USER MOD reduce.3.24.130724 H: found=0, std=0, add=1160, rem=0, adj=54 USER MOD reduce.3.24.130724 removed 1162 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 22 LYS NZ :NH3+ -128:sc= 0.583 (180deg=-1.72!) USER MOD Set 1.2: A 155 GLN : amide:sc= 0.825 K(o=1.4,f=-4.4) USER MOD Set 2.1: A 17 SER OG : rot 49:sc= 0.495 USER MOD Set 2.2: A 154 ASN :FLIP amide:sc= 0.0103 F(o=-1.7,f=0.5) USER MOD Set 3.1: A 148 GLN : amide:sc= 1 K(o=2.3,f=-3.9) USER MOD Set 3.2: A 151 LYS NZ :NH3+ -119:sc= 1.27 (180deg=0) USER MOD Set 4.1: A 143 ASN : amide:sc= 0.068 K(o=-0.29,f=-3.6!) USER MOD Set 4.2: A 147 ASN : amide:sc= -0.358 K(o=-0.29,f=-2.4!) USER MOD Set 5.1: A 128 SER OG : rot -86:sc= -0.987 USER MOD Set 5.2: A 132 GLN : amide:sc= 0.351 K(o=-0.64,f=-1.5) USER MOD Set 6.1: A 9 LYS NZ :NH3+ 141:sc= -0.836 (180deg=-2.44!) USER MOD Set 6.2: A 123 THR OG1 : rot 180:sc= 0.28 USER MOD Set 7.1: A 47 TYR OH : rot 30:sc= 0 USER MOD Set 7.2: A 62 GLN :FLIP amide:sc= -1.01 F(o=-2.4!,f=-1) USER MOD Set 8.1: A 15 THR OG1 : rot -70:sc= 0.509 USER MOD Set 8.2: A 117 THR OG1 : rot 180:sc= 0.475 USER MOD Set 9.1: A 13 THR OG1 : rot 180:sc= 0 USER MOD Set 9.2: A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 172:sc= 1.65 (180deg=1.58) USER MOD Single : A 6 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0479) USER MOD Single : A 7 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0179) USER MOD Single : A 8 ASN : amide:sc= -0.0892 X(o=-0.089,f=-0.21) USER MOD Single : A 21 ASN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -172:sc= 0.862 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0.234 (180deg=0.234) USER MOD Single : A 35 GLN :FLIP amide:sc= -0.0235 F(o=-1.3!,f=-0.024) USER MOD Single : A 38 HIS : no HD1:sc= 0.17 K(o=0.17,f=-1.4) USER MOD Single : A 40 GLN : amide:sc= 0.751 K(o=0.75,f=-5.1!) USER MOD Single : A 43 SER OG : rot 180:sc= -1.06 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.147 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.545 K(o=-0.55,f=-1.6) USER MOD Single : A 66 MET CE :methyl -159:sc= -0.142 (180deg=-0.707) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 84:sc= 0.503 USER MOD Single : A 76 GLN :FLIP amide:sc= 0.773 F(o=0,f=0.77) USER MOD Single : A 81 TYR OH : rot 37:sc= 0.295 USER MOD Single : A 82 TYR OH : rot -163:sc= 0.526 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.269 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 145:sc= -0.531 (180deg=-2.12!) USER MOD Single : A 96 LYS NZ :NH3+ -147:sc= -0.294 (180deg=-1.52!) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 84:sc= 0.327 USER MOD Single : A 100 MET CE :methyl -161:sc= -0.212 (180deg=-0.747) USER MOD Single : A 103 MET CE :methyl 169:sc= -0.698 (180deg=-1.14) USER MOD Single : A 104 HIS : no HD1:sc= 0.648 K(o=0.65,f=-2!) USER MOD Single : A 106 THR OG1 : rot 180:sc= -0.0268 USER MOD Single : A 108 ASN :FLIP amide:sc= -0.224 F(o=-1.5!,f=-0.22) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot -95:sc= -0.346 USER MOD Single : A 120 SER OG : rot 39:sc= -0.991! USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot -60:sc= 0.227 USER MOD Single : A 126 THR OG1 : rot -15:sc= 0.465 USER MOD Single : A 131 GLN : amide:sc= 0.299 X(o=0.3,f=0) USER MOD Single : A 136 MET CE :methyl -164:sc= -0.0449 (180deg=-0.348) USER MOD Single : A 140 THR OG1 : rot 180:sc= 0 USER MOD Single : A 142 MET CE :methyl -173:sc= 0 (180deg=-0.0232) USER MOD Single : A 144 SER OG : rot 79:sc= 0.668 USER MOD Single : A 145 THR OG1 : rot 82:sc= 0.905 USER MOD ----------------------------------------------------------------- ATOM 34 N ILE A 3 3.276 -15.874 -3.163 1.00 65.23 N ATOM 35 CA ILE A 3 4.190 -14.715 -3.102 1.00 54.31 C ATOM 36 C ILE A 3 5.611 -15.133 -3.553 1.00 11.44 C ATOM 37 O ILE A 3 6.166 -16.112 -3.037 1.00 43.02 O ATOM 38 CB ILE A 3 4.263 -14.094 -1.644 1.00 2.33 C ATOM 39 CG1 ILE A 3 2.838 -13.775 -1.052 1.00 60.31 C ATOM 40 CG2 ILE A 3 5.150 -12.822 -1.627 1.00 32.32 C ATOM 41 CD1 ILE A 3 2.064 -14.958 -0.476 1.00 12.31 C ATOM 0 HA ILE A 3 3.794 -13.954 -3.775 1.00 54.31 H new ATOM 0 HB ILE A 3 4.717 -14.851 -1.005 1.00 2.33 H new ATOM 0 HG12 ILE A 3 2.953 -13.027 -0.268 1.00 60.31 H new ATOM 0 HG13 ILE A 3 2.235 -13.322 -1.838 1.00 60.31 H new ATOM 0 HG21 ILE A 3 5.184 -12.415 -0.616 1.00 32.32 H new ATOM 0 HG22 ILE A 3 6.159 -13.078 -1.949 1.00 32.32 H new ATOM 0 HG23 ILE A 3 4.731 -12.077 -2.304 1.00 32.32 H new ATOM 0 HD11 ILE A 3 1.101 -14.614 -0.100 1.00 12.31 H new ATOM 0 HD12 ILE A 3 1.904 -15.703 -1.256 1.00 12.31 H new ATOM 0 HD13 ILE A 3 2.634 -15.403 0.340 1.00 12.31 H new ATOM 53 N GLU A 4 6.190 -14.398 -4.519 1.00 65.31 N ATOM 54 CA GLU A 4 7.579 -14.623 -4.993 1.00 3.33 C ATOM 55 C GLU A 4 8.546 -13.637 -4.303 1.00 14.51 C ATOM 56 O GLU A 4 8.239 -12.462 -4.171 1.00 31.33 O ATOM 57 CB GLU A 4 7.653 -14.473 -6.541 1.00 14.54 C ATOM 58 CG GLU A 4 9.055 -14.694 -7.163 1.00 31.30 C ATOM 59 CD GLU A 4 9.647 -16.086 -6.858 1.00 62.12 C ATOM 60 OE1 GLU A 4 9.260 -17.068 -7.528 1.00 44.50 O ATOM 61 OE2 GLU A 4 10.483 -16.213 -5.933 1.00 62.13 O ATOM 0 H GLU A 4 5.715 -13.632 -4.996 1.00 65.31 H new ATOM 0 HA GLU A 4 7.878 -15.638 -4.732 1.00 3.33 H new ATOM 0 HB2 GLU A 4 6.958 -15.182 -6.992 1.00 14.54 H new ATOM 0 HB3 GLU A 4 7.308 -13.474 -6.809 1.00 14.54 H new ATOM 0 HG2 GLU A 4 8.990 -14.564 -8.243 1.00 31.30 H new ATOM 0 HG3 GLU A 4 9.735 -13.928 -6.790 1.00 31.30 H new ATOM 68 N LYS A 5 9.710 -14.130 -3.836 1.00 53.54 N ATOM 69 CA LYS A 5 10.729 -13.296 -3.154 1.00 54.33 C ATOM 70 C LYS A 5 12.083 -13.349 -3.899 1.00 32.11 C ATOM 71 O LYS A 5 12.631 -14.434 -4.123 1.00 23.32 O ATOM 72 CB LYS A 5 10.925 -13.725 -1.665 1.00 65.11 C ATOM 73 CG LYS A 5 9.756 -13.377 -0.700 1.00 1.45 C ATOM 74 CD LYS A 5 8.513 -14.291 -0.827 1.00 75.31 C ATOM 75 CE LYS A 5 8.801 -15.756 -0.459 1.00 32.14 C ATOM 76 NZ LYS A 5 7.591 -16.605 -0.583 1.00 34.12 N ATOM 0 H LYS A 5 9.973 -15.112 -3.918 1.00 53.54 H new ATOM 0 HA LYS A 5 10.360 -12.271 -3.168 1.00 54.33 H new ATOM 0 HB2 LYS A 5 11.087 -14.803 -1.636 1.00 65.11 H new ATOM 0 HB3 LYS A 5 11.834 -13.256 -1.288 1.00 65.11 H new ATOM 0 HG2 LYS A 5 10.123 -13.427 0.325 1.00 1.45 H new ATOM 0 HG3 LYS A 5 9.451 -12.346 -0.879 1.00 1.45 H new ATOM 0 HD2 LYS A 5 7.722 -13.909 -0.182 1.00 75.31 H new ATOM 0 HD3 LYS A 5 8.140 -14.246 -1.850 1.00 75.31 H new ATOM 0 HE2 LYS A 5 9.586 -16.146 -1.107 1.00 32.14 H new ATOM 0 HE3 LYS A 5 9.177 -15.807 0.563 1.00 32.14 H new ATOM 0 HZ1 LYS A 5 7.853 -17.604 -0.459 1.00 34.12 H new ATOM 0 HZ2 LYS A 5 6.901 -16.335 0.147 1.00 34.12 H new ATOM 0 HZ3 LYS A 5 7.169 -16.472 -1.524 1.00 34.12 H new ATOM 90 N LYS A 6 12.613 -12.165 -4.270 1.00 11.02 N ATOM 91 CA LYS A 6 13.964 -12.028 -4.859 1.00 63.11 C ATOM 92 C LYS A 6 14.937 -11.391 -3.826 1.00 31.53 C ATOM 93 O LYS A 6 15.368 -10.243 -3.993 1.00 55.13 O ATOM 94 CB LYS A 6 13.926 -11.185 -6.167 1.00 71.30 C ATOM 95 CG LYS A 6 12.961 -11.686 -7.266 1.00 75.35 C ATOM 96 CD LYS A 6 13.157 -10.930 -8.606 1.00 4.15 C ATOM 97 CE LYS A 6 12.199 -11.402 -9.707 1.00 14.11 C ATOM 98 NZ LYS A 6 12.389 -12.837 -10.041 1.00 41.32 N ATOM 0 H LYS A 6 12.119 -11.278 -4.171 1.00 11.02 H new ATOM 0 HA LYS A 6 14.325 -13.024 -5.116 1.00 63.11 H new ATOM 0 HB2 LYS A 6 13.652 -10.162 -5.909 1.00 71.30 H new ATOM 0 HB3 LYS A 6 14.933 -11.150 -6.583 1.00 71.30 H new ATOM 0 HG2 LYS A 6 13.118 -12.753 -7.426 1.00 75.35 H new ATOM 0 HG3 LYS A 6 11.932 -11.562 -6.928 1.00 75.35 H new ATOM 0 HD2 LYS A 6 13.012 -9.863 -8.439 1.00 4.15 H new ATOM 0 HD3 LYS A 6 14.184 -11.063 -8.945 1.00 4.15 H new ATOM 0 HE2 LYS A 6 11.170 -11.239 -9.385 1.00 14.11 H new ATOM 0 HE3 LYS A 6 12.352 -10.799 -10.602 1.00 14.11 H new ATOM 0 HZ1 LYS A 6 11.794 -13.085 -10.857 1.00 41.32 H new ATOM 0 HZ2 LYS A 6 13.387 -13.010 -10.276 1.00 41.32 H new ATOM 0 HZ3 LYS A 6 12.119 -13.422 -9.225 1.00 41.32 H new ATOM 112 N LYS A 7 15.232 -12.154 -2.745 1.00 60.31 N ATOM 113 CA LYS A 7 16.189 -11.779 -1.654 1.00 61.22 C ATOM 114 C LYS A 7 15.758 -10.492 -0.882 1.00 34.14 C ATOM 115 O LYS A 7 15.300 -10.570 0.268 1.00 3.24 O ATOM 116 CB LYS A 7 17.643 -11.656 -2.207 1.00 13.12 C ATOM 117 CG LYS A 7 18.127 -12.918 -2.962 1.00 64.21 C ATOM 118 CD LYS A 7 19.541 -12.769 -3.560 1.00 14.21 C ATOM 119 CE LYS A 7 19.946 -13.985 -4.419 1.00 63.04 C ATOM 120 NZ LYS A 7 19.933 -15.261 -3.646 1.00 53.52 N ATOM 0 H LYS A 7 14.806 -13.069 -2.596 1.00 60.31 H new ATOM 0 HA LYS A 7 16.168 -12.589 -0.925 1.00 61.22 H new ATOM 0 HB2 LYS A 7 17.696 -10.799 -2.878 1.00 13.12 H new ATOM 0 HB3 LYS A 7 18.322 -11.455 -1.378 1.00 13.12 H new ATOM 0 HG2 LYS A 7 18.117 -13.767 -2.279 1.00 64.21 H new ATOM 0 HG3 LYS A 7 17.424 -13.145 -3.763 1.00 64.21 H new ATOM 0 HD2 LYS A 7 19.582 -11.867 -4.170 1.00 14.21 H new ATOM 0 HD3 LYS A 7 20.262 -12.641 -2.753 1.00 14.21 H new ATOM 0 HE2 LYS A 7 19.265 -14.070 -5.266 1.00 63.04 H new ATOM 0 HE3 LYS A 7 20.943 -13.821 -4.827 1.00 63.04 H new ATOM 0 HZ1 LYS A 7 20.277 -16.036 -4.249 1.00 53.52 H new ATOM 0 HZ2 LYS A 7 20.550 -15.169 -2.814 1.00 53.52 H new ATOM 0 HZ3 LYS A 7 18.962 -15.469 -3.336 1.00 53.52 H new ATOM 134 N ASN A 8 15.925 -9.313 -1.517 1.00 13.24 N ATOM 135 CA ASN A 8 15.464 -8.008 -0.974 1.00 22.52 C ATOM 136 C ASN A 8 14.295 -7.440 -1.825 1.00 34.25 C ATOM 137 O ASN A 8 14.199 -6.242 -2.073 1.00 61.42 O ATOM 138 CB ASN A 8 16.653 -7.024 -0.885 1.00 10.45 C ATOM 139 CG ASN A 8 17.298 -6.703 -2.234 1.00 33.40 C ATOM 140 OD1 ASN A 8 18.161 -7.432 -2.711 1.00 61.33 O ATOM 141 ND2 ASN A 8 16.904 -5.603 -2.844 1.00 11.23 N ATOM 0 H ASN A 8 16.384 -9.234 -2.424 1.00 13.24 H new ATOM 0 HA ASN A 8 15.079 -8.155 0.035 1.00 22.52 H new ATOM 0 HB2 ASN A 8 16.310 -6.096 -0.428 1.00 10.45 H new ATOM 0 HB3 ASN A 8 17.410 -7.444 -0.223 1.00 10.45 H new ATOM 0 HD21 ASN A 8 17.319 -5.339 -3.737 1.00 11.23 H new ATOM 0 HD22 ASN A 8 16.184 -5.016 -2.423 1.00 11.23 H new ATOM 148 N LYS A 9 13.395 -8.337 -2.228 1.00 1.45 N ATOM 149 CA LYS A 9 12.175 -8.000 -2.993 1.00 25.20 C ATOM 150 C LYS A 9 11.045 -8.990 -2.660 1.00 22.32 C ATOM 151 O LYS A 9 11.273 -10.195 -2.603 1.00 5.04 O ATOM 152 CB LYS A 9 12.492 -8.008 -4.519 1.00 14.10 C ATOM 153 CG LYS A 9 11.268 -7.870 -5.460 1.00 61.31 C ATOM 154 CD LYS A 9 11.634 -7.870 -6.969 1.00 65.54 C ATOM 155 CE LYS A 9 12.207 -6.534 -7.484 1.00 4.33 C ATOM 156 NZ LYS A 9 13.501 -6.148 -6.860 1.00 71.10 N ATOM 0 H LYS A 9 13.486 -9.334 -2.034 1.00 1.45 H new ATOM 0 HA LYS A 9 11.840 -7.001 -2.713 1.00 25.20 H new ATOM 0 HB2 LYS A 9 13.184 -7.194 -4.732 1.00 14.10 H new ATOM 0 HB3 LYS A 9 13.009 -8.937 -4.759 1.00 14.10 H new ATOM 0 HG2 LYS A 9 10.576 -8.689 -5.264 1.00 61.31 H new ATOM 0 HG3 LYS A 9 10.742 -6.945 -5.223 1.00 61.31 H new ATOM 0 HD2 LYS A 9 12.362 -8.659 -7.154 1.00 65.54 H new ATOM 0 HD3 LYS A 9 10.743 -8.116 -7.547 1.00 65.54 H new ATOM 0 HE2 LYS A 9 12.342 -6.601 -8.564 1.00 4.33 H new ATOM 0 HE3 LYS A 9 11.478 -5.744 -7.302 1.00 4.33 H new ATOM 0 HZ1 LYS A 9 14.121 -5.725 -7.580 1.00 71.10 H new ATOM 0 HZ2 LYS A 9 13.329 -5.457 -6.102 1.00 71.10 H new ATOM 0 HZ3 LYS A 9 13.959 -6.992 -6.461 1.00 71.10 H new ATOM 170 N ILE A 10 9.839 -8.458 -2.406 1.00 0.32 N ATOM 171 CA ILE A 10 8.619 -9.253 -2.189 1.00 34.45 C ATOM 172 C ILE A 10 7.576 -8.891 -3.273 1.00 51.23 C ATOM 173 O ILE A 10 6.971 -7.812 -3.245 1.00 42.50 O ATOM 174 CB ILE A 10 8.047 -8.997 -0.740 1.00 65.44 C ATOM 175 CG1 ILE A 10 9.107 -9.402 0.333 1.00 43.15 C ATOM 176 CG2 ILE A 10 6.702 -9.735 -0.497 1.00 71.11 C ATOM 177 CD1 ILE A 10 8.735 -9.072 1.762 1.00 64.42 C ATOM 0 H ILE A 10 9.681 -7.452 -2.345 1.00 0.32 H new ATOM 0 HA ILE A 10 8.855 -10.314 -2.268 1.00 34.45 H new ATOM 0 HB ILE A 10 7.839 -7.931 -0.652 1.00 65.44 H new ATOM 0 HG12 ILE A 10 9.284 -10.475 0.259 1.00 43.15 H new ATOM 0 HG13 ILE A 10 10.048 -8.907 0.096 1.00 43.15 H new ATOM 0 HG21 ILE A 10 6.350 -9.527 0.514 1.00 71.11 H new ATOM 0 HG22 ILE A 10 5.961 -9.388 -1.218 1.00 71.11 H new ATOM 0 HG23 ILE A 10 6.849 -10.808 -0.616 1.00 71.11 H new ATOM 0 HD11 ILE A 10 9.535 -9.392 2.429 1.00 64.42 H new ATOM 0 HD12 ILE A 10 8.589 -7.996 1.861 1.00 64.42 H new ATOM 0 HD13 ILE A 10 7.813 -9.589 2.027 1.00 64.42 H new ATOM 189 N ILE A 11 7.420 -9.784 -4.256 1.00 4.21 N ATOM 190 CA ILE A 11 6.366 -9.689 -5.278 1.00 71.20 C ATOM 191 C ILE A 11 5.078 -10.351 -4.734 1.00 42.30 C ATOM 192 O ILE A 11 4.966 -11.584 -4.676 1.00 20.24 O ATOM 193 CB ILE A 11 6.825 -10.385 -6.618 1.00 35.33 C ATOM 194 CG1 ILE A 11 8.156 -9.748 -7.135 1.00 25.13 C ATOM 195 CG2 ILE A 11 5.719 -10.327 -7.705 1.00 71.21 C ATOM 196 CD1 ILE A 11 8.731 -10.391 -8.390 1.00 34.33 C ATOM 0 H ILE A 11 8.024 -10.599 -4.368 1.00 4.21 H new ATOM 0 HA ILE A 11 6.170 -8.640 -5.500 1.00 71.20 H new ATOM 0 HB ILE A 11 7.006 -11.438 -6.402 1.00 35.33 H new ATOM 0 HG12 ILE A 11 7.982 -8.690 -7.334 1.00 25.13 H new ATOM 0 HG13 ILE A 11 8.901 -9.805 -6.341 1.00 25.13 H new ATOM 0 HG21 ILE A 11 6.074 -10.817 -8.612 1.00 71.21 H new ATOM 0 HG22 ILE A 11 4.826 -10.837 -7.343 1.00 71.21 H new ATOM 0 HG23 ILE A 11 5.479 -9.287 -7.925 1.00 71.21 H new ATOM 0 HD11 ILE A 11 9.653 -9.881 -8.671 1.00 34.33 H new ATOM 0 HD12 ILE A 11 8.943 -11.442 -8.196 1.00 34.33 H new ATOM 0 HD13 ILE A 11 8.010 -10.310 -9.203 1.00 34.33 H new ATOM 208 N PHE A 12 4.125 -9.509 -4.332 1.00 70.13 N ATOM 209 CA PHE A 12 2.828 -9.928 -3.774 1.00 62.44 C ATOM 210 C PHE A 12 1.742 -9.798 -4.861 1.00 32.03 C ATOM 211 O PHE A 12 1.725 -8.812 -5.584 1.00 52.44 O ATOM 212 CB PHE A 12 2.476 -9.032 -2.549 1.00 34.44 C ATOM 213 CG PHE A 12 1.401 -9.621 -1.640 1.00 40.12 C ATOM 214 CD1 PHE A 12 1.745 -10.487 -0.602 1.00 44.24 C ATOM 215 CD2 PHE A 12 0.053 -9.328 -1.827 1.00 65.32 C ATOM 216 CE1 PHE A 12 0.777 -11.037 0.210 1.00 54.32 C ATOM 217 CE2 PHE A 12 -0.910 -9.884 -1.015 1.00 42.23 C ATOM 218 CZ PHE A 12 -0.548 -10.737 0.000 1.00 63.14 C ATOM 0 H PHE A 12 4.230 -8.496 -4.384 1.00 70.13 H new ATOM 0 HA PHE A 12 2.883 -10.966 -3.447 1.00 62.44 H new ATOM 0 HB2 PHE A 12 3.380 -8.863 -1.964 1.00 34.44 H new ATOM 0 HB3 PHE A 12 2.141 -8.059 -2.908 1.00 34.44 H new ATOM 0 HD1 PHE A 12 2.784 -10.730 -0.433 1.00 44.24 H new ATOM 0 HD2 PHE A 12 -0.241 -8.656 -2.619 1.00 65.32 H new ATOM 0 HE1 PHE A 12 1.059 -11.704 1.011 1.00 54.32 H new ATOM 0 HE2 PHE A 12 -1.952 -9.649 -1.176 1.00 42.23 H new ATOM 0 HZ PHE A 12 -1.306 -11.173 0.634 1.00 63.14 H new ATOM 228 N THR A 13 0.833 -10.779 -4.971 1.00 30.02 N ATOM 229 CA THR A 13 -0.271 -10.737 -5.967 1.00 23.54 C ATOM 230 C THR A 13 -1.594 -11.279 -5.364 1.00 22.01 C ATOM 231 O THR A 13 -1.667 -12.428 -4.907 1.00 70.01 O ATOM 232 CB THR A 13 0.125 -11.489 -7.289 1.00 42.41 C ATOM 233 OG1 THR A 13 -0.981 -11.510 -8.206 1.00 71.43 O ATOM 234 CG2 THR A 13 0.627 -12.923 -7.041 1.00 12.33 C ATOM 0 H THR A 13 0.833 -11.615 -4.387 1.00 30.02 H new ATOM 0 HA THR A 13 -0.443 -9.694 -6.232 1.00 23.54 H new ATOM 0 HB THR A 13 0.955 -10.931 -7.723 1.00 42.41 H new ATOM 0 HG1 THR A 13 -0.718 -11.980 -9.025 1.00 71.43 H new ATOM 0 HG21 THR A 13 0.884 -13.388 -7.993 1.00 12.33 H new ATOM 0 HG22 THR A 13 1.509 -12.894 -6.401 1.00 12.33 H new ATOM 0 HG23 THR A 13 -0.156 -13.503 -6.553 1.00 12.33 H new ATOM 242 N ARG A 14 -2.637 -10.421 -5.364 1.00 35.43 N ATOM 243 CA ARG A 14 -3.927 -10.674 -4.672 1.00 45.05 C ATOM 244 C ARG A 14 -5.118 -10.311 -5.593 1.00 44.11 C ATOM 245 O ARG A 14 -5.158 -9.216 -6.173 1.00 63.20 O ATOM 246 CB ARG A 14 -3.961 -9.835 -3.364 1.00 2.00 C ATOM 247 CG ARG A 14 -5.246 -9.931 -2.502 1.00 72.24 C ATOM 248 CD ARG A 14 -5.531 -11.346 -1.949 1.00 12.41 C ATOM 249 NE ARG A 14 -6.612 -11.356 -0.937 1.00 72.14 N ATOM 250 CZ ARG A 14 -7.903 -11.174 -1.172 1.00 13.15 C ATOM 251 NH1 ARG A 14 -8.358 -10.950 -2.359 1.00 5.43 N ATOM 252 NH2 ARG A 14 -8.742 -11.229 -0.200 1.00 34.43 N ATOM 0 H ARG A 14 -2.610 -9.524 -5.848 1.00 35.43 H new ATOM 0 HA ARG A 14 -4.014 -11.732 -4.427 1.00 45.05 H new ATOM 0 HB2 ARG A 14 -3.115 -10.136 -2.746 1.00 2.00 H new ATOM 0 HB3 ARG A 14 -3.807 -8.789 -3.628 1.00 2.00 H new ATOM 0 HG2 ARG A 14 -5.163 -9.236 -1.666 1.00 72.24 H new ATOM 0 HG3 ARG A 14 -6.097 -9.609 -3.101 1.00 72.24 H new ATOM 0 HD2 ARG A 14 -5.804 -12.006 -2.773 1.00 12.41 H new ATOM 0 HD3 ARG A 14 -4.620 -11.749 -1.506 1.00 12.41 H new ATOM 0 HE ARG A 14 -6.337 -11.518 0.032 1.00 72.14 H new ATOM 0 HH11 ARG A 14 -7.717 -10.909 -3.151 1.00 5.43 H new ATOM 0 HH12 ARG A 14 -9.358 -10.814 -2.505 1.00 5.43 H new ATOM 0 HH21 ARG A 14 -8.413 -11.412 0.748 1.00 34.43 H new ATOM 0 HH22 ARG A 14 -9.737 -11.089 -0.377 1.00 34.43 H new ATOM 266 N THR A 15 -6.085 -11.239 -5.718 1.00 30.13 N ATOM 267 CA THR A 15 -7.280 -11.059 -6.579 1.00 40.42 C ATOM 268 C THR A 15 -8.477 -10.498 -5.769 1.00 25.04 C ATOM 269 O THR A 15 -9.066 -11.208 -4.953 1.00 24.42 O ATOM 270 CB THR A 15 -7.686 -12.412 -7.259 1.00 3.12 C ATOM 271 OG1 THR A 15 -6.566 -12.949 -7.967 1.00 1.03 O ATOM 272 CG2 THR A 15 -8.859 -12.255 -8.239 1.00 3.54 C ATOM 0 H THR A 15 -6.065 -12.134 -5.229 1.00 30.13 H new ATOM 0 HA THR A 15 -7.019 -10.338 -7.354 1.00 40.42 H new ATOM 0 HB THR A 15 -8.004 -13.084 -6.462 1.00 3.12 H new ATOM 0 HG1 THR A 15 -6.383 -12.398 -8.756 1.00 1.03 H new ATOM 0 HG21 THR A 15 -9.097 -13.223 -8.680 1.00 3.54 H new ATOM 0 HG22 THR A 15 -9.730 -11.875 -7.706 1.00 3.54 H new ATOM 0 HG23 THR A 15 -8.583 -11.555 -9.028 1.00 3.54 H new ATOM 280 N PHE A 16 -8.834 -9.229 -6.029 1.00 25.52 N ATOM 281 CA PHE A 16 -9.944 -8.516 -5.357 1.00 64.22 C ATOM 282 C PHE A 16 -11.252 -8.656 -6.166 1.00 43.01 C ATOM 283 O PHE A 16 -11.249 -8.457 -7.391 1.00 10.44 O ATOM 284 CB PHE A 16 -9.604 -7.003 -5.227 1.00 44.24 C ATOM 285 CG PHE A 16 -8.253 -6.715 -4.579 1.00 64.43 C ATOM 286 CD1 PHE A 16 -8.100 -6.753 -3.194 1.00 24.45 C ATOM 287 CD2 PHE A 16 -7.132 -6.415 -5.360 1.00 45.30 C ATOM 288 CE1 PHE A 16 -6.875 -6.497 -2.615 1.00 21.23 C ATOM 289 CE2 PHE A 16 -5.907 -6.159 -4.776 1.00 34.21 C ATOM 290 CZ PHE A 16 -5.780 -6.199 -3.404 1.00 4.41 C ATOM 0 H PHE A 16 -8.354 -8.656 -6.723 1.00 25.52 H new ATOM 0 HA PHE A 16 -10.078 -8.958 -4.370 1.00 64.22 H new ATOM 0 HB2 PHE A 16 -9.621 -6.553 -6.219 1.00 44.24 H new ATOM 0 HB3 PHE A 16 -10.385 -6.516 -4.643 1.00 44.24 H new ATOM 0 HD1 PHE A 16 -8.949 -6.985 -2.568 1.00 24.45 H new ATOM 0 HD2 PHE A 16 -7.226 -6.383 -6.435 1.00 45.30 H new ATOM 0 HE1 PHE A 16 -6.771 -6.529 -1.541 1.00 21.23 H new ATOM 0 HE2 PHE A 16 -5.051 -5.928 -5.393 1.00 34.21 H new ATOM 0 HZ PHE A 16 -4.823 -5.997 -2.945 1.00 4.41 H new ATOM 300 N SER A 17 -12.366 -8.998 -5.491 1.00 41.11 N ATOM 301 CA SER A 17 -13.702 -8.971 -6.123 1.00 74.30 C ATOM 302 C SER A 17 -14.210 -7.506 -6.186 1.00 75.01 C ATOM 303 O SER A 17 -14.873 -7.014 -5.264 1.00 3.51 O ATOM 304 CB SER A 17 -14.683 -9.889 -5.337 1.00 74.23 C ATOM 305 OG SER A 17 -14.750 -9.539 -3.956 1.00 50.10 O ATOM 0 H SER A 17 -12.370 -9.294 -4.515 1.00 41.11 H new ATOM 0 HA SER A 17 -13.641 -9.355 -7.141 1.00 74.30 H new ATOM 0 HB2 SER A 17 -15.677 -9.819 -5.778 1.00 74.23 H new ATOM 0 HB3 SER A 17 -14.364 -10.927 -5.433 1.00 74.23 H new ATOM 0 HG SER A 17 -14.889 -8.573 -3.870 1.00 50.10 H new ATOM 311 N ALA A 18 -13.895 -6.835 -7.314 1.00 30.23 N ATOM 312 CA ALA A 18 -14.139 -5.387 -7.527 1.00 65.11 C ATOM 313 C ALA A 18 -13.593 -4.940 -8.907 1.00 4.24 C ATOM 314 O ALA A 18 -12.656 -5.559 -9.419 1.00 3.44 O ATOM 315 CB ALA A 18 -13.477 -4.527 -6.417 1.00 21.14 C ATOM 0 H ALA A 18 -13.457 -7.288 -8.116 1.00 30.23 H new ATOM 0 HA ALA A 18 -15.218 -5.234 -7.491 1.00 65.11 H new ATOM 0 HB1 ALA A 18 -13.677 -3.472 -6.606 1.00 21.14 H new ATOM 0 HB2 ALA A 18 -13.888 -4.806 -5.447 1.00 21.14 H new ATOM 0 HB3 ALA A 18 -12.401 -4.698 -6.418 1.00 21.14 H new ATOM 321 N PRO A 19 -14.177 -3.867 -9.535 1.00 22.32 N ATOM 322 CA PRO A 19 -13.582 -3.196 -10.735 1.00 14.22 C ATOM 323 C PRO A 19 -12.271 -2.411 -10.402 1.00 71.13 C ATOM 324 O PRO A 19 -12.128 -1.862 -9.305 1.00 71.22 O ATOM 325 CB PRO A 19 -14.716 -2.237 -11.181 1.00 72.14 C ATOM 326 CG PRO A 19 -15.453 -1.941 -9.914 1.00 72.44 C ATOM 327 CD PRO A 19 -15.489 -3.256 -9.174 1.00 62.30 C ATOM 0 HA PRO A 19 -13.275 -3.907 -11.503 1.00 14.22 H new ATOM 0 HB2 PRO A 19 -14.317 -1.329 -11.633 1.00 72.14 H new ATOM 0 HB3 PRO A 19 -15.366 -2.703 -11.922 1.00 72.14 H new ATOM 0 HG2 PRO A 19 -14.945 -1.173 -9.331 1.00 72.44 H new ATOM 0 HG3 PRO A 19 -16.459 -1.574 -10.118 1.00 72.44 H new ATOM 0 HD2 PRO A 19 -15.588 -3.113 -8.098 1.00 62.30 H new ATOM 0 HD3 PRO A 19 -16.327 -3.877 -9.491 1.00 62.30 H new ATOM 335 N ILE A 20 -11.352 -2.319 -11.383 1.00 31.40 N ATOM 336 CA ILE A 20 -9.960 -1.839 -11.160 1.00 45.21 C ATOM 337 C ILE A 20 -9.868 -0.321 -10.841 1.00 51.12 C ATOM 338 O ILE A 20 -8.914 0.122 -10.196 1.00 72.32 O ATOM 339 CB ILE A 20 -9.033 -2.204 -12.384 1.00 43.53 C ATOM 340 CG1 ILE A 20 -7.521 -1.973 -12.039 1.00 25.42 C ATOM 341 CG2 ILE A 20 -9.459 -1.437 -13.661 1.00 33.41 C ATOM 342 CD1 ILE A 20 -6.537 -2.360 -13.130 1.00 34.51 C ATOM 0 H ILE A 20 -11.546 -2.573 -12.352 1.00 31.40 H new ATOM 0 HA ILE A 20 -9.605 -2.361 -10.272 1.00 45.21 H new ATOM 0 HB ILE A 20 -9.157 -3.267 -12.592 1.00 43.53 H new ATOM 0 HG12 ILE A 20 -7.377 -0.919 -11.801 1.00 25.42 H new ATOM 0 HG13 ILE A 20 -7.281 -2.539 -11.139 1.00 25.42 H new ATOM 0 HG21 ILE A 20 -8.801 -1.710 -14.486 1.00 33.41 H new ATOM 0 HG22 ILE A 20 -10.487 -1.696 -13.915 1.00 33.41 H new ATOM 0 HG23 ILE A 20 -9.389 -0.364 -13.481 1.00 33.41 H new ATOM 0 HD11 ILE A 20 -5.521 -2.161 -12.791 1.00 34.51 H new ATOM 0 HD12 ILE A 20 -6.643 -3.421 -13.356 1.00 34.51 H new ATOM 0 HD13 ILE A 20 -6.741 -1.776 -14.028 1.00 34.51 H new ATOM 354 N ASN A 21 -10.874 0.461 -11.274 1.00 20.44 N ATOM 355 CA ASN A 21 -10.908 1.924 -11.032 1.00 1.23 C ATOM 356 C ASN A 21 -10.999 2.246 -9.520 1.00 73.22 C ATOM 357 O ASN A 21 -10.246 3.084 -9.029 1.00 71.12 O ATOM 358 CB ASN A 21 -12.062 2.601 -11.817 1.00 23.12 C ATOM 359 CG ASN A 21 -11.832 2.649 -13.329 1.00 5.41 C ATOM 360 OD1 ASN A 21 -11.218 1.763 -13.917 1.00 62.21 O ATOM 361 ND2 ASN A 21 -12.314 3.694 -13.977 1.00 71.03 N ATOM 0 H ASN A 21 -11.677 0.108 -11.794 1.00 20.44 H new ATOM 0 HA ASN A 21 -9.969 2.336 -11.402 1.00 1.23 H new ATOM 0 HB2 ASN A 21 -12.990 2.065 -11.616 1.00 23.12 H new ATOM 0 HB3 ASN A 21 -12.195 3.617 -11.446 1.00 23.12 H new ATOM 0 HD21 ASN A 21 -12.179 3.776 -14.985 1.00 71.03 H new ATOM 0 HD22 ASN A 21 -12.821 4.419 -13.470 1.00 71.03 H new ATOM 368 N LYS A 22 -11.891 1.546 -8.782 1.00 1.35 N ATOM 369 CA LYS A 22 -12.026 1.749 -7.314 1.00 34.41 C ATOM 370 C LYS A 22 -10.830 1.127 -6.546 1.00 41.31 C ATOM 371 O LYS A 22 -10.437 1.635 -5.487 1.00 21.12 O ATOM 372 CB LYS A 22 -13.386 1.221 -6.761 1.00 64.01 C ATOM 373 CG LYS A 22 -13.715 -0.254 -7.070 1.00 65.14 C ATOM 374 CD LYS A 22 -14.880 -0.832 -6.210 1.00 22.44 C ATOM 375 CE LYS A 22 -16.292 -0.337 -6.611 1.00 51.30 C ATOM 376 NZ LYS A 22 -16.532 1.102 -6.331 1.00 24.10 N ATOM 0 H LYS A 22 -12.522 0.844 -9.169 1.00 1.35 H new ATOM 0 HA LYS A 22 -12.014 2.826 -7.145 1.00 34.41 H new ATOM 0 HB2 LYS A 22 -13.392 1.355 -5.679 1.00 64.01 H new ATOM 0 HB3 LYS A 22 -14.185 1.843 -7.164 1.00 64.01 H new ATOM 0 HG2 LYS A 22 -13.974 -0.345 -8.125 1.00 65.14 H new ATOM 0 HG3 LYS A 22 -12.822 -0.858 -6.908 1.00 65.14 H new ATOM 0 HD2 LYS A 22 -14.859 -1.920 -6.279 1.00 22.44 H new ATOM 0 HD3 LYS A 22 -14.704 -0.575 -5.165 1.00 22.44 H new ATOM 0 HE2 LYS A 22 -16.440 -0.519 -7.675 1.00 51.30 H new ATOM 0 HE3 LYS A 22 -17.037 -0.929 -6.080 1.00 51.30 H new ATOM 0 HZ1 LYS A 22 -17.410 1.207 -5.784 1.00 24.10 H new ATOM 0 HZ2 LYS A 22 -15.735 1.487 -5.784 1.00 24.10 H new ATOM 0 HZ3 LYS A 22 -16.619 1.621 -7.228 1.00 24.10 H new ATOM 390 N VAL A 23 -10.256 0.039 -7.105 1.00 63.53 N ATOM 391 CA VAL A 23 -9.020 -0.599 -6.573 1.00 53.54 C ATOM 392 C VAL A 23 -7.830 0.399 -6.614 1.00 60.03 C ATOM 393 O VAL A 23 -7.025 0.478 -5.679 1.00 3.55 O ATOM 394 CB VAL A 23 -8.661 -1.911 -7.383 1.00 12.40 C ATOM 395 CG1 VAL A 23 -7.360 -2.569 -6.857 1.00 3.42 C ATOM 396 CG2 VAL A 23 -9.828 -2.929 -7.344 1.00 1.53 C ATOM 0 H VAL A 23 -10.630 -0.424 -7.934 1.00 63.53 H new ATOM 0 HA VAL A 23 -9.208 -0.879 -5.537 1.00 53.54 H new ATOM 0 HB VAL A 23 -8.495 -1.612 -8.418 1.00 12.40 H new ATOM 0 HG11 VAL A 23 -7.146 -3.467 -7.437 1.00 3.42 H new ATOM 0 HG12 VAL A 23 -6.532 -1.867 -6.955 1.00 3.42 H new ATOM 0 HG13 VAL A 23 -7.486 -2.837 -5.808 1.00 3.42 H new ATOM 0 HG21 VAL A 23 -9.553 -3.820 -7.909 1.00 1.53 H new ATOM 0 HG22 VAL A 23 -10.036 -3.205 -6.310 1.00 1.53 H new ATOM 0 HG23 VAL A 23 -10.717 -2.480 -7.786 1.00 1.53 H new ATOM 406 N PHE A 24 -7.769 1.167 -7.710 1.00 64.55 N ATOM 407 CA PHE A 24 -6.781 2.252 -7.912 1.00 12.22 C ATOM 408 C PHE A 24 -6.967 3.379 -6.877 1.00 22.31 C ATOM 409 O PHE A 24 -6.006 3.821 -6.247 1.00 32.00 O ATOM 410 CB PHE A 24 -6.949 2.814 -9.340 1.00 45.35 C ATOM 411 CG PHE A 24 -6.039 3.992 -9.707 1.00 42.15 C ATOM 412 CD1 PHE A 24 -4.653 3.832 -9.773 1.00 61.34 C ATOM 413 CD2 PHE A 24 -6.570 5.248 -10.015 1.00 32.20 C ATOM 414 CE1 PHE A 24 -3.833 4.887 -10.132 1.00 13.43 C ATOM 415 CE2 PHE A 24 -5.749 6.297 -10.378 1.00 42.34 C ATOM 416 CZ PHE A 24 -4.380 6.117 -10.437 1.00 20.02 C ATOM 0 H PHE A 24 -8.410 1.056 -8.496 1.00 64.55 H new ATOM 0 HA PHE A 24 -5.778 1.846 -7.781 1.00 12.22 H new ATOM 0 HB2 PHE A 24 -6.771 2.007 -10.051 1.00 45.35 H new ATOM 0 HB3 PHE A 24 -7.985 3.127 -9.467 1.00 45.35 H new ATOM 0 HD1 PHE A 24 -4.216 2.872 -9.541 1.00 61.34 H new ATOM 0 HD2 PHE A 24 -7.638 5.400 -9.968 1.00 32.20 H new ATOM 0 HE1 PHE A 24 -2.763 4.748 -10.174 1.00 13.43 H new ATOM 0 HE2 PHE A 24 -6.177 7.259 -10.616 1.00 42.34 H new ATOM 0 HZ PHE A 24 -3.739 6.938 -10.722 1.00 20.02 H new ATOM 426 N ASP A 25 -8.227 3.820 -6.711 1.00 71.10 N ATOM 427 CA ASP A 25 -8.594 4.921 -5.788 1.00 52.32 C ATOM 428 C ASP A 25 -8.285 4.597 -4.305 1.00 45.13 C ATOM 429 O ASP A 25 -8.274 5.489 -3.462 1.00 54.52 O ATOM 430 CB ASP A 25 -10.095 5.266 -5.956 1.00 35.30 C ATOM 431 CG ASP A 25 -10.490 5.684 -7.383 1.00 10.52 C ATOM 432 OD1 ASP A 25 -9.651 6.247 -8.121 1.00 44.31 O ATOM 433 OD2 ASP A 25 -11.653 5.460 -7.776 1.00 13.44 O ATOM 0 H ASP A 25 -9.024 3.426 -7.211 1.00 71.10 H new ATOM 0 HA ASP A 25 -7.979 5.780 -6.055 1.00 52.32 H new ATOM 0 HB2 ASP A 25 -10.690 4.400 -5.665 1.00 35.30 H new ATOM 0 HB3 ASP A 25 -10.350 6.073 -5.269 1.00 35.30 H new ATOM 438 N ALA A 26 -8.074 3.313 -3.997 1.00 31.33 N ATOM 439 CA ALA A 26 -7.662 2.852 -2.653 1.00 62.41 C ATOM 440 C ALA A 26 -6.196 3.223 -2.324 1.00 23.54 C ATOM 441 O ALA A 26 -5.835 3.423 -1.162 1.00 22.04 O ATOM 442 CB ALA A 26 -7.871 1.346 -2.568 1.00 3.42 C ATOM 0 H ALA A 26 -8.183 2.555 -4.671 1.00 31.33 H new ATOM 0 HA ALA A 26 -8.278 3.359 -1.911 1.00 62.41 H new ATOM 0 HB1 ALA A 26 -7.571 0.992 -1.582 1.00 3.42 H new ATOM 0 HB2 ALA A 26 -8.924 1.115 -2.732 1.00 3.42 H new ATOM 0 HB3 ALA A 26 -7.268 0.851 -3.330 1.00 3.42 H new ATOM 448 N TYR A 27 -5.367 3.305 -3.372 1.00 15.04 N ATOM 449 CA TYR A 27 -3.934 3.658 -3.269 1.00 1.02 C ATOM 450 C TYR A 27 -3.705 5.149 -3.582 1.00 55.41 C ATOM 451 O TYR A 27 -2.714 5.748 -3.151 1.00 34.54 O ATOM 452 CB TYR A 27 -3.132 2.793 -4.278 1.00 63.15 C ATOM 453 CG TYR A 27 -3.204 1.279 -3.986 1.00 61.34 C ATOM 454 CD1 TYR A 27 -2.580 0.729 -2.861 1.00 3.22 C ATOM 455 CD2 TYR A 27 -3.915 0.406 -4.822 1.00 31.32 C ATOM 456 CE1 TYR A 27 -2.657 -0.625 -2.587 1.00 32.44 C ATOM 457 CE2 TYR A 27 -3.993 -0.949 -4.547 1.00 25.25 C ATOM 458 CZ TYR A 27 -3.362 -1.458 -3.431 1.00 0.23 C ATOM 459 OH TYR A 27 -3.434 -2.809 -3.157 1.00 23.21 O ATOM 0 H TYR A 27 -5.670 3.127 -4.330 1.00 15.04 H new ATOM 0 HA TYR A 27 -3.599 3.468 -2.249 1.00 1.02 H new ATOM 0 HB2 TYR A 27 -3.509 2.979 -5.284 1.00 63.15 H new ATOM 0 HB3 TYR A 27 -2.089 3.108 -4.265 1.00 63.15 H new ATOM 0 HD1 TYR A 27 -2.028 1.374 -2.194 1.00 3.22 H new ATOM 0 HD2 TYR A 27 -4.411 0.798 -5.697 1.00 31.32 H new ATOM 0 HE1 TYR A 27 -2.166 -1.029 -1.714 1.00 32.44 H new ATOM 0 HE2 TYR A 27 -4.546 -1.605 -5.204 1.00 25.25 H new ATOM 0 HH TYR A 27 -3.968 -3.255 -3.847 1.00 23.21 H new ATOM 469 N THR A 28 -4.642 5.728 -4.343 1.00 33.12 N ATOM 470 CA THR A 28 -4.470 7.046 -4.983 1.00 73.42 C ATOM 471 C THR A 28 -5.335 8.150 -4.321 1.00 2.22 C ATOM 472 O THR A 28 -5.018 9.342 -4.412 1.00 23.35 O ATOM 473 CB THR A 28 -4.800 6.912 -6.506 1.00 15.35 C ATOM 474 OG1 THR A 28 -4.070 5.798 -7.048 1.00 42.30 O ATOM 475 CG2 THR A 28 -4.430 8.157 -7.311 1.00 64.34 C ATOM 0 H THR A 28 -5.546 5.297 -4.535 1.00 33.12 H new ATOM 0 HA THR A 28 -3.434 7.359 -4.851 1.00 73.42 H new ATOM 0 HB THR A 28 -5.878 6.771 -6.585 1.00 15.35 H new ATOM 0 HG1 THR A 28 -4.173 5.782 -8.022 1.00 42.30 H new ATOM 0 HG21 THR A 28 -4.684 8.001 -8.360 1.00 64.34 H new ATOM 0 HG22 THR A 28 -4.982 9.015 -6.928 1.00 64.34 H new ATOM 0 HG23 THR A 28 -3.360 8.344 -7.220 1.00 64.34 H new ATOM 483 N LYS A 29 -6.435 7.744 -3.656 1.00 44.02 N ATOM 484 CA LYS A 29 -7.326 8.664 -2.886 1.00 0.31 C ATOM 485 C LYS A 29 -7.400 8.180 -1.414 1.00 34.42 C ATOM 486 O LYS A 29 -7.562 6.977 -1.158 1.00 11.14 O ATOM 487 CB LYS A 29 -8.773 8.732 -3.491 1.00 34.43 C ATOM 488 CG LYS A 29 -8.928 9.456 -4.864 1.00 43.31 C ATOM 489 CD LYS A 29 -8.261 8.711 -6.046 1.00 73.23 C ATOM 490 CE LYS A 29 -8.561 9.332 -7.417 1.00 24.35 C ATOM 491 NZ LYS A 29 -9.995 9.209 -7.780 1.00 4.03 N ATOM 0 H LYS A 29 -6.739 6.771 -3.632 1.00 44.02 H new ATOM 0 HA LYS A 29 -6.903 9.667 -2.941 1.00 0.31 H new ATOM 0 HB2 LYS A 29 -9.144 7.713 -3.601 1.00 34.43 H new ATOM 0 HB3 LYS A 29 -9.420 9.230 -2.769 1.00 34.43 H new ATOM 0 HG2 LYS A 29 -9.989 9.582 -5.079 1.00 43.31 H new ATOM 0 HG3 LYS A 29 -8.498 10.454 -4.788 1.00 43.31 H new ATOM 0 HD2 LYS A 29 -7.182 8.697 -5.892 1.00 73.23 H new ATOM 0 HD3 LYS A 29 -8.597 7.674 -6.046 1.00 73.23 H new ATOM 0 HE2 LYS A 29 -8.278 10.385 -7.408 1.00 24.35 H new ATOM 0 HE3 LYS A 29 -7.951 8.844 -8.177 1.00 24.35 H new ATOM 0 HZ1 LYS A 29 -10.155 9.641 -8.713 1.00 4.03 H new ATOM 0 HZ2 LYS A 29 -10.260 8.204 -7.814 1.00 4.03 H new ATOM 0 HZ3 LYS A 29 -10.576 9.696 -7.068 1.00 4.03 H new ATOM 505 N ARG A 30 -7.304 9.111 -0.438 1.00 50.03 N ATOM 506 CA ARG A 30 -7.280 8.741 1.003 1.00 62.43 C ATOM 507 C ARG A 30 -8.633 8.235 1.513 1.00 41.24 C ATOM 508 O ARG A 30 -8.671 7.463 2.471 1.00 64.54 O ATOM 509 CB ARG A 30 -6.751 9.901 1.906 1.00 23.30 C ATOM 510 CG ARG A 30 -7.595 11.210 1.965 1.00 72.44 C ATOM 511 CD ARG A 30 -8.797 11.161 2.932 1.00 31.33 C ATOM 512 NE ARG A 30 -9.602 12.397 2.888 1.00 1.11 N ATOM 513 CZ ARG A 30 -10.633 12.664 3.664 1.00 35.11 C ATOM 514 NH1 ARG A 30 -11.015 11.849 4.596 1.00 21.14 N ATOM 515 NH2 ARG A 30 -11.265 13.782 3.515 1.00 61.22 N ATOM 0 H ARG A 30 -7.242 10.114 -0.614 1.00 50.03 H new ATOM 0 HA ARG A 30 -6.576 7.912 1.075 1.00 62.43 H new ATOM 0 HB2 ARG A 30 -6.653 9.518 2.922 1.00 23.30 H new ATOM 0 HB3 ARG A 30 -5.749 10.162 1.565 1.00 23.30 H new ATOM 0 HG2 ARG A 30 -6.943 12.033 2.259 1.00 72.44 H new ATOM 0 HG3 ARG A 30 -7.961 11.435 0.963 1.00 72.44 H new ATOM 0 HD2 ARG A 30 -9.429 10.309 2.680 1.00 31.33 H new ATOM 0 HD3 ARG A 30 -8.437 11.001 3.948 1.00 31.33 H new ATOM 0 HE ARG A 30 -9.339 13.103 2.200 1.00 1.11 H new ATOM 0 HH11 ARG A 30 -10.514 10.973 4.745 1.00 21.14 H new ATOM 0 HH12 ARG A 30 -11.817 12.083 5.181 1.00 21.14 H new ATOM 0 HH21 ARG A 30 -10.964 14.447 2.802 1.00 61.22 H new ATOM 0 HH22 ARG A 30 -12.064 13.999 4.110 1.00 61.22 H new ATOM 529 N GLU A 31 -9.729 8.690 0.863 1.00 23.13 N ATOM 530 CA GLU A 31 -11.125 8.355 1.248 1.00 23.30 C ATOM 531 C GLU A 31 -11.327 6.836 1.450 1.00 11.23 C ATOM 532 O GLU A 31 -12.157 6.413 2.253 1.00 74.14 O ATOM 533 CB GLU A 31 -12.115 8.884 0.174 1.00 52.23 C ATOM 534 CG GLU A 31 -11.924 8.262 -1.227 1.00 13.23 C ATOM 535 CD GLU A 31 -12.989 8.702 -2.239 1.00 24.33 C ATOM 536 OE1 GLU A 31 -14.145 8.227 -2.136 1.00 21.25 O ATOM 537 OE2 GLU A 31 -12.684 9.520 -3.131 1.00 73.41 O ATOM 0 H GLU A 31 -9.672 9.304 0.051 1.00 23.13 H new ATOM 0 HA GLU A 31 -11.325 8.841 2.203 1.00 23.30 H new ATOM 0 HB2 GLU A 31 -13.134 8.690 0.509 1.00 52.23 H new ATOM 0 HB3 GLU A 31 -12.005 9.966 0.097 1.00 52.23 H new ATOM 0 HG2 GLU A 31 -10.939 8.534 -1.606 1.00 13.23 H new ATOM 0 HG3 GLU A 31 -11.943 7.176 -1.140 1.00 13.23 H new ATOM 544 N LEU A 32 -10.525 6.040 0.726 1.00 10.45 N ATOM 545 CA LEU A 32 -10.515 4.579 0.826 1.00 44.10 C ATOM 546 C LEU A 32 -9.269 4.088 1.606 1.00 41.33 C ATOM 547 O LEU A 32 -9.365 3.126 2.367 1.00 61.32 O ATOM 548 CB LEU A 32 -10.541 3.973 -0.593 1.00 4.02 C ATOM 549 CG LEU A 32 -11.729 4.417 -1.502 1.00 44.03 C ATOM 550 CD1 LEU A 32 -11.572 3.843 -2.913 1.00 54.33 C ATOM 551 CD2 LEU A 32 -13.100 4.044 -0.888 1.00 13.13 C ATOM 0 H LEU A 32 -9.857 6.402 0.046 1.00 10.45 H new ATOM 0 HA LEU A 32 -11.399 4.253 1.375 1.00 44.10 H new ATOM 0 HB2 LEU A 32 -9.609 4.232 -1.095 1.00 4.02 H new ATOM 0 HB3 LEU A 32 -10.564 2.887 -0.503 1.00 4.02 H new ATOM 0 HG LEU A 32 -11.703 5.504 -1.572 1.00 44.03 H new ATOM 0 HD11 LEU A 32 -12.410 4.164 -3.532 1.00 54.33 H new ATOM 0 HD12 LEU A 32 -10.640 4.202 -3.350 1.00 54.33 H new ATOM 0 HD13 LEU A 32 -11.554 2.754 -2.863 1.00 54.33 H new ATOM 0 HD21 LEU A 32 -13.898 4.372 -1.554 1.00 13.13 H new ATOM 0 HD22 LEU A 32 -13.158 2.964 -0.756 1.00 13.13 H new ATOM 0 HD23 LEU A 32 -13.211 4.534 0.079 1.00 13.13 H new ATOM 563 N PHE A 33 -8.112 4.777 1.420 1.00 61.42 N ATOM 564 CA PHE A 33 -6.806 4.385 2.024 1.00 75.01 C ATOM 565 C PHE A 33 -6.885 4.211 3.567 1.00 73.12 C ATOM 566 O PHE A 33 -6.518 3.159 4.101 1.00 60.41 O ATOM 567 CB PHE A 33 -5.714 5.415 1.650 1.00 53.23 C ATOM 568 CG PHE A 33 -4.297 5.029 2.093 1.00 3.33 C ATOM 569 CD1 PHE A 33 -3.541 4.122 1.347 1.00 2.44 C ATOM 570 CD2 PHE A 33 -3.721 5.574 3.247 1.00 71.31 C ATOM 571 CE1 PHE A 33 -2.261 3.773 1.739 1.00 53.13 C ATOM 572 CE2 PHE A 33 -2.440 5.221 3.635 1.00 73.23 C ATOM 573 CZ PHE A 33 -1.712 4.322 2.880 1.00 53.32 C ATOM 0 H PHE A 33 -8.056 5.620 0.848 1.00 61.42 H new ATOM 0 HA PHE A 33 -6.543 3.411 1.612 1.00 75.01 H new ATOM 0 HB2 PHE A 33 -5.718 5.553 0.569 1.00 53.23 H new ATOM 0 HB3 PHE A 33 -5.971 6.376 2.095 1.00 53.23 H new ATOM 0 HD1 PHE A 33 -3.961 3.687 0.452 1.00 2.44 H new ATOM 0 HD2 PHE A 33 -4.283 6.279 3.842 1.00 71.31 H new ATOM 0 HE1 PHE A 33 -1.690 3.070 1.151 1.00 53.13 H new ATOM 0 HE2 PHE A 33 -2.010 5.649 4.528 1.00 73.23 H new ATOM 0 HZ PHE A 33 -0.712 4.048 3.183 1.00 53.32 H new ATOM 583 N GLU A 34 -7.387 5.244 4.264 1.00 14.12 N ATOM 584 CA GLU A 34 -7.545 5.218 5.747 1.00 3.32 C ATOM 585 C GLU A 34 -8.710 4.298 6.232 1.00 54.23 C ATOM 586 O GLU A 34 -8.952 4.192 7.440 1.00 62.12 O ATOM 587 CB GLU A 34 -7.688 6.666 6.319 1.00 53.31 C ATOM 588 CG GLU A 34 -8.697 7.570 5.569 1.00 14.42 C ATOM 589 CD GLU A 34 -8.930 8.960 6.198 1.00 23.30 C ATOM 590 OE1 GLU A 34 -7.998 9.528 6.808 1.00 20.24 O ATOM 591 OE2 GLU A 34 -10.056 9.490 6.068 1.00 42.02 O ATOM 0 H GLU A 34 -7.694 6.115 3.832 1.00 14.12 H new ATOM 0 HA GLU A 34 -6.631 4.775 6.144 1.00 3.32 H new ATOM 0 HB2 GLU A 34 -7.990 6.599 7.364 1.00 53.31 H new ATOM 0 HB3 GLU A 34 -6.710 7.146 6.300 1.00 53.31 H new ATOM 0 HG2 GLU A 34 -8.347 7.706 4.546 1.00 14.42 H new ATOM 0 HG3 GLU A 34 -9.653 7.050 5.512 1.00 14.42 H new ATOM 598 N GLN A 35 -9.424 3.635 5.295 1.00 25.33 N ATOM 599 CA GLN A 35 -10.437 2.597 5.634 1.00 53.33 C ATOM 600 C GLN A 35 -9.822 1.173 5.685 1.00 10.40 C ATOM 601 O GLN A 35 -10.288 0.329 6.459 1.00 2.31 O ATOM 602 CB GLN A 35 -11.634 2.624 4.629 1.00 42.05 C ATOM 603 CG GLN A 35 -12.490 3.910 4.704 1.00 60.13 C ATOM 604 CD GLN A 35 -13.788 3.829 3.890 1.00 54.53 C ATOM 605 OE1 GLN A 35 -13.740 4.193 2.623 1.00 23.35 O flip ATOM 606 NE2 GLN A 35 -14.824 3.418 4.392 1.00 14.20 N flip ATOM 0 H GLN A 35 -9.320 3.798 4.293 1.00 25.33 H new ATOM 0 HA GLN A 35 -10.807 2.839 6.630 1.00 53.33 H new ATOM 0 HB2 GLN A 35 -11.247 2.516 3.616 1.00 42.05 H new ATOM 0 HB3 GLN A 35 -12.274 1.762 4.819 1.00 42.05 H new ATOM 0 HG2 GLN A 35 -12.736 4.113 5.746 1.00 60.13 H new ATOM 0 HG3 GLN A 35 -11.898 4.752 4.346 1.00 60.13 H new ATOM 0 HE21 GLN A 35 -14.840 3.141 5.374 1.00 14.20 H new ATOM 0 HE22 GLN A 35 -15.672 3.352 3.829 1.00 14.20 H new ATOM 615 N TRP A 36 -8.780 0.896 4.864 1.00 41.14 N ATOM 616 CA TRP A 36 -8.179 -0.471 4.772 1.00 63.21 C ATOM 617 C TRP A 36 -6.786 -0.564 5.450 1.00 31.34 C ATOM 618 O TRP A 36 -6.512 -1.528 6.178 1.00 75.33 O ATOM 619 CB TRP A 36 -8.105 -0.949 3.288 1.00 43.35 C ATOM 620 CG TRP A 36 -7.103 -0.232 2.393 1.00 73.31 C ATOM 621 CD1 TRP A 36 -7.295 0.916 1.689 1.00 20.14 C ATOM 622 CD2 TRP A 36 -5.760 -0.649 2.091 1.00 3.42 C ATOM 623 NE1 TRP A 36 -6.158 1.255 1.004 1.00 33.23 N ATOM 624 CE2 TRP A 36 -5.204 0.313 1.235 1.00 10.23 C ATOM 625 CE3 TRP A 36 -4.979 -1.736 2.481 1.00 42.10 C ATOM 626 CZ2 TRP A 36 -3.900 0.222 0.763 1.00 50.01 C ATOM 627 CZ3 TRP A 36 -3.685 -1.829 2.013 1.00 21.43 C ATOM 628 CH2 TRP A 36 -3.157 -0.855 1.163 1.00 65.05 C ATOM 0 H TRP A 36 -8.337 1.588 4.259 1.00 41.14 H new ATOM 0 HA TRP A 36 -8.841 -1.138 5.323 1.00 63.21 H new ATOM 0 HB2 TRP A 36 -7.867 -2.013 3.284 1.00 43.35 H new ATOM 0 HB3 TRP A 36 -9.095 -0.842 2.845 1.00 43.35 H new ATOM 0 HD1 TRP A 36 -8.215 1.481 1.672 1.00 20.14 H new ATOM 0 HE1 TRP A 36 -6.045 2.081 0.416 1.00 33.23 H new ATOM 0 HE3 TRP A 36 -5.381 -2.493 3.139 1.00 42.10 H new ATOM 0 HZ2 TRP A 36 -3.489 0.973 0.105 1.00 50.01 H new ATOM 0 HZ3 TRP A 36 -3.071 -2.667 2.308 1.00 21.43 H new ATOM 0 HH2 TRP A 36 -2.140 -0.954 0.814 1.00 65.05 H new ATOM 639 N PHE A 37 -5.915 0.441 5.207 1.00 4.11 N ATOM 640 CA PHE A 37 -4.493 0.410 5.635 1.00 73.50 C ATOM 641 C PHE A 37 -4.352 0.676 7.163 1.00 52.34 C ATOM 642 O PHE A 37 -4.124 1.806 7.589 1.00 43.31 O ATOM 643 CB PHE A 37 -3.668 1.437 4.798 1.00 30.24 C ATOM 644 CG PHE A 37 -2.150 1.346 5.001 1.00 12.31 C ATOM 645 CD1 PHE A 37 -1.389 0.430 4.271 1.00 1.42 C ATOM 646 CD2 PHE A 37 -1.484 2.163 5.919 1.00 32.53 C ATOM 647 CE1 PHE A 37 -0.021 0.336 4.454 1.00 62.32 C ATOM 648 CE2 PHE A 37 -0.117 2.067 6.099 1.00 21.04 C ATOM 649 CZ PHE A 37 0.614 1.156 5.367 1.00 53.31 C ATOM 0 H PHE A 37 -6.174 1.294 4.711 1.00 4.11 H new ATOM 0 HA PHE A 37 -4.096 -0.588 5.451 1.00 73.50 H new ATOM 0 HB2 PHE A 37 -3.891 1.288 3.741 1.00 30.24 H new ATOM 0 HB3 PHE A 37 -3.997 2.444 5.054 1.00 30.24 H new ATOM 0 HD1 PHE A 37 -1.876 -0.214 3.553 1.00 1.42 H new ATOM 0 HD2 PHE A 37 -2.047 2.881 6.497 1.00 32.53 H new ATOM 0 HE1 PHE A 37 0.552 -0.379 3.882 1.00 62.32 H new ATOM 0 HE2 PHE A 37 0.379 2.707 6.814 1.00 21.04 H new ATOM 0 HZ PHE A 37 1.682 1.083 5.507 1.00 53.31 H new ATOM 659 N HIS A 38 -4.528 -0.381 7.973 1.00 73.41 N ATOM 660 CA HIS A 38 -4.413 -0.310 9.450 1.00 64.53 C ATOM 661 C HIS A 38 -4.106 -1.715 10.036 1.00 44.04 C ATOM 662 O HIS A 38 -4.680 -2.710 9.574 1.00 45.42 O ATOM 663 CB HIS A 38 -5.710 0.285 10.090 1.00 24.21 C ATOM 664 CG HIS A 38 -6.993 -0.371 9.631 1.00 72.44 C ATOM 665 ND1 HIS A 38 -7.355 -1.653 9.989 1.00 35.52 N ATOM 666 CD2 HIS A 38 -7.981 0.078 8.821 1.00 14.24 C ATOM 667 CE1 HIS A 38 -8.498 -1.963 9.420 1.00 50.11 C ATOM 668 NE2 HIS A 38 -8.901 -0.932 8.707 1.00 1.34 N ATOM 0 H HIS A 38 -4.755 -1.313 7.627 1.00 73.41 H new ATOM 0 HA HIS A 38 -3.586 0.357 9.694 1.00 64.53 H new ATOM 0 HB2 HIS A 38 -5.639 0.196 11.174 1.00 24.21 H new ATOM 0 HB3 HIS A 38 -5.758 1.349 9.860 1.00 24.21 H new ATOM 0 HD2 HIS A 38 -8.034 1.050 8.353 1.00 14.24 H new ATOM 0 HE1 HIS A 38 -9.019 -2.904 9.520 1.00 50.11 H new ATOM 0 HE2 HIS A 38 -9.760 -0.891 8.158 1.00 1.34 H new ATOM 677 N PRO A 39 -3.202 -1.823 11.066 1.00 51.01 N ATOM 678 CA PRO A 39 -2.916 -3.112 11.747 1.00 72.40 C ATOM 679 C PRO A 39 -3.998 -3.503 12.796 1.00 12.35 C ATOM 680 O PRO A 39 -4.992 -2.786 12.992 1.00 5.13 O ATOM 681 CB PRO A 39 -1.533 -2.853 12.393 1.00 24.32 C ATOM 682 CG PRO A 39 -1.525 -1.382 12.696 1.00 51.23 C ATOM 683 CD PRO A 39 -2.377 -0.715 11.626 1.00 13.21 C ATOM 0 HA PRO A 39 -2.922 -3.960 11.062 1.00 72.40 H new ATOM 0 HB2 PRO A 39 -1.402 -3.445 13.299 1.00 24.32 H new ATOM 0 HB3 PRO A 39 -0.723 -3.123 11.716 1.00 24.32 H new ATOM 0 HG2 PRO A 39 -1.929 -1.189 13.690 1.00 51.23 H new ATOM 0 HG3 PRO A 39 -0.508 -0.989 12.683 1.00 51.23 H new ATOM 0 HD2 PRO A 39 -3.002 0.072 12.049 1.00 13.21 H new ATOM 0 HD3 PRO A 39 -1.759 -0.252 10.857 1.00 13.21 H new ATOM 691 N GLN A 40 -3.790 -4.665 13.446 1.00 23.30 N ATOM 692 CA GLN A 40 -4.719 -5.224 14.454 1.00 73.44 C ATOM 693 C GLN A 40 -4.767 -4.350 15.735 1.00 72.13 C ATOM 694 O GLN A 40 -3.717 -3.943 16.256 1.00 10.24 O ATOM 695 CB GLN A 40 -4.351 -6.702 14.815 1.00 44.30 C ATOM 696 CG GLN A 40 -2.949 -6.940 15.453 1.00 0.41 C ATOM 697 CD GLN A 40 -1.797 -7.178 14.461 1.00 13.33 C ATOM 698 OE1 GLN A 40 -1.811 -6.735 13.322 1.00 72.44 O ATOM 699 NE2 GLN A 40 -0.781 -7.883 14.906 1.00 21.00 N ATOM 0 H GLN A 40 -2.968 -5.248 13.287 1.00 23.30 H new ATOM 0 HA GLN A 40 -5.712 -5.220 14.006 1.00 73.44 H new ATOM 0 HB2 GLN A 40 -5.106 -7.082 15.503 1.00 44.30 H new ATOM 0 HB3 GLN A 40 -4.417 -7.300 13.906 1.00 44.30 H new ATOM 0 HG2 GLN A 40 -2.700 -6.077 16.071 1.00 0.41 H new ATOM 0 HG3 GLN A 40 -3.014 -7.800 16.119 1.00 0.41 H new ATOM 0 HE21 GLN A 40 -0.789 -8.244 15.860 1.00 21.00 H new ATOM 0 HE22 GLN A 40 0.016 -8.070 14.297 1.00 21.00 H new ATOM 708 N ASP A 41 -6.003 -4.031 16.196 1.00 1.31 N ATOM 709 CA ASP A 41 -6.269 -3.235 17.430 1.00 41.43 C ATOM 710 C ASP A 41 -5.678 -1.791 17.373 1.00 2.12 C ATOM 711 O ASP A 41 -5.599 -1.096 18.397 1.00 34.35 O ATOM 712 CB ASP A 41 -5.771 -3.994 18.690 1.00 64.22 C ATOM 713 CG ASP A 41 -6.378 -5.400 18.814 1.00 32.24 C ATOM 714 OD1 ASP A 41 -7.536 -5.520 19.260 1.00 32.21 O ATOM 715 OD2 ASP A 41 -5.704 -6.393 18.447 1.00 44.04 O ATOM 0 H ASP A 41 -6.856 -4.321 15.718 1.00 1.31 H new ATOM 0 HA ASP A 41 -7.350 -3.115 17.494 1.00 41.43 H new ATOM 0 HB2 ASP A 41 -4.684 -4.074 18.655 1.00 64.22 H new ATOM 0 HB3 ASP A 41 -6.020 -3.415 19.580 1.00 64.22 H new ATOM 720 N ALA A 42 -5.313 -1.345 16.158 1.00 75.14 N ATOM 721 CA ALA A 42 -4.733 -0.013 15.907 1.00 14.43 C ATOM 722 C ALA A 42 -5.361 0.610 14.644 1.00 23.22 C ATOM 723 O ALA A 42 -5.732 -0.100 13.704 1.00 70.15 O ATOM 724 CB ALA A 42 -3.207 -0.109 15.761 1.00 2.31 C ATOM 0 H ALA A 42 -5.414 -1.906 15.312 1.00 75.14 H new ATOM 0 HA ALA A 42 -4.954 0.630 16.759 1.00 14.43 H new ATOM 0 HB1 ALA A 42 -2.796 0.883 15.576 1.00 2.31 H new ATOM 0 HB2 ALA A 42 -2.779 -0.514 16.678 1.00 2.31 H new ATOM 0 HB3 ALA A 42 -2.962 -0.765 14.925 1.00 2.31 H new ATOM 730 N SER A 43 -5.454 1.939 14.630 1.00 2.32 N ATOM 731 CA SER A 43 -6.123 2.710 13.557 1.00 21.23 C ATOM 732 C SER A 43 -5.113 3.553 12.752 1.00 15.05 C ATOM 733 O SER A 43 -3.902 3.494 12.983 1.00 53.11 O ATOM 734 CB SER A 43 -7.212 3.618 14.179 1.00 3.04 C ATOM 735 OG SER A 43 -6.659 4.556 15.088 1.00 41.21 O ATOM 0 H SER A 43 -5.066 2.527 15.367 1.00 2.32 H new ATOM 0 HA SER A 43 -6.586 2.007 12.864 1.00 21.23 H new ATOM 0 HB2 SER A 43 -7.740 4.148 13.386 1.00 3.04 H new ATOM 0 HB3 SER A 43 -7.948 3.002 14.695 1.00 3.04 H new ATOM 0 HG SER A 43 -7.375 5.113 15.460 1.00 41.21 H new ATOM 741 N VAL A 44 -5.637 4.307 11.779 1.00 35.04 N ATOM 742 CA VAL A 44 -4.851 5.229 10.937 1.00 45.42 C ATOM 743 C VAL A 44 -5.634 6.548 10.727 1.00 12.21 C ATOM 744 O VAL A 44 -6.873 6.555 10.698 1.00 21.03 O ATOM 745 CB VAL A 44 -4.509 4.559 9.552 1.00 71.30 C ATOM 746 CG1 VAL A 44 -5.796 4.140 8.798 1.00 44.21 C ATOM 747 CG2 VAL A 44 -3.600 5.462 8.669 1.00 24.12 C ATOM 0 H VAL A 44 -6.630 4.297 11.548 1.00 35.04 H new ATOM 0 HA VAL A 44 -3.913 5.455 11.444 1.00 45.42 H new ATOM 0 HB VAL A 44 -3.939 3.655 9.768 1.00 71.30 H new ATOM 0 HG11 VAL A 44 -5.527 3.681 7.847 1.00 44.21 H new ATOM 0 HG12 VAL A 44 -6.354 3.424 9.401 1.00 44.21 H new ATOM 0 HG13 VAL A 44 -6.413 5.020 8.615 1.00 44.21 H new ATOM 0 HG21 VAL A 44 -3.392 4.957 7.726 1.00 24.12 H new ATOM 0 HG22 VAL A 44 -4.107 6.406 8.471 1.00 24.12 H new ATOM 0 HG23 VAL A 44 -2.663 5.656 9.191 1.00 24.12 H new ATOM 757 N THR A 45 -4.906 7.664 10.635 1.00 33.22 N ATOM 758 CA THR A 45 -5.478 8.977 10.287 1.00 64.04 C ATOM 759 C THR A 45 -4.574 9.674 9.256 1.00 0.52 C ATOM 760 O THR A 45 -3.407 9.959 9.545 1.00 13.33 O ATOM 761 CB THR A 45 -5.651 9.893 11.552 1.00 12.53 C ATOM 762 OG1 THR A 45 -6.517 9.258 12.517 1.00 42.34 O ATOM 763 CG2 THR A 45 -6.231 11.277 11.192 1.00 1.21 C ATOM 0 H THR A 45 -3.900 7.687 10.799 1.00 33.22 H new ATOM 0 HA THR A 45 -6.468 8.811 9.863 1.00 64.04 H new ATOM 0 HB THR A 45 -4.658 10.038 11.977 1.00 12.53 H new ATOM 0 HG1 THR A 45 -6.615 9.838 13.301 1.00 42.34 H new ATOM 0 HG21 THR A 45 -6.333 11.875 12.097 1.00 1.21 H new ATOM 0 HG22 THR A 45 -5.561 11.782 10.496 1.00 1.21 H new ATOM 0 HG23 THR A 45 -7.209 11.152 10.728 1.00 1.21 H new ATOM 771 N VAL A 46 -5.107 9.916 8.047 1.00 61.42 N ATOM 772 CA VAL A 46 -4.402 10.690 7.008 1.00 11.32 C ATOM 773 C VAL A 46 -4.603 12.204 7.252 1.00 54.13 C ATOM 774 O VAL A 46 -5.726 12.666 7.456 1.00 24.02 O ATOM 775 CB VAL A 46 -4.885 10.299 5.562 1.00 73.22 C ATOM 776 CG1 VAL A 46 -4.157 11.124 4.476 1.00 40.43 C ATOM 777 CG2 VAL A 46 -4.705 8.778 5.311 1.00 1.23 C ATOM 0 H VAL A 46 -6.029 9.585 7.763 1.00 61.42 H new ATOM 0 HA VAL A 46 -3.340 10.451 7.074 1.00 11.32 H new ATOM 0 HB VAL A 46 -5.947 10.534 5.497 1.00 73.22 H new ATOM 0 HG11 VAL A 46 -4.516 10.826 3.491 1.00 40.43 H new ATOM 0 HG12 VAL A 46 -4.356 12.184 4.630 1.00 40.43 H new ATOM 0 HG13 VAL A 46 -3.084 10.944 4.540 1.00 40.43 H new ATOM 0 HG21 VAL A 46 -5.046 8.532 4.305 1.00 1.23 H new ATOM 0 HG22 VAL A 46 -3.652 8.515 5.412 1.00 1.23 H new ATOM 0 HG23 VAL A 46 -5.291 8.217 6.040 1.00 1.23 H new ATOM 787 N TYR A 47 -3.497 12.958 7.259 1.00 13.45 N ATOM 788 CA TYR A 47 -3.506 14.429 7.445 1.00 31.42 C ATOM 789 C TYR A 47 -3.282 15.149 6.096 1.00 52.22 C ATOM 790 O TYR A 47 -3.808 16.246 5.868 1.00 15.11 O ATOM 791 CB TYR A 47 -2.422 14.826 8.475 1.00 0.32 C ATOM 792 CG TYR A 47 -2.618 14.151 9.845 1.00 34.35 C ATOM 793 CD1 TYR A 47 -3.531 14.662 10.773 1.00 13.31 C ATOM 794 CD2 TYR A 47 -1.925 12.986 10.189 1.00 24.24 C ATOM 795 CE1 TYR A 47 -3.733 14.046 11.993 1.00 55.00 C ATOM 796 CE2 TYR A 47 -2.132 12.366 11.406 1.00 22.14 C ATOM 797 CZ TYR A 47 -3.035 12.897 12.303 1.00 1.41 C ATOM 798 OH TYR A 47 -3.248 12.278 13.516 1.00 74.42 O ATOM 0 H TYR A 47 -2.562 12.570 7.136 1.00 13.45 H new ATOM 0 HA TYR A 47 -4.480 14.737 7.825 1.00 31.42 H new ATOM 0 HB2 TYR A 47 -1.441 14.560 8.082 1.00 0.32 H new ATOM 0 HB3 TYR A 47 -2.431 15.908 8.605 1.00 0.32 H new ATOM 0 HD1 TYR A 47 -4.089 15.555 10.531 1.00 13.31 H new ATOM 0 HD2 TYR A 47 -1.216 12.564 9.492 1.00 24.24 H new ATOM 0 HE1 TYR A 47 -4.434 14.462 12.701 1.00 55.00 H new ATOM 0 HE2 TYR A 47 -1.588 11.467 11.655 1.00 22.14 H new ATOM 0 HH TYR A 47 -4.169 12.439 13.808 1.00 74.42 H new ATOM 808 N ASP A 48 -2.512 14.501 5.206 1.00 20.52 N ATOM 809 CA ASP A 48 -2.205 15.017 3.859 1.00 50.33 C ATOM 810 C ASP A 48 -2.026 13.832 2.879 1.00 72.31 C ATOM 811 O ASP A 48 -1.548 12.765 3.276 1.00 52.13 O ATOM 812 CB ASP A 48 -0.930 15.898 3.913 1.00 61.35 C ATOM 813 CG ASP A 48 -0.604 16.560 2.565 1.00 75.33 C ATOM 814 OD1 ASP A 48 -1.295 17.536 2.194 1.00 73.53 O ATOM 815 OD2 ASP A 48 0.331 16.107 1.872 1.00 23.44 O ATOM 0 H ASP A 48 -2.081 13.597 5.401 1.00 20.52 H new ATOM 0 HA ASP A 48 -3.029 15.635 3.503 1.00 50.33 H new ATOM 0 HB2 ASP A 48 -1.061 16.671 4.670 1.00 61.35 H new ATOM 0 HB3 ASP A 48 -0.084 15.286 4.226 1.00 61.35 H new ATOM 820 N PHE A 49 -2.403 14.034 1.602 1.00 73.31 N ATOM 821 CA PHE A 49 -2.417 12.955 0.587 1.00 62.20 C ATOM 822 C PHE A 49 -2.500 13.562 -0.836 1.00 42.01 C ATOM 823 O PHE A 49 -3.412 14.343 -1.130 1.00 23.21 O ATOM 824 CB PHE A 49 -3.631 12.001 0.848 1.00 53.41 C ATOM 825 CG PHE A 49 -3.489 10.568 0.314 1.00 14.21 C ATOM 826 CD1 PHE A 49 -3.614 10.280 -1.043 1.00 65.33 C ATOM 827 CD2 PHE A 49 -3.274 9.498 1.191 1.00 25.21 C ATOM 828 CE1 PHE A 49 -3.520 8.978 -1.499 1.00 63.23 C ATOM 829 CE2 PHE A 49 -3.191 8.202 0.727 1.00 13.01 C ATOM 830 CZ PHE A 49 -3.314 7.942 -0.616 1.00 63.14 C ATOM 0 H PHE A 49 -2.705 14.940 1.244 1.00 73.31 H new ATOM 0 HA PHE A 49 -1.494 12.380 0.662 1.00 62.20 H new ATOM 0 HB2 PHE A 49 -3.804 11.951 1.923 1.00 53.41 H new ATOM 0 HB3 PHE A 49 -4.520 12.447 0.403 1.00 53.41 H new ATOM 0 HD1 PHE A 49 -3.786 11.082 -1.746 1.00 65.33 H new ATOM 0 HD2 PHE A 49 -3.171 9.691 2.249 1.00 25.21 H new ATOM 0 HE1 PHE A 49 -3.609 8.772 -2.555 1.00 63.23 H new ATOM 0 HE2 PHE A 49 -3.029 7.390 1.421 1.00 13.01 H new ATOM 0 HZ PHE A 49 -3.249 6.927 -0.979 1.00 63.14 H new ATOM 840 N ASN A 50 -1.537 13.202 -1.700 1.00 35.23 N ATOM 841 CA ASN A 50 -1.518 13.610 -3.121 1.00 30.15 C ATOM 842 C ASN A 50 -0.724 12.563 -3.937 1.00 70.03 C ATOM 843 O ASN A 50 0.514 12.544 -3.904 1.00 50.23 O ATOM 844 CB ASN A 50 -0.889 15.026 -3.267 1.00 40.42 C ATOM 845 CG ASN A 50 -1.016 15.620 -4.672 1.00 44.41 C ATOM 846 OD1 ASN A 50 -1.980 15.359 -5.386 1.00 64.22 O ATOM 847 ND2 ASN A 50 -0.052 16.424 -5.082 1.00 63.31 N ATOM 0 H ASN A 50 -0.745 12.617 -1.435 1.00 35.23 H new ATOM 0 HA ASN A 50 -2.537 13.658 -3.504 1.00 30.15 H new ATOM 0 HB2 ASN A 50 -1.365 15.699 -2.554 1.00 40.42 H new ATOM 0 HB3 ASN A 50 0.166 14.973 -3.000 1.00 40.42 H new ATOM 0 HD21 ASN A 50 -0.098 16.844 -6.011 1.00 63.31 H new ATOM 0 HD22 ASN A 50 0.739 16.625 -4.470 1.00 63.31 H new ATOM 854 N ALA A 51 -1.446 11.690 -4.660 1.00 61.54 N ATOM 855 CA ALA A 51 -0.841 10.581 -5.420 1.00 34.22 C ATOM 856 C ALA A 51 -0.661 10.936 -6.910 1.00 24.31 C ATOM 857 O ALA A 51 -1.552 10.717 -7.737 1.00 24.12 O ATOM 858 CB ALA A 51 -1.667 9.310 -5.228 1.00 61.44 C ATOM 0 H ALA A 51 -2.462 11.732 -4.734 1.00 61.54 H new ATOM 0 HA ALA A 51 0.161 10.400 -5.030 1.00 34.22 H new ATOM 0 HB1 ALA A 51 -1.215 8.494 -5.792 1.00 61.44 H new ATOM 0 HB2 ALA A 51 -1.693 9.049 -4.170 1.00 61.44 H new ATOM 0 HB3 ALA A 51 -2.683 9.479 -5.585 1.00 61.44 H new ATOM 864 N THR A 52 0.507 11.508 -7.219 1.00 65.02 N ATOM 865 CA THR A 52 0.893 11.930 -8.584 1.00 35.02 C ATOM 866 C THR A 52 2.424 11.809 -8.754 1.00 31.01 C ATOM 867 O THR A 52 3.131 11.602 -7.763 1.00 50.34 O ATOM 868 CB THR A 52 0.435 13.408 -8.865 1.00 41.11 C ATOM 869 OG1 THR A 52 0.834 13.822 -10.183 1.00 71.42 O ATOM 870 CG2 THR A 52 0.992 14.398 -7.822 1.00 32.40 C ATOM 0 H THR A 52 1.227 11.697 -6.522 1.00 65.02 H new ATOM 0 HA THR A 52 0.396 11.277 -9.302 1.00 35.02 H new ATOM 0 HB THR A 52 -0.653 13.420 -8.793 1.00 41.11 H new ATOM 0 HG1 THR A 52 0.539 14.743 -10.340 1.00 71.42 H new ATOM 0 HG21 THR A 52 0.649 15.406 -8.057 1.00 32.40 H new ATOM 0 HG22 THR A 52 0.640 14.117 -6.829 1.00 32.40 H new ATOM 0 HG23 THR A 52 2.082 14.372 -7.841 1.00 32.40 H new ATOM 878 N LYS A 53 2.942 11.924 -9.997 1.00 3.42 N ATOM 879 CA LYS A 53 4.405 11.908 -10.234 1.00 74.04 C ATOM 880 C LYS A 53 5.069 13.166 -9.582 1.00 71.44 C ATOM 881 O LYS A 53 4.859 14.309 -10.010 1.00 64.02 O ATOM 882 CB LYS A 53 4.772 11.744 -11.755 1.00 70.34 C ATOM 883 CG LYS A 53 4.529 12.950 -12.704 1.00 51.14 C ATOM 884 CD LYS A 53 3.039 13.301 -12.921 1.00 54.12 C ATOM 885 CE LYS A 53 2.854 14.507 -13.859 1.00 75.14 C ATOM 886 NZ LYS A 53 1.422 14.842 -14.065 1.00 61.24 N ATOM 0 H LYS A 53 2.379 12.028 -10.841 1.00 3.42 H new ATOM 0 HA LYS A 53 4.815 11.023 -9.748 1.00 74.04 H new ATOM 0 HB2 LYS A 53 5.828 11.480 -11.816 1.00 70.34 H new ATOM 0 HB3 LYS A 53 4.208 10.896 -12.144 1.00 70.34 H new ATOM 0 HG2 LYS A 53 5.041 13.824 -12.300 1.00 51.14 H new ATOM 0 HG3 LYS A 53 4.983 12.733 -13.671 1.00 51.14 H new ATOM 0 HD2 LYS A 53 2.521 12.437 -13.337 1.00 54.12 H new ATOM 0 HD3 LYS A 53 2.575 13.517 -11.959 1.00 54.12 H new ATOM 0 HE2 LYS A 53 3.372 15.371 -13.443 1.00 75.14 H new ATOM 0 HE3 LYS A 53 3.317 14.291 -14.822 1.00 75.14 H new ATOM 0 HZ1 LYS A 53 1.345 15.660 -14.703 1.00 61.24 H new ATOM 0 HZ2 LYS A 53 0.932 14.027 -14.486 1.00 61.24 H new ATOM 0 HZ3 LYS A 53 0.985 15.074 -13.150 1.00 61.24 H new ATOM 900 N GLY A 54 5.829 12.929 -8.500 1.00 20.22 N ATOM 901 CA GLY A 54 6.346 14.006 -7.639 1.00 44.35 C ATOM 902 C GLY A 54 5.356 14.441 -6.546 1.00 72.21 C ATOM 903 O GLY A 54 5.310 15.619 -6.174 1.00 0.43 O ATOM 0 H GLY A 54 6.101 11.993 -8.199 1.00 20.22 H new ATOM 0 HA2 GLY A 54 7.271 13.673 -7.169 1.00 44.35 H new ATOM 0 HA3 GLY A 54 6.595 14.868 -8.258 1.00 44.35 H new ATOM 907 N GLY A 55 4.565 13.475 -6.028 1.00 63.35 N ATOM 908 CA GLY A 55 3.589 13.727 -4.944 1.00 55.21 C ATOM 909 C GLY A 55 4.049 13.215 -3.571 1.00 42.52 C ATOM 910 O GLY A 55 5.189 12.756 -3.431 1.00 71.12 O ATOM 0 H GLY A 55 4.584 12.506 -6.346 1.00 63.35 H new ATOM 0 HA2 GLY A 55 3.400 14.799 -4.878 1.00 55.21 H new ATOM 0 HA3 GLY A 55 2.642 13.252 -5.201 1.00 55.21 H new ATOM 914 N SER A 56 3.157 13.281 -2.555 1.00 42.53 N ATOM 915 CA SER A 56 3.457 12.821 -1.168 1.00 35.20 C ATOM 916 C SER A 56 2.161 12.596 -0.352 1.00 32.21 C ATOM 917 O SER A 56 1.108 13.124 -0.703 1.00 21.31 O ATOM 918 CB SER A 56 4.383 13.823 -0.433 1.00 1.31 C ATOM 919 OG SER A 56 3.788 15.103 -0.298 1.00 52.12 O ATOM 0 H SER A 56 2.213 13.651 -2.667 1.00 42.53 H new ATOM 0 HA SER A 56 3.977 11.867 -1.252 1.00 35.20 H new ATOM 0 HB2 SER A 56 4.627 13.432 0.555 1.00 1.31 H new ATOM 0 HB3 SER A 56 5.321 13.916 -0.980 1.00 1.31 H new ATOM 0 HG SER A 56 4.405 15.702 0.172 1.00 52.12 H new ATOM 925 N ALA A 57 2.251 11.808 0.746 1.00 50.04 N ATOM 926 CA ALA A 57 1.083 11.497 1.614 1.00 3.41 C ATOM 927 C ALA A 57 1.493 11.291 3.091 1.00 1.12 C ATOM 928 O ALA A 57 2.087 10.267 3.429 1.00 63.04 O ATOM 929 CB ALA A 57 0.340 10.250 1.097 1.00 1.34 C ATOM 0 H ALA A 57 3.121 11.374 1.054 1.00 50.04 H new ATOM 0 HA ALA A 57 0.416 12.358 1.572 1.00 3.41 H new ATOM 0 HB1 ALA A 57 -0.511 10.039 1.745 1.00 1.34 H new ATOM 0 HB2 ALA A 57 -0.013 10.432 0.082 1.00 1.34 H new ATOM 0 HB3 ALA A 57 1.018 9.396 1.098 1.00 1.34 H new ATOM 935 N PHE A 58 1.157 12.263 3.971 1.00 75.23 N ATOM 936 CA PHE A 58 1.435 12.175 5.428 1.00 13.32 C ATOM 937 C PHE A 58 0.233 11.555 6.187 1.00 2.41 C ATOM 938 O PHE A 58 -0.894 12.052 6.103 1.00 23.14 O ATOM 939 CB PHE A 58 1.782 13.580 6.011 1.00 53.12 C ATOM 940 CG PHE A 58 1.976 13.627 7.541 1.00 3.03 C ATOM 941 CD1 PHE A 58 2.818 12.720 8.195 1.00 1.22 C ATOM 942 CD2 PHE A 58 1.316 14.581 8.320 1.00 61.11 C ATOM 943 CE1 PHE A 58 2.991 12.768 9.567 1.00 3.13 C ATOM 944 CE2 PHE A 58 1.492 14.625 9.692 1.00 63.23 C ATOM 945 CZ PHE A 58 2.327 13.719 10.315 1.00 11.44 C ATOM 0 H PHE A 58 0.688 13.126 3.696 1.00 75.23 H new ATOM 0 HA PHE A 58 2.297 11.522 5.565 1.00 13.32 H new ATOM 0 HB2 PHE A 58 2.694 13.938 5.534 1.00 53.12 H new ATOM 0 HB3 PHE A 58 0.987 14.275 5.740 1.00 53.12 H new ATOM 0 HD1 PHE A 58 3.341 11.971 7.619 1.00 1.22 H new ATOM 0 HD2 PHE A 58 0.659 15.294 7.845 1.00 61.11 H new ATOM 0 HE1 PHE A 58 3.646 12.060 10.053 1.00 3.13 H new ATOM 0 HE2 PHE A 58 0.974 15.371 10.277 1.00 63.23 H new ATOM 0 HZ PHE A 58 2.460 13.754 11.386 1.00 11.44 H new ATOM 955 N TYR A 59 0.504 10.477 6.940 1.00 54.02 N ATOM 956 CA TYR A 59 -0.494 9.803 7.797 1.00 30.40 C ATOM 957 C TYR A 59 0.174 9.205 9.057 1.00 54.22 C ATOM 958 O TYR A 59 1.403 9.083 9.126 1.00 43.10 O ATOM 959 CB TYR A 59 -1.265 8.714 6.989 1.00 31.15 C ATOM 960 CG TYR A 59 -0.389 7.655 6.291 1.00 12.11 C ATOM 961 CD1 TYR A 59 0.127 7.873 5.005 1.00 71.41 C ATOM 962 CD2 TYR A 59 -0.088 6.438 6.911 1.00 72.42 C ATOM 963 CE1 TYR A 59 0.904 6.920 4.372 1.00 4.31 C ATOM 964 CE2 TYR A 59 0.687 5.486 6.278 1.00 70.30 C ATOM 965 CZ TYR A 59 1.181 5.728 5.013 1.00 43.14 C ATOM 966 OH TYR A 59 1.946 4.771 4.379 1.00 73.55 O ATOM 0 H TYR A 59 1.427 10.043 6.974 1.00 54.02 H new ATOM 0 HA TYR A 59 -1.218 10.546 8.131 1.00 30.40 H new ATOM 0 HB2 TYR A 59 -1.951 8.203 7.665 1.00 31.15 H new ATOM 0 HB3 TYR A 59 -1.873 9.211 6.233 1.00 31.15 H new ATOM 0 HD1 TYR A 59 -0.087 8.803 4.499 1.00 71.41 H new ATOM 0 HD2 TYR A 59 -0.468 6.239 7.902 1.00 72.42 H new ATOM 0 HE1 TYR A 59 1.292 7.107 3.382 1.00 4.31 H new ATOM 0 HE2 TYR A 59 0.906 4.552 6.774 1.00 70.30 H new ATOM 0 HH TYR A 59 2.049 3.993 4.966 1.00 73.55 H new ATOM 976 N ALA A 60 -0.651 8.835 10.053 1.00 41.33 N ATOM 977 CA ALA A 60 -0.173 8.291 11.342 1.00 34.41 C ATOM 978 C ALA A 60 -0.967 7.037 11.755 1.00 11.31 C ATOM 979 O ALA A 60 -2.199 7.053 11.772 1.00 12.14 O ATOM 980 CB ALA A 60 -0.283 9.362 12.435 1.00 50.14 C ATOM 0 H ALA A 60 -1.667 8.904 9.990 1.00 41.33 H new ATOM 0 HA ALA A 60 0.871 8.002 11.217 1.00 34.41 H new ATOM 0 HB1 ALA A 60 0.071 8.954 13.382 1.00 50.14 H new ATOM 0 HB2 ALA A 60 0.325 10.224 12.162 1.00 50.14 H new ATOM 0 HB3 ALA A 60 -1.323 9.670 12.539 1.00 50.14 H new ATOM 986 N ILE A 61 -0.240 5.960 12.080 1.00 13.25 N ATOM 987 CA ILE A 61 -0.815 4.748 12.687 1.00 2.44 C ATOM 988 C ILE A 61 -1.059 5.000 14.200 1.00 73.13 C ATOM 989 O ILE A 61 -0.129 4.953 15.018 1.00 23.42 O ATOM 990 CB ILE A 61 0.127 3.503 12.465 1.00 53.30 C ATOM 991 CG1 ILE A 61 0.347 3.227 10.937 1.00 54.43 C ATOM 992 CG2 ILE A 61 -0.398 2.237 13.195 1.00 25.53 C ATOM 993 CD1 ILE A 61 -0.912 2.894 10.138 1.00 3.20 C ATOM 0 H ILE A 61 0.767 5.903 11.930 1.00 13.25 H new ATOM 0 HA ILE A 61 -1.766 4.524 12.205 1.00 2.44 H new ATOM 0 HB ILE A 61 1.093 3.748 12.907 1.00 53.30 H new ATOM 0 HG12 ILE A 61 0.817 4.104 10.492 1.00 54.43 H new ATOM 0 HG13 ILE A 61 1.051 2.401 10.833 1.00 54.43 H new ATOM 0 HG21 ILE A 61 0.282 1.405 13.014 1.00 25.53 H new ATOM 0 HG22 ILE A 61 -0.456 2.432 14.266 1.00 25.53 H new ATOM 0 HG23 ILE A 61 -1.389 1.984 12.818 1.00 25.53 H new ATOM 0 HD11 ILE A 61 -0.646 2.722 9.095 1.00 3.20 H new ATOM 0 HD12 ILE A 61 -1.376 1.997 10.547 1.00 3.20 H new ATOM 0 HD13 ILE A 61 -1.613 3.726 10.201 1.00 3.20 H new ATOM 1005 N GLN A 62 -2.317 5.333 14.528 1.00 43.42 N ATOM 1006 CA GLN A 62 -2.753 5.633 15.902 1.00 70.23 C ATOM 1007 C GLN A 62 -2.948 4.319 16.707 1.00 54.05 C ATOM 1008 O GLN A 62 -3.970 3.636 16.561 1.00 72.00 O ATOM 1009 CB GLN A 62 -4.081 6.451 15.857 1.00 31.22 C ATOM 1010 CG GLN A 62 -4.022 7.767 15.035 1.00 0.34 C ATOM 1011 CD GLN A 62 -3.147 8.876 15.645 1.00 10.15 C ATOM 1012 OE1 GLN A 62 -3.087 8.964 16.966 1.00 2.03 O flip ATOM 1013 NE2 GLN A 62 -2.552 9.679 14.930 1.00 30.32 N flip ATOM 0 H GLN A 62 -3.068 5.402 13.841 1.00 43.42 H new ATOM 0 HA GLN A 62 -1.986 6.225 16.402 1.00 70.23 H new ATOM 0 HB2 GLN A 62 -4.865 5.817 15.442 1.00 31.22 H new ATOM 0 HB3 GLN A 62 -4.374 6.693 16.879 1.00 31.22 H new ATOM 0 HG2 GLN A 62 -3.648 7.538 14.037 1.00 0.34 H new ATOM 0 HG3 GLN A 62 -5.036 8.149 14.916 1.00 0.34 H new ATOM 0 HE21 GLN A 62 -2.608 9.597 13.915 1.00 30.32 H new ATOM 0 HE22 GLN A 62 -2.002 10.427 15.352 1.00 30.32 H new ATOM 1022 N ALA A 63 -1.954 3.968 17.536 1.00 11.13 N ATOM 1023 CA ALA A 63 -1.977 2.743 18.378 1.00 42.35 C ATOM 1024 C ALA A 63 -1.974 3.128 19.890 1.00 52.22 C ATOM 1025 O ALA A 63 -1.478 4.210 20.231 1.00 24.32 O ATOM 1026 CB ALA A 63 -0.786 1.837 17.999 1.00 30.22 C ATOM 0 H ALA A 63 -1.105 4.522 17.648 1.00 11.13 H new ATOM 0 HA ALA A 63 -2.893 2.181 18.195 1.00 42.35 H new ATOM 0 HB1 ALA A 63 -0.802 0.938 18.616 1.00 30.22 H new ATOM 0 HB2 ALA A 63 -0.862 1.557 16.948 1.00 30.22 H new ATOM 0 HB3 ALA A 63 0.147 2.375 18.165 1.00 30.22 H new ATOM 1032 N PRO A 64 -2.543 2.256 20.813 1.00 12.22 N ATOM 1033 CA PRO A 64 -2.786 2.605 22.256 1.00 61.44 C ATOM 1034 C PRO A 64 -1.596 3.269 23.018 1.00 10.12 C