.37 H new ATOM 0 HG SER A 23 -14.822 -1.223 -4.749 1.00 1.17 H new ATOM 344 N ILE A 24 -11.791 -1.670 -2.105 1.00 0.28 N ATOM 345 CA ILE A 24 -11.623 -0.699 -1.031 1.00 0.26 C ATOM 346 C ILE A 24 -12.183 0.661 -1.439 1.00 0.26 C ATOM 347 O ILE A 24 -11.672 1.301 -2.359 1.00 0.45 O ATOM 348 CB ILE A 24 -10.137 -0.535 -0.655 1.00 0.29 C ATOM 349 CG1 ILE A 24 -9.463 -1.904 -0.503 1.00 0.32 C ATOM 350 CG2 ILE A 24 -9.999 0.281 0.623 1.00 0.31 C ATOM 351 CD1 ILE A 24 -10.015 -2.743 0.630 1.00 0.31 C ATOM 0 H ILE A 24 -10.987 -1.754 -2.727 1.00 0.28 H new ATOM 0 HA ILE A 24 -12.171 -1.075 -0.167 1.00 0.26 H new ATOM 0 HB ILE A 24 -9.634 0.002 -1.460 1.00 0.29 H new ATOM 0 HG12 ILE A 24 -9.572 -2.456 -1.436 1.00 0.32 H new ATOM 0 HG13 ILE A 24 -8.395 -1.755 -0.344 1.00 0.32 H new ATOM 0 HG21 ILE A 24 -8.944 0.387 0.875 1.00 0.31 H new ATOM 0 HG22 ILE A 24 -10.438 1.268 0.474 1.00 0.31 H new ATOM 0 HG23 ILE A 24 -10.516 -0.227 1.437 1.00 0.31 H new ATOM 0 HD11 ILE A 24 -9.485 -3.695 0.670 1.00 0.31 H new ATOM 0 HD12 ILE A 24 -9.881 -2.214 1.573 1.00 0.31 H new ATOM 0 HD13 ILE A 24 -11.077 -2.925 0.464 1.00 0.31 H new ATOM 363 N THR A 25 -13.234 1.098 -0.750 1.00 0.32 N ATOM 364 CA THR A 25 -13.861 2.382 -1.049 1.00 0.35 C ATOM 365 C THR A 25 -13.270 3.498 -0.194 1.00 0.38 C ATOM 366 O THR A 25 -13.278 3.424 1.035 1.00 0.46 O ATOM 367 CB THR A 25 -15.385 2.326 -0.827 1.00 0.40 C ATOM 368 OG1 THR A 25 -15.954 1.263 -1.600 1.00 0.40 O ATOM 369 CG2 THR A 25 -16.038 3.645 -1.217 1.00 0.44 C ATOM 0 H THR A 25 -13.668 0.584 0.017 1.00 0.32 H new ATOM 0 HA THR A 25 -13.662 2.595 -2.099 1.00 0.35 H new ATOM 0 HB THR A 25 -15.568 2.145 0.232 1.00 0.40 H new ATOM 0 HG1 THR A 25 -16.873 1.495 -1.849 1.00 0.40 H new ATOM 0 HG21 THR A 25 -17.114 3.581 -1.052 1.00 0.44 H new ATOM 0 HG22 THR A 25 -15.624 4.450 -0.609 1.00 0.44 H new ATOM 0 HG23 THR A 25 -15.844 3.850 -2.270 1.00 0.44 H new ATOM 377 N PHE A 26 -12.759 4.533 -0.856 1.00 0.37 N ATOM 378 CA PHE A 26 -12.163 5.670 -0.161 1.00 0.40 C ATOM 379 C PHE A 26 -13.099 6.873 -0.191 1.00 0.48 C ATOM 380 O PHE A 26 -13.127 7.627 -1.165 1.00 0.52 O ATOM 381 CB PHE A 26 -10.821 6.042 -0.799 1.00 0.39 C ATOM 382 CG PHE A 26 -9.842 4.904 -0.856 1.00 0.36 C ATOM 383 CD1 PHE A 26 -9.876 3.994 -1.900 1.00 0.38 C ATOM 384 CD2 PHE A 26 -8.885 4.746 0.134 1.00 0.37 C ATOM 385 CE1 PHE A 26 -8.975 2.947 -1.957 1.00 0.40 C ATOM 386 CE2 PHE A 26 -7.982 3.701 0.084 1.00 0.38 C ATOM 387 CZ PHE A 26 -8.027 2.801 -0.962 1.00 0.39 C ATOM 0 H PHE A 26 -12.746 4.607 -1.873 1.00 0.37 H new ATOM 0 HA PHE A 26 -11.997 5.382 0.877 1.00 0.40 H new ATOM 0 HB2 PHE A 26 -10.999 6.407 -1.810 1.00 0.39 H new ATOM 0 HB3 PHE A 26 -10.377 6.863 -0.237 1.00 0.39 H new ATOM 0 HD1 PHE A 26 -10.616 4.104 -2.679 1.00 0.38 H new ATOM 0 HD2 PHE A 26 -8.844 5.448 0.954 1.00 0.37 H new ATOM 0 HE1 PHE A 26 -9.012 2.245 -2.777 1.00 0.40 H new ATOM 0 HE2 PHE A 26 -7.242 3.588 0.862 1.00 0.38 H new ATOM 0 HZ PHE A 26 -7.322 1.984 -1.003 1.00 0.39 H new ATOM 397 N ALA A 27 -13.867 7.047 0.880 1.00 0.53 N ATOM 398 CA ALA A 27 -14.805 8.158 0.975 1.00 0.62 C ATOM 399 C ALA A 27 -14.128 9.401 1.541 1.00 0.64 C ATOM 400 O ALA A 27 -13.624 9.386 2.664 1.00 0.65 O ATOM 401 CB ALA A 27 -16.000 7.769 1.832 1.00 0.65 C ATOM 0 H ALA A 27 -13.858 6.432 1.694 1.00 0.53 H new ATOM 0 HA ALA A 27 -15.155 8.392 -0.030 1.00 0.62 H new ATOM 0 HB1 ALA A 27 -16.692 8.609 1.894 1.00 0.65 H new ATOM 0 HB2 ALA A 27 -16.506 6.914 1.384 1.00 0.65 H new ATOM 0 HB3 ALA A 27 -15.659 7.505 2.833 1.00 0.65 H new ATOM 407 N LEU A 28 -14.119 10.474 0.757 1.00 0.79 N ATOM 408 CA LEU A 28 -13.502 11.726 1.180 1.00 0.88 C ATOM 409 C LEU A 28 -14.557 12.808 1.389 1.00 0.88 C ATOM 410 O LEU A 28 -15.236 13.219 0.447 1.00 1.02 O ATOM 411 CB LEU A 28 -12.477 12.186 0.142 1.00 1.22 C ATOM 412 CG LEU A 28 -11.309 11.222 -0.081 1.00 1.08 C ATOM 413 CD1 LEU A 28 -10.591 11.546 -1.380 1.00 1.52 C ATOM 414 CD2 LEU A 28 -10.339 11.280 1.090 1.00 1.17 C ATOM 0 H LEU A 28 -14.532 10.502 -0.175 1.00 0.79 H new ATOM 0 HA LEU A 28 -12.995 11.553 2.129 1.00 0.88 H new ATOM 0 HB2 LEU A 28 -12.988 12.341 -0.808 1.00 1.22 H new ATOM 0 HB3 LEU A 28 -12.078 13.152 0.450 1.00 1.22 H new ATOM 0 HG LEU A 28 -11.708 10.210 -0.150 1.00 1.08 H new ATOM 0 HD11 LEU A 28 -9.764 10.851 -1.522 1.00 1.52 H new ATOM 0 HD12 LEU A 28 -11.288 11.456 -2.213 1.00 1.52 H new ATOM 0 HD13 LEU A 28 -10.205 12.565 -1.338 1.00 1.52 H new ATOM 0 HD21 LEU A 28 -9.515 10.588 0.915 1.00 1.17 H new ATOM 0 HD22 LEU A 28 -9.948 12.293 1.189 1.00 1.17 H new ATOM 0 HD23 LEU A 28 -10.858 11.001 2.007 1.00 1.17 H new ATOM 426 N GLU A 29 -14.689 13.262 2.631 1.00 0.83 N ATOM 427 CA GLU A 29 -15.663 14.294 2.971 1.00 0.96 C ATOM 428 C GLU A 29 -15.008 15.670 3.036 1.00 1.04 C ATOM 429 O GLU A 29 -13.850 15.836 2.652 1.00 1.03 O ATOM 430 CB GLU A 29 -16.334 13.976 4.309 1.00 1.00 C ATOM 431 CG GLU A 29 -17.296 12.800 4.249 1.00 1.07 C ATOM 432 CD GLU A 29 -16.612 11.497 3.884 1.00 1.79 C ATOM 433 OE1 GLU A 29 -15.967 10.896 4.768 1.00 2.32 O ATOM 434 OE2 GLU A 29 -16.724 11.077 2.712 1.00 2.42 O ATOM 0 H GLU A 29 -14.133 12.931 3.420 1.00 0.83 H new ATOM 0 HA GLU A 29 -16.419 14.309 2.186 1.00 0.96 H new ATOM 0 HB2 GLU A 29 -15.563 13.765 5.050 1.00 1.00 H new ATOM 0 HB3 GLU A 29 -16.874 14.858 4.653 1.00 1.00 H new ATOM 0 HG2 GLU A 29 -17.787 12.689 5.216 1.00 1.07 H new ATOM 0 HG3 GLU A 29 -18.076 13.012 3.518 1.00 1.07 H new ATOM 441 N ASP A 30 -15.767 16.651 3.519 1.00 1.19 N ATOM 442 CA ASP A 30 -15.282 18.024 3.640 1.00 1.30 C ATOM 443 C ASP A 30 -13.887 18.068 4.256 1.00 1.12 C ATOM 444 O ASP A 30 -13.015 18.800 3.788 1.00 1.19 O ATOM 445 CB ASP A 30 -16.250 18.849 4.490 1.00 1.51 C ATOM 446 CG ASP A 30 -15.779 20.277 4.683 1.00 1.91 C ATOM 447 OD1 ASP A 30 -15.041 20.532 5.658 1.00 2.56 O ATOM 448 OD2 ASP A 30 -16.150 21.140 3.861 1.00 2.03 O ATOM 0 H ASP A 30 -16.728 16.519 3.835 1.00 1.19 H new ATOM 0 HA ASP A 30 -15.224 18.449 2.638 1.00 1.30 H new ATOM 0 HB2 ASP A 30 -17.231 18.854 4.016 1.00 1.51 H new ATOM 0 HB3 ASP A 30 -16.369 18.374 5.464 1.00 1.51 H new ATOM 453 N GLU A 31 -13.681 17.283 5.309 1.00 0.94 N ATOM 454 CA GLU A 31 -12.390 17.238 5.985 1.00 0.83 C ATOM 455 C GLU A 31 -12.207 15.921 6.732 1.00 0.75 C ATOM 456 O GLU A 31 -11.227 15.739 7.457 1.00 0.74 O ATOM 457 CB GLU A 31 -12.257 18.416 6.954 1.00 0.84 C ATOM 458 CG GLU A 31 -13.344 18.455 8.016 1.00 0.91 C ATOM 459 CD GLU A 31 -13.240 19.675 8.911 1.00 0.99 C ATOM 460 OE1 GLU A 31 -13.849 20.712 8.574 1.00 0.95 O ATOM 461 OE2 GLU A 31 -12.549 19.593 9.949 1.00 1.15 O ATOM 0 H GLU A 31 -14.390 16.671 5.712 1.00 0.94 H new ATOM 0 HA GLU A 31 -11.610 17.311 5.227 1.00 0.83 H new ATOM 0 HB2 GLU A 31 -11.284 18.365 7.443 1.00 0.84 H new ATOM 0 HB3 GLU A 31 -12.281 19.347 6.387 1.00 0.84 H new ATOM 0 HG2 GLU A 31 -14.321 18.446 7.532 1.00 0.91 H new ATOM 0 HG3 GLU A 31 -13.283 17.554 8.627 1.00 0.91 H new ATOM 468 N SER A 32 -13.153 15.004 6.551 1.00 0.75 N ATOM 469 CA SER A 32 -13.093 13.703 7.207 1.00 0.72 C ATOM 470 C SER A 32 -12.534 12.645 6.260 1.00 0.67 C ATOM 471 O SER A 32 -12.566 12.812 5.040 1.00 0.83 O ATOM 472 CB SER A 32 -14.482 13.287 7.695 1.00 0.84 C ATOM 473 OG SER A 32 -14.426 12.069 8.417 1.00 1.53 O ATOM 0 H SER A 32 -13.970 15.138 5.955 1.00 0.75 H new ATOM 0 HA SER A 32 -12.427 13.787 8.066 1.00 0.72 H new ATOM 0 HB2 SER A 32 -14.898 14.070 8.329 1.00 0.84 H new ATOM 0 HB3 SER A 32 -15.153 13.177 6.843 1.00 0.84 H new ATOM 0 HG SER A 32 -15.326 11.826 8.719 1.00 1.53 H new ATOM 479 N TYR A 33 -12.021 11.557 6.829 1.00 0.57 N ATOM 480 CA TYR A 33 -11.452 10.474 6.034 1.00 0.50 C ATOM 481 C TYR A 33 -12.046 9.127 6.435 1.00 0.46 C ATOM 482 O TYR A 33 -11.533 8.452 7.328 1.00 0.59 O ATOM 483 CB TYR A 33 -9.931 10.440 6.197 1.00 0.53 C ATOM 484 CG TYR A 33 -9.246 11.710 5.745 1.00 0.60 C ATOM 485 CD1 TYR A 33 -9.033 12.759 6.631 1.00 0.72 C ATOM 486 CD2 TYR A 33 -8.812 11.860 4.434 1.00 0.58 C ATOM 487 CE1 TYR A 33 -8.407 13.922 6.223 1.00 0.80 C ATOM 488 CE2 TYR A 33 -8.185 13.020 4.018 1.00 0.67 C ATOM 489 CZ TYR A 33 -7.985 14.047 4.916 1.00 0.76 C ATOM 490 OH TYR A 33 -7.361 15.202 4.506 1.00 0.86 O ATOM 0 H TYR A 33 -11.988 11.403 7.837 1.00 0.57 H new ATOM 0 HA TYR A 33 -11.698 10.660 4.988 1.00 0.50 H new ATOM 0 HB2 TYR A 33 -9.690 10.260 7.245 1.00 0.53 H new ATOM 0 HB3 TYR A 33 -9.532 9.600 5.629 1.00 0.53 H new ATOM 0 HD1 TYR A 33 -9.362 12.664 7.655 1.00 0.72 H new ATOM 0 HD2 TYR A 33 -8.967 11.057 3.728 1.00 0.58 H new ATOM 0 HE1 TYR A 33 -8.249 14.728 6.924 1.00 0.80 H new ATOM 0 HE2 TYR A 33 -7.854 13.121 2.995 1.00 0.67 H new ATOM 0 HH TYR A 33 -6.675 14.985 3.840 1.00 0.86 H new ATOM 500 N GLU A 34 -13.129 8.741 5.768 1.00 0.46 N ATOM 501 CA GLU A 34 -13.791 7.474 6.052 1.00 0.42 C ATOM 502 C GLU A 34 -13.407 6.419 5.019 1.00 0.39 C ATOM 503 O GLU A 34 -13.467 6.667 3.814 1.00 0.46 O ATOM 504 CB GLU A 34 -15.311 7.659 6.072 1.00 0.50 C ATOM 505 CG GLU A 34 -15.792 8.624 7.145 1.00 0.55 C ATOM 506 CD GLU A 34 -15.435 8.163 8.544 1.00 1.50 C ATOM 507 OE1 GLU A 34 -16.229 7.406 9.140 1.00 1.48 O ATOM 508 OE2 GLU A 34 -14.360 8.559 9.043 1.00 2.46 O ATOM 0 H GLU A 34 -13.567 9.288 5.027 1.00 0.46 H new ATOM 0 HA GLU A 34 -13.463 7.133 7.034 1.00 0.42 H new ATOM 0 HB2 GLU A 34 -15.638 8.020 5.097 1.00 0.50 H new ATOM 0 HB3 GLU A 34 -15.785 6.690 6.228 1.00 0.50 H new ATOM 0 HG2 GLU A 34 -15.355 9.607 6.967 1.00 0.55 H new ATOM 0 HG3 GLU A 34 -16.873 8.737 7.068 1.00 0.55 H new ATOM 515 N ILE A 35 -13.010 5.243 5.498 1.00 0.34 N ATOM 516 CA ILE A 35 -12.613 4.152 4.615 1.00 0.32 C ATOM 517 C ILE A 35 -13.377 2.874 4.945 1.00 0.26 C ATOM 518 O ILE A 35 -13.465 2.475 6.105 1.00 0.32 O ATOM 519 CB ILE A 35 -11.101 3.869 4.717 1.00 0.39 C ATOM 520 CG1 ILE A 35 -10.303 5.166 4.555 1.00 0.46 C ATOM 521 CG2 ILE A 35 -10.684 2.849 3.666 1.00 0.44 C ATOM 522 CD1 ILE A 35 -8.820 5.002 4.810 1.00 0.54 C ATOM 0 H ILE A 35 -12.955 5.022 6.492 1.00 0.34 H new ATOM 0 HA ILE A 35 -12.851 4.465 3.598 1.00 0.32 H new ATOM 0 HB ILE A 35 -10.888 3.456 5.703 1.00 0.39 H new ATOM 0 HG12 ILE A 35 -10.449 5.549 3.545 1.00 0.46 H new ATOM 0 HG13 ILE A 35 -10.700 5.915 5.240 1.00 0.46 H new ATOM 0 HG21 ILE A 35 -9.614 2.658 3.749 1.00 0.44 H new ATOM 0 HG22 ILE A 35 -11.232 1.920 3.823 1.00 0.44 H new ATOM 0 HG23 ILE A 35 -10.907 3.238 2.673 1.00 0.44 H new ATOM 0 HD11 ILE A 35 -8.320 5.961 4.677 1.00 0.54 H new ATOM 0 HD12 ILE A 35 -8.663 4.649 5.829 1.00 0.54 H new ATOM 0 HD13 ILE A 35 -8.408 4.277 4.108 1.00 0.54 H new ATOM 534 N TYR A 36 -13.933 2.238 3.917 1.00 0.21 N ATOM 535 CA TYR A 36 -14.686 1.002 4.098 1.00 0.21 C ATOM 536 C TYR A 36 -14.637 0.139 2.840 1.00 0.23 C ATOM 537 O TYR A 36 -14.599 0.654 1.722 1.00 0.48 O ATOM 538 CB TYR A 36 -16.137 1.312 4.469 1.00 0.29 C ATOM 539 CG TYR A 36 -16.818 2.273 3.521 1.00 1.07 C ATOM 540 CD1 TYR A 36 -16.695 3.645 3.687 1.00 0.96 C ATOM 541 CD2 TYR A 36 -17.583 1.806 2.460 1.00 2.26 C ATOM 542 CE1 TYR A 36 -17.318 4.527 2.825 1.00 1.97 C ATOM 543 CE2 TYR A 36 -18.209 2.682 1.592 1.00 3.30 C ATOM 544 CZ TYR A 36 -18.073 4.041 1.780 1.00 3.14 C ATOM 545 OH TYR A 36 -18.696 4.915 0.919 1.00 4.17 O ATOM 0 H TYR A 36 -13.876 2.559 2.950 1.00 0.21 H new ATOM 0 HA TYR A 36 -14.224 0.443 4.912 1.00 0.21 H new ATOM 0 HB2 TYR A 36 -16.702 0.380 4.495 1.00 0.29 H new ATOM 0 HB3 TYR A 36 -16.164 1.729 5.476 1.00 0.29 H new ATOM 0 HD1 TYR A 36 -16.102 4.030 4.504 1.00 0.96 H new ATOM 0 HD2 TYR A 36 -17.691 0.742 2.310 1.00 2.26 H new ATOM 0 HE1 TYR A 36 -17.214 5.592 2.970 1.00 1.97 H new ATOM 0 HE2 TYR A 36 -18.801 2.304 0.772 1.00 3.30 H new ATOM 0 HH TYR A 36 -19.187 4.409 0.238 1.00 4.17 H new ATOM 555 N VAL A 37 -14.640 -1.177 3.034 1.00 0.19 N ATOM 556 CA VAL A 37 -14.596 -2.116 1.919 1.00 0.17 C ATOM 557 C VAL A 37 -16.003 -2.493 1.464 1.00 0.18 C ATOM 558 O VAL A 37 -16.843 -2.888 2.273 1.00 0.27 O ATOM 559 CB VAL A 37 -13.835 -3.401 2.296 1.00 0.21 C ATOM 560 CG1 VAL A 37 -13.656 -4.296 1.079 1.00 0.24 C ATOM 561 CG2 VAL A 37 -12.489 -3.063 2.920 1.00 0.24 C ATOM 0 H VAL A 37 -14.672 -1.617 3.954 1.00 0.19 H new ATOM 0 HA VAL A 37 -14.072 -1.615 1.105 1.00 0.17 H new ATOM 0 HB VAL A 37 -14.425 -3.945 3.033 1.00 0.21 H new ATOM 0 HG11 VAL A 37 -13.116 -5.198 1.367 1.00 0.24 H new ATOM 0 HG12 VAL A 37 -14.633 -4.569 0.681 1.00 0.24 H new ATOM 0 HG13 VAL A 37 -13.090 -3.763 0.315 1.00 0.24 H new ATOM 0 HG21 VAL A 37 -11.967 -3.984 3.179 1.00 0.24 H new ATOM 0 HG22 VAL A 37 -11.890 -2.495 2.208 1.00 0.24 H new ATOM 0 HG23 VAL A 37 -12.644 -2.468 3.820 1.00 0.24 H new ATOM 571 N GLU A 38 -16.252 -2.368 0.164 1.00 0.24 N ATOM 572 CA GLU A 38 -17.555 -2.698 -0.405 1.00 0.27 C ATOM 573 C GLU A 38 -17.462 -3.940 -1.285 1.00 0.31 C ATOM 574 O GLU A 38 -16.422 -4.211 -1.884 1.00 0.39 O ATOM 575 CB GLU A 38 -18.091 -1.519 -1.220 1.00 0.29 C ATOM 576 CG GLU A 38 -18.372 -0.280 -0.384 1.00 0.33 C ATOM 577 CD GLU A 38 -19.455 -0.509 0.652 1.00 1.05 C ATOM 578 OE1 GLU A 38 -19.123 -0.958 1.769 1.00 2.07 O ATOM 579 OE2 GLU A 38 -20.636 -0.238 0.346 1.00 0.89 O ATOM 0 H GLU A 38 -15.567 -2.040 -0.517 1.00 0.24 H new ATOM 0 HA GLU A 38 -18.242 -2.905 0.415 1.00 0.27 H new ATOM 0 HB2 GLU A 38 -17.369 -1.267 -1.997 1.00 0.29 H new ATOM 0 HB3 GLU A 38 -19.009 -1.823 -1.724 1.00 0.29 H new ATOM 0 HG2 GLU A 38 -17.455 0.031 0.117 1.00 0.33 H new ATOM 0 HG3 GLU A 38 -18.670 0.537 -1.041 1.00 0.33 H new ATOM 586 N ASP A 39 -18.556 -4.693 -1.359 1.00 0.35 N ATOM 587 CA ASP A 39 -18.597 -5.909 -2.164 1.00 0.43 C ATOM 588 C ASP A 39 -18.936 -5.593 -3.616 1.00 0.47 C ATOM 589 O ASP A 39 -19.763 -4.724 -3.896 1.00 0.61 O ATOM 590 CB ASP A 39 -19.623 -6.891 -1.592 1.00 0.52 C ATOM 591 CG ASP A 39 -19.317 -7.280 -0.159 1.00 1.42 C ATOM 592 OD1 ASP A 39 -19.712 -6.530 0.757 1.00 2.20 O ATOM 593 OD2 ASP A 39 -18.685 -8.338 0.046 1.00 1.91 O ATOM 0 H ASP A 39 -19.426 -4.482 -0.871 1.00 0.35 H new ATOM 0 HA ASP A 39 -17.608 -6.366 -2.133 1.00 0.43 H new ATOM 0 HB2 ASP A 39 -20.616 -6.443 -1.640 1.00 0.52 H new ATOM 0 HB3 ASP A 39 -19.648 -7.788 -2.211 1.00 0.52 H new ATOM 598 N LEU A 40 -18.292 -6.303 -4.538 1.00 0.46 N ATOM 599 CA LEU A 40 -18.525 -6.099 -5.964 1.00 0.53 C ATOM 600 C LEU A 40 -19.435 -7.184 -6.529 1.00 0.57 C ATOM 601 O LEU A 40 -19.626 -8.233 -5.914 1.00 0.62 O ATOM 602 CB LEU A 40 -17.196 -6.092 -6.725 1.00 0.62 C ATOM 603 CG LEU A 40 -16.210 -4.997 -6.315 1.00 0.86 C ATOM 604 CD1 LEU A 40 -14.924 -5.117 -7.119 1.00 1.05 C ATOM 605 CD2 LEU A 40 -16.828 -3.618 -6.501 1.00 1.02 C ATOM 0 H LEU A 40 -17.604 -7.025 -4.323 1.00 0.46 H new ATOM 0 HA LEU A 40 -19.016 -5.134 -6.089 1.00 0.53 H new ATOM 0 HB2 LEU A 40 -16.714 -7.060 -6.589 1.00 0.62 H new ATOM 0 HB3 LEU A 40 -17.407 -5.987 -7.789 1.00 0.62 H new ATOM 0 HG LEU A 40 -15.974 -5.125 -5.259 1.00 0.86 H new ATOM 0 HD11 LEU A 40 -14.231 -4.331 -6.817 1.00 1.05 H new ATOM 0 HD12 LEU A 40 -14.470 -6.091 -6.936 1.00 1.05 H new ATOM 0 HD13 LEU A 40 -15.148 -5.015 -8.181 1.00 1.05 H new ATOM 0 HD21 LEU A 40 -16.110 -2.854 -6.203 1.00 