ATOM 1035 O PRO A 64 -1.789 4.267 23.726 1.00 53.23 O ATOM 1036 CB PRO A 64 -3.148 1.236 22.889 1.00 31.21 C ATOM 1037 CG PRO A 64 -3.778 0.468 21.771 1.00 72.11 C ATOM 1038 CD PRO A 64 -3.018 0.867 20.521 1.00 24.42 C ATOM 0 HA PRO A 64 -3.556 3.374 22.326 1.00 61.44 H new ATOM 0 HB2 PRO A 64 -2.263 0.728 23.271 1.00 31.21 H new ATOM 0 HB3 PRO A 64 -3.835 1.354 23.727 1.00 31.21 H new ATOM 0 HG2 PRO A 64 -3.709 -0.606 21.946 1.00 72.11 H new ATOM 0 HG3 PRO A 64 -4.837 0.708 21.679 1.00 72.11 H new ATOM 0 HD2 PRO A 64 -2.184 0.192 20.329 1.00 24.42 H new ATOM 0 HD3 PRO A 64 -3.658 0.841 19.639 1.00 24.42 H new ATOM 1046 N GLN A 65 -0.378 2.714 22.874 1.00 10.33 N ATOM 1047 CA GLN A 65 0.842 3.226 23.564 1.00 14.02 C ATOM 1048 C GLN A 65 1.701 4.099 22.615 1.00 3.04 C ATOM 1049 O GLN A 65 2.037 5.243 22.940 1.00 32.33 O ATOM 1050 CB GLN A 65 1.708 2.057 24.140 1.00 25.25 C ATOM 1051 CG GLN A 65 1.049 1.238 25.284 1.00 71.45 C ATOM 1052 CD GLN A 65 -0.078 0.302 24.831 1.00 44.32 C ATOM 1053 OE1 GLN A 65 -0.065 -0.225 23.720 1.00 31.10 O ATOM 1054 NE2 GLN A 65 -1.068 0.095 25.676 1.00 62.23 N ATOM 0 H GLN A 65 -0.202 1.902 22.282 1.00 10.33 H new ATOM 0 HA GLN A 65 0.501 3.845 24.394 1.00 14.02 H new ATOM 0 HB2 GLN A 65 1.956 1.376 23.326 1.00 25.25 H new ATOM 0 HB3 GLN A 65 2.647 2.471 24.507 1.00 25.25 H new ATOM 0 HG2 GLN A 65 1.819 0.646 25.779 1.00 71.45 H new ATOM 0 HG3 GLN A 65 0.652 1.930 26.027 1.00 71.45 H new ATOM 0 HE21 GLN A 65 -1.058 0.542 26.593 1.00 62.23 H new ATOM 0 HE22 GLN A 65 -1.844 -0.513 25.413 1.00 62.23 H new ATOM 1063 N MET A 66 2.058 3.542 21.444 1.00 55.34 N ATOM 1064 CA MET A 66 2.936 4.219 20.451 1.00 4.32 C ATOM 1065 C MET A 66 2.124 4.713 19.232 1.00 63.44 C ATOM 1066 O MET A 66 1.199 4.048 18.793 1.00 4.14 O ATOM 1067 CB MET A 66 4.065 3.254 19.984 1.00 34.32 C ATOM 1068 CG MET A 66 3.582 1.949 19.319 1.00 13.14 C ATOM 1069 SD MET A 66 4.926 0.977 18.595 1.00 0.24 S ATOM 1070 CE MET A 66 5.534 2.091 17.327 1.00 2.14 C ATOM 0 H MET A 66 1.752 2.614 21.153 1.00 55.34 H new ATOM 0 HA MET A 66 3.384 5.087 20.935 1.00 4.32 H new ATOM 0 HB2 MET A 66 4.707 3.785 19.281 1.00 34.32 H new ATOM 0 HB3 MET A 66 4.681 2.997 20.846 1.00 34.32 H new ATOM 0 HG2 MET A 66 3.062 1.342 20.060 1.00 13.14 H new ATOM 0 HG3 MET A 66 2.858 2.192 18.541 1.00 13.14 H new ATOM 0 HE1 MET A 66 6.082 1.522 16.575 1.00 2.14 H new ATOM 0 HE2 MET A 66 4.693 2.600 16.856 1.00 2.14 H new ATOM 0 HE3 MET A 66 6.197 2.829 17.778 1.00 2.14 H new ATOM 1080 N ILE A 67 2.461 5.897 18.701 1.00 43.03 N ATOM 1081 CA ILE A 67 1.871 6.409 17.439 1.00 32.34 C ATOM 1082 C ILE A 67 2.998 6.663 16.420 1.00 44.03 C ATOM 1083 O ILE A 67 3.794 7.589 16.584 1.00 10.34 O ATOM 1084 CB ILE A 67 1.043 7.728 17.672 1.00 73.31 C ATOM 1085 CG1 ILE A 67 -0.051 7.504 18.774 1.00 31.42 C ATOM 1086 CG2 ILE A 67 0.406 8.214 16.339 1.00 62.21 C ATOM 1087 CD1 ILE A 67 -0.749 8.769 19.249 1.00 3.33 C ATOM 0 H ILE A 67 3.143 6.527 19.123 1.00 43.03 H new ATOM 0 HA ILE A 67 1.182 5.658 17.054 1.00 32.34 H new ATOM 0 HB ILE A 67 1.720 8.506 18.025 1.00 73.31 H new ATOM 0 HG12 ILE A 67 -0.802 6.816 18.385 1.00 31.42 H new ATOM 0 HG13 ILE A 67 0.413 7.018 19.632 1.00 31.42 H new ATOM 0 HG21 ILE A 67 -0.162 9.126 16.519 1.00 62.21 H new ATOM 0 HG22 ILE A 67 1.193 8.414 15.611 1.00 62.21 H new ATOM 0 HG23 ILE A 67 -0.259 7.443 15.951 1.00 62.21 H new ATOM 0 HD11 ILE A 67 -1.487 8.514 20.009 1.00 3.33 H new ATOM 0 HD12 ILE A 67 -0.014 9.453 19.672 1.00 3.33 H new ATOM 0 HD13 ILE A 67 -1.247 9.248 18.406 1.00 3.33 H new ATOM 1099 N SER A 68 3.074 5.822 15.382 1.00 22.35 N ATOM 1100 CA SER A 68 4.147 5.904 14.364 1.00 52.01 C ATOM 1101 C SER A 68 3.653 6.629 13.094 1.00 41.34 C ATOM 1102 O SER A 68 2.550 6.371 12.616 1.00 35.05 O ATOM 1103 CB SER A 68 4.655 4.484 14.010 1.00 5.15 C ATOM 1104 OG SER A 68 3.609 3.658 13.517 1.00 63.34 O ATOM 0 H SER A 68 2.405 5.070 15.218 1.00 22.35 H new ATOM 0 HA SER A 68 4.971 6.482 14.783 1.00 52.01 H new ATOM 0 HB2 SER A 68 5.445 4.556 13.262 1.00 5.15 H new ATOM 0 HB3 SER A 68 5.095 4.024 14.895 1.00 5.15 H new ATOM 0 HG SER A 68 3.966 2.771 13.303 1.00 63.34 H new ATOM 1110 N TYR A 69 4.493 7.517 12.552 1.00 23.32 N ATOM 1111 CA TYR A 69 4.160 8.368 11.385 1.00 32.05 C ATOM 1112 C TYR A 69 4.870 7.839 10.121 1.00 30.12 C ATOM 1113 O TYR A 69 5.973 7.300 10.209 1.00 51.54 O ATOM 1114 CB TYR A 69 4.570 9.844 11.683 1.00 25.34 C ATOM 1115 CG TYR A 69 3.992 10.372 13.007 1.00 11.05 C ATOM 1116 CD1 TYR A 69 4.650 10.135 14.216 1.00 3.20 C ATOM 1117 CD2 TYR A 69 2.772 11.047 13.059 1.00 1.20 C ATOM 1118 CE1 TYR A 69 4.122 10.553 15.417 1.00 33.21 C ATOM 1119 CE2 TYR A 69 2.232 11.463 14.266 1.00 62.22 C ATOM 1120 CZ TYR A 69 2.910 11.210 15.443 1.00 45.52 C ATOM 1121 OH TYR A 69 2.369 11.618 16.647 1.00 13.11 O ATOM 0 H TYR A 69 5.436 7.673 12.909 1.00 23.32 H new ATOM 0 HA TYR A 69 3.086 8.335 11.204 1.00 32.05 H new ATOM 0 HB2 TYR A 69 5.657 9.914 11.714 1.00 25.34 H new ATOM 0 HB3 TYR A 69 4.232 10.481 10.866 1.00 25.34 H new ATOM 0 HD1 TYR A 69 5.595 9.612 14.209 1.00 3.20 H new ATOM 0 HD2 TYR A 69 2.239 11.249 12.142 1.00 1.20 H new ATOM 0 HE1 TYR A 69 4.656 10.367 16.337 1.00 33.21 H new ATOM 0 HE2 TYR A 69 1.285 11.983 14.286 1.00 62.22 H new ATOM 0 HH TYR A 69 1.513 12.066 16.486 1.00 13.11 H new ATOM 1131 N THR A 70 4.231 7.985 8.947 1.00 41.30 N ATOM 1132 CA THR A 70 4.797 7.536 7.645 1.00 21.23 C ATOM 1133 C THR A 70 4.358 8.489 6.511 1.00 61.41 C ATOM 1134 O THR A 70 3.184 8.880 6.440 1.00 13.01 O ATOM 1135 CB THR A 70 4.363 6.059 7.293 1.00 54.35 C ATOM 1136 OG1 THR A 70 4.819 5.148 8.312 1.00 1.03 O ATOM 1137 CG2 THR A 70 4.908 5.590 5.926 1.00 63.41 C ATOM 0 H THR A 70 3.310 8.415 8.865 1.00 41.30 H new ATOM 0 HA THR A 70 5.883 7.556 7.740 1.00 21.23 H new ATOM 0 HB THR A 70 3.274 6.060 7.241 1.00 54.35 H new ATOM 0 HG1 THR A 70 4.542 4.236 8.083 1.00 1.03 H new ATOM 0 HG21 THR A 70 4.580 4.568 5.734 1.00 63.41 H new ATOM 0 HG22 THR A 70 4.532 6.245 5.140 1.00 63.41 H new ATOM 0 HG23 THR A 70 5.997 5.625 5.937 1.00 63.41 H new ATOM 1145 N ILE A 71 5.315 8.883 5.641 1.00 2.14 N ATOM 1146 CA ILE A 71 5.031 9.688 4.436 1.00 41.40 C ATOM 1147 C ILE A 71 5.498 8.933 3.171 1.00 3.01 C ATOM 1148 O ILE A 71 6.677 8.585 3.050 1.00 51.24 O ATOM 1149 CB ILE A 71 5.717 11.109 4.482 1.00 62.41 C ATOM 1150 CG1 ILE A 71 5.353 11.855 5.808 1.00 22.23 C ATOM 1151 CG2 ILE A 71 5.311 11.949 3.238 1.00 40.32 C ATOM 1152 CD1 ILE A 71 5.929 13.256 5.960 1.00 43.24 C ATOM 0 H ILE A 71 6.302 8.652 5.756 1.00 2.14 H new ATOM 0 HA ILE A 71 3.953 9.843 4.405 1.00 41.40 H new ATOM 0 HB ILE A 71 6.798 10.973 4.460 1.00 62.41 H new ATOM 0 HG12 ILE A 71 4.267 11.919 5.880 1.00 22.23 H new ATOM 0 HG13 ILE A 71 5.693 11.250 6.648 1.00 22.23 H new ATOM 0 HG21 ILE A 71 5.793 12.926 3.286 1.00 40.32 H new ATOM 0 HG22 ILE A 71 5.627 11.433 2.331 1.00 40.32 H new ATOM 0 HG23 ILE A 71 4.229 12.078 3.224 1.00 40.32 H new ATOM 0 HD11 ILE A 71 5.613 13.678 6.914 1.00 43.24 H new ATOM 0 HD12 ILE A 71 7.017 13.207 5.927 1.00 43.24 H new ATOM 0 HD13 ILE A 71 5.569 13.887 5.147 1.00 43.24 H new ATOM 1164 N ALA A 72 4.569 8.686 2.229 1.00 41.13 N ATOM 1165 CA ALA A 72 4.894 8.036 0.943 1.00 23.11 C ATOM 1166 C ALA A 72 5.039 9.094 -0.178 1.00 32.52 C ATOM 1167 O ALA A 72 4.070 9.769 -0.519 1.00 3.24 O ATOM 1168 CB ALA A 72 3.796 7.012 0.596 1.00 25.31 C ATOM 0 H ALA A 72 3.584 8.927 2.334 1.00 41.13 H new ATOM 0 HA ALA A 72 5.847 7.515 1.032 1.00 23.11 H new ATOM 0 HB1 ALA A 72 4.034 6.531 -0.353 1.00 25.31 H new ATOM 0 HB2 ALA A 72 3.740 6.258 1.381 1.00 25.31 H new ATOM 0 HB3 ALA A 72 2.836 7.522 0.514 1.00 25.31 H new ATOM 1174 N GLU A 73 6.255 9.223 -0.744 1.00 21.42 N ATOM 1175 CA GLU A 73 6.533 10.131 -1.880 1.00 52.12 C ATOM 1176 C GLU A 73 6.225 9.416 -3.218 1.00 25.42 C ATOM 1177 O GLU A 73 6.959 8.522 -3.616 1.00 53.11 O ATOM 1178 CB GLU A 73 8.034 10.549 -1.854 1.00 64.00 C ATOM 1179 CG GLU A 73 8.517 11.215 -0.545 1.00 42.40 C ATOM 1180 CD GLU A 73 7.911 12.605 -0.280 1.00 62.51 C ATOM 1181 OE1 GLU A 73 7.980 13.476 -1.178 1.00 21.45 O ATOM 1182 OE2 GLU A 73 7.409 12.851 0.838 1.00 43.14 O ATOM 0 H GLU A 73 7.073 8.702 -0.429 1.00 21.42 H new ATOM 0 HA GLU A 73 5.901 11.015 -1.792 1.00 52.12 H new ATOM 0 HB2 GLU A 73 8.643 9.664 -2.037 1.00 64.00 H new ATOM 0 HB3 GLU A 73 8.216 11.237 -2.680 1.00 64.00 H new ATOM 0 HG2 GLU A 73 8.275 10.561 0.292 1.00 42.40 H new ATOM 0 HG3 GLU A 73 9.603 11.305 -0.576 1.00 42.40 H new ATOM 1189 N TYR A 74 5.185 9.851 -3.937 1.00 45.21 N ATOM 1190 CA TYR A 74 4.736 9.167 -5.176 1.00 41.54 C ATOM 1191 C TYR A 74 5.632 9.551 -6.372 1.00 0.21 C ATOM 1192 O TYR A 74 5.737 10.724 -6.720 1.00 30.33 O ATOM 1193 CB TYR A 74 3.247 9.470 -5.447 1.00 31.22 C ATOM 1194 CG TYR A 74 2.315 8.955 -4.338 1.00 13.24 C ATOM 1195 CD1 TYR A 74 2.038 9.730 -3.212 1.00 1.41 C ATOM 1196 CD2 TYR A 74 1.729 7.682 -4.409 1.00 42.05 C ATOM 1197 CE1 TYR A 74 1.217 9.263 -2.205 1.00 11.43 C ATOM 1198 CE2 TYR A 74 0.904 7.215 -3.400 1.00 75.12 C ATOM 1199 CZ TYR A 74 0.653 8.009 -2.301 1.00 1.44 C ATOM 1200 OH TYR A 74 -0.163 7.548 -1.289 1.00 72.42 O ATOM 0 H TYR A 74 4.632 10.672 -3.691 1.00 45.21 H new ATOM 0 HA TYR A 74 4.833 8.090 -5.038 1.00 41.54 H new ATOM 0 HB2 TYR A 74 3.115 10.547 -5.553 1.00 31.22 H new ATOM 0 HB3 TYR A 74 2.957 9.018 -6.396 1.00 31.22 H new ATOM 0 HD1 TYR A 74 2.474 10.714 -3.126 1.00 1.41 H new ATOM 0 HD2 TYR A 74 1.925 7.055 -5.266 1.00 42.05 H new ATOM 0 HE1 TYR A 74 1.017 9.880 -1.342 1.00 11.43 H new ATOM 0 HE2 TYR A 74 0.459 6.234 -3.473 1.00 75.12 H new ATOM 0 HH TYR A 74 -1.073 7.885 -1.424 1.00 72.42 H new ATOM 1210 N LEU A 75 6.290 8.539 -6.979 1.00 25.41 N ATOM 1211 CA LEU A 75 7.317 8.747 -8.027 1.00 54.12 C ATOM 1212 C LEU A 75 6.659 8.783 -9.432 1.00 55.35 C ATOM 1213 O LEU A 75 6.955 9.676 -10.239 1.00 23.30 O ATOM 1214 CB LEU A 75 8.412 7.629 -7.907 1.00 32.43 C ATOM 1215 CG LEU A 75 9.831 7.935 -8.526 1.00 52.50 C ATOM 1216 CD1 LEU A 75 10.902 6.960 -7.977 1.00 43.41 C ATOM 1217 CD2 LEU A 75 9.831 7.910 -10.079 1.00 43.03 C ATOM 0 H LEU A 75 6.126 7.557 -6.758 1.00 25.41 H new ATOM 0 HA LEU A 75 7.805 9.712 -7.885 1.00 54.12 H new ATOM 0 HB2 LEU A 75 8.547 7.402 -6.850 1.00 32.43 H new ATOM 0 HB3 LEU A 75 8.025 6.726 -8.380 1.00 32.43 H new ATOM 0 HG LEU A 75 10.082 8.950 -8.220 1.00 52.50 H new ATOM 0 HD11 LEU A 75 11.869 7.195 -8.421 1.00 43.41 H new ATOM 0 HD12 LEU A 75 10.966 7.062 -6.894 1.00 43.41 H new ATOM 0 HD13 LEU A 75 10.626 5.936 -8.229 1.00 43.41 H new ATOM 0 HD21 LEU A 75 10.834 8.127 -10.446 1.00 43.03 H new ATOM 0 HD22 LEU A 75 9.523 6.924 -10.427 1.00 43.03 H new ATOM 0 HD23 LEU A 75 9.136 8.661 -10.455 1.00 43.03 H new ATOM 1229 N GLN A 76 5.763 7.811 -9.716 1.00 61.44 N ATOM 1230 CA GLN A 76 5.067 7.717 -11.025 1.00 11.52 C ATOM 1231 C GLN A 76 3.679 7.039 -10.879 1.00 73.11 C ATOM 1232 O GLN A 76 3.584 5.874 -10.525 1.00 74.51 O ATOM 1233 CB GLN A 76 5.958 6.936 -12.039 1.00 22.01 C ATOM 1234 CG GLN A 76 5.372 6.827 -13.459 1.00 65.33 C ATOM 1235 CD GLN A 76 6.331 6.191 -14.469 1.00 43.43 C ATOM 1236 OE1 GLN A 76 7.180 7.001 -15.074 1.00 24.14 O flip ATOM 1237 NE2 GLN A 76 6.331 4.985 -14.681 1.00 2.13 N flip ATOM 0 H GLN A 76 5.503 7.078 -9.056 1.00 61.44 H new ATOM 0 HA GLN A 76 4.899 8.727 -11.400 1.00 11.52 H new ATOM 0 HB2 GLN A 76 6.931 7.424 -12.098 1.00 22.01 H new ATOM 0 HB3 GLN A 76 6.129 5.931 -11.653 1.00 22.01 H new ATOM 0 HG2 GLN A 76 4.455 6.239 -13.421 1.00 65.33 H new ATOM 0 HG3 GLN A 76 5.098 7.823 -13.808 1.00 65.33 H new ATOM 0 HE21 GLN A 76 5.664 4.383 -14.199 1.00 2.13 H new ATOM 0 HE22 GLN A 76 6.998 4.583 -15.339 1.00 2.13 H new ATOM 1246 N VAL A 77 2.600 7.775 -11.181 1.00 13.31 N ATOM 1247 CA VAL A 77 1.202 7.274 -11.050 1.00 70.33 C ATOM 1248 C VAL A 77 0.439 7.548 -12.369 1.00 44.12 C ATOM 1249 O VAL A 77 0.292 8.708 -12.766 