1.02 H new ATOM 0 HD22 LEU A 40 -17.095 -3.477 -7.548 1.00 1.02 H new ATOM 0 HD23 LEU A 40 -17.723 -3.534 -5.884 1.00 1.02 H new ATOM 617 N LYS A 41 -19.995 -6.920 -7.706 1.00 0.84 N ATOM 618 CA LYS A 41 -20.887 -7.869 -8.365 1.00 1.06 C ATOM 619 C LYS A 41 -20.676 -7.854 -9.876 1.00 1.17 C ATOM 620 O LYS A 41 -20.506 -8.902 -10.499 1.00 1.58 O ATOM 621 CB LYS A 41 -22.346 -7.540 -8.039 1.00 1.22 C ATOM 622 CG LYS A 41 -22.700 -7.714 -6.571 1.00 1.38 C ATOM 623 CD LYS A 41 -22.646 -9.174 -6.152 1.00 1.63 C ATOM 624 CE LYS A 41 -23.081 -9.355 -4.707 1.00 1.68 C ATOM 625 NZ LYS A 41 -22.976 -10.774 -4.269 1.00 2.27 N ATOM 0 H LYS A 41 -19.846 -6.054 -8.224 1.00 0.84 H new ATOM 0 HA LYS A 41 -20.655 -8.867 -7.993 1.00 1.06 H new ATOM 0 HB2 LYS A 41 -22.551 -6.511 -8.333 1.00 1.22 H new ATOM 0 HB3 LYS A 41 -22.995 -8.178 -8.638 1.00 1.22 H new ATOM 0 HG2 LYS A 41 -22.010 -7.133 -5.958 1.00 1.38 H new ATOM 0 HG3 LYS A 41 -23.699 -7.319 -6.388 1.00 1.38 H new ATOM 0 HD2 LYS A 41 -23.290 -9.765 -6.804 1.00 1.63 H new ATOM 0 HD3 LYS A 41 -21.632 -9.553 -6.278 1.00 1.63 H new ATOM 0 HE2 LYS A 41 -22.465 -8.729 -4.061 1.00 1.68 H new ATOM 0 HE3 LYS A 41 -24.110 -9.015 -4.592 1.00 1.68 H new ATOM 0 HZ1 LYS A 41 -23.282 -10.855 -3.278 1.00 2.27 H new ATOM 0 HZ2 LYS A 41 -23.584 -11.368 -4.869 1.00 2.27 H new ATOM 0 HZ3 LYS A 41 -21.989 -11.091 -4.354 1.00 2.27 H new ATOM 639 N LYS A 42 -20.688 -6.658 -10.456 1.00 1.21 N ATOM 640 CA LYS A 42 -20.497 -6.500 -11.893 1.00 1.37 C ATOM 641 C LYS A 42 -19.201 -5.746 -12.181 1.00 1.45 C ATOM 642 O LYS A 42 -18.461 -5.394 -11.263 1.00 1.51 O ATOM 643 CB LYS A 42 -21.682 -5.749 -12.506 1.00 1.51 C ATOM 644 CG LYS A 42 -23.036 -6.259 -12.037 1.00 1.51 C ATOM 645 CD LYS A 42 -23.283 -7.692 -12.478 1.00 1.81 C ATOM 646 CE LYS A 42 -24.586 -8.230 -11.910 1.00 1.87 C ATOM 647 NZ LYS A 42 -24.877 -9.609 -12.391 1.00 2.49 N ATOM 0 H LYS A 42 -20.828 -5.783 -9.952 1.00 1.21 H new ATOM 0 HA LYS A 42 -20.433 -7.491 -12.342 1.00 1.37 H new ATOM 0 HB2 LYS A 42 -21.597 -4.691 -12.260 1.00 1.51 H new ATOM 0 HB3 LYS A 42 -21.629 -5.829 -13.592 1.00 1.51 H new ATOM 0 HG2 LYS A 42 -23.090 -6.199 -10.950 1.00 1.51 H new ATOM 0 HG3 LYS A 42 -23.823 -5.616 -12.432 1.00 1.51 H new ATOM 0 HD2 LYS A 42 -23.312 -7.739 -13.567 1.00 1.81 H new ATOM 0 HD3 LYS A 42 -22.455 -8.322 -12.153 1.00 1.81 H new ATOM 0 HE2 LYS A 42 -24.535 -8.229 -10.821 1.00 1.87 H new ATOM 0 HE3 LYS A 42 -25.405 -7.568 -12.191 1.00 1.87 H new ATOM 0 HZ1 LYS A 42 -25.774 -9.938 -11.980 1.00 2.49 H new ATOM 0 HZ2 LYS A 42 -24.952 -9.606 -13.428 1.00 2.49 H new ATOM 0 HZ3 LYS A 42 -24.109 -10.247 -12.101 1.00 2.49 H new ATOM 661 N ASP A 43 -18.934 -5.501 -13.461 1.00 1.86 N ATOM 662 CA ASP A 43 -17.728 -4.788 -13.865 1.00 2.00 C ATOM 663 C ASP A 43 -17.934 -3.280 -13.759 1.00 1.95 C ATOM 664 O ASP A 43 -18.025 -2.581 -14.769 1.00 2.34 O ATOM 665 CB ASP A 43 -17.343 -5.165 -15.298 1.00 2.46 C ATOM 666 CG ASP A 43 -17.059 -6.647 -15.447 1.00 2.78 C ATOM 667 OD1 ASP A 43 -18.020 -7.416 -15.665 1.00 3.40 O ATOM 668 OD2 ASP A 43 -15.877 -7.039 -15.347 1.00 2.94 O ATOM 0 H ASP A 43 -19.536 -5.785 -14.234 1.00 1.86 H new ATOM 0 HA ASP A 43 -16.919 -5.076 -13.194 1.00 2.00 H new ATOM 0 HB2 ASP A 43 -18.149 -4.882 -15.975 1.00 2.46 H new ATOM 0 HB3 ASP A 43 -16.462 -4.597 -15.597 1.00 2.46 H new ATOM 673 N GLU A 44 -18.004 -2.786 -12.526 1.00 1.52 N ATOM 674 CA GLU A 44 -18.206 -1.362 -12.282 1.00 1.51 C ATOM 675 C GLU A 44 -16.892 -0.674 -11.923 1.00 1.33 C ATOM 676 O GLU A 44 -16.232 -1.046 -10.952 1.00 1.10 O ATOM 677 CB GLU A 44 -19.223 -1.161 -11.158 1.00 1.42 C ATOM 678 CG GLU A 44 -20.584 -1.769 -11.456 1.00 1.69 C ATOM 679 CD GLU A 44 -21.224 -1.185 -12.700 1.00 2.24 C ATOM 680 OE1 GLU A 44 -20.971 -1.715 -13.802 1.00 2.84 O ATOM 681 OE2 GLU A 44 -21.978 -0.198 -12.572 1.00 2.42 O ATOM 0 H GLU A 44 -17.924 -3.351 -11.681 1.00 1.52 H new ATOM 0 HA GLU A 44 -18.588 -0.912 -13.199 1.00 1.51 H new ATOM 0 HB2 GLU A 44 -18.831 -1.600 -10.241 1.00 1.42 H new ATOM 0 HB3 GLU A 44 -19.343 -0.093 -10.974 1.00 1.42 H new ATOM 0 HG2 GLU A 44 -20.477 -2.847 -11.579 1.00 1.69 H new ATOM 0 HG3 GLU A 44 -21.244 -1.609 -10.603 1.00 1.69 H new ATOM 688 N LYS A 45 -16.519 0.329 -12.713 1.00 1.57 N ATOM 689 CA LYS A 45 -15.287 1.073 -12.477 1.00 1.48 C ATOM 690 C LYS A 45 -15.331 1.784 -11.129 1.00 1.22 C ATOM 691 O LYS A 45 -15.960 2.834 -10.991 1.00 1.49 O ATOM 692 CB LYS A 45 -15.051 2.092 -13.594 1.00 1.83 C ATOM 693 CG LYS A 45 -14.535 1.481 -14.893 1.00 2.22 C ATOM 694 CD LYS A 45 -15.552 0.544 -15.528 1.00 1.95 C ATOM 695 CE LYS A 45 -16.825 1.281 -15.913 1.00 2.20 C ATOM 696 NZ LYS A 45 -17.865 0.357 -16.443 1.00 3.04 N ATOM 0 H LYS A 45 -17.053 0.645 -13.522 1.00 1.57 H new ATOM 0 HA LYS A 45 -14.463 0.360 -12.468 1.00 1.48 H new ATOM 0 HB2 LYS A 45 -15.985 2.616 -13.797 1.00 1.83 H new ATOM 0 HB3 LYS A 45 -14.336 2.838 -13.246 1.00 1.83 H new ATOM 0 HG2 LYS A 45 -14.289 2.278 -15.595 1.00 2.22 H new ATOM 0 HG3 LYS A 45 -13.613 0.934 -14.695 1.00 2.22 H new ATOM 0 HD2 LYS A 45 -15.117 0.080 -16.413 1.00 1.95 H new ATOM 0 HD3 LYS A 45 -15.792 -0.260 -14.832 1.00 1.95 H new ATOM 0 HE2 LYS A 45 -17.217 1.807 -15.042 1.00 2.20 H new ATOM 0 HE3 LYS A 45 -16.594 2.036 -16.664 1.00 2.20 H new ATOM 0 HZ1 LYS A 45 -18.799 0.810 -16.375 1.00 3.04 H new ATOM 0 HZ2 LYS A 45 -17.659 0.136 -17.438 1.00 3.04 H new ATOM 0 HZ3 LYS A 45 -17.865 -0.521 -15.886 1.00 3.04 H new ATOM 710 N LYS A 46 -14.659 1.208 -10.135 1.00 0.85 N ATOM 711 CA LYS A 46 -14.626 1.790 -8.797 1.00 0.63 C ATOM 712 C LYS A 46 -13.494 2.806 -8.668 1.00 0.59 C ATOM 713 O LYS A 46 -12.931 3.253 -9.668 1.00 0.73 O ATOM 714 CB LYS A 46 -14.469 0.689 -7.744 1.00 0.43 C ATOM 715 CG LYS A 46 -15.688 -0.213 -7.614 1.00 0.49 C ATOM 716 CD LYS A 46 -16.911 0.559 -7.147 1.00 0.75 C ATOM 717 CE LYS A 46 -18.120 -0.351 -7.014 1.00 0.88 C ATOM 718 NZ LYS A 46 -19.358 0.411 -6.688 1.00 1.71 N ATOM 0 H LYS A 46 -14.131 0.340 -10.231 1.00 0.85 H new ATOM 0 HA LYS A 46 -15.570 2.309 -8.631 1.00 0.63 H new ATOM 0 HB2 LYS A 46 -13.602 0.079 -7.996 1.00 0.43 H new ATOM 0 HB3 LYS A 46 -14.264 1.150 -6.778 1.00 0.43 H new ATOM 0 HG2 LYS A 46 -15.898 -0.681 -8.576 1.00 0.49 H new ATOM 0 HG3 LYS A 46 -15.473 -1.016 -6.909 1.00 0.49 H new ATOM 0 HD2 LYS A 46 -16.701 1.031 -6.187 1.00 0.75 H new ATOM 0 HD3 LYS A 46 -17.131 1.359 -7.854 1.00 0.75 H new ATOM 0 HE2 LYS A 46 -18.266 -0.899 -7.945 1.00 0.88 H new ATOM 0 HE3 LYS A 46 -17.934 -1.090 -6.235 1.00 0.88 H new ATOM 0 HZ1 LYS A 46 -20.159 -0.247 -6.606 1.00 1.71 H new ATOM 0 HZ2 LYS A 46 -19.229 0.914 -5.787 1.00 1.71 H new ATOM 0 HZ3 LYS A 46 -19.551 1.099 -7.443 1.00 1.71 H new ATOM 732 N ASP A 47 -13.169 3.172 -7.431 1.00 0.48 N ATOM 733 CA ASP A 47 -12.110 4.141 -7.168 1.00 0.44 C ATOM 734 C ASP A 47 -10.731 3.531 -7.404 1.00 0.39 C ATOM 735 O ASP A 47 -10.350 2.560 -6.750 1.00 0.42 O ATOM 736 CB ASP A 47 -12.211 4.658 -5.732 1.00 0.45 C ATOM 737 CG ASP A 47 -11.132 5.674 -5.406 1.00 1.22 C ATOM 738 OD1 ASP A 47 -11.361 6.879 -5.640 1.00 1.14 O ATOM 739 OD2 ASP A 47 -10.059 5.263 -4.916 1.00 2.20 O ATOM 0 H ASP A 47 -13.625 2.811 -6.593 1.00 0.48 H new ATOM 0 HA ASP A 47 -12.238 4.973 -7.860 1.00 0.44 H new ATOM 0 HB2 ASP A 47 -13.191 5.111 -5.580 1.00 0.45 H new ATOM 0 HB3 ASP A 47 -12.137 3.819 -5.040 1.00 0.45 H new ATOM 744 N LYS A 48 -9.985 4.112 -8.340 1.00 0.37 N ATOM 745 CA LYS A 48 -8.645 3.634 -8.660 1.00 0.34 C ATOM 746 C LYS A 48 -7.589 4.439 -7.911 1.00 0.30 C ATOM 747 O LYS A 48 -7.715 5.654 -7.755 1.00 0.39 O ATOM 748 CB LYS A 48 -8.396 3.713 -10.168 1.00 0.41 C ATOM 749 CG LYS A 48 -8.801 2.456 -10.924 1.00 0.46 C ATOM 750 CD LYS A 48 -10.272 2.124 -10.723 1.00 0.64 C ATOM 751 CE LYS A 48 -10.643 0.808 -11.388 1.00 0.82 C ATOM 752 NZ LYS A 48 -12.059 0.429 -11.122 1.00 1.35 N ATOM 0 H LYS A 48 -10.287 4.916 -8.890 1.00 0.37 H new ATOM 0 HA LYS A 48 -8.572 2.593 -8.345 1.00 0.34 H new ATOM 0 HB2 LYS A 48 -8.945 4.563 -10.574 1.00 0.41 H new ATOM 0 HB3 LYS A 48 -7.337 3.905 -10.342 1.00 0.41 H new ATOM 0 HG2 LYS A 48 -8.601 2.591 -11.987 1.00 0.46 H new ATOM 0 HG3 LYS A 48 -8.190 1.618 -10.589 1.00 0.46 H new ATOM 0 HD2 LYS A 48 -10.491 2.068 -9.657 1.00 0.64 H new ATOM 0 HD3 LYS A 48 -10.886 2.926 -11.133 1.00 0.64 H new ATOM 0 HE2 LYS A 48 -10.485 0.888 -12.464 1.00 0.82 H new ATOM 0 HE3 LYS A 48 -9.983 0.020 -11.026 1.00 0.82 H new ATOM 0 HZ1 LYS A 48 -12.257 -0.498 -11.550 1.00 1.35 H new ATOM 0 HZ2 LYS A 48 -12.218 0.377 -10.095 1.00 1.35 H new ATOM 0 HZ3 LYS A 48 -12.693 1.143 -11.535 1.00 1.35 H new ATOM 766 N VAL A 49 -6.548 3.754 -7.446 1.00 0.29 N ATOM 767 CA VAL A 49 -5.472 4.403 -6.707 1.00 0.27 C ATOM 768 C VAL A 49 -4.195 4.482 -7.540 1.00 0.23 C ATOM 769 O VAL A 49 -3.762 3.489 -8.123 1.00 0.28 O ATOM 770 CB VAL A 49 -5.170 3.655 -5.392 1.00 0.31 C ATOM 771 CG1 VAL A 49 -4.152 4.420 -4.561 1.00 0.61 C ATOM 772 CG2 VAL A 49 -6.448 3.422 -4.601 1.00 0.87 C ATOM 0 H VAL A 49 -6.428 2.749 -7.569 1.00 0.29 H new ATOM 0 HA VAL A 49 -5.810 5.413 -6.477 1.00 0.27 H new ATOM 0 HB VAL A 49 -4.743 2.683 -5.641 1.00 0.31 H new ATOM 0 HG11 VAL A 49 -3.953 3.876 -3.638 1.00 0.61 H new ATOM 0 HG12 VAL A 49 -3.226 4.526 -5.127 1.00 0.61 H new ATOM 0 HG13 VAL A 49 -4.546 5.408 -4.322 1.00 0.61 H new ATOM 0 HG21 VAL A 49 -6.213 2.893 -3.677 1.00 0.87 H new ATOM 0 HG22 VAL A 49 -6.909 4.381 -4.363 1.00 0.87 H new ATOM 0 HG23 VAL A 49 -7.140 2.825 -5.195 1.00 0.87 H new ATOM 782 N LEU A 50 -3.597 5.669 -7.590 1.00 0.21 N ATOM 783 CA LEU A 50 -2.367 5.877 -8.348 1.00 0.21 C ATOM 784 C LEU A 50 -1.190 5.193 -7.660 1.00 0.20 C ATOM 785 O LEU A 50 -0.678 5.688 -6.654 1.00 0.26 O ATOM 786 CB LEU A 50 -2.082 7.373 -8.502 1.00 0.24 C ATOM 787 CG LEU A 50 -0.854 7.718 -9.349 1.00 0.29 C ATOM 788 CD1 LEU A 50 -1.057 7.284 -10.792 1.00 0.31 C ATOM 789 CD2 LEU A 50 -0.562 9.209 -9.273 1.00 0.35 C ATOM 0 H LEU A 50 -3.944 6.502 -7.114 1.00 0.21 H new ATOM 0 HA LEU A 50 -2.498 5.438 -9.337 1.00 0.21 H new ATOM 0 HB2 LEU A 50 -2.956 7.849 -8.947 1.00 0.24 H new ATOM 0 HB3 LEU A 50 -1.953 7.806 -7.510 1.00 0.24 H new ATOM 0 HG LEU A 50 0.004 7.177 -8.950 1.00 0.29 H new ATOM 0 HD11 LEU A 50 -0.173 7.539 -11.376 1.00 0.31 H new ATOM 0 HD12 LEU A 50 -1.218 6.207 -10.829 1.00 0.31 H new ATOM 0 HD13 LEU A 50 -1.926 7.795 -11.207 1.00 0.31 H new ATOM 0 HD21 LEU A 50 0.314 9.440 -9.880 1.00 0.35 H new ATOM 0 HD22 LEU A 50 -1.420 9.767 -9.647 1.00 0.35 H new ATOM 0 HD23 LEU A 50 -0.370 9.490 -8.237 1.00 0.35 H new ATOM 801 N LEU A 51 -0.765 4.057 -8.205 1.00 0.20 N ATOM 802 CA LEU A 51 0.348 3.308 -7.630 1.00 0.22 C ATOM 803 C LEU A 51 1.636 3.549 -8.412 1.00 0.23 C ATOM 804 O LEU A 51 1.630 3.584 -9.644 1.00 0.37 O ATOM 805 CB LEU A 51 0.029 1.808 -7.604 1.00 0.24 C ATOM 806 CG LEU A 51 -1.392 1.437 -7.156 1.00 0.58 C ATOM 807 CD1 LEU A 51 -1.452 -0.024 -6.740 1.00 0.98 C ATOM 808 CD2 LEU A 51 -1.861 2.332 -6.017 1.00 1.50 C ATOM 0 H LEU A 51 -1.172 3.636 -9.040 1.00 0.20 H new ATOM 0 HA LEU A 51 0.493 3.660 -6.609 1.00 0.22 H new ATOM 0 HB2 LEU A 51 0.193 1.403 -8.603 1.00 0.24 H new ATOM 0 HB3 LEU A 51 0.740 1.316 -6.940 1.00 0.24 H new ATOM 0 HG LEU A 51 -2.062 1.590 -8.002 1.00 0.58 H new ATOM 0 HD11 LEU A 51 -2.466 -0.271 -6.425 1.00 0.98 H new ATOM 0 HD12 LEU A 51 -1.170 -0.654 -7.583 1.00 0.98 H new ATOM 0 HD13 LEU A 51 -0.763 -0.195 -5.913 1.00 0.98 H new ATOM 0 HD21 LEU A 51 -2.870 2.046 -5.721 1.00 1.50 H new ATOM 0 HD22 LEU A 51 -1.188 2.221 -5.167 1.00 1.50 H new ATOM 0 HD23 LEU A 51 -1.861 3.371 -6.347 1.00 1.50 H new ATOM 820 N SER A 52 2.737 3.714 -7.684 1.00 0.17 N ATOM 821 CA SER A 52 4.040 3.945 -8.300 1.00 0.18 C ATOM 822 C SER A 52 5.094 3.023 -7.696 1.00 0.20 C ATOM 823 O SER A 52 5.038 2.696 -6.513 1.00 0.28 O ATOM 824 CB SER A 52 4.462 5.404 -8.122 1.00 0.18 C ATOM 825 OG SER A 52 5.751 5.633 -8.667 1.00 1.18 O ATOM 0 H SER A 52 2.752 3.692 -6.664 1.00 0.17 H new ATOM 0 HA SER A 52 3.955 3.727 -9.365 1.00 0.18 H new ATOM 0 HB2 SER A 52 3.737 6.057 -8.608 1.00 0.18 H new ATOM 0 HB3 SER A 52 4.461 5.659 -7.062 1.00 0.18 H new ATOM 0 HG SER A 52 6.389 5.798 -7.941 1.00 1.18 H new ATOM 831 N TYR A 53 6.055 2.608 -8.515 1.00 0.19 N ATOM 832 CA TYR A 53 7.117 1.719 -8.054 1.00 0.21 C ATOM 833 C TYR A 53 8.419 2.479 -7.821 1.00 0.20 C ATOM 834 O TYR A 53 8.735 3.427 -8.538 1.00 0.21 O ATOM 835 CB TYR A 53 7.346 0.593 -9.063 1.00 0.25 C ATOM 836 CG TYR A 53 6.337 -0.528 -8.959 1.00 0.36 C ATOM 837 CD1 TYR A 53 5.041 -0.371 -9.435 1.00 0.52 C ATOM 838 CD2 TYR A 53 6.681 -1.745 -8.384 1.00 0.52 C ATOM 839 CE1 TYR A 53 4.119 -1.395 -9.340 1.00 0.65 C ATOM 840 CE2 TYR A 53 5.764 -2.773 -8.286 1.00 0.64 C ATOM 841 CZ TYR A 53 4.484 -2.593 -8.766 1.00 0.66 C ATOM 842 OH TYR A 53 3.565 -3.614 -8.672 1.00 0.82 O ATOM 0 H TYR A 53 6.121 2.872 -9.498 1.00 0.19 H new ATOM 0 HA TYR A 53 6.799 1.291 -7.104 1.00 0.21 H new ATOM 0 HB2 TYR A 53 7.314 1.007 -10.071 1.00 0.25 H new ATOM 0 HB3 TYR A 53 8.346 0.185 -8.918 1.00 0.25 H new ATOM 0 HD1 TYR A 53 4.750 0.566 -9.886 1.00 0.52 H new ATOM 0 HD2 TYR A 53 7.683 -1.890 -8.007 1.00 0.52 H new ATOM 0 HE1 TYR A 53 3.115 -1.257 -9.714 1.00 0.65 H new ATOM 0 HE2 TYR A 53 6.048 -3.713 -7.836 1.00 0.64 H new ATOM 0 HH TYR A 53 4.029 -4.476 -8.711 1.00 0.82 H new ATOM 852 N TYR A 54 9.167 2.052 -6.808 1.00 0.21 N ATOM 853 CA TYR A 54 10.441 2.677 -6.470 1.00 0.22 C ATOM 854 C TYR A 54 11.480 1.620 -6.108 1.00 0.25 C ATOM 855 O TYR A 54 11.173 0.649 -5.420 1.00 0.31 O ATOM 856 CB TYR A 54 10.264 3.655 -5.304 1.00 0.22 C ATOM 857 CG TYR A 54 9.415 4.861 -5.643 1.00 0.23 C ATOM 858 CD1 TYR A 54 8.028 4.803 -5.573 1.00 0.22 C ATOM 859 CD2 TYR A 54 10.002 6.059 -6.034 1.00 0.31 C ATOM 860 CE1 TYR A 54 7.252 5.903 -5.884 1.00 0.25 C ATOM 861 CE2 TYR A 54 9.231 7.162 -6.346 1.00 0.35 C ATOM 862 CZ TYR A 54 7.857 7.080 -6.269 1.00 0.30 C ATOM 863 OH TYR A 54 7.087 8.177 -6.579 1.00 0.35 O ATOM 0 H TYR A 54 8.911 1.271 -6.204 1.00 0.21 H new ATOM 0 HA TYR A 54 10.792 3.227 -7.343 1.00 0.22 H new ATOM 0 HB2 TYR A 54 9.811 3.127 -4.465 1.00 0.22 H new ATOM 0 HB3 TYR A 54 11.246 3.994 -4.974 1.00 0.22 H new ATOM 0 HD1 TYR A 54 7.549 3.883 -5.271 1.00 0.22 H new ATOM 0 HD2 TYR A 54 11.078 6.128 -6.095 1.00 0.31 H new ATOM 0 HE1 TYR A 54 6.175 5.841 -5.826 1.00 0.25 H new ATOM 0 HE2 TYR A 54 9.703 8.085 -6.649 1.00 0.35 H new ATOM 0 HH TYR A 54 7.669 8.925 -6.830 1.00 0.35 H new ATOM 873 N GLU A 55 12.709 1.811 -6.580 1.00 0.26 N ATOM 874 CA GLU A 55 13.789 0.869 -6.299 1.00 0.30 C ATOM 875 C GLU A 55 14.810 1.477 -5.343 1.00 0.33 C ATOM 876 O GLU A 55 15.214 2.630 -5.500 1.00 0.53 O ATOM 877 CB GLU A 55 14.479 0.441 -7.596 1.00 0.44 C ATOM 878 CG GLU A 55 15.037 1.601 -8.406 1.00 1.14 C ATOM 879 CD GLU A 55 15.849 1.141 -9.601 1.00 1.52 C ATOM 880 OE1 GLU A 55 17.061 0.889 -9.434 1.00 2.05 O ATOM 881 OE2 GLU A 55 15.273 1.032 -10.704 1.00 1.73 O ATOM 0 H GLU A 55 12.982 2.607 -7.157 1.00 0.26 H new ATOM 0 HA GLU A 55 13.351 -0.009 -5.824 1.00 0.30 H new ATOM 0 HB2 GLU A 55 15.291 -0.246 -7.355 1.00 0.44 H