1.00 43.24 O ATOM 1250 CB VAL A 77 0.469 7.963 -9.823 1.00 22.42 C ATOM 1251 CG1 VAL A 77 -1.020 7.543 -9.719 1.00 64.12 C ATOM 1252 CG2 VAL A 77 1.212 7.677 -8.487 1.00 1.44 C ATOM 0 H VAL A 77 2.659 8.734 -11.523 1.00 13.31 H new ATOM 0 HA VAL A 77 1.221 6.201 -10.861 1.00 70.33 H new ATOM 0 HB VAL A 77 0.494 9.037 -10.008 1.00 22.42 H new ATOM 0 HG11 VAL A 77 -1.479 8.040 -8.865 1.00 64.12 H new ATOM 0 HG12 VAL A 77 -1.544 7.831 -10.631 1.00 64.12 H new ATOM 0 HG13 VAL A 77 -1.085 6.463 -9.589 1.00 64.12 H new ATOM 0 HG21 VAL A 77 0.685 8.163 -7.666 1.00 1.44 H new ATOM 0 HG22 VAL A 77 1.244 6.602 -8.312 1.00 1.44 H new ATOM 0 HG23 VAL A 77 2.229 8.066 -8.546 1.00 1.44 H new ATOM 1262 N ASP A 78 -0.033 6.488 -13.060 1.00 73.53 N ATOM 1263 CA ASP A 78 -0.712 6.645 -14.371 1.00 33.51 C ATOM 1264 C ASP A 78 -1.847 5.613 -14.559 1.00 34.42 C ATOM 1265 O ASP A 78 -1.578 4.424 -14.794 1.00 11.33 O ATOM 1266 CB ASP A 78 0.314 6.553 -15.536 1.00 13.30 C ATOM 1267 CG ASP A 78 -0.333 6.813 -16.909 1.00 71.51 C ATOM 1268 OD1 ASP A 78 -0.726 7.968 -17.175 1.00 50.13 O ATOM 1269 OD2 ASP A 78 -0.459 5.871 -17.722 1.00 50.44 O ATOM 0 H ASP A 78 0.041 5.523 -12.739 1.00 73.53 H new ATOM 0 HA ASP A 78 -1.167 7.635 -14.386 1.00 33.51 H new ATOM 0 HB2 ASP A 78 1.113 7.276 -15.371 1.00 13.30 H new ATOM 0 HB3 ASP A 78 0.773 5.564 -15.535 1.00 13.30 H new ATOM 1274 N ALA A 79 -3.111 6.100 -14.423 1.00 32.43 N ATOM 1275 CA ALA A 79 -4.352 5.335 -14.721 1.00 70.13 C ATOM 1276 C ALA A 79 -4.556 4.097 -13.778 1.00 14.10 C ATOM 1277 O ALA A 79 -3.611 3.673 -13.110 1.00 54.34 O ATOM 1278 CB ALA A 79 -4.391 4.968 -16.221 1.00 0.52 C ATOM 0 H ALA A 79 -3.298 7.049 -14.099 1.00 32.43 H new ATOM 0 HA ALA A 79 -5.205 5.979 -14.507 1.00 70.13 H new ATOM 0 HB1 ALA A 79 -5.301 4.408 -16.435 1.00 0.52 H new ATOM 0 HB2 ALA A 79 -4.377 5.879 -16.819 1.00 0.52 H new ATOM 0 HB3 ALA A 79 -3.523 4.358 -16.469 1.00 0.52 H new ATOM 1284 N PRO A 80 -5.812 3.509 -13.689 1.00 25.14 N ATOM 1285 CA PRO A 80 -6.115 2.325 -12.817 1.00 22.44 C ATOM 1286 C PRO A 80 -5.103 1.149 -12.838 1.00 21.44 C ATOM 1287 O PRO A 80 -5.030 0.371 -11.876 1.00 50.02 O ATOM 1288 CB PRO A 80 -7.494 1.873 -13.339 1.00 33.50 C ATOM 1289 CG PRO A 80 -8.157 3.151 -13.740 1.00 52.24 C ATOM 1290 CD PRO A 80 -7.062 3.991 -14.361 1.00 44.51 C ATOM 0 HA PRO A 80 -6.070 2.620 -11.769 1.00 22.44 H new ATOM 0 HB2 PRO A 80 -7.398 1.190 -14.183 1.00 33.50 H new ATOM 0 HB3 PRO A 80 -8.062 1.351 -12.569 1.00 33.50 H new ATOM 0 HG2 PRO A 80 -8.964 2.970 -14.450 1.00 52.24 H new ATOM 0 HG3 PRO A 80 -8.597 3.653 -12.878 1.00 52.24 H new ATOM 0 HD2 PRO A 80 -7.015 3.850 -15.441 1.00 44.51 H new ATOM 0 HD3 PRO A 80 -7.226 5.054 -14.185 1.00 44.51 H new ATOM 1298 N TYR A 81 -4.314 1.039 -13.913 1.00 65.22 N ATOM 1299 CA TYR A 81 -3.448 -0.137 -14.151 1.00 22.52 C ATOM 1300 C TYR A 81 -2.015 0.002 -13.554 1.00 61.24 C ATOM 1301 O TYR A 81 -1.345 -1.023 -13.363 1.00 61.34 O ATOM 1302 CB TYR A 81 -3.384 -0.442 -15.671 1.00 3.30 C ATOM 1303 CG TYR A 81 -2.497 0.499 -16.509 1.00 12.45 C ATOM 1304 CD1 TYR A 81 -2.925 1.778 -16.857 1.00 62.40 C ATOM 1305 CD2 TYR A 81 -1.234 0.091 -16.963 1.00 71.31 C ATOM 1306 CE1 TYR A 81 -2.127 2.613 -17.630 1.00 62.33 C ATOM 1307 CE2 TYR A 81 -0.439 0.922 -17.727 1.00 52.43 C ATOM 1308 CZ TYR A 81 -0.887 2.183 -18.057 1.00 4.50 C ATOM 1309 OH TYR A 81 -0.095 3.016 -18.821 1.00 34.54 O ATOM 0 H TYR A 81 -4.253 1.752 -14.640 1.00 65.22 H new ATOM 0 HA TYR A 81 -3.905 -0.973 -13.621 1.00 22.52 H new ATOM 0 HB2 TYR A 81 -3.024 -1.462 -15.802 1.00 3.30 H new ATOM 0 HB3 TYR A 81 -4.397 -0.408 -16.072 1.00 3.30 H new ATOM 0 HD1 TYR A 81 -3.891 2.126 -16.521 1.00 62.40 H new ATOM 0 HD2 TYR A 81 -0.875 -0.896 -16.709 1.00 71.31 H new ATOM 0 HE1 TYR A 81 -2.477 3.599 -17.897 1.00 62.33 H new ATOM 0 HE2 TYR A 81 0.530 0.585 -18.065 1.00 52.43 H new ATOM 0 HH TYR A 81 -0.198 3.940 -18.511 1.00 34.54 H new ATOM 1319 N TYR A 82 -1.536 1.243 -13.271 1.00 43.24 N ATOM 1320 CA TYR A 82 -0.131 1.466 -12.816 1.00 42.01 C ATOM 1321 C TYR A 82 -0.020 2.492 -11.653 1.00 22.44 C ATOM 1322 O TYR A 82 -0.519 3.619 -11.746 1.00 11.32 O ATOM 1323 CB TYR A 82 0.764 1.929 -14.001 1.00 41.05 C ATOM 1324 CG TYR A 82 2.274 1.924 -13.667 1.00 13.40 C ATOM 1325 CD1 TYR A 82 3.015 0.741 -13.739 1.00 64.11 C ATOM 1326 CD2 TYR A 82 2.950 3.085 -13.256 1.00 1.35 C ATOM 1327 CE1 TYR A 82 4.358 0.709 -13.420 1.00 4.24 C ATOM 1328 CE2 TYR A 82 4.298 3.052 -12.939 1.00 5.41 C ATOM 1329 CZ TYR A 82 4.994 1.863 -13.023 1.00 33.13 C ATOM 1330 OH TYR A 82 6.337 1.822 -12.708 1.00 31.34 O ATOM 0 H TYR A 82 -2.091 2.095 -13.348 1.00 43.24 H new ATOM 0 HA TYR A 82 0.218 0.505 -12.437 1.00 42.01 H new ATOM 0 HB2 TYR A 82 0.586 1.278 -14.857 1.00 41.05 H new ATOM 0 HB3 TYR A 82 0.468 2.935 -14.299 1.00 41.05 H new ATOM 0 HD1 TYR A 82 2.525 -0.170 -14.052 1.00 64.11 H new ATOM 0 HD2 TYR A 82 2.410 4.018 -13.186 1.00 1.35 H new ATOM 0 HE1 TYR A 82 4.908 -0.219 -13.482 1.00 4.24 H new ATOM 0 HE2 TYR A 82 4.803 3.954 -12.627 1.00 5.41 H new ATOM 0 HH TYR A 82 6.580 2.627 -12.205 1.00 31.34 H new ATOM 1340 N ILE A 83 0.673 2.071 -10.568 1.00 71.04 N ATOM 1341 CA ILE A 83 1.030 2.928 -9.408 1.00 10.20 C ATOM 1342 C ILE A 83 2.534 2.712 -9.063 1.00 34.43 C ATOM 1343 O ILE A 83 3.022 1.581 -9.117 1.00 44.22 O ATOM 1344 CB ILE A 83 0.175 2.614 -8.102 1.00 40.25 C ATOM 1345 CG1 ILE A 83 -1.378 2.608 -8.359 1.00 22.44 C ATOM 1346 CG2 ILE A 83 0.537 3.609 -6.966 1.00 15.30 C ATOM 1347 CD1 ILE A 83 -1.938 1.307 -8.927 1.00 60.22 C ATOM 0 H ILE A 83 1.006 1.112 -10.471 1.00 71.04 H new ATOM 0 HA ILE A 83 0.818 3.956 -9.702 1.00 10.20 H new ATOM 0 HB ILE A 83 0.438 1.601 -7.796 1.00 40.25 H new ATOM 0 HG12 ILE A 83 -1.886 2.824 -7.419 1.00 22.44 H new ATOM 0 HG13 ILE A 83 -1.620 3.419 -9.046 1.00 22.44 H new ATOM 0 HG21 ILE A 83 -0.056 3.381 -6.080 1.00 15.30 H new ATOM 0 HG22 ILE A 83 1.597 3.518 -6.727 1.00 15.30 H new ATOM 0 HG23 ILE A 83 0.325 4.627 -7.293 1.00 15.30 H new ATOM 0 HD11 ILE A 83 -3.014 1.405 -9.068 1.00 60.22 H new ATOM 0 HD12 ILE A 83 -1.465 1.095 -9.886 1.00 60.22 H new ATOM 0 HD13 ILE A 83 -1.736 0.490 -8.234 1.00 60.22 H new ATOM 1359 N GLU A 84 3.259 3.794 -8.731 1.00 44.42 N ATOM 1360 CA GLU A 84 4.648 3.723 -8.200 1.00 71.30 C ATOM 1361 C GLU A 84 4.867 4.806 -7.121 1.00 72.20 C ATOM 1362 O GLU A 84 4.465 5.963 -7.314 1.00 60.23 O ATOM 1363 CB GLU A 84 5.681 3.895 -9.350 1.00 74.35 C ATOM 1364 CG GLU A 84 7.165 3.974 -8.904 1.00 24.13 C ATOM 1365 CD GLU A 84 8.173 4.137 -10.059 1.00 63.45 C ATOM 1366 OE1 GLU A 84 7.841 3.832 -11.223 1.00 51.43 O ATOM 1367 OE2 GLU A 84 9.318 4.542 -9.803 1.00 3.51 O ATOM 0 H GLU A 84 2.906 4.747 -8.820 1.00 44.42 H new ATOM 0 HA GLU A 84 4.793 2.742 -7.747 1.00 71.30 H new ATOM 0 HB2 GLU A 84 5.571 3.060 -10.042 1.00 74.35 H new ATOM 0 HB3 GLU A 84 5.436 4.802 -9.903 1.00 74.35 H new ATOM 0 HG2 GLU A 84 7.280 4.812 -8.217 1.00 24.13 H new ATOM 0 HG3 GLU A 84 7.412 3.070 -8.348 1.00 24.13 H new ATOM 1374 N TYR A 85 5.523 4.440 -5.997 1.00 33.13 N ATOM 1375 CA TYR A 85 5.867 5.398 -4.921 1.00 1.34 C ATOM 1376 C TYR A 85 7.123 4.971 -4.123 1.00 22.42 C ATOM 1377 O TYR A 85 7.686 3.887 -4.319 1.00 24.53 O ATOM 1378 CB TYR A 85 4.656 5.628 -3.960 1.00 33.33 C ATOM 1379 CG TYR A 85 4.219 4.414 -3.104 1.00 1.03 C ATOM 1380 CD1 TYR A 85 4.761 4.189 -1.831 1.00 54.42 C ATOM 1381 CD2 TYR A 85 3.252 3.513 -3.563 1.00 5.55 C ATOM 1382 CE1 TYR A 85 4.361 3.115 -1.058 1.00 32.44 C ATOM 1383 CE2 TYR A 85 2.851 2.439 -2.788 1.00 22.05 C ATOM 1384 CZ TYR A 85 3.408 2.245 -1.539 1.00 14.03 C ATOM 1385 OH TYR A 85 3.009 1.169 -0.773 1.00 50.40 O ATOM 0 H TYR A 85 5.826 3.484 -5.811 1.00 33.13 H new ATOM 0 HA TYR A 85 6.105 6.341 -5.412 1.00 1.34 H new ATOM 0 HB2 TYR A 85 4.904 6.449 -3.288 1.00 33.33 H new ATOM 0 HB3 TYR A 85 3.803 5.951 -4.556 1.00 33.33 H new ATOM 0 HD1 TYR A 85 5.507 4.869 -1.446 1.00 54.42 H new ATOM 0 HD2 TYR A 85 2.811 3.658 -4.538 1.00 5.55 H new ATOM 0 HE1 TYR A 85 4.794 2.959 -0.081 1.00 32.44 H new ATOM 0 HE2 TYR A 85 2.104 1.753 -3.159 1.00 22.05 H new ATOM 0 HH TYR A 85 2.330 0.656 -1.258 1.00 50.40 H new ATOM 1395 N LEU A 86 7.524 5.859 -3.202 1.00 72.34 N ATOM 1396 CA LEU A 86 8.642 5.668 -2.272 1.00 23.51 C ATOM 1397 C LEU A 86 8.109 5.750 -0.830 1.00 62.22 C ATOM 1398 O LEU A 86 7.506 6.748 -0.455 1.00 12.32 O ATOM 1399 CB LEU A 86 9.725 6.759 -2.498 1.00 2.53 C ATOM 1400 CG LEU A 86 10.408 6.769 -3.902 1.00 62.10 C ATOM 1401 CD1 LEU A 86 11.357 7.974 -4.046 1.00 45.23 C ATOM 1402 CD2 LEU A 86 11.154 5.438 -4.170 1.00 52.51 C ATOM 0 H LEU A 86 7.062 6.760 -3.081 1.00 72.34 H new ATOM 0 HA LEU A 86 9.095 4.692 -2.445 1.00 23.51 H new ATOM 0 HB2 LEU A 86 9.269 7.735 -2.332 1.00 2.53 H new ATOM 0 HB3 LEU A 86 10.499 6.636 -1.741 1.00 2.53 H new ATOM 0 HG LEU A 86 9.624 6.868 -4.653 1.00 62.10 H new ATOM 0 HD11 LEU A 86 11.820 7.957 -5.033 1.00 45.23 H new ATOM 0 HD12 LEU A 86 10.792 8.898 -3.926 1.00 45.23 H new ATOM 0 HD13 LEU A 86 12.132 7.920 -3.281 1.00 45.23 H new ATOM 0 HD21 LEU A 86 11.620 5.474 -5.155 1.00 52.51 H new ATOM 0 HD22 LEU A 86 11.922 5.292 -3.410 1.00 52.51 H new ATOM 0 HD23 LEU A 86 10.446 4.610 -4.134 1.00 52.51 H new ATOM 1414 N ASP A 87 8.333 4.709 -0.032 1.00 50.33 N ATOM 1415 CA ASP A 87 7.921 4.665 1.374 1.00 1.35 C ATOM 1416 C ASP A 87 9.054 5.216 2.264 1.00 73.52 C ATOM 1417 O ASP A 87 10.178 4.697 2.255 1.00 62.04 O ATOM 1418 CB ASP A 87 7.573 3.207 1.770 1.00 52.02 C ATOM 1419 CG ASP A 87 7.102 3.072 3.231 1.00 2.23 C ATOM 1420 OD1 ASP A 87 5.898 3.264 3.498 1.00 74.44 O ATOM 1421 OD2 ASP A 87 7.940 2.766 4.115 1.00 74.12 O ATOM 0 H ASP A 87 8.810 3.863 -0.343 1.00 50.33 H new ATOM 0 HA ASP A 87 7.035 5.284 1.516 1.00 1.35 H new ATOM 0 HB2 ASP A 87 6.792 2.834 1.107 1.00 52.02 H new ATOM 0 HB3 ASP A 87 8.449 2.577 1.618 1.00 52.02 H new ATOM 1426 N TYR A 88 8.762 6.298 2.986 1.00 32.13 N ATOM 1427 CA TYR A 88 9.626 6.823 4.054 1.00 21.30 C ATOM 1428 C TYR A 88 8.887 6.703 5.397 1.00 44.34 C ATOM 1429 O TYR A 88 7.812 7.292 5.567 1.00 62.43 O ATOM 1430 CB TYR A 88 9.991 8.317 3.799 1.00 63.22 C ATOM 1431 CG TYR A 88 11.065 8.547 2.725 1.00 21.52 C ATOM 1432 CD1 TYR A 88 10.742 8.602 1.365 1.00 35.22 C ATOM 1433 CD2 TYR A 88 12.408 8.716 3.082 1.00 52.55 C ATOM 1434 CE1 TYR A 88 11.720 8.816 0.409 1.00 15.10 C ATOM 1435 CE2 TYR A 88 13.382 8.930 2.130 1.00 75.02 C ATOM 1436 CZ TYR A 88 13.037 8.980 0.798 1.00 41.43 C ATOM 1437 OH TYR A 88 14.016 9.191 -0.150 1.00 72.43 O ATOM 0 H TYR A 88 7.911 6.843 2.848 1.00 32.13 H new ATOM 0 HA TYR A 88 10.549 6.244 4.072 1.00 21.30 H new ATOM 0 HB2 TYR A 88 9.087 8.852 3.508 1.00 63.22 H new ATOM 0 HB3 TYR A 88 10.334 8.757 4.735 1.00 63.22 H new ATOM 0 HD1 TYR A 88 9.715 8.476 1.056 1.00 35.22 H new ATOM 0 HD2 TYR A 88 12.687 8.678 4.125 1.00 52.55 H new ATOM 0 HE1 TYR A 88 11.455 8.855 -0.637 1.00 15.10 H new ATOM 0 HE2 TYR A 88 14.412 9.058 2.428 1.00 75.02 H new ATOM 0 HH TYR A 88 14.885 9.287 0.293 1.00 72.43 H new ATOM 1447 N PHE A 89 9.447 5.934 6.344 1.00 24.13 N ATOM 1448 CA PHE A 89 9.035 6.018 7.758 1.00 33.03 C ATOM 1449 C PHE A 89 9.364 7.426 8.269 1.00 62.13 C ATOM 1450 O PHE A 89 10.511 7.865 8.175 1.00 45.53 O ATOM 1451 CB PHE A 89 9.759 4.947 8.616 1.00 50.41 C ATOM 1452 CG PHE A 89 9.462 5.002 10.119 1.00 71.11 C ATOM 1453 CD1 PHE A 89 8.156 4.912 10.596 1.00 54.54 C ATOM 1454 CD2 PHE A 89 10.493 5.158 11.046 1.00 1.14 C ATOM 1455 CE1 PHE A 89 7.891 4.971 11.954 1.00 10.50 C ATOM 1456 CE2 PHE A 89 10.228 5.218 12.404 1.00 74.41 C ATOM 1457 CZ PHE A 89 8.927 5.126 12.857 1.00 31.34 C ATOM 0 H PHE A 89 10.182 5.251 6.160 1.00 24.13 H new ATOM 0 HA PHE A 89 7.965 5.828 7.839 1.00 33.03 H new ATOM 0 HB2 PHE A 89 9.484 3.960 8.244 1.00 50.41 H new ATOM 0 HB3 PHE A 89 10.834 5.054 8.471 1.00 50.41 H new ATOM 0 HD1 PHE A 89 7.340 4.795 9.898 1.00 54.54 H