new ATOM 0 HB3 GLU A 55 13.767 -0.110 -8.211 1.00 0.44 H new ATOM 0 HG2 GLU A 55 14.214 2.228 -8.750 1.00 1.14 H new ATOM 0 HG3 GLU A 55 15.662 2.220 -7.763 1.00 1.14 H new ATOM 888 N SER A 56 15.223 0.693 -4.352 1.00 0.45 N ATOM 889 CA SER A 56 16.199 1.152 -3.369 1.00 0.57 C ATOM 890 C SER A 56 17.601 0.676 -3.736 1.00 0.83 C ATOM 891 O SER A 56 17.804 -0.492 -4.068 1.00 1.21 O ATOM 892 CB SER A 56 15.826 0.647 -1.975 1.00 0.71 C ATOM 893 OG SER A 56 16.759 1.090 -1.003 1.00 1.19 O ATOM 0 H SER A 56 14.897 -0.263 -4.208 1.00 0.45 H new ATOM 0 HA SER A 56 16.192 2.242 -3.366 1.00 0.57 H new ATOM 0 HB2 SER A 56 14.828 0.999 -1.713 1.00 0.71 H new ATOM 0 HB3 SER A 56 15.789 -0.442 -1.978 1.00 0.71 H new ATOM 0 HG SER A 56 16.496 0.755 -0.120 1.00 1.19 H new ATOM 899 N GLN A 57 18.566 1.590 -3.674 1.00 0.92 N ATOM 900 CA GLN A 57 19.950 1.262 -4.002 1.00 1.22 C ATOM 901 C GLN A 57 20.810 1.201 -2.744 1.00 1.17 C ATOM 902 O GLN A 57 20.986 2.203 -2.048 1.00 1.33 O ATOM 903 CB GLN A 57 20.524 2.291 -4.979 1.00 1.70 C ATOM 904 CG GLN A 57 19.797 2.332 -6.313 1.00 1.81 C ATOM 905 CD GLN A 57 20.445 3.281 -7.302 1.00 2.29 C ATOM 906 OE1 GLN A 57 21.042 4.286 -6.916 1.00 2.89 O ATOM 907 NE2 GLN A 57 20.333 2.964 -8.587 1.00 2.56 N ATOM 0 H GLN A 57 18.415 2.561 -3.400 1.00 0.92 H new ATOM 0 HA GLN A 57 19.961 0.279 -4.474 1.00 1.22 H new ATOM 0 HB2 GLN A 57 20.481 3.279 -4.520 1.00 1.70 H new ATOM 0 HB3 GLN A 57 21.576 2.066 -5.154 1.00 1.70 H new ATOM 0 HG2 GLN A 57 19.772 1.329 -6.740 1.00 1.81 H new ATOM 0 HG3 GLN A 57 18.763 2.634 -6.150 1.00 1.81 H new ATOM 0 HE21 GLN A 57 19.829 2.121 -8.862 1.00 2.56 H new ATOM 0 HE22 GLN A 57 20.751 3.564 -9.298 1.00 2.56 H new ATOM 916 N HIS A 58 21.346 0.019 -2.460 1.00 1.16 N ATOM 917 CA HIS A 58 22.191 -0.179 -1.287 1.00 1.25 C ATOM 918 C HIS A 58 23.667 -0.015 -1.648 1.00 1.32 C ATOM 919 O HIS A 58 24.084 -0.374 -2.750 1.00 1.40 O ATOM 920 CB HIS A 58 21.951 -1.567 -0.692 1.00 1.42 C ATOM 921 CG HIS A 58 20.558 -1.767 -0.179 1.00 1.68 C ATOM 922 ND1 HIS A 58 20.237 -1.723 1.163 1.00 2.18 N ATOM 923 CD2 HIS A 58 19.398 -2.014 -0.832 1.00 2.23 C ATOM 924 CE1 HIS A 58 18.942 -1.937 1.311 1.00 2.52 C ATOM 925 NE2 HIS A 58 18.411 -2.114 0.117 1.00 2.46 N ATOM 0 H HIS A 58 21.210 -0.818 -3.027 1.00 1.16 H new ATOM 0 HA HIS A 58 21.930 0.577 -0.547 1.00 1.25 H new ATOM 0 HB2 HIS A 58 22.161 -2.320 -1.452 1.00 1.42 H new ATOM 0 HB3 HIS A 58 22.656 -1.731 0.123 1.00 1.42 H new ATOM 0 HD2 HIS A 58 19.273 -2.114 -1.900 1.00 2.23 H new ATOM 0 HE1 HIS A 58 18.409 -1.963 2.250 1.00 2.52 H new ATOM 0 HE2 HIS A 58 17.425 -2.296 -0.071 1.00 2.46 H new ATOM 934 N PRO A 59 24.479 0.532 -0.723 1.00 1.53 N ATOM 935 CA PRO A 59 25.911 0.740 -0.957 1.00 1.67 C ATOM 936 C PRO A 59 26.695 -0.567 -0.942 1.00 1.84 C ATOM 937 O PRO A 59 26.463 -1.431 -0.097 1.00 2.52 O ATOM 938 CB PRO A 59 26.336 1.630 0.212 1.00 2.10 C ATOM 939 CG PRO A 59 25.373 1.304 1.300 1.00 2.33 C ATOM 940 CD PRO A 59 24.068 0.989 0.621 1.00 1.88 C ATOM 0 HA PRO A 59 26.105 1.178 -1.936 1.00 1.67 H new ATOM 0 HB2 PRO A 59 27.362 1.423 0.515 1.00 2.10 H new ATOM 0 HB3 PRO A 59 26.290 2.686 -0.056 1.00 2.10 H new ATOM 0 HG2 PRO A 59 25.722 0.455 1.888 1.00 2.33 H new ATOM 0 HG3 PRO A 59 25.262 2.143 1.987 1.00 2.33 H new ATOM 0 HD2 PRO A 59 23.514 0.217 1.155 1.00 1.88 H new ATOM 0 HD3 PRO A 59 23.422 1.865 0.567 1.00 1.88 H new ATOM 948 N SER A 60 27.625 -0.705 -1.882 1.00 1.87 N ATOM 949 CA SER A 60 28.442 -1.909 -1.975 1.00 2.25 C ATOM 950 C SER A 60 29.794 -1.700 -1.298 1.00 2.28 C ATOM 951 O SER A 60 30.242 -0.566 -1.125 1.00 2.89 O ATOM 952 CB SER A 60 28.645 -2.302 -3.440 1.00 2.98 C ATOM 953 OG SER A 60 29.424 -3.480 -3.549 1.00 3.59 O ATOM 0 H SER A 60 27.831 0.001 -2.589 1.00 1.87 H new ATOM 0 HA SER A 60 27.919 -2.715 -1.461 1.00 2.25 H new ATOM 0 HB2 SER A 60 27.677 -2.457 -3.916 1.00 2.98 H new ATOM 0 HB3 SER A 60 29.135 -1.488 -3.974 1.00 2.98 H new ATOM 0 HG SER A 60 30.375 -3.246 -3.531 1.00 3.59 H new ATOM 959 N ASN A 61 30.435 -2.802 -0.919 1.00 2.36 N ATOM 960 CA ASN A 61 31.737 -2.749 -0.258 1.00 2.83 C ATOM 961 C ASN A 61 31.668 -1.920 1.021 1.00 3.18 C ATOM 962 O ASN A 61 32.540 -1.091 1.284 1.00 3.77 O ATOM 963 CB ASN A 61 32.791 -2.167 -1.204 1.00 3.70 C ATOM 964 CG ASN A 61 32.933 -2.976 -2.477 1.00 4.39 C ATOM 965 OD1 ASN A 61 32.284 -2.691 -3.484 1.00 4.96 O ATOM 966 ND2 ASN A 61 33.785 -3.995 -2.438 1.00 4.80 N ATOM 0 H ASN A 61 30.073 -3.745 -1.058 1.00 2.36 H new ATOM 0 HA ASN A 61 32.022 -3.767 0.008 1.00 2.83 H new ATOM 0 HB2 ASN A 61 32.522 -1.141 -1.456 1.00 3.70 H new ATOM 0 HB3 ASN A 61 33.753 -2.128 -0.692 1.00 3.70 H new ATOM 0 HD21 ASN A 61 33.922 -4.577 -3.264 1.00 4.80 H new ATOM 0 HD22 ASN A 61 34.302 -4.195 -1.582 1.00 4.80 H new ATOM 973 N GLU A 62 30.628 -2.151 1.816 1.00 3.41 N ATOM 974 CA GLU A 62 30.444 -1.425 3.068 1.00 4.31 C ATOM 975 C GLU A 62 29.398 -2.108 3.946 1.00 4.66 C ATOM 976 O GLU A 62 29.712 -2.609 5.026 1.00 5.26 O ATOM 977 CB GLU A 62 30.030 0.022 2.789 1.00 5.11 C ATOM 978 CG GLU A 62 29.909 0.874 4.041 1.00 6.02 C ATOM 979 CD GLU A 62 29.524 2.309 3.735 1.00 6.49 C ATOM 980 OE1 GLU A 62 30.434 3.128 3.491 1.00 6.66 O ATOM 981 OE2 GLU A 62 28.312 2.612 3.741 1.00 6.92 O ATOM 0 H GLU A 62 29.899 -2.836 1.615 1.00 3.41 H new ATOM 0 HA GLU A 62 31.395 -1.425 3.601 1.00 4.31 H new ATOM 0 HB2 GLU A 62 30.760 0.477 2.120 1.00 5.11 H new ATOM 0 HB3 GLU A 62 29.074 0.023 2.266 1.00 5.11 H new ATOM 0 HG2 GLU A 62 29.163 0.435 4.704 1.00 6.02 H new ATOM 0 HG3 GLU A 62 30.858 0.863 4.577 1.00 6.02 H new ATOM 988 N SER A 63 28.154 -2.125 3.474 1.00 4.71 N ATOM 989 CA SER A 63 27.063 -2.746 4.216 1.00 5.40 C ATOM 990 C SER A 63 25.891 -3.067 3.293 1.00 5.72 C ATOM 991 O SER A 63 25.638 -2.351 2.324 1.00 6.12 O ATOM 992 CB SER A 63 26.598 -1.827 5.347 1.00 6.13 C ATOM 993 OG SER A 63 25.523 -2.405 6.067 1.00 6.64 O ATOM 0 H SER A 63 27.878 -1.716 2.581 1.00 4.71 H new ATOM 0 HA SER A 63 27.433 -3.678 4.643 1.00 5.40 H new ATOM 0 HB2 SER A 63 27.429 -1.630 6.024 1.00 6.13 H new ATOM 0 HB3 SER A 63 26.289 -0.867 4.935 1.00 6.13 H new ATOM 0 HG SER A 63 25.246 -1.798 6.785 1.00 6.64 H new ATOM 999 N GLY A 64 25.181 -4.147 3.601 1.00 5.83 N ATOM 1000 CA GLY A 64 24.046 -4.545 2.790 1.00 6.37 C ATOM 1001 C GLY A 64 24.133 -5.991 2.342 1.00 6.20 C ATOM 1002 O GLY A 64 23.309 -6.817 2.733 1.00 6.52 O ATOM 0 H GLY A 64 25.372 -4.754 4.398 1.00 5.83 H new ATOM 0 HA2 GLY A 64 23.128 -4.399 3.359 1.00 6.37 H new ATOM 0 HA3 GLY A 64 23.985 -3.899 1.914 1.00 6.37 H new ATOM 1006 N ASP A 65 25.135 -6.294 1.521 1.00 5.88 N ATOM 1007 CA ASP A 65 25.333 -7.649 1.016 1.00 5.83 C ATOM 1008 C ASP A 65 24.078 -8.155 0.309 1.00 5.38 C ATOM 1009 O ASP A 65 23.391 -9.051 0.805 1.00 5.77 O ATOM 1010 CB ASP A 65 25.707 -8.595 2.158 1.00 6.69 C ATOM 1011 CG ASP A 65 26.927 -8.124 2.924 1.00 7.43 C ATOM 1012 OD1 ASP A 65 28.057 -8.386 2.460 1.00 7.57 O ATOM 1013 OD2 ASP A 65 26.753 -7.493 3.988 1.00 8.04 O ATOM 0 H ASP A 65 25.824 -5.618 1.191 1.00 5.88 H new ATOM 0 HA ASP A 65 26.150 -7.624 0.295 1.00 5.83 H new ATOM 0 HB2 ASP A 65 24.864 -8.684 2.843 1.00 6.69 H new ATOM 0 HB3 ASP A 65 25.897 -9.590 1.755 1.00 6.69 H new ATOM 1018 N GLY A 66 23.783 -7.577 -0.850 1.00 4.75 N ATOM 1019 CA GLY A 66 22.611 -7.980 -1.603 1.00 4.50 C ATOM 1020 C GLY A 66 22.790 -9.319 -2.288 1.00 4.15 C ATOM 1021 O GLY A 66 23.915 -9.763 -2.515 1.00 4.62 O ATOM 0 H GLY A 66 24.335 -6.836 -1.281 1.00 4.75 H new ATOM 0 HA2 GLY A 66 21.753 -8.031 -0.933 1.00 4.50 H new ATOM 0 HA3 GLY A 66 22.386 -7.220 -2.352 1.00 4.50 H new ATOM 1025 N VAL A 67 21.675 -9.963 -2.617 1.00 3.74 N ATOM 1026 CA VAL A 67 21.705 -11.260 -3.282 1.00 3.83 C ATOM 1027 C VAL A 67 21.031 -11.191 -4.650 1.00 3.19 C ATOM 1028 O VAL A 67 20.286 -12.094 -5.034 1.00 3.45 O ATOM 1029 CB VAL A 67 21.014 -12.343 -2.430 1.00 4.57 C ATOM 1030 CG1 VAL A 67 21.857 -12.683 -1.210 1.00 5.42 C ATOM 1031 CG2 VAL A 67 19.624 -11.889 -2.013 1.00 4.44 C ATOM 0 H VAL A 67 20.737 -9.606 -2.433 1.00 3.74 H new ATOM 0 HA VAL A 67 22.754 -11.528 -3.412 1.00 3.83 H new ATOM 0 HB VAL A 67 20.912 -13.243 -3.036 1.00 4.57 H new ATOM 0 HG11 VAL A 67 21.353 -13.449 -0.621 1.00 5.42 H new ATOM 0 HG12 VAL A 67 22.830 -13.055 -1.532 1.00 5.42 H new ATOM 0 HG13 VAL A 67 21.993 -11.789 -0.601 1.00 5.42 H new ATOM 0 HG21 VAL A 67 19.152 -12.667 -1.412 1.00 4.44 H new ATOM 0 HG22 VAL A 67 19.701 -10.974 -1.426 1.00 4.44 H new ATOM 0 HG23 VAL A 67 19.021 -11.701 -2.901 1.00 4.44 H new ATOM 1041 N ASP A 68 21.301 -10.110 -5.379 1.00 2.69 N ATOM 1042 CA ASP A 68 20.725 -9.912 -6.706 1.00 2.47 C ATOM 1043 C ASP A 68 19.201 -9.938 -6.647 1.00 1.74 C ATOM 1044 O ASP A 68 18.568 -10.895 -7.093 1.00 2.03 O ATOM 1045 CB ASP A 68 21.233 -10.983 -7.674 1.00 3.50 C ATOM 1046 CG ASP A 68 22.734 -10.916 -7.876 1.00 4.42 C ATOM 1047 OD1 ASP A 68 23.468 -11.530 -7.075 1.00 5.19 O ATOM 1048 OD2 ASP A 68 23.174 -10.249 -8.836 1.00 4.69 O ATOM 0 H ASP A 68 21.916 -9.357 -5.072 1.00 2.69 H new ATOM 0 HA ASP A 68 21.038 -8.933 -7.068 1.00 2.47 H new ATOM 0 HB2 ASP A 68 20.964 -11.969 -7.294 1.00 3.50 H new ATOM 0 HB3 ASP A 68 20.734 -10.865 -8.636 1.00 3.50 H new ATOM 1053 N GLY A 69 18.618 -8.879 -6.091 1.00 1.09 N ATOM 1054 CA GLY A 69 17.173 -8.799 -5.983 1.00 0.76 C ATOM 1055 C GLY A 69 16.721 -7.732 -5.005 1.00 0.68 C ATOM 1056 O GLY A 69 16.160 -8.042 -3.954 1.00 0.66 O ATOM 0 H GLY A 69 19.121 -8.076 -5.714 1.00 1.09 H new ATOM 0 HA2 GLY A 69 16.750 -8.589 -6.965 1.00 0.76 H new ATOM 0 HA3 GLY A 69 16.782 -9.766 -5.667 1.00 0.76 H new ATOM 1060 N LYS A 70 16.970 -6.472 -5.350 1.00 0.67 N ATOM 1061 CA LYS A 70 16.584 -5.354 -4.499 1.00 0.60 C ATOM 1062 C LYS A 70 15.070 -5.315 -4.315 1.00 0.51 C ATOM 1063 O LYS A 70 14.315 -5.581 -5.250 1.00 0.50 O ATOM 1064 CB LYS A 70 17.067 -4.035 -5.105 1.00 0.66 C ATOM 1065 CG LYS A 70 18.556 -4.005 -5.416 1.00 0.76 C ATOM 1066 CD LYS A 70 19.402 -4.021 -4.150 1.00 1.25 C ATOM 1067 CE LYS A 70 19.852 -5.429 -3.792 1.00 1.58 C ATOM 1068 NZ LYS A 70 20.632 -6.060 -4.894 1.00 2.43 N ATOM 0 H LYS A 70 17.438 -6.201 -6.215 1.00 0.67 H new ATOM 0 HA LYS A 70 17.051 -5.491 -3.524 1.00 0.60 H new ATOM 0 HB2 LYS A 70 16.511 -3.843 -6.023 1.00 0.66 H new ATOM 0 HB3 LYS A 70 16.834 -3.223 -4.416 1.00 0.66 H new ATOM 0 HG2 LYS A 70 18.815 -4.863 -6.036 1.00 0.76 H new ATOM 0 HG3 LYS A 70 18.788 -3.112 -5.996 1.00 0.76 H new ATOM 0 HD2 LYS A 70 20.276 -3.384 -4.288 1.00 1.25 H new ATOM 0 HD3 LYS A 70 18.828 -3.601 -3.324 1.00 1.25 H new ATOM 0 HE2 LYS A 70 20.461 -5.397 -2.888 1.00 1.58 H new ATOM 0 HE3 LYS A 70 18.980 -6.043 -3.567 1.00 1.58 H new ATOM 0 HZ1 LYS A 70 21.210 -6.835 -4.511 1.00 2.43 H new ATOM 0 HZ2 LYS A 70 19.979 -6.437 -5.610 1.00 2.43 H new ATOM 0 HZ3 LYS A 70 21.252 -5.349 -5.331 1.00 2.43 H new ATOM 1082 N MET A 71 14.633 -4.982 -3.105 1.00 0.45 N ATOM 1083 CA MET A 71 13.209 -4.910 -2.802 1.00 0.36 C ATOM 1084 C MET A 71 12.572 -3.705 -3.487 1.00 0.33 C ATOM 1085 O MET A 71 13.061 -2.581 -3.370 1.00 0.36 O ATOM 1086 CB MET A 71 12.986 -4.838 -1.290 1.00 0.35 C ATOM 1087 CG MET A 71 13.634 -3.630 -0.630 1.00 0.39 C ATOM 1088 SD MET A 71 13.418 -3.621 1.162 1.00 0.40 S ATOM 1089 CE MET A 71 14.133 -2.034 1.582 1.00 0.47 C ATOM 0 H MET A 71 15.244 -4.758 -2.319 1.00 0.45 H new ATOM 0 HA MET A 71 12.734 -5.814 -3.182 1.00 0.36 H new ATOM 0 HB2 MET A 71 11.915 -4.818 -1.091 1.00 0.35 H new ATOM 0 HB3 MET A 71 13.379 -5.745 -0.831 1.00 0.35 H new ATOM 0 HG2 MET A 71 14.698 -3.620 -0.864 1.00 0.39 H new ATOM 0 HG3 MET A 71 13.207 -2.719 -1.049 1.00 0.39 H new ATOM 0 HE1 MET A 71 13.902 -1.794 2.620 1.00 0.47 H new ATOM 0 HE2 MET A 71 15.214 -2.076 1.451 1.00 0.47 H new ATOM 0 HE3 MET A 71 13.718 -1.264 0.931 1.00 0.47 H new ATOM 1099 N LEU A 72 11.480 -3.948 -4.204 1.00 0.30 N ATOM 1100 CA LEU A 72 10.778 -2.883 -4.911 1.00 0.29 C ATOM 1101 C LEU A 72 9.643 -2.315 -4.064 1.00 0.28 C ATOM 1102 O LEU A 72 8.678 -3.014 -3.754 1.00 0.33 O ATOM 1103 CB LEU A 72 10.223 -3.405 -6.239 1.00 0.29 C ATOM 1104 CG LEU A 72 11.276 -3.880 -7.245 1.00 0.32 C ATOM 1105 CD1 LEU A 72 10.610 -4.468 -8.478 1.00 0.34 C ATOM 1106 CD2 LEU A 72 12.199 -2.735 -7.632 1.00 0.34 C ATOM 0 H LEU A 72 11.062 -4.872 -4.311 1.00 0.30 H new ATOM 0 HA LEU A 72 11.493 -2.084 -5.108 1.00 0.29 H new ATOM 0 HB2 LEU A 72 9.544 -4.232 -6.031 1.00 0.29 H new ATOM 0 HB3 LEU A 72 9.631 -2.616 -6.702 1.00 0.29 H new ATOM 0 HG LEU A 72 11.874 -4.660 -6.773 1.00 0.32 H new ATOM 0 HD11 LEU A 72 11.374 -4.800 -9.181 1.00 0.34 H new ATOM 0 HD12 LEU A 72 9.991 -5.317 -8.187 1.00 0.34 H new ATOM 0 HD13 LEU A 72 9.986 -3.710 -8.951 1.00 0.34 H new ATOM 0 HD21 LEU A 72 12.940 -3.091 -8.347 1.00 0.34 H new ATOM 0 HD22 LEU A 72 11.615 -1.933 -8.084 1.00 0.34 H new ATOM 0 HD23 LEU A 72 12.704 -2.359 -6.743 1.00 0.34 H new ATOM 1118 N MET A 73 9.766 -1.044 -3.694 1.00 0.26 N ATOM 1119 CA MET A 73 8.747 -0.381 -2.891 1.00 0.26 C ATOM 1120 C MET A 73 7.623 0.142 -3.778 1.00 0.21 C ATOM 1121 O MET A 73 7.751 0.178 -5.002 1.00 0.20 O ATOM 1122 CB MET A 73 9.352 0.773 -2.087 1.00 0.30 C ATOM 1123 CG MET A 73 10.471 0.345 -1.150 1.00 0.36 C ATOM 1124 SD MET A 73 12.044 0.113 -2.000 1.00 1.17 S ATOM 1125 CE MET A 73 12.382 1.785 -2.548 1.00 0.80 C ATOM 0 H MET A 73 10.561 -0.454 -3.938 1.00 0.26 H new ATOM 0 HA MET A 73 8.339 -1.115 -2.196 1.00 0.26 H new ATOM 0 HB2 MET A 73 9.736 1.523 -2.778 1.00 0.30 H new ATOM 0 HB3 MET A 73 8.564 1.250 -1.504 1.00 0.30 H new ATOM 0 HG2 MET A 73 10.592 1.096 -0.370 1.00 0.36 H new ATOM 0 HG3 MET A 73 10.189 -0.585 -0.656 1.00 0.36 H new ATOM 0 HE1 MET A 73 13.387 1.835 -2.966 1.00 0.80 H new ATOM 0 HE2 MET A 73 11.658 2.071 -3.310 1.00 0.80 H new ATOM 0 HE3 MET A 73 12.307 2.468 -1.701 1.00 0.80 H new ATOM 1135 N VAL A 74 6.523 0.547 -3.154 1.00 0.20 N ATOM 1136 CA VAL A 74 5.376 1.062 -3.889 1.00 0.16 C ATOM 1137 C VAL A 74 4.635 2.128 -3.092 1.00 0.17 C ATOM 1138 O VAL A 74 4.494 2.025 -1.872 1.00 0.24 O ATOM 1139 CB VAL A 74 4.387 -0.065 -4.256 1.00 0.18 C ATOM 1140 CG1 VAL A 74 3.910 -0.791 -3.012 1.00 0.26 C ATOM 1141 CG2 VAL A 74 3.204 0.487 -5.034 1.00 0.14 C ATOM 0 H VAL A 74 6.402 0.528 -2.141 1.00 0.20 H new ATOM 0 HA VAL A 74 5.769 1.506 -4.803 1.00 0.16 H new ATOM 0 HB VAL A 74 4.912 -0.779 -4.890 1.00 0.18 H new ATOM 0 HG11 VAL A 74 3.214 -1.581 -3.296 1.00 0.26 H new ATOM 0 HG12 VAL A 74 4.765 -1.229 -2.496 1.00 0.26 H new ATOM 0 HG13 VAL A 74 3.408 -0.086 -2.349 1.00 0.26 H new ATOM 0 HG21 VAL A 74 2.521 -0.325 -5.282 1.00 0.14 H new ATOM 0 HG22 VAL A 74 2.683 1.227 -4.427 1.00 0.14 H new ATOM 0 HG23 VAL A 74 3.559 0.955 -5.952 1.00 0.14 H new ATOM 1151 N THR A 75 4.172 3.156 -3.793 1.00 0.12 N ATOM 1152 CA THR A 75 3.422 4.234 -3.169 1.00 0.12 C ATOM 1153 C THR A 75 2.005 4.262 -3.719 1.00 0.11 C ATOM 1154 O THR A 75 1.800 4.188 -4.932 1.00 0.11 O ATOM 1155 CB THR A 75 4.087 5.604 -3.405 1.00 0.16 C ATOM 1156 OG1 THR A 75 4.158 5.879 -4.809 1.00 0.18 O ATOM 1157 CG2 THR A 75 5.484 5.635 -2.805 1.00 0.18 C ATOM 0 H THR A 75 4.305 3.264 -4.799 1.00 0.12 H new ATOM 0 HA THR A 75 3.405 4.045 -2.096 1.00 0.12 H new ATOM 0 HB THR A 75 3.481 6.368 -2.917 1.00 0.16 H new ATOM 0 HG1 THR A 75 4.580 6.752 -4.950 1.00 0.18 H new ATOM 0 HG21 THR A 75 5.935 6.611 -2.983 1.00 0.18 H new ATOM 0 HG22 THR A 75 5.423 5.454 -1.732 1.00 0.18 H new ATOM 0 HG23 THR A 75 6.097 4.862 -3.269 1.00 0.18 H new ATOM 1165 N LEU A 76 1.030 4.368 -2.826 1.00 0.12 N ATOM 1166 CA LEU A 76 -0.370 4.389 -3.228 1.00 0.14 C ATOM 1167 C LEU A 76 -0.980 5.765 -2.977 1.00 0.14 C ATOM 1168 O LEU A 76 -0.904 6.293 -1.868 1.00 0.18 O ATOM 1169 CB LEU A 76 -1.146 3.307 -2.466 1.00 0.18 C ATOM 1170 CG LEU A 76 -0.349 2.029 -2.164 1.00 0.16 C ATOM 1171 CD1 LEU A 76 -1.204 1.015 -1.420 1.00 0.21 C ATOM 1172 CD2 LEU A 76 0.192 1.410 -3.443 1.00 0.16 C ATOM 0 H LEU A 76 1.182 4.441 -1.820 1.00 0.12 H new ATOM 0 HA LEU A 76 -0.433 4.182 -4.296 1.00 0.14 H new ATOM 0 HB2 LEU A 76 -1.498 3.729 -1.525 1.00 0.18 H new ATOM 0 HB3 LEU A 76 -2.029 3.038 -3.045 1.00 0.18 H new ATOM 0 HG LEU A 76 0.491 2.309 -1.529 1.00 0.16 H new ATOM 0 HD11 LEU A 76 -0.615 0.120 -1.219 1.00 0.21 H new ATOM 0 HD12 LEU A 76 -1.542 1.446 -0.478 1.00 0.21 H new ATOM 0 HD13 LEU A 76 -2.068 0.751 -2.029 1.00 0.21 H new ATOM 0 HD21 LEU A 76 0.752 0.507 -3.201 1.00 0.16 H new ATOM 0 HD22 LEU A 76 -0.637 1.157 -4.104 1.00 0.16 H new ATOM 0 HD23 LEU A 76 0.849 2.122 -3.942 1.00 0.16 H new ATOM 1184 N SER A 77 -1.577 6.343 -4.015 1.00 0.20 N ATOM 1185 CA SER A 77 -2.184 7.667 -3.902 1.00 0.23 C ATOM 1186 C SER A 77 -3.554 7.719 -4.580 1.00 0.23 C ATOM 1187 O SER A 77 -3.643 7.915 -5.792 1.00 0.19 O ATOM 1188 CB SER A 77 -1.267 8.719 -4.527 1.00 0.26 C ATOM 1189 OG SER A 77 -1.796 10.021 -4.356 1.00 0.29 O ATOM 0 H SER A 77 -1.654 5.919 -4.940 1.00 0.20 H new ATOM 0 HA SER A 77 -2.320 7.877 -2.841 1.00 0.23 H new ATOM 0 HB2 SER A 77 -0.279 8.662 -4.071 1.00 0.26 H new ATOM 0 HB3 SER A 77 -1.140 8.511 -5.589 1.00 0.26 H new ATOM 0 HG SER A 77 -2.528 10.163 -4.992 1.00 0.29 H new ATOM 1195 N PRO A 78 -4.646 7.545 -3.808 1.00 0.30 N ATOM 1196 CA PRO A 78 -6.005 7.595 -4.350 1.00 0.33 C ATOM 1197 C PRO A 78 -6.466 9.029 -4.577 1.00 0.34 C ATOM 1198 O PRO A 78 -7.503 9.272 -5.194 1.00 0.41 O ATOM 1199 CB PRO A 78 -6.838 6.933 -3.254 1.00 0.39 C ATOM 1200 CG PRO A 78 -6.107 7.244 -1.994 1.00 0.41 C ATOM 1201 CD PRO A 78 -4.644 7.281 -2.355 1.00 0.37 C ATOM 0 HA PRO A 78 -6.088 7.105 -5.320 1.00 0.33 H new ATOM 0 HB2 PRO A 78 -7.853 7.329 -3.233 1.00 0.39 H new ATOM 0 HB3 PRO A 78 -6.919 5.857 -3.411 1.00 0.39 H new ATOM 0 HG2 PRO A 78 -6.431 8.200 -1.582 1.00 0.41 H new ATOM 0 HG3 PRO A 78 -6.301 6.487 -1.234 1.00 0.41 H new ATOM 0 HD2 PRO A 78 -4.117 8.062 -1.807 1.00 0.37 H new ATOM 0 HD3 PRO A 78 -4.150 6.338 -2.120 1.00 0.37 H new ATOM 1209 N THR A 79 -5.678 9.972 -4.071 1.00 0.34 N ATOM 1210 CA THR A 79 -5.988 11.389 -4.204 1.00 0.37 C ATOM 1211 C THR A 79 -4.853 12.128 -4.907 1.00 0.36 C ATOM 1212 O THR A 79 -4.095 11.532 -5.673 1.00 0.32 O ATOM 1213 CB THR A 79 -6.231 12.035 -2.829 1.00 0.44 C ATOM 1214 OG1 THR A 79 -4.991 12.152 -2.124 1.00 0.52 O ATOM 1215 CG2 THR A 79 -7.209 11.210 -2.007 1.00 0.51 C ATOM 0 H THR A 79 -4.815 9.778 -3.562 1.00 0.34 H new ATOM 0 HA THR A 79 -6.897 11.467 -4.801 1.00 0.37 H new ATOM 0 HB THR A 79 -6.660 13.025 -2.986 1.00 0.44 H new ATOM 0 HG1 THR A 79 -4.589 11.264 -2.019 1.00 0.52 H new ATOM 0 HG21 THR A 79 -7.364 11.687 -1.039 1.00 0.51 H new ATOM 0 HG22 THR A 79 -8.160 11.141 -2.535 1.00 0.51 H new ATOM 0 HG23 THR A 79 -6.804 10.209 -1.857 1.00 0.51 H new ATOM 1223 N LYS A 80 -4.739 13.428 -4.643 1.00 0.41 N ATOM 1224 CA LYS A 80 -3.699 14.242 -5.259 1.00 0.43 C ATOM 1225 C LYS A 80 -2.422 14.270 -4.415 1.00 0.43 C ATOM 1226 O LYS A 80 -1.472 13.537 -4.691 1.00 0.47 O ATOM 1227 CB LYS A 80 -4.209 15.669 -5.488 1.00 0.46 C ATOM 1228 CG LYS A 80 -5.617 15.737 -6.067 1.00 0.44 C ATOM 1229 CD LYS A 80 -5.759 14.888 -7.322 1.00 0.43 C ATOM 1230 CE LYS A 80 -4.893 15.413 -8.457 1.00 1.19 C ATOM 1231 NZ LYS A 80 -5.047 14.599 -9.695 1.00 2.08 N ATOM 0 H LYS A 80 -5.354 13.937 -4.008 1.00 0.41 H new ATOM 0 HA LYS A 80 -3.452 13.787 -6.218 1.00 0.43 H new ATOM 0 HB2 LYS A 80 -4.190 16.207 -4.540 1.00 0.46 H new ATOM 0 HB3 LYS A 80 -3.525 16.185 -6.161 1.00 0.46 H new ATOM 0 HG2 LYS A 80 -6.334 15.400 -5.318 1.00 0.44 H new ATOM 0 HG3 LYS A 80 -5.863 16.773 -6.300 1.00 0.44 H new ATOM 0 HD2 LYS A 80 -5.481 13.858 -7.098 1.00 0.43 H new ATOM 0 HD3 LYS A 80 -6.803 14.875 -7.636 1.00 0.43 H new ATOM 0 HE2 LYS A 80 -5.160 16.449 -8.668 1.00 1.19 H new ATOM 0 HE3 LYS A 80 -3.848 15.409 -8.148 1.00 1.19 H new ATOM 0 HZ1 LYS A 80 -4.441 14.989 -10.445 1.00 2.08 H new ATOM 0 HZ2 LYS A 80 -4.769 13.616 -9.501 1.00 2.08 H new ATOM 0 HZ3 LYS A 80 -6.039 14.623 -10.005 1.00 2.08 H new ATOM 1245 N ASP A 81 -2.406 15.120 -3.388 1.00 0.41 N ATOM 1246 CA ASP A 81 -1.234 15.262 -2.527 1.00 0.43 C ATOM 1247 C ASP A 81 -1.272 14.325 -1.319 1.00 0.43 C ATOM 1248 O ASP A 81 -0.246 14.098 -0.681 1.00 0.61 O ATOM 1249 CB ASP A 81 -1.109 16.708 -2.048 1.00 0.42 C ATOM 1250 CG ASP A 81 -0.956 17.687 -3.195 1.00 0.44 C ATOM 1251 OD1 ASP A 81 -1.989 18.165 -3.709 1.00 0.44 O ATOM 1252 OD2 ASP A 81 0.197 17.977 -3.579 1.00 0.48 O ATOM 0 H ASP A 81 -3.191 15.719 -3.133 1.00 0.41 H new ATOM 0 HA ASP A 81 -0.366 14.987 -3.126 1.00 0.43 H new ATOM 0 HB2 ASP A 81 -1.991 16.972 -1.464 1.00 0.42 H new ATOM 0 HB3 ASP A 81 -0.249 16.794 -1.383 1.00 0.42 H new ATOM 1257 N PHE A 82 -2.444 13.789 -0.999 1.00 0.31 N ATOM 1258 CA PHE A 82 -2.573 12.895 0.151 1.00 0.30 C ATOM 1259 C PHE A 82 -2.117 11.477 -0.189 1.00 0.27 C ATOM 1260 O PHE A 82 -2.654 10.840 -1.096 1.00 0.32 O ATOM 1261 CB PHE A 82 -4.017 12.873 0.658 1.00 0.31 C ATOM 1262 CG PHE A 82 -4.568 14.237 0.961 1.00 0.34 C ATOM 1263 CD1 PHE A 82 -5.200 14.976 -0.027 1.00 0.43 C ATOM 1264 CD2 PHE A 82 -4.456 14.781 2.231 1.00 0.34 C ATOM 1265 CE1 PHE A 82 -5.711 16.230 0.246 1.00 0.47 C ATOM 1266 CE2 PHE A 82 -4.965 16.035 2.510 1.00 0.39 C ATOM 1267 CZ PHE A 82 -5.592 16.761 1.516 1.00 0.44 C ATOM 0 H PHE A 82 -3.311 13.954 -1.511 1.00 0.31 H new ATOM 0 HA PHE A 82 -1.926 13.280 0.939 1.00 0.30 H new ATOM 0 HB2 PHE A 82 -4.649 12.393 -0.089 1.00 0.31 H new ATOM 0 HB3 PHE A 82 -4.068 12.261 1.559 1.00 0.31 H new ATOM 0 HD1 PHE A 82 -5.294 14.566 -1.022 1.00 0.43 H new ATOM 0 HD2 PHE A 82 -3.965 14.218 3.011 1.00 0.34 H new ATOM 0 HE1 PHE A 82 -6.203 16.795 -0.532 1.00 0.47 H new ATOM 0 HE2 PHE A 82 -4.873 16.447 3.504 1.00 0.39 H new ATOM 0 HZ PHE A 82 -5.989 17.742 1.731 1.00 0.44 H new ATOM 1277 N TRP A 83 -1.123 10.992 0.552 1.00 0.22 N ATOM 1278 CA TRP A 83 -0.587 9.649 0.346 1.00 0.20 C ATOM 1279 C TRP A 83 -0.951 8.732 1.510 1.00 0.19 C ATOM 1280 O TRP A 83 -1.404 9.193 2.558 1.00 0.22 O ATOM 1281 CB TRP A 83 0.937 9.697 0.198 1.00 0.21 C ATOM 1282 CG TRP A 83 1.397 10.369 -1.057 1.00 0.22 C ATOM 1283 CD1 TRP A 83 1.350 9.860 -2.322 1.00 0.25 C ATOM 1284 CD2 TRP A 83 1.985 11.669 -1.169 1.00 0.27 C ATOM 1285 NE1 TRP A 83 1.864 10.767 -3.215 1.00 0.31 N ATOM 1286 CE2 TRP A 83 2.263 11.885 -2.531 1.00 0.32 C ATOM 1287 CE3 TRP A 83 2.302 12.671 -0.248 1.00 0.31 C ATOM 1288 CZ2 TRP A 83 2.840 13.065 -2.995 1.00 0.39 C ATOM 1289 CZ3 TRP A 83 2.876 13.841 -0.709 1.00 0.38 C ATOM 1290 CH2 TRP A 83 3.139 14.029 -2.072 1.00 0.41 C ATOM 0 H TRP A 83 -0.671 11.512 1.304 1.00 0.22 H new ATOM 0 HA TRP A 83 -1.028 9.253 -0.569 1.00 0.20 H new ATOM 0 HB2 TRP A 83 1.360 10.219 1.056 1.00 0.21 H new ATOM 0 HB3 TRP A 83 1.328 8.680 0.219 1.00 0.21 H new ATOM 0 HD1 TRP A 83 0.965 8.885 -2.583 1.00 0.25 H new ATOM 0 HE1 TRP A 83 1.937 10.631 -4.223 1.00 0.31 H new ATOM 0 HE3 TRP A 83 2.102 12.534 0.804 1.00 0.31 H new ATOM 0 HZ2 TRP A 83 3.044 13.213 -4.045 1.00 0.39 H new ATOM 0 HZ3 TRP A 83 3.126 14.623 -0.007 1.00 0.38 H new ATOM 0 HH2 TRP A 83 3.587 14.955 -2.401 1.00 0.41 H new ATOM 1301 N LEU A 84 -0.746 7.432 1.313 1.00 0.16 N ATOM 1302 CA LEU A 84 -1.038 6.442 2.346 1.00 0.17 C ATOM 1303 C LEU A 84 0.090 6.383 3.369 1.00 0.17 C ATOM 1304 O LEU A 84 1.212 5.993 3.045 1.00 0.24 O ATOM 1305 CB LEU A 84 -1.242 5.057 1.723 1.00 0.19 C ATOM 1306 CG LEU A 84 -2.676 4.732 1.299 1.00 0.14 C ATOM 1307 CD1 LEU A 84 -3.137 5.675 0.201 1.00 0.22 C ATOM 1308 CD2 LEU A 84 -2.780 3.286 0.839 1.00 0.16 C ATOM 0 H LEU A 84 -0.378 7.039 0.446 1.00 0.16 H new ATOM 0 HA LEU A 84 -1.956 6.743 2.850 1.00 0.17 H new ATOM 0 HB2 LEU A 84 -0.595 4.971 0.850 1.00 0.19 H new ATOM 0 HB3 LEU A 84 -0.913 4.303 2.439 1.00 0.19 H new ATOM 0 HG LEU A 84 -3.328 4.868 2.162 1.00 0.14 H new ATOM 0 HD11 LEU A 84 -4.159 5.427 -0.086 1.00 0.22 H new ATOM 0 HD12 LEU A 84 -3.101 6.702 0.565 1.00 0.22 H new ATOM 0 HD13 LEU A 84 -2.482 5.574 -0.664 1.00 0.22 H new ATOM 0 HD21 LEU A 84 -3.806 3.072 0.541 1.00 0.16 H new ATOM 0 HD22 LEU A 84 -2.115 3.125 -0.009 1.00 0.16 H new ATOM 0 HD23 LEU A 84 -2.493 2.623 1.655 1.00 0.16 H new ATOM 1320 N HIS A 85 -0.213 6.774 4.602 1.00 0.23 N ATOM 1321 CA HIS A 85 0.778 6.763 5.671 1.00 0.24 C ATOM 1322 C HIS A 85 0.374 5.799 6.780 1.00 0.27 C ATOM 1323 O HIS A 85 -0.755 5.836 7.271 1.00 0.36 O ATOM 1324 CB HIS A 85 0.963 8.170 6.241 1.00 0.24 C ATOM 1325 CG HIS A 85 1.580 9.129 5.272 1.00 0.23 C ATOM 1326 ND1 HIS A 85 0.840 9.910 4.411 1.00 0.29 N ATOM 1327 CD2 HIS A 85 2.878 9.431 5.028 1.00 0.33 C ATOM 1328 CE1 HIS A 85 1.654 10.649 3.678 1.00 0.29 C ATOM 1329 NE2 HIS A 85 2.896 10.378 4.034 1.00 0.30 N ATOM 0 H HIS A 85 -1.136 7.102 4.886 1.00 0.23 H new ATOM 0 HA HIS A 85 1.724 6.424 5.249 1.00 0.24 H new ATOM 0 HB2 HIS A 85 -0.006 8.557 6.556 1.00 0.24 H new ATOM 0 HB3 HIS A 85 1.588 8.113 7.132 1.00 0.24 H new ATOM 0 HD1 HIS A 85 -0.178 9.917 4.349 1.00 0.29 H new ATOM 0 HD2 HIS A 85 3.738 9.006 5.523 1.00 0.33 H new ATOM 0 HE1 HIS A 85 1.354 11.355 2.917 1.00 0.29 H new ATOM 1338 N ALA A 86 1.308 4.936 7.169 1.00 0.27 N ATOM 1339 CA ALA A 86 1.058 3.958 8.220 1.00 0.31 C ATOM 1340 C ALA A 86 1.266 4.568 9.601 1.00 0.29 C ATOM 1341 O ALA A 86 2.401 4.758 10.042 1.00 0.47 O ATOM 1342 CB ALA A 86 1.959 2.746 8.034 1.00 0.47 C ATOM 0 H ALA A 86 2.246 4.895 6.771 1.00 0.27 H new ATOM 0 HA ALA A 86 0.018 3.640 8.148 1.00 0.31 H new ATOM 0 HB1 ALA A 86 1.763 2.022 8.825 1.00 0.47 H new ATOM 0 HB2 ALA A 86 1.758 2.288 7.065 1.00 0.47 H new ATOM 0 HB3 ALA A 86 3.002 3.058 8.078 1.00 0.47 H new ATOM 1348 N ASN A 87 0.166 4.874 10.279 1.00 0.33 N ATOM 1349 CA ASN A 87 0.226 5.464 11.610 1.00 0.43 C ATOM 1350 C ASN A 87 0.339 4.383 12.681 1.00 0.46 C ATOM 1351 O ASN A 87 -0.609 3.638 12.926 1.00 0.53 O ATOM 1352 CB ASN A 87 -1.014 6.323 11.864 1.00 0.56 C ATOM 1353 CG ASN A 87 -1.148 7.453 10.861 1.00 1.09 C ATOM 1354 OD1 ASN A 87 -1.828 7.181 9.754 1.00 1.83 O flip ATOM 1355 ND2 ASN A 87 -0.645 8.554 11.078 1.00 1.83 N flip ATOM 0 H ASN A 87 -0.780 4.723 9.928 1.00 0.33 H new ATOM 0 HA ASN A 87 1.114 6.094 11.662 1.00 0.43 H new ATOM 0 HB2 ASN A 87 -1.904 5.695 11.821 1.00 0.56 H new ATOM 0 HB3 ASN A 87 -0.966 6.738 12.871 1.00 0.56 H new ATOM 0 HD21 ASN A 87 -0.131 8.718 11.943 1.00 1.83 H new ATOM 0 HD22 ASN A 87 -0.742 9.303 10.393 1.00 1.83 H new ATOM 1362 N ASN A 88 1.505 4.305 13.314 1.00 0.49 N ATOM 1363 CA ASN A 88 1.742 3.317 14.361 1.00 0.56 C ATOM 1364 C ASN A 88 0.948 3.660 15.616 1.00 0.60 C ATOM 1365 O ASN A 88 0.864 2.859 16.549 1.00 0.73 O ATOM 1366 CB ASN A 88 3.233 3.238 14.692 1.00 0.65 C ATOM 1367 CG ASN A 88 3.779 4.545 15.235 1.00 1.56 C ATOM 1368 OD1 ASN A 88 3.299 5.624 14.889 1.00 2.56 O ATOM 1369 ND2 ASN A 88 4.789 4.453 16.093 1.00 1.79 N ATOM 0 H ASN A 88 2.300 4.914 13.121 1.00 0.49 H new ATOM 0 HA ASN A 88 1.409 2.346 13.993 1.00 0.56 H new ATOM 0 HB2 ASN A 88 3.398 2.447 15.424 1.00 0.65 H new ATOM 0 HB3 ASN A 88 3.787 2.962 13.795 1.00 0.65 H new ATOM 0 HD21 ASN A 88 5.197 5.298 16.493 1.00 1.79 H new ATOM 0 HD22 ASN A 88 5.156 3.537 16.352 1.00 1.79 H new ATOM 1376 N LYS A 89 0.367 4.856 15.629 1.00 0.56 N ATOM 1377 CA LYS A 89 -0.425 5.315 16.765 1.00 0.63 C ATOM 1378 C LYS A 89 -1.581 4.359 17.041 1.00 0.61 C ATOM 1379 O LYS A 89 -1.719 3.840 18.149 1.00 0.77 O ATOM 1380 CB LYS A 89 -0.961 6.725 16.499 1.00 0.72 C ATOM 1381 CG LYS A 89 -1.716 7.328 17.674 1.00 1.41 C ATOM 1382 CD LYS A 89 -0.820 7.491 18.892 1.00 1.89 C ATOM 1383 CE LYS A 89 -1.552 8.174 20.035 1.00 2.63 C ATOM 1384 NZ LYS A 89 -1.975 9.555 19.676 1.00 3.20 N ATOM 0 H LYS A 89 0.430 5.527 14.863 1.00 0.56 H new ATOM 0 HA LYS A 89 0.219 5.339 17.644 1.00 0.63 H new ATOM 0 HB2 LYS A 89 -0.127 7.378 16.242 1.00 0.72 H new ATOM 0 HB3 LYS A 89 -1.621 6.695 15.632 1.00 0.72 H new ATOM 0 HG2 LYS A 89 -2.121 8.298 17.387 1.00 1.41 H new ATOM 0 HG3 LYS A 89 -2.563 6.691 17.928 1.00 1.41 H new ATOM 0 HD2 LYS A 89 -0.466 6.513 19.218 1.00 1.89 H new ATOM 0 HD3 LYS A 89 0.060 8.075 18.622 1.00 1.89 H new ATOM 0 HE2 LYS A 89 -2.428 7.586 20.308 1.00 2.63 H new ATOM 0 HE3 LYS A 89 -0.905 8.209 20.911 1.00 2.63 H new ATOM 0 HZ1 LYS A 89 -2.220 10.079 20.540 1.00 3.20 H new ATOM 0 HZ2 LYS A 89 -1.196 10.040 19.186 1.00 3.20 H new ATOM 0 HZ3 LYS A 89 -2.804 9.512 19.050 1.00 3.20 H new ATOM 1398 N GLU A 90 -2.411 4.133 16.028 1.00 0.52 N ATOM 1399 CA GLU A 90 -3.554 3.237 16.162 1.00 0.55 C ATOM 1400 C GLU A 90 -3.430 2.048 15.216 1.00 0.41 C ATOM 1401 O GLU A 90 -4.394 1.316 14.990 1.00 0.42 O ATOM 1402 CB GLU A 90 -4.858 3.991 15.889 1.00 0.72 C ATOM 1403 CG GLU A 90 -5.093 5.157 16.834 1.00 0.91 C ATOM 1404 CD GLU A 90 -6.413 5.858 16.578 1.00 1.03 C ATOM 1405 OE1 GLU A 90 -6.442 6.785 15.740 1.00 1.61 O ATOM 1406 OE2 GLU A 90 -7.419 5.480 17.215 1.00 1.04 O ATOM 0 H GLU A 90 -2.314 4.558 15.106 1.00 0.52 H new ATOM 0 HA GLU A 90 -3.569 2.861 17.185 1.00 0.55 H new ATOM 0 HB2 GLU A 90 -4.847 4.361 14.864 1.00 0.72 H new ATOM 0 HB3 GLU A 90 -5.694 3.296 15.968 1.00 0.72 H new ATOM 0 HG2 GLU A 90 -5.071 4.797 17.862 1.00 0.91 H new ATOM 0 HG3 GLU A 90 -4.279 5.874 16.730 1.00 0.91 H new ATOM 1413 N HIS A 91 -2.230 1.864 14.664 1.00 0.33 N ATOM 1414 CA HIS A 91 -1.964 0.766 13.739 1.00 0.29 C ATOM 1415 C HIS A 91 -2.947 0.781 12.571 1.00 0.29 C ATOM 1416 O HIS A 91 -3.583 -0.230 12.268 1.00 0.34 O ATOM 1417 CB HIS A 91 -2.031 -0.575 14.472 1.00 0.38 C ATOM 1418 CG HIS A 91 -0.886 -0.801 15.412 1.00 0.49 C ATOM 1419 ND1 HIS A 91 -0.937 -0.483 16.753 1.00 1.11 N ATOM 1420 CD2 HIS A 91 0.347 -1.318 15.199 1.00 1.24 C ATOM 1421 CE1 HIS A 91 0.213 -0.795 17.323 1.00 0.91 C ATOM 1422 NE2 HIS A 91 1.009 -1.304 16.402 1.00 0.95 N ATOM 0 H HIS A 91 -1.425 2.465 14.843 1.00 0.33 H new ATOM 0 HA HIS A 91 -0.959 0.899 13.338 1.00 0.29 H new ATOM 0 HB2 HIS A 91 -2.965 -0.628 15.031 1.00 0.38 H new ATOM 0 HB3 HIS A 91 -2.052 -1.380 13.738 1.00 0.38 H new ATOM 0 HD2 HIS A 91 0.738 -1.675 14.258 1.00 1.24 H new ATOM 0 HE1 HIS A 91 0.460 -0.657 18.365 1.00 0.91 H new ATOM 0 HE2 HIS A 91 1.962 -1.634 16.558 1.00 0.95 H new ATOM 1431 N SER A 92 -3.064 1.932 11.916 1.00 0.34 N ATOM 1432 CA SER A 92 -3.969 2.080 10.781 1.00 0.44 C ATOM 1433 C SER A 92 -3.367 2.995 9.718 1.00 0.35 C ATOM 1434 O SER A 92 -2.516 3.833 10.016 1.00 0.30 O ATOM 1435 CB SER A 92 -5.315 2.638 11.244 1.00 0.61 C ATOM 1436 OG SER A 92 -5.156 3.904 11.861 1.00 1.33 O ATOM 0 H SER A 92 -2.543 2.777 12.152 1.00 0.34 H new ATOM 0 HA SER A 92 -4.122 1.094 10.342 1.00 0.44 H new ATOM 0 HB2 SER A 92 -5.988 2.727 10.391 1.00 0.61 H new ATOM 0 HB3 SER A 92 -5.779 1.944 11.945 1.00 0.61 H new ATOM 0 HG SER A 92 -6.031 4.241 12.147 1.00 1.33 H new ATOM 1442 N VAL A 93 -3.819 2.827 8.478 1.00 0.38 N ATOM 1443 CA VAL A 93 -3.330 3.638 7.369 1.00 0.33 C ATOM 1444 C VAL A 93 -4.268 4.809 7.097 1.00 0.29 C ATOM 1445 O VAL A 93 -5.466 4.620 6.887 1.00 0.31 O ATOM 1446 CB VAL A 93 -3.186 2.801 6.083 1.00 0.40 C ATOM 1447 CG1 VAL A 93 -2.520 3.616 4.985 1.00 0.84 C ATOM 1448 CG2 VAL A 93 -2.406 1.525 6.358 1.00 1.20 C ATOM 0 H VAL A 93 -4.523 2.137 8.217 1.00 0.38 H new ATOM 0 HA VAL A 93 -2.350 4.017 7.658 1.00 0.33 H new ATOM 0 HB VAL A 93 -4.183 2.522 5.742 1.00 0.40 H new ATOM 0 HG11 VAL A 93 -2.427 3.007 4.085 1.00 0.84 H new ATOM 0 HG12 VAL A 93 -3.125 4.496 4.767 1.00 0.84 H new ATOM 0 HG13 VAL A 93 -1.529 3.929 5.314 1.00 0.84 H new ATOM 0 HG21 VAL A 93 -2.315 0.948 5.437 1.00 1.20 H new ATOM 0 HG22 VAL A 93 -1.412 1.778 6.727 1.00 1.20 H new ATOM 0 HG23 VAL A 93 -2.931 0.932 7.107 1.00 1.20 H new ATOM 1458 N GLU A 94 -3.716 6.020 7.101 1.00 0.30 N ATOM 1459 CA GLU A 94 -4.508 7.221 6.858 1.00 0.31 C ATOM 1460 C GLU A 94 -3.873 8.090 5.779 1.00 0.27 C ATOM 1461 O GLU A 94 -2.654 8.087 5.601 1.00 0.29 O ATOM 1462 CB GLU A 94 -4.658 8.027 8.149 1.00 0.39 C ATOM 1463 CG GLU A 94 -5.436 7.301 9.234 1.00 0.67 C ATOM 1464 CD GLU A 94 -6.886 7.070 8.856 1.00 1.47 C ATOM 1465 OE1 GLU A 94 -7.678 8.033 8.924 1.00 1.54 O ATOM 1466 OE2 GLU A 94 -7.228 5.926 8.491 1.00 2.41 O ATOM 0 H GLU A 94 -2.725 6.195 7.270 1.00 0.30 H new ATOM 0 HA GLU A 94 -5.493 6.908 6.512 1.00 0.31 H new ATOM 0 HB2 GLU A 94 -3.667 8.276 8.529 1.00 0.39 H new ATOM 0 HB3 GLU A 94 -5.158 8.969 7.923 1.00 0.39 H new ATOM 0 HG2 GLU A 94 -4.960 6.342 9.437 1.00 0.67 H new ATOM 0 HG3 GLU A 94 -5.393 7.880 10.156 1.00 0.67 H new ATOM 1473 N LEU A 95 -4.708 8.835 5.061 1.00 0.31 N ATOM 1474 CA LEU A 95 -4.232 9.715 4.000 1.00 0.32 C ATOM 1475 C LEU A 95 -3.736 11.036 4.580 1.00 0.29 C ATOM 1476 O LEU A 95 -4.466 11.720 5.298 1.00 0.37 O ATOM 1477 CB LEU A 95 -5.345 9.981 2.980 1.00 0.44 C ATOM 1478 CG LEU A 95 -5.788 8.767 2.158 1.00 0.50 C ATOM 1479 CD1 LEU A 95 -6.657 7.835 2.989 1.00 1.11 C ATOM 1480 CD2 LEU A 95 -6.532 9.215 0.910 1.00 0.62 C ATOM 0 H LEU A 95 -5.719 8.846 5.195 1.00 0.31 H new ATOM 0 HA LEU A 95 -3.403 9.218 3.496 1.00 0.32 H new ATOM 0 HB2 LEU A 95 -6.212 10.376 3.509 1.00 0.44 H new ATOM 0 HB3 LEU A 95 -5.008 10.759 2.295 1.00 0.44 H new ATOM 0 HG LEU A 95 -4.896 8.218 1.855 1.00 0.50 H new ATOM 0 HD11 LEU A 95 -6.958 6.981 2.382 1.00 1.11 H new ATOM 0 HD12 LEU A 95 -6.092 7.485 3.853 1.00 1.11 H new ATOM 0 HD13 LEU A 95 -7.544 8.370 3.328 1.00 1.11 H new ATOM 0 HD21 LEU A 95 -6.840 8.341 0.337 1.00 0.62 H new ATOM 0 HD22 LEU A 95 -7.413 9.789 1.198 1.00 0.62 H new ATOM 0 HD23 LEU A 95 -5.877 9.837 0.300 1.00 0.62 H new ATOM 1492 N HIS A 96 -2.492 11.389 4.267 1.00 0.25 N ATOM 1493 CA HIS A 96 -1.904 12.630 4.764 1.00 0.30 C ATOM 1494 C HIS A 96 -1.106 13.338 3.674 1.00 0.25 C ATOM 1495 O HIS A 96 -0.507 12.697 2.813 1.00 0.22 O ATOM 1496 CB HIS A 96 -1.003 12.346 5.966 1.00 0.39 C ATOM 1497 CG HIS A 96 -1.748 11.881 7.179 1.00 0.73 C ATOM 1498 ND1 HIS A 96 -2.166 12.735 8.178 1.00 1.24 N ATOM 1499 CD2 HIS A 96 -2.150 10.643 7.553 1.00 1.11 C ATOM 1500 CE1 HIS A 96 -2.791 12.043 9.115 1.00 1.64 C ATOM 1501 NE2 HIS A 96 -2.795 10.772 8.759 1.00 1.57 N ATOM 0 H HIS A 96 -1.874 10.836 3.674 1.00 0.25 H new ATOM 0 HA HIS A 96 -2.719 13.285 5.072 1.00 0.30 H new ATOM 0 HB2 HIS A 96 -0.269 11.589 5.688 1.00 0.39 H new ATOM 0 HB3 HIS A 96 -0.449 13.251 6.215 1.00 0.39 H new ATOM 0 HD1 HIS A 96 -2.016 13.744 8.192 1.00 1.24 H new ATOM 0 HD2 HIS A 96 -1.993 9.726 7.005 1.00 1.11 H new ATOM 0 HE1 HIS A 96 -3.224 12.448 10.017 1.00 1.64 H new ATOM 1510 N LYS A 97 -1.102 14.668 3.722 1.00 0.32 N ATOM 1511 CA LYS A 97 -0.376 15.470 2.742 1.00 0.32 C ATOM 1512 C LYS A 97 0.940 15.978 3.325 1.00 0.34 C ATOM 1513 O LYS A 97 0.950 16.871 4.173 1.00 0.50 O ATOM 1514 CB LYS A 97 -1.234 16.652 2.282 1.00 0.39 C ATOM 1515 CG LYS A 97 -0.513 17.596 1.333 1.00 0.42 C ATOM 1516 CD LYS A 97 -1.408 18.748 0.905 1.00 0.53 C ATOM 1517 CE LYS A 97 -0.661 19.733 0.019 1.00 1.29 C ATOM 1518 NZ LYS A 97 0.481 20.365 0.734 1.00 2.10 N ATOM 0 H LYS A 97 -1.594 15.213 4.430 1.00 0.32 H new ATOM 0 HA LYS A 97 -0.153 14.837 1.883 1.00 0.32 H new ATOM 0 HB2 LYS A 97 -2.129 16.271 1.791 1.00 0.39 H new ATOM 0 HB3 LYS A 97 -1.564 17.212 3.157 1.00 0.39 H new ATOM 0 HG2 LYS A 97 0.380 17.989 1.818 1.00 0.42 H new ATOM 0 HG3 LYS A 97 -0.181 17.045 0.453 1.00 0.42 H new ATOM 0 HD2 LYS A 97 -2.273 18.358 0.369 1.00 0.53 H new ATOM 0 HD3 LYS A 97 -1.786 19.264 1.788 1.00 0.53 H new ATOM 0 HE2 LYS A 97 -0.294 19.217 -0.868 1.00 1.29 H new ATOM 0 HE3 LYS A 97 -1.348 20.507 -0.324 1.00 1.29 H new ATOM 0 HZ1 LYS A 97 0.794 21.208 0.212 1.00 2.10 H new ATOM 0 HZ2 LYS A 97 0.181 20.641 1.691 1.00 2.10 H new ATOM 0 HZ3 LYS A 97 1.267 19.687 0.800 1.00 2.10 H new ATOM 1532 N CYS A 98 2.047 15.403 2.864 1.00 0.37 N ATOM 1533 CA CYS A 98 3.367 15.796 3.338 1.00 0.43 C ATOM 1534 C CYS A 98 4.168 16.465 2.225 1.00 0.40 C ATOM 1535 O CYS A 98 3.681 16.623 1.106 1.00 0.37 O ATOM 1536 CB CYS A 98 4.122 14.575 3.860 1.00 0.49 C ATOM 1537 SG CYS A 98 4.123 13.165 2.727 1.00 1.10 S ATOM 0 H CYS A 98 2.054 14.663 2.162 1.00 0.37 H new ATOM 0 HA CYS A 98 3.239 16.513 4.149 1.00 0.43 H new ATOM 0 HB2 CYS A 98 5.153 14.861 4.068 1.00 0.49 H new ATOM 0 HB3 CYS A 98 3.680 14.266 4.807 1.00 0.49 H new ATOM 0 HG CYS A 98 3.767 12.092 3.369 1.00 1.10 H new ATOM 1543 N GLU A 99 5.398 16.858 2.541 1.00 0.46 N ATOM 1544 CA GLU A 99 6.268 17.506 1.566 1.00 0.47 C ATOM 1545 C GLU A 99 6.677 16.525 0.472 1.00 0.42 C ATOM 1546 O GLU A 99 6.342 15.342 0.534 1.00 0.38 O ATOM 1547 CB GLU A 99 7.511 18.073 2.257 1.00 0.53 C ATOM 1548 CG GLU A 99 8.233 17.064 3.136 1.00 1.09 C ATOM 1549 CD GLU A 99 9.430 17.664 3.847 1.00 1.85 C ATOM 1550 OE1 GLU A 99 10.520 17.707 3.239 1.00 2.07 O ATOM 1551 OE2 GLU A 99 9.277 18.090 5.011 1.00 2.55 O ATOM 0 H GLU A 99 5.815 16.739 3.464 1.00 0.46 H new ATOM 0 HA GLU A 99 5.716 18.325 1.106 1.00 0.47 H new ATOM 0 HB2 GLU A 99 8.202 18.441 1.499 1.00 0.53 H new ATOM 0 HB3 GLU A 99 7.219 18.929 2.865 1.00 0.53 H new ATOM 0 HG2 GLU A 99 7.537 16.667 3.875 1.00 1.09 H new ATOM 0 HG3 GLU A 99 8.562 16.224 2.524 1.00 1.09 H new ATOM 1558 N LYS A 100 7.396 17.021 -0.532 1.00 0.45 N ATOM 1559 CA LYS A 100 7.842 16.173 -1.636 1.00 0.46 C ATOM 1560 C LYS A 100 8.666 14.986 -1.125 1.00 0.45 C ATOM 1561 O LYS A 100 8.370 13.841 -1.470 1.00 0.45 O ATOM 1562 CB LYS A 100 8.638 16.990 -2.662 1.00 0.52 C ATOM 1563 CG LYS A 100 9.351 16.143 -3.711 1.00 0.56 C ATOM 1564 CD LYS A 100 8.389 15.228 -4.461 1.00 0.60 C ATOM 1565 CE LYS A 100 7.361 16.018 -5.255 1.00 0.96 C ATOM 1566 NZ LYS A 100 7.999 16.895 -6.275 1.00 1.77 N ATOM 0 H LYS A 100 7.681 17.998 -0.605 1.00 0.45 H new ATOM 0 HA LYS A 100 6.956 15.774 -2.131 1.00 0.46 H new ATOM 0 HB2 LYS A 100 7.961 17.680 -3.166 1.00 0.52 H new ATOM 0 HB3 LYS A 100 9.376 17.595 -2.136 1.00 0.52 H new ATOM 0 HG2 LYS A 100 9.857 16.797 -4.421 1.00 0.56 H new ATOM 0 HG3 LYS A 100 10.121 15.541 -3.228 1.00 0.56 H new ATOM 0 HD2 LYS A 100 8.952 14.583 -5.136 1.00 0.60 H new ATOM 0 HD3 LYS A 100 7.878 14.578 -3.751 1.00 0.60 H new ATOM 0 HE2 LYS A 100 6.675 15.329 -5.747 1.00 0.96 H new ATOM 0 HE3 LYS A 100 6.767 16.627 -4.574 1.00 0.96 H new ATOM 0 HZ1 LYS A 100 7.272 17.258 -6.924 1.00 1.77 H new ATOM 0 HZ2 LYS A 100 8.470 17.692 -5.802 1.00 1.77 H new ATOM 0 HZ3 LYS A 100 8.701 16.348 -6.813 1.00 1.77 H new ATOM 1580 N PRO A 101 9.711 15.227 -0.301 1.00 0.46 N ATOM 1581 CA PRO A 101 10.542 14.145 0.240 1.00 0.48 C ATOM 1582 C PRO A 101 9.729 13.176 1.094 1.00 0.42 C ATOM 1583 O PRO A 101 9.645 13.325 2.313 1.00 0.45 O ATOM 1584 CB PRO A 101 11.584 14.873 1.100 1.00 0.55 C ATOM 1585 CG PRO A 101 11.577 16.279 0.613 1.00 0.64 C ATOM 1586 CD PRO A 101 10.172 16.550 0.163 1.00 0.48 C ATOM 0 HA PRO A 101 10.984 13.538 -0.550 1.00 0.48 H new ATOM 0 HB2 PRO A 101 11.327 14.821 2.158 1.00 0.55 H new ATOM 0 HB3 PRO A 101 12.570 14.423 0.989 1.00 0.55 H new ATOM 0 HG2 PRO A 101 11.874 16.968 1.404 1.00 0.64 H new ATOM 0 HG3 PRO A 101 12.283 16.412 -0.207 1.00 0.64 H new ATOM 0 HD2 PRO A 101 9.554 16.930 0.976 1.00 0.48 H new ATOM 0 HD3 PRO A 101 10.140 17.291 -0.635 1.00 0.48 H new ATOM 1594 N LEU A 102 9.129 12.183 0.442 1.00 0.40 N ATOM 1595 CA LEU A 102 8.313 11.190 1.135 1.00 0.36 C ATOM 1596 C LEU A 102 9.140 10.398 2.150 1.00 0.37 C ATOM 1597 O LEU A 102 10.233 9.927 1.834 1.00 0.45 O ATOM 1598 CB LEU A 102 7.678 10.238 0.119 1.00 0.38 C ATOM 1599 CG LEU A 102 6.797 10.911 -0.935 1.00 0.41 C ATOM 1600 CD1 LEU A 102 6.316 9.896 -1.960 1.00 0.50 C ATOM 1601 CD2 LEU A 102 5.613 11.605 -0.276 1.00 0.45 C ATOM 0 H LEU A 102 9.193 12.045 -0.567 1.00 0.40 H new ATOM 0 HA LEU A 102 7.529 11.717 1.679 1.00 0.36 H new ATOM 0 HB2 LEU A 102 8.472 9.690 -0.389 1.00 0.38 H new ATOM 0 HB3 LEU A 102 7.078 9.504 0.657 1.00 0.38 H new ATOM 0 HG LEU A 102 7.394 11.662 -1.451 1.00 0.41 H new ATOM 0 HD11 LEU A 102 5.691 10.395 -2.701 1.00 0.50 H new ATOM 0 HD12 LEU A 102 7.175 9.444 -2.456 1.00 0.50 H new ATOM 0 HD13 LEU A 102 5.736 9.120 -1.460 1.00 0.50 H new ATOM 0 HD21 LEU A 102 4.997 12.078 -1.041 1.00 0.45 H new ATOM 0 HD22 LEU A 102 5.017 10.871 0.267 1.00 0.45 H new ATOM 0 HD23 LEU A 102 5.976 12.363 0.418 1.00 0.45 H new ATOM 1613 N PRO A 103 8.627 10.240 3.389 1.00 0.37 N ATOM 1614 CA PRO A 103 9.326 9.498 4.445 1.00 0.40 C ATOM 1615 C PRO A 103 9.286 7.990 4.218 1.00 0.35 C ATOM 1616 O PRO A 103 8.628 7.509 3.295 1.00 0.30 O ATOM 1617 CB PRO A 103 8.546 9.867 5.707 1.00 0.47 C ATOM 1618 CG PRO A 103 7.169 10.157 5.222 1.00 0.46 C ATOM 1619 CD PRO A 103 7.332 10.774 3.860 1.00 0.42 C ATOM 0 HA PRO A 103 10.385 9.751 4.490 1.00 0.40 H new ATOM 0 HB2 PRO A 103 8.549 9.050 6.429 1.00 0.47 H new ATOM 0 HB3 PRO A 103 8.982 10.733 6.204 1.00 0.47 H new ATOM 0 HG2 PRO A 103 6.574 9.245 5.169 1.00 0.46 H new ATOM 0 HG3 PRO A 103 6.652 10.837 5.899 1.00 0.46 H new ATOM 0 HD2 PRO A 103 6.517 10.494 3.193 1.00 0.42 H new ATOM 0 HD3 PRO A 103 7.342 11.863 3.912 1.00 0.42 H new ATOM 1627 N ASP A 104 9.990 7.248 5.069 1.00 0.40 N ATOM 1628 CA ASP A 104 10.034 5.794 4.961 1.00 0.41 C ATOM 1629 C ASP A 104 8.652 5.186 5.185 1.00 0.41 C ATOM 1630 O ASP A 104 8.378 4.067 4.749 1.00 0.54 O ATOM 1631 CB ASP A 104 11.026 5.219 5.974 1.00 0.52 C ATOM 1632 CG ASP A 104 12.414 5.810 5.822 1.00 1.05 C ATOM 1633 OD1 ASP A 104 12.676 6.872 6.427 1.00 1.45 O ATOM 1634 OD2 ASP A 104 13.239 5.212 5.101 1.00 1.57 O ATOM 0 H ASP A 104 10.537 7.630 5.840 1.00 0.40 H new ATOM 0 HA ASP A 104 10.362 5.540 3.953 1.00 0.41 H new ATOM 0 HB2 ASP A 104 10.662 5.409 6.984 1.00 0.52 H new ATOM 0 HB3 ASP A 104 11.079 4.137 5.853 1.00 0.52 H new ATOM 1639 N GLN A 105 7.785 5.931 5.865 1.00 0.36 N ATOM 1640 CA GLN A 105 6.430 5.466 6.148 1.00 0.39 C ATOM 1641 C GLN A 105 5.538 5.598 4.918 1.00 0.34 C ATOM 1642 O GLN A 105 4.363 5.234 4.952 1.00 0.42 O ATOM 1643 CB GLN A 105 5.829 6.255 7.313 1.00 0.48 C ATOM 1644 CG GLN A 105 6.529 6.013 8.639 1.00 0.67 C ATOM 1645 CD GLN A 105 5.975 6.874 9.756 1.00 0.83 C ATOM 1646 OE1 GLN A 105 6.447 7.987 9.990 1.00 1.41 O ATOM 1647 NE2 GLN A 105 4.968 6.363 10.454 1.00 1.65 N ATOM 0 H GLN A 105 7.996 6.860 6.230 1.00 0.36 H new ATOM 0 HA GLN A 105 6.487 4.412 6.421 1.00 0.39 H new ATOM 0 HB2 GLN A 105 5.870 7.319 7.079 1.00 0.48 H new ATOM 0 HB3 GLN A 105 4.776 5.991 7.414 1.00 0.48 H new ATOM 0 HG2 GLN A 105 6.430 4.962 8.912 1.00 0.67 H new ATOM 0 HG3 GLN A 105 7.594 6.213 8.525 1.00 0.67 H new ATOM 0 HE21 GLN A 105 4.608 5.436 10.226 1.00 1.65 H new ATOM 0 HE22 GLN A 105 4.555 6.897 11.218 1.00 1.65 H new ATOM 1656 N ALA A 106 6.102 6.121 3.834 1.00 0.31 N ATOM 1657 CA ALA A 106 5.353 6.298 2.595 1.00 0.30 C ATOM 1658 C ALA A 106 5.601 5.143 1.631 1.00 0.31 C ATOM 1659 O ALA A 106 4.665 4.600 1.044 1.00 0.62 O ATOM 1660 CB ALA A 106 5.719 7.622 1.941 1.00 0.31 C ATOM 0 H ALA A 106 7.073 6.429 3.788 1.00 0.31 H new ATOM 0 HA ALA A 106 4.291 6.308 2.841 1.00 0.30 H new ATOM 0 HB1 ALA A 106 5.152 7.741 1.017 1.00 0.31 H new ATOM 0 HB2 ALA A 106 5.482 8.441 2.620 1.00 0.31 H new ATOM 0 HB3 ALA A 106 6.786 7.634 1.716 1.00 0.31 H new ATOM 1666 N PHE A 107 6.868 4.768 1.476 1.00 0.21 N ATOM 1667 CA PHE A 107 7.239 3.679 0.582 1.00 0.19 C ATOM 1668 C PHE A 107 6.970 2.323 1.228 1.00 0.18 C ATOM 1669 O PHE A 107 7.535 2.001 2.274 1.00 0.24 O ATOM 1670 CB PHE A 107 8.718 3.787 0.200 1.00 0.23 C ATOM 1671 CG PHE A 107 9.087 5.107 -0.415 1.00 0.19 C ATOM 1672 CD1 PHE A 107 8.871 5.341 -1.763 1.00 0.22 C ATOM 1673 CD2 PHE A 107 9.649 6.112 0.355 1.00 0.26 C ATOM 1674 CE1 PHE A 107 9.210 6.554 -2.333 1.00 0.22 C ATOM 1675 CE2 PHE A 107 9.989 7.327 -0.208 1.00 0.27 C ATOM 1676 CZ PHE A 107 9.770 7.548 -1.554 1.00 0.21 C ATOM 0 H PHE A 107 7.654 5.203 1.959 1.00 0.21 H new ATOM 0 HA PHE A 107 6.628 3.760 -0.317 1.00 0.19 H new ATOM 0 HB2 PHE A 107 9.327 3.628 1.090 1.00 0.23 H new ATOM 0 HB3 PHE A 107 8.963 2.989 -0.501 1.00 0.23 H new ATOM 0 HD1 PHE A 107 8.433 4.567 -2.376 1.00 0.22 H new ATOM 0 HD2 PHE A 107 9.823 5.944 1.407 1.00 0.26 H new ATOM 0 HE1 PHE A 107 9.037 6.724 -3.385 1.00 0.22 H new ATOM 0 HE2 PHE A 107 10.425 8.103 0.403 1.00 0.27 H new ATOM 0 HZ PHE A 107 10.036 8.496 -1.997 1.00 0.21 H new ATOM 1686 N PHE A 108 6.103 1.534 0.600 1.00 0.16 N ATOM 1687 CA PHE A 108 5.761 0.210 1.110 1.00 0.17 C ATOM 1688 C PHE A 108 6.372 -0.878 0.232 1.00 0.18 C ATOM 1689 O PHE A 108 6.091 -0.953 -0.961 1.00 0.27 O ATOM 1690 CB PHE A 108 4.241 0.040 1.172 1.00 0.17 C ATOM 1691 CG PHE A 108 3.566 0.987 2.124 1.00 0.20 C ATOM 1692 CD1 PHE A 108 3.692 0.819 3.495 1.00 0.26 C ATOM 1693 CD2 PHE A 108 2.805 2.043 1.649 1.00 0.27 C ATOM 1694 CE1 PHE A 108 3.071 1.688 4.373 1.00 0.30 C ATOM 1695 CE2 PHE A 108 2.182 2.915 2.523 1.00 0.32 C ATOM 1696 CZ PHE A 108 2.315 2.737 3.886 1.00 0.32 C ATOM 0 H PHE A 108 5.624 1.789 -0.264 1.00 0.16 H new ATOM 0 HA PHE A 108 6.169 0.116 2.116 1.00 0.17 H new ATOM 0 HB2 PHE A 108 3.827 0.185 0.174 1.00 0.17 H new ATOM 0 HB3 PHE A 108 4.010 -0.984 1.467 1.00 0.17 H new ATOM 0 HD1 PHE A 108 4.282 0.001 3.881 1.00 0.26 H new ATOM 0 HD2 PHE A 108 2.697 2.187 0.584 1.00 0.27 H new ATOM 0 HE1 PHE A 108 3.177 1.547 5.439 1.00 0.30 H new ATOM 0 HE2 PHE A 108 1.592 3.734 2.140 1.00 0.32 H new ATOM 0 HZ PHE A 108 1.829 3.417 4.570 1.00 0.32 H new ATOM 1706 N VAL A 109 7.205 -1.725 0.828 1.00 0.17 N ATOM 1707 CA VAL A 109 7.852 -2.801 0.087 1.00 0.18 C ATOM 1708 C VAL A 109 6.833 -3.834 -0.386 1.00 0.20 C ATOM 1709 O VAL A 109 6.266 -4.573 0.418 1.00 0.22 O ATOM 1710 CB VAL A 109 8.930 -3.501 0.937 1.00 0.21 C ATOM 1711 CG1 VAL A 109 9.620 -4.595 0.142 1.00 0.23 C ATOM 1712 CG2 VAL A 109 9.949 -2.493 1.440 1.00 0.21 C ATOM 0 H VAL A 109 7.447 -1.687 1.818 1.00 0.17 H new ATOM 0 HA VAL A 109 8.329 -2.346 -0.781 1.00 0.18 H new ATOM 0 HB VAL A 109 8.439 -3.959 1.795 1.00 0.21 H new ATOM 0 HG11 VAL A 109 10.377 -5.074 0.763 1.00 0.23 H new ATOM 0 HG12 VAL A 109 8.885 -5.336 -0.171 1.00 0.23 H new ATOM 0 HG13 VAL A 109 10.095 -4.161 -0.738 1.00 0.23 H new ATOM 0 HG21 VAL A 109 10.703 -3.005 2.038 1.00 0.21 H new ATOM 0 HG22 VAL A 109 10.429 -2.006 0.591 1.00 0.21 H new ATOM 0 HG23 VAL A 109 9.448 -1.743 2.052 1.00 0.21 H new ATOM 1722 N LEU A 110 6.610 -3.880 -1.697 1.00 0.24 N ATOM 1723 CA LEU A 110 5.656 -4.817 -2.280 1.00 0.27 C ATOM 1724 C LEU A 110 6.212 -6.238 -2.277 1.00 0.25 C ATOM 1725 O LEU A 110 7.381 -6.460 -2.593 1.00 0.30 O ATOM 1726 CB LEU A 110 5.308 -4.398 -3.711 1.00 0.35 C ATOM 1727 CG LEU A 110 4.149 -5.166 -4.350 1.00 0.48 C ATOM 1728 CD1 LEU A 110 2.839 -4.832 -3.653 1.00 0.89 C ATOM 1729 CD2 LEU A 110 4.057 -4.858 -5.836 1.00 1.01 C ATOM 0 H LEU A 110 7.078 -3.279 -2.375 1.00 0.24 H new ATOM 0 HA LEU A 110 4.752 -4.800 -1.671 1.00 0.27 H new ATOM 0 HB2 LEU A 110 5.064 -3.336 -3.712 1.00 0.35 H new ATOM 0 HB3 LEU A 110 6.193 -4.522 -4.335 1.00 0.35 H new ATOM 0 HG LEU A 110 4.339 -6.233 -4.233 1.00 0.48 H new ATOM 0 HD11 LEU A 110 2.026 -5.387 -4.121 1.00 0.89 H new ATOM 0 HD12 LEU A 110 2.907 -5.106 -2.600 1.00 0.89 H new ATOM 0 HD13 LEU A 110 2.644 -3.763 -3.738 1.00 0.89 H new ATOM 0 HD21 LEU A 110 3.227 -5.414 -6.272 1.00 1.01 H new ATOM 0 HD22 LEU A 110 3.892 -3.790 -5.977 1.00 1.01 H new ATOM 0 HD23 LEU A 110 4.986 -5.149 -6.326 1.00 1.01 H new ATOM 1741 N HIS A 111 5.362 -7.196 -1.919 1.00 0.24 N ATOM 1742 CA HIS A 111 5.758 -8.600 -1.876 1.00 0.26 C ATOM 1743 C HIS A 111 4.697 -9.481 -2.527 1.00 0.25 C ATOM 1744 O HIS A 111 3.498 -9.235 -2.385 1.00 0.26 O ATOM 1745 CB HIS A 111 5.989 -9.049 -0.432 1.00 0.27 C ATOM 1746 CG HIS A 111 7.243 -8.506 0.176 1.00 0.32 C ATOM 1747 ND1 HIS A 111 8.478 -9.100 0.011 1.00 0.55 N ATOM 1748 CD2 HIS A 111 7.452 -7.422 0.961 1.00 0.26 C ATOM 1749 CE1 HIS A 111 9.389 -8.407 0.670 1.00 0.55 C ATOM 1750 NE2 HIS A 111 8.793 -7.384 1.253 1.00 0.36 N ATOM 0 H HIS A 111 4.392 -7.025 -1.654 1.00 0.24 H new ATOM 0 HA HIS A 111 6.689 -8.704 -2.433 1.00 0.26 H new ATOM 0 HB2 HIS A 111 5.138 -8.740 0.175 1.00 0.27 H new ATOM 0 HB3 HIS A 111 6.023 -10.138 -0.401 1.00 0.27 H new ATOM 0 HD2 HIS A 111 6.703 -6.719 1.295 1.00 0.26 H new ATOM 0 HE1 HIS A 111 10.443 -8.638 0.723 1.00 0.55 H new ATOM 0 HE2 HIS A 111 9.254 -6.679 1.828 1.00 0.36 H new ATOM 1759 N ASN A 112 5.149 -10.507 -3.242 1.00 0.29 N ATOM 1760 CA ASN A 112 4.242 -11.431 -3.914 1.00 0.30 C ATOM 1761 C ASN A 112 3.733 -12.493 -2.946 1.00 0.29 C ATOM 1762 O ASN A 112 4.485 -13.000 -2.113 1.00 0.44 O ATOM 1763 CB ASN A 112 4.947 -12.099 -5.096 1.00 0.46 C ATOM 1764 CG ASN A 112 5.325 -11.109 -6.181 1.00 1.42 C ATOM 1765 OD1 ASN A 112 4.652 -10.097 -6.375 1.00 2.14 O ATOM 1766 ND2 ASN A 112 6.407 -11.398 -6.896 1.00 2.13 N ATOM 0 H ASN A 112 6.138 -10.719 -3.371 1.00 0.29 H new ATOM 0 HA ASN A 112 3.389 -10.861 -4.282 1.00 0.30 H new ATOM 0 HB2 ASN A 112 5.845 -12.605 -4.741 1.00 0.46 H new ATOM 0 HB3 ASN A 112 4.296 -12.865 -5.518 1.00 0.46 H new ATOM 0 HD21 ASN A 112 6.709 -10.769 -7.640 1.00 2.13 H new ATOM 0 HD22 ASN A 112 6.935 -12.248 -6.701 1.00 2.13 H new ATOM 1773 N MET A 113 2.451 -12.826 -3.062 1.00 0.28 N ATOM 1774 CA MET A 113 1.838 -13.828 -2.197 1.00 0.36 C ATOM 1775 C MET A 113 1.293 -14.992 -3.014 1.00 0.40 C ATOM 1776 O MET A 113 1.619 -16.152 -2.759 1.00 0.46 O ATOM 1777 CB MET A 113 0.712 -13.198 -1.374 1.00 0.43 C ATOM 1778 CG MET A 113 1.153 -11.992 -0.562 1.00 0.47 C ATOM 1779 SD MET A 113 2.455 -12.390 0.621 1.00 0.89 S ATOM 1780 CE MET A 113 1.575 -13.477 1.740 1.00 0.58 C ATOM 0 H MET A 113 1.816 -12.416 -3.747 1.00 0.28 H new ATOM 0 HA MET A 113 2.605 -14.209 -1.523 1.00 0.36 H new ATOM 0 HB2 MET A 113 -0.093 -12.899 -2.045 1.00 0.43 H new ATOM 0 HB3 MET A 113 0.302 -13.950 -0.699 1.00 0.43 H new ATOM 0 HG2 MET A 113 1.507 -11.213 -1.238 1.00 0.47 H new ATOM 0 HG3 MET A 113 0.294 -11.585 -0.028 1.00 0.47 H new ATOM 0 HE1 MET A 113 2.149 -13.595 2.659 1.00 0.58 H new ATOM 0 HE2 MET A 113 0.601 -13.047 1.974 1.00 0.58 H new ATOM 0 HE3 MET A 113 1.439 -14.451 1.269 1.00 0.58 H new ATOM 1790 N HIS A 114 0.459 -14.675 -4.000 1.00 0.45 N ATOM 1791 CA HIS A 114 -0.134 -15.694 -4.857 1.00 0.51 C ATOM 1792 C HIS A 114 0.212 -15.440 -6.321 1.00 0.47 C ATOM 1793 O HIS A 114 1.185 -14.750 -6.630 1.00 0.46 O ATOM 1794 CB HIS A 114 -1.654 -15.723 -4.674 1.00 0.54 C ATOM 1795 CG HIS A 114 -2.086 -16.082 -3.287 1.00 0.67 C ATOM 1796 ND1 HIS A 114 -2.517 -17.345 -2.936 1.00 0.94 N ATOM 1797 CD2 HIS A 114 -2.157 -15.337 -2.157 1.00 1.39 C ATOM 1798 CE1 HIS A 114 -2.835 -17.360 -1.655 1.00 1.40 C ATOM 1799 NE2 HIS A 114 -2.625 -16.156 -1.159 1.00 1.75 N ATOM 0 H HIS A 114 0.179 -13.720 -4.225 1.00 0.45 H new ATOM 0 HA HIS A 114 0.276 -16.662 -4.569 1.00 0.51 H new ATOM 0 HB2 HIS A 114 -2.061 -14.745 -4.930 1.00 0.54 H new ATOM 0 HB3 HIS A 114 -2.082 -16.439 -5.375 1.00 0.54 H new ATOM 0 HD1 HIS A 114 -2.580 -18.143 -3.568 1.00 0.94 H new ATOM 0 HD2 HIS A 114 -1.895 -14.294 -2.060 1.00 1.39 H new ATOM 0 HE1 HIS A 114 -3.205 -18.214 -1.106 1.00 1.40 H new ATOM 1808 N SER A 115 -0.589 -16.005 -7.218 1.00 0.49 N ATOM 1809 CA SER A 115 -0.371 -15.851 -8.651 1.00 0.54 C ATOM 1810 C SER A 115 -0.434 -14.386 -9.075 1.00 0.50 C ATOM 1811 O SER A 115 0.466 -13.889 -9.751 1.00 0.56 O ATOM 1812 CB SER A 115 -1.409 -16.661 -9.430 1.00 0.59 C ATOM 1813 OG SER A 115 -1.303 -18.042 -9.137 1.00 1.50 O ATOM 0 H SER A 115 -1.399 -16.576 -6.976 1.00 0.49 H new ATOM 0 HA SER A 115 0.628 -16.224 -8.876 1.00 0.54 H new ATOM 0 HB2 SER A 115 -2.410 -16.309 -9.182 1.00 0.59 H new ATOM 0 HB3 SER A 115 -1.271 -16.501 -10.499 1.00 0.59 H new ATOM 0 HG SER A 115 -1.978 -18.537 -9.646 1.00 1.50 H new ATOM 1819 N ASN A 116 -1.501 -13.699 -8.674 1.00 0.45 N ATOM 1820 CA ASN A 116 -1.679 -12.295 -9.028 1.00 0.50 C ATOM 1821 C ASN A 116 -1.904 -11.428 -7.791 1.00 0.44 C ATOM 1822 O ASN A 116 -2.131 -10.223 -7.902 1.00 0.66 O ATOM 1823 CB ASN A 116 -2.860 -12.142 -9.987 1.00 0.61 C ATOM 1824 CG ASN A 116 -4.151 -12.684 -9.402 1.00 1.08 C ATOM 1825 OD1 ASN A 116 -4.477 -13.859 -9.570 1.00 1.93 O ATOM 1826 ND2 ASN A 116 -4.894 -11.826 -8.711 1.00 1.68 N ATOM 0 H ASN A 116 -2.252 -14.091 -8.106 1.00 0.45 H new ATOM 0 HA ASN A 116 -0.765 -11.957 -9.516 1.00 0.50 H new ATOM 0 HB2 ASN A 116 -2.990 -11.088 -10.234 1.00 0.61 H new ATOM 0 HB3 ASN A 116 -2.639 -12.663 -10.918 1.00 0.61 H new ATOM 0 HD21 ASN A 116 -5.773 -12.133 -8.295 1.00 1.68 H new ATOM 0 HD22 ASN A 116 -4.585 -10.861 -8.597 1.00 1.68 H new ATOM 1833 N CYS A 117 -1.836 -12.044 -6.617 1.00 0.32 N ATOM 1834 CA CYS A 117 -2.037 -11.323 -5.364 1.00 0.32 C ATOM 1835 C CYS A 117 -0.755 -10.628 -4.914 1.00 0.28 C ATOM 1836 O CYS A 117 0.348 -11.097 -5.193 1.00 0.34 O ATOM 1837 CB CYS A 117 -2.518 -12.279 -4.272 1.00 0.43 C ATOM 1838 SG CYS A 117 -2.687 -11.510 -2.648 1.00 0.97 S ATOM 0 H CYS A 117 -1.644 -13.039 -6.505 1.00 0.32 H new ATOM 0 HA CYS A 117 -2.798 -10.562 -5.537 1.00 0.32 H new ATOM 0 HB2 CYS A 117 -3.481 -12.697 -4.567 1.00 0.43 H new ATOM 0 HB3 CYS A 117 -1.818 -13.111 -4.198 1.00 0.43 H new ATOM 0 HG CYS A 117 -3.098 -10.285 -2.789 1.00 0.97 H new ATOM 1844 N VAL A 118 -0.911 -9.504 -4.215 1.00 0.25 N ATOM 1845 CA VAL A 118 0.232 -8.746 -3.719 1.00 0.27 C ATOM 1846 C VAL A 118 -0.021 -8.230 -2.306 1.00 0.24 C ATOM 1847 O VAL A 118 -1.167 -8.148 -1.860 1.00 0.28 O ATOM 1848 CB VAL A 118 0.563 -7.551 -4.636 1.00 0.37 C ATOM 1849 CG1 VAL A 118 0.983 -8.032 -6.016 1.00 0.46 C ATOM 1850 CG2 VAL A 118 -0.625 -6.605 -4.733 1.00 0.41 C ATOM 0 H VAL A 118 -1.818 -9.100 -3.981 1.00 0.25 H new ATOM 0 HA VAL A 118 1.080 -9.431 -3.709 1.00 0.27 H new ATOM 0 HB VAL A 118 1.399 -7.005 -4.198 1.00 0.37 H new ATOM 0 HG11 VAL A 118 1.212 -7.173 -6.647 1.00 0.46 H new ATOM 0 HG12 VAL A 118 1.867 -8.663 -5.928 1.00 0.46 H new ATOM 0 HG13 VAL A 118 0.171 -8.605 -6.464 1.00 0.46 H new ATOM 0 HG21 VAL A 118 -0.372 -5.768 -5.384 1.00 0.41 H new ATOM 0 HG22 VAL A 118 -1.482 -7.138 -5.144 1.00 0.41 H new ATOM 0 HG23 VAL A 118 -0.873 -6.230 -3.740 1.00 0.41 H new ATOM 1860 N SER A 119 1.057 -7.889 -1.604 1.00 0.24 N ATOM 1861 CA SER A 119 0.954 -7.378 -0.240 1.00 0.23 C ATOM 1862 C SER A 119 1.903 -6.202 -0.023 1.00 0.21 C ATOM 1863 O SER A 119 2.993 -6.157 -0.592 1.00 0.30 O ATOM 1864 CB SER A 119 1.261 -8.489 0.766 1.00 0.29 C ATOM 1865 OG SER A 119 1.191 -8.006 2.096 1.00 1.09 O ATOM 0 H SER A 119 2.011 -7.957 -1.957 1.00 0.24 H new ATOM 0 HA SER A 119 -0.067 -7.028 -0.086 1.00 0.23 H new ATOM 0 HB2 SER A 119 0.553 -9.308 0.635 1.00 0.29 H new ATOM 0 HB3 SER A 119 2.255 -8.893 0.574 1.00 0.29 H new ATOM 0 HG SER A 119 1.390 -8.735 2.720 1.00 1.09 H new ATOM 1871 N PHE A 120 1.481 -5.254 0.810 1.00 0.20 N ATOM 1872 CA PHE A 120 2.290 -4.073 1.105 1.00 0.18 C ATOM 1873 C PHE A 120 2.963 -4.202 2.468 1.00 0.18 C ATOM 1874 O PHE A 120 2.291 -4.332 3.490 1.00 0.27 O ATOM 1875 CB PHE A 120 1.418 -2.820 1.073 1.00 0.21 C ATOM 1876 CG PHE A 120 0.646 -2.664 -0.206 1.00 0.24 C ATOM 1877 CD1 PHE A 120 1.270 -2.198 -1.351 1.00 0.40 C ATOM 1878 CD2 PHE A 120 -0.700 -2.989 -0.265 1.00 0.28 C ATOM 1879 CE1 PHE A 120 0.567 -2.057 -2.532 1.00 0.45 C ATOM 1880 CE2 PHE A 120 -1.408 -2.850 -1.443 1.00 0.32 C ATOM 1881 CZ PHE A 120 -0.774 -2.384 -2.578 1.00 0.35 C ATOM 0 H PHE A 120 0.583 -5.280 1.293 1.00 0.20 H new ATOM 0 HA PHE A 120 3.066 -3.991 0.344 1.00 0.18 H new ATOM 0 HB2 PHE A 120 0.719 -2.851 1.909 1.00 0.21 H new ATOM 0 HB3 PHE A 120 2.049 -1.943 1.217 1.00 0.21 H new ATOM 0 HD1 PHE A 120 2.319 -1.942 -1.320 1.00 0.40 H new ATOM 0 HD2 PHE A 120 -1.201 -3.355 0.619 1.00 0.28 H new ATOM 0 HE1 PHE A 120 1.065 -1.692 -3.418 1.00 0.45 H new ATOM 0 HE2 PHE A 120 -2.457 -3.106 -1.476 1.00 0.32 H new ATOM 0 HZ PHE A 120 -1.326 -2.275 -3.500 1.00 0.35 H new ATOM 1891 N GLU A 121 4.293 -4.156 2.477 1.00 0.19 N ATOM 1892 CA GLU A 121 5.058 -4.274 3.716 1.00 0.19 C ATOM 1893 C GLU A 121 5.686 -2.939 4.105 1.00 0.19 C ATOM 1894 O GLU A 121 6.093 -2.159 3.244 1.00 0.19 O ATOM 1895 CB GLU A 121 6.149 -5.337 3.563 1.00 0.23 C ATOM 1896 CG GLU A 121 7.006 -5.519 4.807 1.00 0.29 C ATOM 1897 CD GLU A 121 8.139 -6.504 4.594 1.00 0.33 C ATOM 1898 OE1 GLU A 121 7.899 -7.723 4.728 1.00 0.45 O ATOM 1899 OE2 GLU A 121 9.265 -6.058 4.293 1.00 0.35 O ATOM 0 H GLU A 121 4.864 -4.038 1.640 1.00 0.19 H new ATOM 0 HA GLU A 121 4.372 -4.573 4.508 1.00 0.19 H new ATOM 0 HB2 GLU A 121 5.683 -6.290 3.312 1.00 0.23 H new ATOM 0 HB3 GLU A 121 6.793 -5.066 2.726 1.00 0.23 H new ATOM 0 HG2 GLU A 121 7.418 -4.555 5.104 1.00 0.29 H new ATOM 0 HG3 GLU A 121 6.379 -5.864 5.629 1.00 0.29 H new ATOM 1906 N CYS A 122 5.761 -2.683 5.408 1.00 0.22 N ATOM 1907 CA CYS A 122 6.346 -1.446 5.914 1.00 0.24 C ATOM 1908 C CYS A 122 7.870 -1.523 5.890 1.00 0.27 C ATOM 1909 O CYS A 122 8.464 -2.439 6.459 1.00 0.26 O ATOM 1910 CB CYS A 122 5.859 -1.170 7.337 1.00 0.27 C ATOM 1911 SG CYS A 122 4.066 -0.988 7.482 1.00 0.31 S ATOM 0 H CYS A 122 5.424 -3.316 6.133 1.00 0.22 H new ATOM 0 HA CYS A 122 6.028 -0.628 5.267 1.00 0.24 H new ATOM 0 HB2 CYS A 122 6.184 -1.984 7.985 1.00 0.27 H new ATOM 0 HB3 CYS A 122 6.336 -0.261 7.703 1.00 0.27 H new ATOM 0 HG CYS A 122 3.752 -0.759 8.723 1.00 0.31 H new ATOM 1917 N LYS A 123 8.494 -0.551 5.231 1.00 0.34 N ATOM 1918 CA LYS A 123 9.949 -0.509 5.119 1.00 0.41 C ATOM 1919 C LYS A 123 10.594 -0.062 6.429 1.00 0.43 C ATOM 1920 O LYS A 123 11.698 -0.493 6.763 1.00 0.48 O ATOM 1921 CB LYS A 123 10.363 0.434 3.986 1.00 0.48 C ATOM 1922 CG LYS A 123 11.867 0.532 3.792 1.00 0.65 C ATOM 1923 CD LYS A 123 12.217 1.419 2.607 1.00 0.67 C ATOM 1924 CE LYS A 123 13.720 1.528 2.417 1.00 0.69 C ATOM 1925 NZ LYS A 123 14.069 2.351 1.226 1.00 1.39 N ATOM 0 H LYS A 123 8.014 0.219 4.766 1.00 0.34 H new ATOM 0 HA LYS A 123 10.297 -1.517 4.896 1.00 0.41 H new ATOM 0 HB2 LYS A 123 9.907 0.093 3.056 1.00 0.48 H new ATOM 0 HB3 LYS A 123 9.966 1.429 4.190 1.00 0.48 H new ATOM 0 HG2 LYS A 123 12.327 0.932 4.696 1.00 0.65 H new ATOM 0 HG3 LYS A 123 12.281 -0.464 3.638 1.00 0.65 H new ATOM 0 HD2 LYS A 123 11.763 1.015 1.702 1.00 0.67 H new ATOM 0 HD3 LYS A 123 11.795 2.413 2.758 1.00 0.67 H new ATOM 0 HE2 LYS A 123 14.168 1.969 3.307 1.00 0.69 H new ATOM 0 HE3 LYS A 123 14.146 0.531 2.307 1.00 0.69 H new ATOM 0 HZ1 LYS A 123 15.103 2.402 1.130 1.00 1.39 H new ATOM 0 HZ2 LYS A 123 13.663 1.917 0.373 1.00 1.39 H new ATOM 0 HZ3 LYS A 123 13.685 3.310 1.342 1.00 1.39 H new ATOM 1939 N THR A 124 9.904 0.803 7.164 1.00 0.43 N ATOM 1940 CA THR A 124 10.420 1.306 8.432 1.00 0.49 C ATOM 1941 C THR A 124 10.045 0.385 9.588 1.00 0.44 C ATOM 1942 O THR A 124 10.699 0.387 10.631 1.00 0.50 O ATOM 1943 CB THR A 124 9.900 2.727 8.727 1.00 0.59 C ATOM 1944 OG1 THR A 124 10.340 3.151 10.023 1.00 1.19 O ATOM 1945 CG2 THR A 124 8.381 2.774 8.661 1.00 0.88 C ATOM 0 H THR A 124 8.988 1.170 6.905 1.00 0.43 H new ATOM 0 HA THR A 124 11.506 1.337 8.339 1.00 0.49 H new ATOM 0 HB THR A 124 10.301 3.400 7.969 1.00 0.59 H new ATOM 0 HG1 THR A 124 10.007 4.055 10.202 1.00 1.19 H new ATOM 0 HG21 THR A 124 8.039 3.787 8.873 1.00 0.88 H new ATOM 0 HG22 THR A 124 8.051 2.480 7.665 1.00 0.88 H new ATOM 0 HG23 THR A 124 7.963 2.088 9.398 1.00 0.88 H new ATOM 1953 N ASP A 125 8.991 -0.401 9.396 1.00 0.39 N ATOM 1954 CA ASP A 125 8.531 -1.329 10.424 1.00 0.42 C ATOM 1955 C ASP A 125 8.306 -2.722 9.840 1.00 0.35 C ATOM 1956 O ASP A 125 7.165 -3.149 9.657 1.00 0.36 O ATOM 1957 CB ASP A 125 7.240 -0.816 11.066 1.00 0.52 C ATOM 1958 CG ASP A 125 7.443 0.492 11.804 1.00 0.64 C ATOM 1959 OD1 ASP A 125 8.027 0.466 12.908 1.00 0.78 O ATOM 1960 OD2 ASP A 125 7.017 1.542 11.281 1.00 0.65 O ATOM 0 H ASP A 125 8.439 -0.414 8.538 1.00 0.39 H new ATOM 0 HA ASP A 125 9.305 -1.397 11.188 1.00 0.42 H new ATOM 0 HB2 ASP A 125 6.482 -0.681 10.294 1.00 0.52 H new ATOM 0 HB3 ASP A 125 6.859 -1.566 11.759 1.00 0.52 H new ATOM 1965 N PRO A 126 9.398 -3.452 9.535 1.00 0.43 N ATOM 1966 CA PRO A 126 9.311 -4.802 8.970 1.00 0.46 C ATOM 1967 C PRO A 126 8.422 -5.719 9.802 1.00 0.45 C ATOM 1968 O PRO A 126 8.447 -5.676 11.032 1.00 0.56 O ATOM 1969 CB PRO A 126 10.760 -5.292 8.992 1.00 0.62 C ATOM 1970 CG PRO A 126 11.578 -4.048 8.948 1.00 0.89 C ATOM 1971 CD PRO A 126 10.797 -3.018 9.714 1.00 0.60 C ATOM 0 HA PRO A 126 8.866 -4.801 7.975 1.00 0.46 H new ATOM 0 HB2 PRO A 126 10.969 -5.872 9.891 1.00 0.62 H new ATOM 0 HB3 PRO A 126 10.973 -5.937 8.140 1.00 0.62 H new ATOM 0 HG2 PRO A 126 12.558 -4.209 9.396 1.00 0.89 H new ATOM 0 HG3 PRO A 126 11.746 -3.727 7.920 1.00 0.89 H new ATOM 0 HD2 PRO A 126 11.081 -2.998 10.766 1.00 0.60 H new ATOM 0 HD3 PRO A 126 10.961 -2.015 9.321 1.00 0.60 H new ATOM 1979 N GLY A 127 7.639 -6.549 9.121 1.00 0.40 N ATOM 1980 CA GLY A 127 6.745 -7.461 9.809 1.00 0.43 C ATOM 1981 C GLY A 127 5.308 -6.981 9.786 1.00 0.44 C ATOM 1982 O GLY A 127 4.392 -7.724 10.133 1.00 0.65 O ATOM 0 H GLY A 127 7.608 -6.606 8.103 1.00 0.40 H new ATOM 0 HA2 GLY A 127 6.805 -8.445 9.344 1.00 0.43 H new ATOM 0 HA3 GLY A 127 7.071 -7.576 10.843 1.00 0.43 H new ATOM 1986 N VAL A 128 5.116 -5.733 9.370 1.00 0.28 N ATOM 1987 CA VAL A 128 3.784 -5.146 9.296 1.00 0.32 C ATOM 1988 C VAL A 128 3.333 -5.017 7.844 1.00 0.21 C ATOM 1989 O VAL A 128 4.073 -4.516 6.997 1.00 0.16 O ATOM 1990 CB VAL A 128 3.742 -3.760 9.969 1.00 0.42 C ATOM 1991 CG1 VAL A 128 2.364 -3.134 9.828 1.00 0.93 C ATOM 1992 CG2 VAL A 128 4.135 -3.870 11.434 1.00 1.27 C ATOM 0 H VAL A 128 5.868 -5.108 9.079 1.00 0.28 H new ATOM 0 HA VAL A 128 3.106 -5.813 9.829 1.00 0.32 H new ATOM 0 HB VAL A 128 4.461 -3.112 9.467 1.00 0.42 H new ATOM 0 HG11 VAL A 128 2.357 -2.156 10.310 1.00 0.93 H new ATOM 0 HG12 VAL A 128 2.123 -3.019 8.771 1.00 0.93 H new ATOM 0 HG13 VAL A 128 1.622 -3.777 10.301 1.00 0.93 H new ATOM 0 HG21 VAL A 128 4.100 -2.883 11.895 1.00 1.27 H new ATOM 0 HG22 VAL A 128 3.441 -4.535 11.948 1.00 1.27 H new ATOM 0 HG23 VAL A 128 5.146 -4.271 11.510 1.00 1.27 H new ATOM 2002 N PHE A 129 2.115 -5.470 7.565 1.00 0.23 N ATOM 2003 CA PHE A 129 1.573 -5.416 6.212 1.00 0.19 C ATOM 2004 C PHE A 129 0.195 -4.764 6.191 1.00 0.16 C ATOM 2005 O PHE A 129 -0.629 -5.005 7.074 1.00 0.18 O ATOM 2006 CB PHE A 129 1.471 -6.827 5.626 1.00 0.29 C ATOM 2007 CG PHE A 129 2.770 -7.582 5.617 1.00 0.26 C ATOM 2008 CD1 PHE A 129 3.258 -8.162 6.778 1.00 0.49 C ATOM 2009 CD2 PHE A 129 3.499 -7.717 4.447 1.00 0.30 C ATOM 2010 CE1 PHE A 129 4.449 -8.861 6.771 1.00 0.58 C ATOM 2011 CE2 PHE A 129 4.691 -8.417 4.434 1.00 0.38 C ATOM 2012 CZ PHE A 129 5.167 -8.989 5.597 1.00 0.46 C ATOM 0 H PHE A 129 1.486 -5.878 8.256 1.00 0.23 H new ATOM 0 HA PHE A 129 2.253 -4.814 5.609 1.00 0.19 H new ATOM 0 HB2 PHE A 129 0.737 -7.394 6.198 1.00 0.29 H new ATOM 0 HB3 PHE A 129 1.096 -6.759 4.605 1.00 0.29 H new ATOM 0 HD1 PHE A 129 2.701 -8.066 7.698 1.00 0.49 H new ATOM 0 HD2 PHE A 129 3.132 -7.270 3.535 1.00 0.30 H new ATOM 0 HE1 PHE A 129 4.819 -9.307 7.682 1.00 0.58 H new ATOM 0 HE2 PHE A 129 5.249 -8.516 3.515 1.00 0.38 H new ATOM 0 HZ PHE A 129 6.099 -9.535 5.589 1.00 0.46 H new ATOM 2022 N ILE A 130 -0.050 -3.935 5.178 1.00 0.16 N ATOM 2023 CA ILE A 130 -1.340 -3.272 5.034 1.00 0.16 C ATOM 2024 C ILE A 130 -2.425 -4.313 4.788 1.00 0.18 C ATOM 2025 O ILE A 130 -2.172 -5.336 4.153 1.00 0.26 O ATOM 2026 CB ILE A 130 -1.338 -2.263 3.863 1.00 0.19 C ATOM 2027 CG1 ILE A 130 -0.204 -1.247 4.028 1.00 0.21 C ATOM 2028 CG2 ILE A 130 -2.682 -1.553 3.772 1.00 0.25 C ATOM 2029 CD1 ILE A 130 -0.100 -0.258 2.882 1.00 0.25 C ATOM 0 H ILE A 130 0.626 -3.708 4.449 1.00 0.16 H new ATOM 0 HA ILE A 130 -1.536 -2.726 5.957 1.00 0.16 H new ATOM 0 HB ILE A 130 -1.173 -2.812 2.936 1.00 0.19 H new ATOM 0 HG12 ILE A 130 -0.352 -0.698 4.958 1.00 0.21 H new ATOM 0 HG13 ILE A 130 0.741 -1.782 4.121 1.00 0.21 H new ATOM 0 HG21 ILE A 130 -2.665 -0.846 2.943 1.00 0.25 H new ATOM 0 HG22 ILE A 130 -3.471 -2.287 3.607 1.00 0.25 H new ATOM 0 HG23 ILE A 130 -2.874 -1.017 4.702 1.00 0.25 H new ATOM 0 HD11 ILE A 130 0.725 0.430 3.069 1.00 0.25 H new ATOM 0 HD12 ILE A 130 0.080 -0.797 1.952 1.00 0.25 H new ATOM 0 HD13 ILE A 130 -1.030 0.305 2.801 1.00 0.25 H new ATOM 2041 N GLY A 131 -3.628 -4.063 5.294 1.00 0.19 N ATOM 2042 CA GLY A 131 -4.707 -5.012 5.097 1.00 0.20 C ATOM 2043 C GLY A 131 -5.988 -4.618 5.800 1.00 0.16 C ATOM 2044 O GLY A 131 -5.970 -3.879 6.784 1.00 0.19 O ATOM 0 H GLY A 131 -3.873 -3.231 5.830 1.00 0.19 H new ATOM 0 HA2 GLY A 131 -4.903 -5.112 4.029 1.00 0.20 H new ATOM 0 HA3 GLY A 131 -4.390 -5.991 5.456 1.00 0.20 H new ATOM 2048 N VAL A 132 -7.102 -5.125 5.287 1.00 0.18 N ATOM 2049 CA VAL A 132 -8.415 -4.845 5.851 1.00 0.16 C ATOM 2050 C VAL A 132 -8.576 -5.511 7.213 1.00 0.17 C ATOM 2051 O VAL A 132 -8.596 -6.737 7.317 1.00 0.22 O ATOM 2052 CB VAL A 132 -9.523 -5.343 4.905 1.00 0.17 C ATOM 2053 CG1 VAL A 132 -10.903 -5.006 5.447 1.00 0.18 C ATOM 2054 CG2 VAL A 132 -9.334 -4.756 3.515 1.00 0.22 C ATOM 0 H VAL A 132 -7.121 -5.739 4.472 1.00 0.18 H new ATOM 0 HA VAL A 132 -8.502 -3.765 5.974 1.00 0.16 H new ATOM 0 HB VAL A 132 -9.449 -6.428 4.839 1.00 0.17 H new ATOM 0 HG11 VAL A 132 -11.664 -5.370 4.757 1.00 0.18 H new ATOM 0 HG12 VAL A 132 -11.038 -5.480 6.419 1.00 0.18 H new ATOM 0 HG13 VAL A 132 -10.998 -3.925 5.554 1.00 0.18 H new ATOM 0 HG21 VAL A 132 -10.125 -5.117 2.857 1.00 0.22 H new ATOM 0 HG22 VAL A 132 -9.376 -3.668 3.571 1.00 0.22 H new ATOM 0 HG23 VAL A 132 -8.365 -5.062 3.120 1.00 0.22 H new ATOM 2064 N LYS A 133 -8.688 -4.692 8.256 1.00 0.17 N ATOM 2065 CA LYS A 133 -8.842 -5.201 9.614 1.00 0.21 C ATOM 2066 C LYS A 133 -10.275 -5.669 9.858 1.00 0.22 C ATOM 2067 O LYS A 133 -10.605 -6.832 9.626 1.00 0.24 O ATOM 2068 CB LYS A 133 -8.457 -4.122 10.629 1.00 0.29 C ATOM 2069 CG LYS A 133 -8.211 -4.659 12.030 1.00 0.35 C ATOM 2070 CD LYS A 133 -8.030 -3.532 13.033 1.00 1.17 C ATOM 2071 CE LYS A 133 -7.832 -4.063 14.439 1.00 1.20 C ATOM 2072 NZ LYS A 133 -7.825 -2.971 15.451 1.00 2.26 N ATOM 0 H LYS A 133 -8.675 -3.675 8.186 1.00 0.17 H new ATOM 0 HA LYS A 133 -8.177 -6.056 9.738 1.00 0.21 H new ATOM 0 HB2 LYS A 133 -7.558 -3.613 10.282 1.00 0.29 H new ATOM 0 HB3 LYS A 133 -9.250 -3.375 10.670 1.00 0.29 H new ATOM 0 HG2 LYS A 133 -9.049 -5.286 12.333 1.00 0.35 H new ATOM 0 HG3 LYS A 133 -7.324 -5.292 12.028 1.00 0.35 H new ATOM 0 HD2 LYS A 133 -7.170 -2.925 12.748 1.00 1.17 H new ATOM 0 HD3 LYS A 133 -8.903 -2.879 13.009 1.00 1.17 H new ATOM 0 HE2 LYS A 133 -8.627 -4.771 14.675 1.00 1.20 H new ATOM 0 HE3 LYS A 133 -6.891 -4.611 14.491 1.00 1.20 H new ATOM 0 HZ1 LYS A 133 -7.687 -3.377 16.399 1.00 2.26 H new ATOM 0 HZ2 LYS A 133 -7.051 -2.309 15.242 1.00 2.26 H new ATOM 0 HZ3 LYS A 133 -8.732 -2.463 15.420 1.00 2.26 H new ATOM 2086 N ASP A 134 -11.122 -4.757 10.327 1.00 0.26 N ATOM 2087 CA ASP A 134 -12.520 -5.077 10.592 1.00 0.31 C ATOM 2088 C ASP A 134 -13.365 -4.853 9.343 1.00 0.28 C ATOM 2089 O ASP A 134 -14.149 -5.715 8.945 1.00 0.30 O ATOM 2090 CB ASP A 134 -13.054 -4.219 11.741 1.00 0.39 C ATOM 2091 CG ASP A 134 -12.275 -4.423 13.026 1.00 1.40 C ATOM 2092 OD1 ASP A 134 -12.647 -5.320 13.811 1.00 1.76 O ATOM 2093 OD2 ASP A 134 -11.294 -3.682 13.248 1.00 2.23 O ATOM 0 H ASP A 134 -10.864 -3.791 10.531 1.00 0.26 H new ATOM 0 HA ASP A 134 -12.583 -6.128 10.875 1.00 0.31 H new ATOM 0 HB2 ASP A 134 -13.011 -3.168 11.456 1.00 0.39 H new ATOM 0 HB3 ASP A 134 -14.103 -4.460 11.913 1.00 0.39 H new ATOM 2098 N ASN A 135 -13.193 -3.687 8.730 1.00 0.27 N ATOM 2099 CA ASN A 135 -13.931 -3.332 7.525 1.00 0.27 C ATOM 2100 C ASN A 135 -13.258 -2.163 6.810 1.00 0.23 C ATOM 2101 O ASN A 135 -13.823 -1.574 5.889 1.00 0.26 O ATOM 2102 CB ASN A 135 -15.376 -2.971 7.874 1.00 0.35 C ATOM 2103 CG ASN A 135 -15.466 -1.786 8.815 1.00 1.25 C ATOM 2104 OD1 ASN A 135 -15.535 -0.637 8.379 1.00 2.08 O ATOM 2105 ND2 ASN A 135 -15.462 -2.060 10.115 1.00 1.98 N ATOM 0 H ASN A 135 -12.545 -2.968 9.051 1.00 0.27 H new ATOM 0 HA ASN A 135 -13.934 -4.194 6.858 1.00 0.27 H new ATOM 0 HB2 ASN A 135 -15.922 -2.746 6.958 1.00 0.35 H new ATOM 0 HB3 ASN A 135 -15.862 -3.832 8.332 1.00 0.35 H new ATOM 0 HD21 ASN A 135 -15.518 -1.303 10.796 1.00 1.98 H new ATOM 0 HD22 ASN A 135 -15.403 -3.028 10.432 1.00 1.98 H new ATOM 2112 N HIS A 136 -12.044 -1.836 7.245 1.00 0.19 N ATOM 2113 CA HIS A 136 -11.282 -0.739 6.657 1.00 0.21 C ATOM 2114 C HIS A 136 -9.800 -1.090 6.578 1.00 0.19 C ATOM 2115 O HIS A 136 -9.376 -2.139 7.065 1.00 0.17 O ATOM 2116 CB HIS A 136 -11.474 0.540 7.476 1.00 0.28 C ATOM 2117 CG HIS A 136 -11.187 0.369 8.937 1.00 0.35 C ATOM 2118 ND1 HIS A 136 -12.175 0.186 9.881 1.00 1.34 N ATOM 2119 CD2 HIS A 136 -10.014 0.356 9.615 1.00 0.89 C ATOM 2120 CE1 HIS A 136 -11.624 0.071 11.076 1.00 1.15 C ATOM 2121 NE2 HIS A 136 -10.315 0.169 10.942 1.00 0.49 N ATOM 0 H HIS A 136 -11.565 -2.318 8.006 1.00 0.19 H new ATOM 0 HA HIS A 136 -11.652 -0.572 5.645 1.00 0.21 H new ATOM 0 HB2 HIS A 136 -10.824 1.318 7.076 1.00 0.28 H new ATOM 0 HB3 HIS A 136 -12.500 0.888 7.355 1.00 0.28 H new ATOM 0 HD2 HIS A 136 -9.027 0.471 9.191 1.00 0.89 H new ATOM 0 HE1 HIS A 136 -12.155 -0.078 12.005 1.00 1.15 H new ATOM 0 HE2 HIS A 136 -9.636 0.115 11.701 1.00 0.49 H new ATOM 2130 N LEU A 137 -9.014 -0.205 5.972 1.00 0.21 N ATOM 2131 CA LEU A 137 -7.580 -0.429 5.830 1.00 0.22 C ATOM 2132 C LEU A 137 -6.852 -0.171 7.145 1.00 0.25 C ATOM 2133 O LEU A 137 -7.048 0.861 7.787 1.00 0.38 O ATOM 2134 CB LEU A 137 -7.002 0.471 4.732 1.00 0.27 C ATOM 2135 CG LEU A 137 -7.400 0.096 3.302 1.00 0.27 C ATOM 2136 CD1 LEU A 137 -6.807 1.084 2.309 1.00 0.32 C ATOM 2137 CD2 LEU A 137 -6.949 -1.321 2.975 1.00 0.27 C ATOM 0 H LEU A 137 -9.346 0.673 5.572 1.00 0.21 H new ATOM 0 HA LEU A 137 -7.432 -1.472 5.551 1.00 0.22 H new ATOM 0 HB2 LEU A 137 -7.318 1.497 4.922 1.00 0.27 H new ATOM 0 HB3 LEU A 137 -5.915 0.453 4.805 1.00 0.27 H new ATOM 0 HG LEU A 137 -8.487 0.138 3.226 1.00 0.27 H new ATOM 0 HD11 LEU A 137 -7.100 0.803 1.297 1.00 0.32 H new ATOM 0 HD12 LEU A 137 -7.176 2.086 2.528 1.00 0.32 H new ATOM 0 HD13 LEU A 137 -5.720 1.072 2.389 1.00 0.32 H new ATOM 0 HD21 LEU A 137 -7.241 -1.569 1.955 1.00 0.27 H new ATOM 0 HD22 LEU A 137 -5.865 -1.389 3.069 1.00 0.27 H new ATOM 0 HD23 LEU A 137 -7.418 -2.021 3.667 1.00 0.27 H new ATOM 2149 N ALA A 138 -6.010 -1.122 7.537 1.00 0.20 N ATOM 2150 CA ALA A 138 -5.246 -1.012 8.773 1.00 0.21 C ATOM 2151 C ALA A 138 -3.918 -1.751 8.656 1.00 0.22 C ATOM 2152 O ALA A 138 -3.648 -2.406 7.649 1.00 0.30 O ATOM 2153 CB ALA A 138 -6.053 -1.557 9.940 1.00 0.20 C ATOM 0 H ALA A 138 -5.840 -1.981 7.013 1.00 0.20 H new ATOM 0 HA ALA A 138 -5.035 0.042 8.953 1.00 0.21 H new ATOM 0 HB1 ALA A 138 -5.471 -1.469 10.857 1.00 0.20 H new ATOM 0 HB2 ALA A 138 -6.977 -0.988 10.041 1.00 0.20 H new ATOM 0 HB3 ALA A 138 -6.290 -2.606 9.760 1.00 0.20 H new ATOM 2159 N LEU A 139 -3.093 -1.640 9.693 1.00 0.19 N ATOM 2160 CA LEU A 139 -1.793 -2.300 9.706 1.00 0.21 C ATOM 2161 C LEU A 139 -1.896 -3.686 10.333 1.00 0.22 C ATOM 2162 O LEU A 139 -1.908 -3.826 11.556 1.00 0.28 O ATOM 2163 CB LEU A 139 -0.773 -1.452 10.471 1.00 0.23 C ATOM 2164 CG LEU A 139 -0.525 -0.054 9.897 1.00 0.30 C ATOM 2165 CD1 LEU A 139 0.484 0.700 10.748 1.00 0.62 C ATOM 2166 CD2 LEU A 139 -0.046 -0.144 8.456 1.00 0.82 C ATOM 0 H LEU A 139 -3.302 -1.100 10.533 1.00 0.19 H new ATOM 0 HA LEU A 139 -1.458 -2.411 8.675 1.00 0.21 H new ATOM 0 HB2 LEU A 139 -1.111 -1.349 11.502 1.00 0.23 H new ATOM 0 HB3 LEU A 139 0.175 -1.989 10.498 1.00 0.23 H new ATOM 0 HG LEU A 139 -1.467 0.495 9.912 1.00 0.30 H new ATOM 0 HD11 LEU A 139 0.648 1.691 10.325 1.00 0.62 H new ATOM 0 HD12 LEU A 139 0.102 0.798 11.764 1.00 0.62 H new ATOM 0 HD13 LEU A 139 1.426 0.153 10.766 1.00 0.62 H new ATOM 0 HD21 LEU A 139 0.125 0.859 8.066 1.00 0.82 H new ATOM 0 HD22 LEU A 139 0.884 -0.712 8.416 1.00 0.82 H new ATOM 0 HD23 LEU A 139 -0.803 -0.644 7.852 1.00 0.82 H new ATOM 2178 N ILE A 140 -1.972 -4.707 9.484 1.00 0.18 N ATOM 2179 CA ILE A 140 -2.077 -6.085 9.950 1.00 0.19 C ATOM 2180 C ILE A 140 -0.698 -6.663 10.258 1.00 0.25 C ATOM 2181 O ILE A 140 0.144 -6.788 9.368 1.00 0.31 O ATOM 2182 CB ILE A 140 -2.763 -6.988 8.904 1.00 0.19 C ATOM 2183 CG1 ILE A 140 -3.947 -6.266 8.244 1.00 0.33 C ATOM 2184 CG2 ILE A 140 -3.215 -8.291 9.548 1.00 0.21 C ATOM 2185 CD1 ILE A 140 -5.102 -5.977 9.181 1.00 0.44 C ATOM 0 H ILE A 140 -1.963 -4.605 8.469 1.00 0.18 H new ATOM 0 HA ILE A 140 -2.682 -6.063 10.857 1.00 0.19 H new ATOM 0 HB ILE A 140 -2.038 -7.220 8.123 1.00 0.19 H new ATOM 0 HG12 ILE A 140 -3.594 -5.326 7.821 1.00 0.33 H new ATOM 0 HG13 ILE A 140 -4.310 -6.872 7.414 1.00 0.33 H new ATOM 0 HG21 ILE A 140 -3.697 -8.919 8.799 1.00 0.21 H new ATOM 0 HG22 ILE A 140 -2.350 -8.814 9.957 1.00 0.21 H new ATOM 0 HG23 ILE A 140 -3.921 -8.075 10.350 1.00 0.21 H new ATOM 0 HD11 ILE A 140 -5.895 -5.466 8.635 1.00 0.44 H new ATOM 0 HD12 ILE A 140 -5.486 -6.914 9.585 1.00 0.44 H new ATOM 0 HD13 ILE A 140 -4.758 -5.343 9.998 1.00 0.44 H new ATOM 2197 N LYS A 141 -0.469 -7.010 11.521 1.00 0.35 N ATOM 2198 CA LYS A 141 0.808 -7.583 11.933 1.00 0.44 C ATOM 2199 C LYS A 141 0.858 -9.071 11.599 1.00 0.32 C ATOM 2200 O LYS A 141 0.330 -9.902 12.339 1.00 0.50 O ATOM 2201 CB LYS A 141 1.036 -7.365 13.433 1.00 0.70 C ATOM 2202 CG LYS A 141 2.260 -8.080 13.982 1.00 0.79 C ATOM 2203 CD LYS A 141 3.529 -7.680 13.244 1.00 0.98 C ATOM 2204 CE LYS A 141 4.744 -8.413 13.789 1.00 1.45 C ATOM 2205 NZ LYS A 141 5.980 -8.087 13.025 1.00 2.04 N ATOM 0 H LYS A 141 -1.148 -6.905 12.274 1.00 0.35 H new ATOM 0 HA LYS A 141 1.604 -7.078 11.385 1.00 0.44 H new ATOM 0 HB2 LYS A 141 1.136 -6.296 13.623 1.00 0.70 H new ATOM 0 HB3 LYS A 141 0.155 -7.705 13.977 1.00 0.70 H new ATOM 0 HG2 LYS A 141 2.369 -7.851 15.042 1.00 0.79 H new ATOM 0 HG3 LYS A 141 2.118 -9.158 13.902 1.00 0.79 H new ATOM 0 HD2 LYS A 141 3.418 -7.898 12.182 1.00 0.98 H new ATOM 0 HD3 LYS A 141 3.680 -6.604 13.335 1.00 0.98 H new ATOM 0 HE2 LYS A 141 4.886 -8.151 14.837 1.00 1.45 H new ATOM 0 HE3 LYS A 141 4.567 -9.488 13.751 1.00 1.45 H new ATOM 0 HZ1 LYS A 141 6.782 -8.004 13.682 1.00 2.04 H new ATOM 0 HZ2 LYS A 141 6.173 -8.843 12.337 1.00 2.04 H new ATOM 0 HZ3 LYS A 141 5.850 -7.186 12.522 1.00 2.04 H new ATOM 2219 N VAL A 142 1.496 -9.396 10.480 1.00 0.35 N ATOM 2220 CA VAL A 142 1.609 -10.779 10.034 1.00 0.41 C ATOM 2221 C VAL A 142 3.069 -11.178 9.829 1.00 0.49 C ATOM 2222 O VAL A 142 3.895 -10.362 9.421 1.00 0.70 O ATOM 2223 CB VAL A 142 0.833 -10.994 8.718 1.00 0.56 C ATOM 2224 CG1 VAL A 142 0.939 -12.438 8.254 1.00 0.92 C ATOM 2225 CG2 VAL A 142 -0.623 -10.593 8.891 1.00 0.81 C ATOM 0 H VAL A 142 1.944 -8.718 9.864 1.00 0.35 H new ATOM 0 HA VAL A 142 1.179 -11.407 10.814 1.00 0.41 H new ATOM 0 HB VAL A 142 1.279 -10.361 7.951 1.00 0.56 H new ATOM 0 HG11 VAL A 142 0.384 -12.563 7.325 1.00 0.92 H new ATOM 0 HG12 VAL A 142 1.986 -12.691 8.088 1.00 0.92 H new ATOM 0 HG13 VAL A 142 0.523 -13.097 9.017 1.00 0.92 H new ATOM 0 HG21 VAL A 142 -1.157 -10.750 7.954 1.00 0.81 H new ATOM 0 HG22 VAL A 142 -1.077 -11.200 9.674 1.00 0.81 H new ATOM 0 HG23 VAL A 142 -0.680 -9.541 9.169 1.00 0.81 H new ATOM 2235 N ASP A 143 3.377 -12.440 10.120 1.00 0.49 N ATOM 2236 CA ASP A 143 4.733 -12.954 9.969 1.00 0.57 C ATOM 2237 C ASP A 143 4.936 -13.548 8.579 1.00 0.84 C ATOM 2238 O ASP A 143 3.987 -13.688 7.807 1.00 1.02 O ATOM 2239 CB ASP A 143 5.022 -14.011 11.035 1.00 0.73 C ATOM 2240 CG ASP A 143 4.909 -13.459 12.443 1.00 1.51 C ATOM 2241 OD1 ASP A 143 5.919 -12.936 12.958 1.00 1.78 O ATOM 2242 OD2 ASP A 143 3.809 -13.549 13.029 1.00 2.39 O ATOM 0 H ASP A 143 2.703 -13.125 10.462 1.00 0.49 H new ATOM 0 HA ASP A 143 5.427 -12.123 10.095 1.00 0.57 H new ATOM 0 HB2 ASP A 143 4.327 -14.842 10.917 1.00 0.73 H new ATOM 0 HB3 ASP A 143 6.025 -14.411 10.884 1.00 0.73 H new ATOM 2247 N SER A 144 6.181 -13.900 8.269 1.00 1.03 N ATOM 2248 CA SER A 144 6.517 -14.473 6.970 1.00 1.43 C ATOM 2249 C SER A 144 6.487 -15.999 7.016 1.00 1.30 C ATOM 2250 O SER A 144 7.015 -16.664 6.123 1.00 1.83 O ATOM 2251 CB SER A 144 7.898 -13.991 6.521 1.00 2.21 C ATOM 2252 OG SER A 144 8.217 -14.480 5.231 1.00 3.06 O ATOM 0 H SER A 144 6.975 -13.798 8.901 1.00 1.03 H new ATOM 0 HA SER A 144 5.769 -14.139 6.251 1.00 1.43 H new ATOM 0 HB2 SER A 144 7.922 -12.901 6.516 1.00 2.21 H new ATOM 0 HB3 SER A 144 8.652 -14.323 7.235 1.00 2.21 H new ATOM 0 HG SER A 144 7.938 -15.417 5.158 1.00 3.06 H new ATOM 2258 N SER A 145 5.867 -16.550 8.057 1.00 1.31 N ATOM 2259 CA SER A 145 5.772 -17.999 8.209 1.00 1.34 C ATOM 2260 C SER A 145 4.767 -18.379 9.290 1.00 1.30 C ATOM 2261 O SER A 145 3.920 -19.248 9.082 1.00 1.61 O ATOM 2262 CB SER A 145 7.144 -18.587 8.542 1.00 1.94 C ATOM 2263 OG SER A 145 7.069 -19.991 8.716 1.00 2.25 O ATOM 0 H SER A 145 5.424 -16.017 8.805 1.00 1.31 H new ATOM 0 HA SER A 145 5.424 -18.412 7.262 1.00 1.34 H new ATOM 0 HB2 SER A 145 7.847 -18.354 7.742 1.00 1.94 H new ATOM 0 HB3 SER A 145 7.530 -18.125 9.451 1.00 1.94 H new ATOM 0 HG SER A 145 7.959 -20.343 8.926 1.00 2.25 H new ATOM 2269 N GLU A 146 4.866 -17.730 10.446 1.00 1.26 N ATOM 2270 CA GLU A 146 3.960 -18.008 11.555 1.00 1.51 C ATOM 2271 C GLU A 146 2.519 -17.696 11.166 1.00 1.43 C ATOM 2272 O GLU A 146 1.577 -18.160 11.809 1.00 1.95 O ATOM 2273 CB GLU A 146 4.354 -17.194 12.790 1.00 1.75 C ATOM 2274 CG GLU A 146 5.701 -17.585 13.380 1.00 1.72 C ATOM 2275 CD GLU A 146 6.864 -17.219 12.478 1.00 2.48 C ATOM 2276 OE1 GLU A 146 7.270 -16.037 12.484 1.00 3.04 O ATOM 2277 OE2 GLU A 146 7.369 -18.113 11.768 1.00 3.07 O ATOM 0 H GLU A 146 5.562 -17.010 10.639 1.00 1.26 H new ATOM 0 HA GLU A 146 4.036 -19.069 11.794 1.00 1.51 H new ATOM 0 HB2 GLU A 146 4.377 -16.137 12.525 1.00 1.75 H new ATOM 0 HB3 GLU A 146 3.585 -17.314 13.553 1.00 1.75 H new ATOM 0 HG2 GLU A 146 5.827 -17.094 14.345 1.00 1.72 H new ATOM 0 HG3 GLU A 146 5.714 -18.659 13.565 1.00 1.72 H new ATOM 2284 N ASN A 147 2.357 -16.907 10.108 1.00 1.13 N ATOM 2285 CA ASN A 147 1.034 -16.529 9.628 1.00 1.51 C ATOM 2286 C ASN A 147 1.018 -16.399 8.109 1.00 1.30 C ATOM 2287 O ASN A 147 1.136 -15.301 7.566 1.00 1.68 O ATOM 2288 CB ASN A 147 0.593 -15.215 10.275 1.00 2.13 C ATOM 2289 CG ASN A 147 0.428 -15.335 11.778 1.00 2.99 C ATOM 2290 OD1 ASN A 147 1.373 -15.119 12.537 1.00 3.45 O ATOM 2291 ND2 ASN A 147 -0.777 -15.682 12.215 1.00 3.59 N ATOM 0 H ASN A 147 3.128 -16.517 9.566 1.00 1.13 H new ATOM 0 HA ASN A 147 0.334 -17.316 9.908 1.00 1.51 H new ATOM 0 HB2 ASN A 147 1.327 -14.440 10.054 1.00 2.13 H new ATOM 0 HB3 ASN A 147 -0.351 -14.895 9.833 1.00 2.13 H new ATOM 0 HD21 ASN A 147 -0.948 -15.779 13.216 1.00 3.59 H new ATOM 0 HD22 ASN A 147 -1.531 -15.851 11.550 1.00 3.59 H new ATOM 2298 N LEU A 148 0.877 -17.531 7.426 1.00 0.97 N ATOM 2299 CA LEU A 148 0.840 -17.546 5.968 1.00 1.05 C ATOM 2300 C LEU A 148 -0.600 -17.523 5.468 1.00 0.99 C ATOM 2301 O LEU A 148 -0.879 -17.052 4.367 1.00 1.29 O ATOM 2302 CB LEU A 148 1.566 -18.780 5.426 1.00 1.08 C ATOM 2303 CG LEU A 148 3.060 -18.850 5.747 1.00 1.18 C ATOM 2304 CD1 LEU A 148 3.655 -20.149 5.226 1.00 1.72 C ATOM 2305 CD2 LEU A 148 3.793 -17.654 5.156 1.00 1.74 C ATOM 0 H LEU A 148 0.786 -18.450 7.859 1.00 0.97 H new ATOM 0 HA LEU A 148 1.349 -16.653 5.605 1.00 1.05 H new ATOM 0 HB2 LEU A 148 1.083 -19.671 5.826 1.00 1.08 H new ATOM 0 HB3 LEU A 148 1.442 -18.809 4.344 1.00 1.08 H new ATOM 0 HG LEU A 148 3.180 -18.824 6.830 1.00 1.18 H new ATOM 0 HD11 LEU A 148 4.718 -20.183 5.463 1.00 1.72 H new ATOM 0 HD12 LEU A 148 3.152 -20.994 5.696 1.00 1.72 H new ATOM 0 HD13 LEU A 148 3.522 -20.203 4.145 1.00 1.72 H new ATOM 0 HD21 LEU A 148 4.854 -17.723 5.396 1.00 1.74 H new ATOM 0 HD22 LEU A 148 3.665 -17.647 4.074 1.00 1.74 H new ATOM 0 HD23 LEU A 148 3.385 -16.734 5.575 1.00 1.74 H new ATOM 2317 N CYS A 149 -1.510 -18.036 6.291 1.00 0.81 N ATOM 2318 CA CYS A 149 -2.926 -18.073 5.942 1.00 0.79 C ATOM 2319 C CYS A 149 -3.637 -16.816 6.434 1.00 0.79 C ATOM 2320 O CYS A 149 -4.238 -16.808 7.508 1.00 1.26 O ATOM 2321 CB CYS A 149 -3.590 -19.317 6.537 1.00 0.77 C ATOM 2322 SG CYS A 149 -2.868 -20.878 5.979 1.00 1.73 S ATOM 0 H CYS A 149 -1.291 -18.432 7.205 1.00 0.81 H new ATOM 0 HA CYS A 149 -3.007 -18.115 4.856 1.00 0.79 H new ATOM 0 HB2 CYS A 149 -3.524 -19.266 7.624 1.00 0.77 H new ATOM 0 HB3 CYS A 149 -4.650 -19.307 6.282 1.00 0.77 H new ATOM 0 HG CYS A 149 -3.495 -21.870 6.538 1.00 1.73 H new ATOM 2328 N THR A 150 -3.562 -15.754 5.639 1.00 0.52 N ATOM 2329 CA THR A 150 -4.189 -14.486 5.989 1.00 0.47 C ATOM 2330 C THR A 150 -4.778 -13.816 4.750 1.00 0.37 C ATOM 2331 O THR A 150 -4.093 -13.077 4.044 1.00 0.35 O ATOM 2332 CB THR A 150 -3.178 -13.537 6.657 1.00 0.52 C ATOM 2333 OG1 THR A 150 -2.487 -14.221 7.710 1.00 0.83 O ATOM 2334 CG2 THR A 150 -3.872 -12.310 7.224 1.00 1.06 C ATOM 0 H THR A 150 -3.071 -15.747 4.745 1.00 0.52 H new ATOM 0 HA THR A 150 -4.991 -14.698 6.696 1.00 0.47 H new ATOM 0 HB THR A 150 -2.466 -13.214 5.897 1.00 0.52 H new ATOM 0 HG1 THR A 150 -1.844 -13.612 8.129 1.00 0.83 H new ATOM 0 HG21 THR A 150 -3.134 -11.657 7.690 1.00 1.06 H new ATOM 0 HG22 THR A 150 -4.376 -11.773 6.420 1.00 1.06 H new ATOM 0 HG23 THR A 150 -4.605 -12.619 7.969 1.00 1.06 H new ATOM 2342 N GLU A 151 -6.053 -14.089 4.489 1.00 0.38 N ATOM 2343 CA GLU A 151 -6.740 -13.536 3.325 1.00 0.34 C ATOM 2344 C GLU A 151 -6.921 -12.019 3.415 1.00 0.28 C ATOM 2345 O GLU A 151 -7.013 -11.342 2.392 1.00 0.28 O ATOM 2346 CB GLU A 151 -8.103 -14.208 3.152 1.00 0.46 C ATOM 2347 CG GLU A 151 -8.015 -15.708 2.924 1.00 1.22 C ATOM 2348 CD GLU A 151 -9.373 -16.342 2.690 1.00 1.34 C ATOM 2349 OE1 GLU A 151 -10.025 -16.731 3.681 1.00 1.46 O ATOM 2350 OE2 GLU A 151 -9.783 -16.448 1.515 1.00 1.95 O ATOM 0 H GLU A 151 -6.634 -14.693 5.071 1.00 0.38 H new ATOM 0 HA GLU A 151 -6.111 -13.738 2.458 1.00 0.34 H new ATOM 0 HB2 GLU A 151 -8.708 -14.018 4.039 1.00 0.46 H new ATOM 0 HB3 GLU A 151 -8.621 -13.750 2.309 1.00 0.46 H new ATOM 0 HG2 GLU A 151 -7.373 -15.904 2.065 1.00 1.22 H new ATOM 0 HG3 GLU A 151 -7.543 -16.176 3.788 1.00 1.22 H new ATOM 2357 N ASN A 152 -6.972 -11.487 4.632 1.00 0.27 N ATOM 2358 CA ASN A 152 -7.170 -10.050 4.822 1.00 0.28 C ATOM 2359 C ASN A 152 -5.970 -9.232 4.343 1.00 0.29 C ATOM 2360 O ASN A 152 -6.124 -8.070 3.964 1.00 0.32 O ATOM 2361 CB ASN A 152 -7.477 -9.735 6.288 1.00 0.37 C ATOM 2362 CG ASN A 152 -6.478 -10.352 7.245 1.00 0.53 C ATOM 2363 OD1 ASN A 152 -5.402 -9.627 7.523 1.00 1.30 O flip ATOM 2364 ND2 ASN A 152 -6.674 -11.466 7.731 1.00 1.29 N flip ATOM 0 H ASN A 152 -6.880 -12.022 5.496 1.00 0.27 H new ATOM 0 HA ASN A 152 -8.025 -9.763 4.210 1.00 0.28 H new ATOM 0 HB2 ASN A 152 -7.487 -8.654 6.428 1.00 0.37 H new ATOM 0 HB3 ASN A 152 -8.476 -10.097 6.531 1.00 0.37 H new ATOM 0 HD21 ASN A 152 -7.516 -11.987 7.488 1.00 1.29 H new ATOM 0 HD22 ASN A 152 -5.994 -11.868 8.377 1.00 1.29 H new ATOM 2371 N ILE A 153 -4.778 -9.827 4.357 1.00 0.31 N ATOM 2372 CA ILE A 153 -3.578 -9.120 3.910 1.00 0.37 C ATOM 2373 C ILE A 153 -3.308 -9.369 2.430 1.00 0.38 C ATOM 2374 O ILE A 153 -2.227 -9.059 1.927 1.00 0.71 O ATOM 2375 CB ILE A 153 -2.329 -9.523 4.722 1.00 0.42 C ATOM 2376 CG1 ILE A 153 -2.012 -11.006 4.517 1.00 0.40 C ATOM 2377 CG2 ILE A 153 -2.533 -9.214 6.197 1.00 0.48 C ATOM 2378 CD1 ILE A 153 -0.710 -11.447 5.154 1.00 0.48 C ATOM 0 H ILE A 153 -4.618 -10.785 4.669 1.00 0.31 H new ATOM 0 HA ILE A 153 -3.772 -8.060 4.072 1.00 0.37 H new ATOM 0 HB ILE A 153 -1.480 -8.941 4.365 1.00 0.42 H new ATOM 0 HG12 ILE A 153 -2.827 -11.602 4.928 1.00 0.40 H new ATOM 0 HG13 ILE A 153 -1.972 -11.215 3.448 1.00 0.40 H new ATOM 0 HG21 ILE A 153 -1.643 -9.504 6.756 1.00 0.48 H new ATOM 0 HG22 ILE A 153 -2.709 -8.146 6.324 1.00 0.48 H new ATOM 0 HG23 ILE A 153 -3.393 -9.770 6.570 1.00 0.48 H new ATOM 0 HD11 ILE A 153 -0.554 -12.509 4.966 1.00 0.48 H new ATOM 0 HD12 ILE A 153 0.115 -10.878 4.726 1.00 0.48 H new ATOM 0 HD13 ILE A 153 -0.753 -11.271 6.229 1.00 0.48 H new ATOM 2390 N LEU A 154 -4.295 -9.930 1.738 1.00 0.24 N ATOM 2391 CA LEU A 154 -4.161 -10.218 0.314 1.00 0.22 C ATOM 2392 C LEU A 154 -4.839 -9.138 -0.525 1.00 0.20 C ATOM 2393 O LEU A 154 -6.057 -8.972 -0.471 1.00 0.28 O ATOM 2394 CB LEU A 154 -4.763 -11.589 -0.009 1.00 0.23 C ATOM 2395 CG LEU A 154 -4.159 -12.769 0.762 1.00 0.28 C ATOM 2396 CD1 LEU A 154 -4.780 -14.078 0.300 1.00 0.30 C ATOM 2397 CD2 LEU A 154 -2.646 -12.809 0.591 1.00 0.35 C ATOM 0 H LEU A 154 -5.195 -10.194 2.139 1.00 0.24 H new ATOM 0 HA LEU A 154 -3.099 -10.229 0.068 1.00 0.22 H new ATOM 0 HB2 LEU A 154 -5.833 -11.554 0.193 1.00 0.23 H new ATOM 0 HB3 LEU A 154 -4.646 -11.776 -1.076 1.00 0.23 H new ATOM 0 HG LEU A 154 -4.379 -12.634 1.821 1.00 0.28 H new ATOM 0 HD11 LEU A 154 -4.341 -14.906 0.857 1.00 0.30 H new ATOM 0 HD12 LEU A 154 -5.855 -14.053 0.476 1.00 0.30 H new ATOM 0 HD13 LEU A 154 -4.590 -14.215 -0.764 1.00 0.30 H new ATOM 0 HD21 LEU A 154 -2.239 -13.654 1.147 1.00 0.35 H new ATOM 0 HD22 LEU A 154 -2.402 -12.918 -0.466 1.00 0.35 H new ATOM 0 HD23 LEU A 154 -2.212 -11.883 0.970 1.00 0.35 H new ATOM 2409 N PHE A 155 -4.041 -8.407 -1.301 1.00 0.17 N ATOM 2410 CA PHE A 155 -4.567 -7.340 -2.147 1.00 0.18 C ATOM 2411 C PHE A 155 -4.557 -7.735 -3.620 1.00 0.17 C ATOM 2412 O PHE A 155 -3.741 -8.549 -4.054 1.00 0.20 O ATOM 2413 CB PHE A 155 -3.756 -6.058 -1.955 1.00 0.22 C ATOM 2414 CG PHE A 155 -4.156 -5.268 -0.743 1.00 0.24 C ATOM 2415 CD1 PHE A 155 -5.323 -4.521 -0.744 1.00 0.37 C ATOM 2416 CD2 PHE A 155 -3.366 -5.271 0.395 1.00 0.43 C ATOM 2417 CE1 PHE A 155 -5.694 -3.791 0.369 1.00 0.42 C ATOM 2418 CE2 PHE A 155 -3.733 -4.543 1.510 1.00 0.52 C ATOM 2419 CZ PHE A 155 -4.898 -3.802 1.497 1.00 0.42 C ATOM 0 H PHE A 155 -3.031 -8.534 -1.361 1.00 0.17 H new ATOM 0 HA PHE A 155 -5.600 -7.166 -1.847 1.00 0.18 H new ATOM 0 HB2 PHE A 155 -2.699 -6.315 -1.878 1.00 0.22 H new ATOM 0 HB3 PHE A 155 -3.868 -5.431 -2.840 1.00 0.22 H new ATOM 0 HD1 PHE A 155 -5.949 -4.509 -1.624 1.00 0.37 H new ATOM 0 HD2 PHE A 155 -2.454 -5.849 0.411 1.00 0.43 H new ATOM 0 HE1 PHE A 155 -6.606 -3.212 0.357 1.00 0.42 H new ATOM 0 HE2 PHE A 155 -3.109 -4.553 2.391 1.00 0.52 H new ATOM 0 HZ PHE A 155 -5.186 -3.232 2.368 1.00 0.42 H new ATOM 2429 N LYS A 156 -5.472 -7.143 -4.380 1.00 0.18 N ATOM 2430 CA LYS A 156 -5.585 -7.411 -5.809 1.00 0.21 C ATOM 2431 C LYS A 156 -5.587 -6.103 -6.592 1.00 0.22 C ATOM 2432 O LYS A 156 -6.200 -5.119 -6.171 1.00 0.28 O ATOM 2433 CB LYS A 156 -6.861 -8.202 -6.106 1.00 0.24 C ATOM 2434 CG LYS A 156 -6.922 -9.547 -5.398 1.00 0.27 C ATOM 2435 CD LYS A 156 -8.273 -10.221 -5.588 1.00 0.40 C ATOM 2436 CE LYS A 156 -8.544 -10.538 -7.050 1.00 0.93 C ATOM 2437 NZ LYS A 156 -9.840 -11.248 -7.234 1.00 1.38 N ATOM 0 H LYS A 156 -6.151 -6.469 -4.026 1.00 0.18 H new ATOM 0 HA LYS A 156 -4.726 -8.006 -6.118 1.00 0.21 H new ATOM 0 HB2 LYS A 156 -7.725 -7.606 -5.811 1.00 0.24 H new ATOM 0 HB3 LYS A 156 -6.937 -8.363 -7.181 1.00 0.24 H new ATOM 0 HG2 LYS A 156 -6.134 -10.196 -5.781 1.00 0.27 H new ATOM 0 HG3 LYS A 156 -6.731 -9.407 -4.334 1.00 0.27 H new ATOM 0 HD2 LYS A 156 -8.306 -11.141 -5.004 1.00 0.40 H new ATOM 0 HD3 LYS A 156 -9.060 -9.572 -5.205 1.00 0.40 H new ATOM 0 HE2 LYS A 156 -8.552 -9.613 -7.626 1.00 0.93 H new ATOM 0 HE3 LYS A 156 -7.734 -11.152 -7.444 1.00 0.93 H new ATOM 0 HZ1 LYS A 156 -9.987 -11.446 -8.244 1.00 1.38 H new ATOM 0 HZ2 LYS A 156 -9.824 -12.143 -6.705 1.00 1.38 H new ATOM 0 HZ3 LYS A 156 -10.616 -10.652 -6.881 1.00 1.38 H new ATOM 2451 N LEU A 157 -4.901 -6.096 -7.731 1.00 0.25 N ATOM 2452 CA LEU A 157 -4.820 -4.903 -8.567 1.00 0.29 C ATOM 2453 C LEU A 157 -5.533 -5.115 -9.898 1.00 0.32 C ATOM 2454 O LEU A 157 -5.344 -6.138 -10.557 1.00 0.53 O ATOM 2455 CB LEU A 157 -3.357 -4.531 -8.816 1.00 0.39 C ATOM 2456 CG LEU A 157 -2.496 -4.402 -7.558 1.00 0.48 C ATOM 2457 CD1 LEU A 157 -1.041 -4.167 -7.934 1.00 0.58 C ATOM 2458 CD2 LEU A 157 -3.006 -3.274 -6.673 1.00 0.51 C ATOM 0 H LEU A 157 -4.394 -6.902 -8.096 1.00 0.25 H new ATOM 0 HA LEU A 157 -5.315 -4.088 -8.039 1.00 0.29 H new ATOM 0 HB2 LEU A 157 -2.912 -5.285 -9.466 1.00 0.39 H new ATOM 0 HB3 LEU A 157 -3.326 -3.585 -9.357 1.00 0.39 H new ATOM 0 HG LEU A 157 -2.563 -5.334 -6.997 1.00 0.48 H new ATOM 0 HD11 LEU A 157 -0.441 -4.077 -7.028 1.00 0.58 H new ATOM 0 HD12 LEU A 157 -0.679 -5.006 -8.528 1.00 0.58 H new ATOM 0 HD13 LEU A 157 -0.959 -3.249 -8.516 1.00 0.58 H new ATOM 0 HD21 LEU A 157 -2.381 -3.198 -5.783 1.00 0.51 H new ATOM 0 HD22 LEU A 157 -2.969 -2.334 -7.224 1.00 0.51 H new ATOM 0 HD23 LEU A 157 -4.034 -3.480 -6.377 1.00 0.51 H new ATOM 2470 N SER A 158 -6.351 -4.142 -10.288 1.00 0.41 N ATOM 2471 CA SER A 158 -7.087 -4.218 -11.542 1.00 0.48 C ATOM 2472 C SER A 158 -6.568 -3.188 -12.540 1.00 0.50 C ATOM 2473 O SER A 158 -6.625 -1.983 -12.291 1.00 0.69 O ATOM 2474 CB SER A 158 -8.577 -3.993 -11.295 1.00 0.57 C ATOM 2475 OG SER A 158 -8.802 -2.784 -10.592 1.00 1.47 O ATOM 0 H SER A 158 -6.520 -3.291 -9.752 1.00 0.41 H new ATOM 0 HA SER A 158 -6.939 -5.213 -11.961 1.00 0.48 H new ATOM 0 HB2 SER A 158 -9.107 -3.967 -12.247 1.00 0.57 H new ATOM 0 HB3 SER A 158 -8.985 -4.829 -10.726 1.00 0.57 H new ATOM 0 HG SER A 158 -8.092 -2.144 -10.807 1.00 1.47 H new ATOM 2481 N GLU A 159 -6.065 -3.671 -13.670 1.00 0.58 N ATOM 2482 CA GLU A 159 -5.539 -2.794 -14.710 1.00 0.66 C ATOM 2483 C GLU A 159 -6.633 -2.413 -15.703 1.00 0.60 C ATOM 2484 O GLU A 159 -6.816 -3.077 -16.724 1.00 0.73 O ATOM 2485 CB GLU A 159 -4.382 -3.475 -15.441 1.00 0.94 C ATOM 2486 CG GLU A 159 -3.161 -3.707 -14.564 1.00 1.13 C ATOM 2487 CD GLU A 159 -2.054 -4.443 -15.291 1.00 1.69 C ATOM 2488 OE1 GLU A 159 -1.298 -3.789 -16.041 1.00 2.23 O ATOM 2489 OE2 GLU A 159 -1.944 -5.674 -15.113 1.00 2.11 O ATOM 0 H GLU A 159 -6.010 -4.666 -13.890 1.00 0.58 H new ATOM 0 HA GLU A 159 -5.173 -1.884 -14.235 1.00 0.66 H new ATOM 0 HB2 GLU A 159 -4.724 -4.432 -15.834 1.00 0.94 H new ATOM 0 HB3 GLU A 159 -4.094 -2.864 -16.297 1.00 0.94 H new ATOM 0 HG2 GLU A 159 -2.784 -2.747 -14.211 1.00 1.13 H new ATOM 0 HG3 GLU A 159 -3.454 -4.278 -13.683 1.00 1.13 H new ATOM 2496 N THR A 160 -7.357 -1.342 -15.394 1.00 0.57 N ATOM 2497 CA THR A 160 -8.432 -0.870 -16.259 1.00 0.69 C ATOM 2498 C THR A 160 -8.029 0.407 -16.989 1.00 1.35 C ATOM 2499 O THR A 160 -7.490 0.300 -18.112 1.00 1.89 O ATOM 2500 CB THR A 160 -9.724 -0.610 -15.460 1.00 1.14 C ATOM 2501 OG1 THR A 160 -9.468 0.317 -14.399 1.00 1.94 O ATOM 2502 CG2 THR A 160 -10.274 -1.907 -14.885 1.00 1.98 C ATOM 2503 OXT THR A 160 -8.255 1.504 -16.435 1.00 2.15 O ATOM 0 H THR A 160 -7.219 -0.785 -14.551 1.00 0.57 H new ATOM 0 HA THR A 160 -8.620 -1.657 -16.989 1.00 0.69 H new ATOM 0 HB THR A 160 -10.465 -0.188 -16.139 1.00 1.14 H new ATOM 0 HG1 THR A 160 -8.944 1.070 -14.742 1.00 1.94 H new ATOM 0 HG21 THR A 160 -11.186 -1.699 -14.325 1.00 1.98 H new ATOM 0 HG22 THR A 160 -10.497 -2.599 -15.697 1.00 1.98 H new ATOM 0 HG23 THR A 160 -9.534 -2.353 -14.220 1.00 1.98 H new TER 2511 THR A 160