new ATOM 0 HD2 PHE A 89 11.513 5.233 10.699 1.00 1.14 H new ATOM 0 HE1 PHE A 89 6.874 4.896 12.308 1.00 10.50 H new ATOM 0 HE2 PHE A 89 11.038 5.337 13.108 1.00 74.41 H new ATOM 0 HZ PHE A 89 8.719 5.175 13.916 1.00 31.34 H new ATOM 1467 N ALA A 90 8.357 8.131 8.776 1.00 44.03 N ATOM 1468 CA ALA A 90 8.519 9.513 9.237 1.00 23.05 C ATOM 1469 C ALA A 90 8.857 9.555 10.737 1.00 12.02 C ATOM 1470 O ALA A 90 8.334 8.766 11.532 1.00 74.41 O ATOM 1471 CB ALA A 90 7.251 10.336 8.938 1.00 31.43 C ATOM 0 H ALA A 90 7.410 7.767 8.880 1.00 44.03 H new ATOM 0 HA ALA A 90 9.352 9.958 8.692 1.00 23.05 H new ATOM 0 HB1 ALA A 90 7.390 11.359 9.287 1.00 31.43 H new ATOM 0 HB2 ALA A 90 7.066 10.342 7.864 1.00 31.43 H new ATOM 0 HB3 ALA A 90 6.399 9.890 9.451 1.00 31.43 H new ATOM 1477 N THR A 91 9.759 10.476 11.092 1.00 43.41 N ATOM 1478 CA THR A 91 10.079 10.837 12.496 1.00 25.23 C ATOM 1479 C THR A 91 8.839 11.424 13.232 1.00 41.24 C ATOM 1480 O THR A 91 7.823 11.749 12.601 1.00 63.02 O ATOM 1481 CB THR A 91 11.263 11.877 12.527 1.00 35.11 C ATOM 1482 OG1 THR A 91 11.476 12.396 13.856 1.00 24.33 O ATOM 1483 CG2 THR A 91 11.019 13.045 11.549 1.00 23.54 C ATOM 0 H THR A 91 10.301 11.005 10.409 1.00 43.41 H new ATOM 0 HA THR A 91 10.378 9.927 13.016 1.00 25.23 H new ATOM 0 HB THR A 91 12.158 11.340 12.212 1.00 35.11 H new ATOM 0 HG1 THR A 91 12.218 13.037 13.842 1.00 24.33 H new ATOM 0 HG21 THR A 91 11.856 13.742 11.598 1.00 23.54 H new ATOM 0 HG22 THR A 91 10.929 12.657 10.534 1.00 23.54 H new ATOM 0 HG23 THR A 91 10.100 13.563 11.823 1.00 23.54 H new ATOM 1491 N SER A 92 8.941 11.565 14.568 1.00 43.30 N ATOM 1492 CA SER A 92 7.887 12.206 15.406 1.00 74.22 C ATOM 1493 C SER A 92 7.663 13.700 15.036 1.00 3.32 C ATOM 1494 O SER A 92 6.630 14.279 15.373 1.00 12.31 O ATOM 1495 CB SER A 92 8.251 12.086 16.904 1.00 44.30 C ATOM 1496 OG SER A 92 8.468 10.737 17.278 1.00 1.33 O ATOM 0 H SER A 92 9.748 11.243 15.102 1.00 43.30 H new ATOM 0 HA SER A 92 6.955 11.677 15.209 1.00 74.22 H new ATOM 0 HB2 SER A 92 9.148 12.671 17.110 1.00 44.30 H new ATOM 0 HB3 SER A 92 7.449 12.508 17.510 1.00 44.30 H new ATOM 0 HG SER A 92 8.698 10.694 18.230 1.00 1.33 H new ATOM 1502 N LYS A 93 8.651 14.308 14.346 1.00 3.33 N ATOM 1503 CA LYS A 93 8.547 15.694 13.815 1.00 21.34 C ATOM 1504 C LYS A 93 7.702 15.757 12.505 1.00 74.21 C ATOM 1505 O LYS A 93 7.455 16.847 11.973 1.00 31.11 O ATOM 1506 CB LYS A 93 9.969 16.263 13.566 1.00 51.04 C ATOM 1507 CG LYS A 93 10.952 16.098 14.758 1.00 61.20 C ATOM 1508 CD LYS A 93 10.479 16.746 16.093 1.00 54.54 C ATOM 1509 CE LYS A 93 10.628 18.285 16.141 1.00 61.35 C ATOM 1510 NZ LYS A 93 9.778 19.006 15.160 1.00 61.33 N ATOM 0 H LYS A 93 9.543 13.858 14.139 1.00 3.33 H new ATOM 0 HA LYS A 93 8.032 16.301 14.560 1.00 21.34 H new ATOM 0 HB2 LYS A 93 10.394 15.771 12.691 1.00 51.04 H new ATOM 0 HB3 LYS A 93 9.885 17.323 13.326 1.00 51.04 H new ATOM 0 HG2 LYS A 93 11.120 15.034 14.927 1.00 61.20 H new ATOM 0 HG3 LYS A 93 11.913 16.532 14.481 1.00 61.20 H new ATOM 0 HD2 LYS A 93 9.433 16.489 16.258 1.00 54.54 H new ATOM 0 HD3 LYS A 93 11.047 16.312 16.916 1.00 54.54 H new ATOM 0 HE2 LYS A 93 10.381 18.632 17.144 1.00 61.35 H new ATOM 0 HE3 LYS A 93 11.671 18.544 15.962 1.00 61.35 H new ATOM 0 HZ1 LYS A 93 9.455 19.904 15.574 1.00 61.33 H new ATOM 0 HZ2 LYS A 93 10.329 19.200 14.300 1.00 61.33 H new ATOM 0 HZ3 LYS A 93 8.954 18.420 14.918 1.00 61.33 H new ATOM 1524 N GLY A 94 7.285 14.578 11.995 1.00 41.52 N ATOM 1525 CA GLY A 94 6.379 14.484 10.837 1.00 11.44 C ATOM 1526 C GLY A 94 7.051 14.716 9.478 1.00 70.54 C ATOM 1527 O GLY A 94 6.462 15.340 8.587 1.00 30.14 O ATOM 0 H GLY A 94 7.566 13.673 12.373 1.00 41.52 H new ATOM 0 HA2 GLY A 94 5.916 13.497 10.834 1.00 11.44 H new ATOM 0 HA3 GLY A 94 5.577 15.212 10.960 1.00 11.44 H new ATOM 1531 N GLU A 95 8.290 14.204 9.312 1.00 4.53 N ATOM 1532 CA GLU A 95 9.082 14.370 8.062 1.00 23.54 C ATOM 1533 C GLU A 95 9.579 13.003 7.513 1.00 11.23 C ATOM 1534 O GLU A 95 8.912 12.377 6.694 1.00 60.44 O ATOM 1535 CB GLU A 95 10.285 15.325 8.299 1.00 5.35 C ATOM 1536 CG GLU A 95 9.921 16.755 8.736 1.00 43.15 C ATOM 1537 CD GLU A 95 11.148 17.676 8.784 1.00 14.12 C ATOM 1538 OE1 GLU A 95 11.821 17.825 7.733 1.00 71.33 O ATOM 1539 OE2 GLU A 95 11.464 18.231 9.859 1.00 25.15 O ATOM 0 H GLU A 95 8.772 13.666 10.033 1.00 4.53 H new ATOM 0 HA GLU A 95 8.424 14.811 7.313 1.00 23.54 H new ATOM 0 HB2 GLU A 95 10.931 14.885 9.059 1.00 5.35 H new ATOM 0 HB3 GLU A 95 10.867 15.382 7.379 1.00 5.35 H new ATOM 0 HG2 GLU A 95 9.185 17.168 8.046 1.00 43.15 H new ATOM 0 HG3 GLU A 95 9.453 16.724 9.720 1.00 43.15 H new ATOM 1546 N LYS A 96 10.754 12.542 7.989 1.00 61.40 N ATOM 1547 CA LYS A 96 11.378 11.274 7.549 1.00 14.41 C ATOM 1548 C LYS A 96 12.435 10.852 8.584 1.00 31.20 C ATOM 1549 O LYS A 96 13.010 11.703 9.277 1.00 52.54 O ATOM 1550 CB LYS A 96 12.007 11.378 6.114 1.00 53.43 C ATOM 1551 CG LYS A 96 13.351 12.158 5.993 1.00 54.44 C ATOM 1552 CD LYS A 96 13.250 13.681 6.268 1.00 25.44 C ATOM 1553 CE LYS A 96 12.415 14.435 5.219 1.00 4.12 C ATOM 1554 NZ LYS A 96 12.426 15.906 5.449 1.00 31.10 N ATOM 0 H LYS A 96 11.300 13.040 8.692 1.00 61.40 H new ATOM 0 HA LYS A 96 10.598 10.515 7.483 1.00 14.41 H new ATOM 0 HB2 LYS A 96 12.165 10.367 5.738 1.00 53.43 H new ATOM 0 HB3 LYS A 96 11.278 11.852 5.457 1.00 53.43 H new ATOM 0 HG2 LYS A 96 14.069 11.725 6.689 1.00 54.44 H new ATOM 0 HG3 LYS A 96 13.751 12.011 4.990 1.00 54.44 H new ATOM 0 HD2 LYS A 96 12.810 13.837 7.253 1.00 25.44 H new ATOM 0 HD3 LYS A 96 14.254 14.105 6.297 1.00 25.44 H new ATOM 0 HE2 LYS A 96 12.804 14.221 4.224 1.00 4.12 H new ATOM 0 HE3 LYS A 96 11.388 14.072 5.244 1.00 4.12 H new ATOM 0 HZ1 LYS A 96 11.513 16.310 5.158 1.00 31.10 H new ATOM 0 HZ2 LYS A 96 12.583 16.098 6.459 1.00 31.10 H new ATOM 0 HZ3 LYS A 96 13.190 16.339 4.891 1.00 31.10 H new ATOM 1568 N ASP A 97 12.688 9.548 8.691 1.00 30.25 N ATOM 1569 CA ASP A 97 13.582 8.985 9.717 1.00 0.41 C ATOM 1570 C ASP A 97 14.904 8.495 9.071 1.00 45.33 C ATOM 1571 O ASP A 97 14.911 8.005 7.936 1.00 54.25 O ATOM 1572 CB ASP A 97 12.859 7.825 10.460 1.00 61.34 C ATOM 1573 CG ASP A 97 13.441 7.562 11.861 1.00 52.13 C ATOM 1574 OD1 ASP A 97 14.556 7.009 11.959 1.00 71.11 O ATOM 1575 OD2 ASP A 97 12.808 7.944 12.867 1.00 52.02 O ATOM 0 H ASP A 97 12.282 8.847 8.071 1.00 30.25 H new ATOM 0 HA ASP A 97 13.832 9.760 10.442 1.00 0.41 H new ATOM 0 HB2 ASP A 97 11.799 8.062 10.550 1.00 61.34 H new ATOM 0 HB3 ASP A 97 12.933 6.915 9.864 1.00 61.34 H new ATOM 1580 N THR A 98 16.010 8.618 9.823 1.00 25.05 N ATOM 1581 CA THR A 98 17.374 8.250 9.362 1.00 51.04 C ATOM 1582 C THR A 98 17.627 6.719 9.393 1.00 41.23 C ATOM 1583 O THR A 98 18.647 6.245 8.877 1.00 53.13 O ATOM 1584 CB THR A 98 18.463 8.965 10.235 1.00 52.41 C ATOM 1585 OG1 THR A 98 18.372 8.516 11.603 1.00 33.01 O ATOM 1586 CG2 THR A 98 18.325 10.500 10.190 1.00 63.32 C ATOM 0 H THR A 98 15.991 8.978 10.777 1.00 25.05 H new ATOM 0 HA THR A 98 17.445 8.581 8.326 1.00 51.04 H new ATOM 0 HB THR A 98 19.436 8.703 9.819 1.00 52.41 H new ATOM 0 HG1 THR A 98 19.056 8.966 12.141 1.00 33.01 H new ATOM 0 HG21 THR A 98 19.100 10.953 10.809 1.00 63.32 H new ATOM 0 HG22 THR A 98 18.434 10.845 9.162 1.00 63.32 H new ATOM 0 HG23 THR A 98 17.344 10.788 10.568 1.00 63.32 H new ATOM 1594 N SER A 99 16.699 5.951 9.999 1.00 41.15 N ATOM 1595 CA SER A 99 16.824 4.473 10.138 1.00 30.24 C ATOM 1596 C SER A 99 16.526 3.709 8.823 1.00 73.22 C ATOM 1597 O SER A 99 16.812 2.510 8.731 1.00 44.51 O ATOM 1598 CB SER A 99 15.890 3.956 11.264 1.00 14.32 C ATOM 1599 OG SER A 99 16.206 4.553 12.513 1.00 42.20 O ATOM 0 H SER A 99 15.843 6.329 10.406 1.00 41.15 H new ATOM 0 HA SER A 99 17.865 4.276 10.394 1.00 30.24 H new ATOM 0 HB2 SER A 99 14.853 4.173 11.007 1.00 14.32 H new ATOM 0 HB3 SER A 99 15.979 2.873 11.344 1.00 14.32 H new ATOM 0 HG SER A 99 15.761 5.423 12.582 1.00 42.20 H new ATOM 1605 N MET A 100 15.955 4.392 7.810 1.00 72.23 N ATOM 1606 CA MET A 100 15.641 3.767 6.499 1.00 54.13 C ATOM 1607 C MET A 100 15.769 4.785 5.324 1.00 21.44 C ATOM 1608 O MET A 100 15.580 5.993 5.525 1.00 12.25 O ATOM 1609 CB MET A 100 14.212 3.147 6.524 1.00 54.13 C ATOM 1610 CG MET A 100 13.056 4.149 6.644 1.00 2.54 C ATOM 1611 SD MET A 100 11.447 3.354 6.409 1.00 65.34 S ATOM 1612 CE MET A 100 11.536 2.814 4.704 1.00 71.15 C ATOM 0 H MET A 100 15.700 5.378 7.870 1.00 72.23 H new ATOM 0 HA MET A 100 16.372 2.976 6.329 1.00 54.13 H new ATOM 0 HB2 MET A 100 14.072 2.565 5.613 1.00 54.13 H new ATOM 0 HB3 MET A 100 14.153 2.450 7.360 1.00 54.13 H new ATOM 0 HG2 MET A 100 13.087 4.623 7.625 1.00 2.54 H new ATOM 0 HG3 MET A 100 13.182 4.939 5.904 1.00 2.54 H new ATOM 0 HE1 MET A 100 10.530 2.623 4.330 1.00 71.15 H new ATOM 0 HE2 MET A 100 12.006 3.590 4.101 1.00 71.15 H new ATOM 0 HE3 MET A 100 12.126 1.899 4.642 1.00 71.15 H new ATOM 1622 N PRO A 101 16.118 4.309 4.078 1.00 31.32 N ATOM 1623 CA PRO A 101 16.102 5.149 2.854 1.00 20.53 C ATOM 1624 C PRO A 101 14.750 5.057 2.069 1.00 32.22 C ATOM 1625 O PRO A 101 13.744 4.564 2.597 1.00 32.13 O ATOM 1626 CB PRO A 101 17.283 4.542 2.063 1.00 50.51 C ATOM 1627 CG PRO A 101 17.229 3.068 2.372 1.00 33.02 C ATOM 1628 CD PRO A 101 16.603 2.932 3.760 1.00 4.54 C ATOM 0 HA PRO A 101 16.195 6.217 3.052 1.00 20.53 H new ATOM 0 HB2 PRO A 101 17.181 4.727 0.994 1.00 50.51 H new ATOM 0 HB3 PRO A 101 18.233 4.978 2.372 1.00 50.51 H new ATOM 0 HG2 PRO A 101 16.636 2.538 1.627 1.00 33.02 H new ATOM 0 HG3 PRO A 101 18.228 2.632 2.354 1.00 33.02 H new ATOM 0 HD2 PRO A 101 15.785 2.212 3.759 1.00 4.54 H new ATOM 0 HD3 PRO A 101 17.331 2.587 4.494 1.00 4.54 H new ATOM 1636 N GLY A 102 14.744 5.570 0.818 1.00 42.31 N ATOM 1637 CA GLY A 102 13.573 5.494 -0.074 1.00 0.23 C ATOM 1638 C GLY A 102 13.217 4.065 -0.518 1.00 43.34 C ATOM 1639 O GLY A 102 13.827 3.524 -1.447 1.00 41.32 O ATOM 0 H GLY A 102 15.546 6.044 0.404 1.00 42.31 H new ATOM 0 HA2 GLY A 102 12.713 5.931 0.434 1.00 0.23 H new ATOM 0 HA3 GLY A 102 13.763 6.102 -0.959 1.00 0.23 H new ATOM 1643 N MET A 103 12.236 3.470 0.174 1.00 43.51 N ATOM 1644 CA MET A 103 11.693 2.123 -0.130 1.00 51.22 C ATOM 1645 C MET A 103 10.831 2.154 -1.432 1.00 51.33 C ATOM 1646 O MET A 103 9.906 2.932 -1.533 1.00 43.02 O ATOM 1647 CB MET A 103 10.855 1.664 1.094 1.00 41.22 C ATOM 1648 CG MET A 103 10.077 0.371 0.898 1.00 2.43 C ATOM 1649 SD MET A 103 11.122 -1.004 0.408 1.00 54.32 S ATOM 1650 CE MET A 103 9.870 -2.221 0.037 1.00 41.10 C ATOM 0 H MET A 103 11.785 3.912 0.975 1.00 43.51 H new ATOM 0 HA MET A 103 12.504 1.417 -0.308 1.00 51.22 H new ATOM 0 HB2 MET A 103 11.523 1.542 1.946 1.00 41.22 H new ATOM 0 HB3 MET A 103 10.152 2.457 1.351 1.00 41.22 H new ATOM 0 HG2 MET A 103 9.563 0.118 1.825 1.00 2.43 H new ATOM 0 HG3 MET A 103 9.309 0.526 0.140 1.00 2.43 H new ATOM 0 HE1 MET A 103 10.328 -3.072 -0.468 1.00 41.10 H new ATOM 0 HE2 MET A 103 9.403 -2.557 0.963 1.00 41.10 H new ATOM 0 HE3 MET A 103 9.114 -1.779 -0.611 1.00 41.10 H new ATOM 1660 N HIS A 104 11.118 1.287 -2.417 1.00 14.32 N ATOM 1661 CA HIS A 104 10.509 1.388 -3.779 1.00 35.42 C ATOM 1662 C HIS A 104 9.399 0.322 -4.021 1.00 60.31 C ATOM 1663 O HIS A 104 9.693 -0.865 -4.127 1.00 75.53 O ATOM 1664 CB HIS A 104 11.630 1.262 -4.844 1.00 23.13 C ATOM 1665 CG HIS A 104 11.202 1.586 -6.256 1.00 42.51 C ATOM 1666 ND1 HIS A 104 11.001 0.630 -7.225 1.00 31.13 N ATOM 1667 CD2 HIS A 104 10.963 2.774 -6.862 1.00 44.15 C ATOM 1668 CE1 HIS A 104 10.667 1.208 -8.354 1.00 22.30 C ATOM 1669 NE2 HIS A 104 10.634 2.506 -8.163 1.00 23.04 N ATOM 0 H HIS A 104 11.765 0.506 -2.309 1.00 14.32 H new ATOM 0 HA HIS A 104 10.022 2.360 -3.859 1.00 35.42 H new ATOM 0 HB2 HIS A 104 12.451 1.924 -4.567 1.00 23.13 H new ATOM 0 HB3 HIS A 104 12.020 0.244 -4.822 1.00 23.13 H new ATOM 0 HD2 HIS A 104 11.021 3.750 -6.404 1.00 44.15 H new ATOM 0 HE1 HIS A 104 10.455 0.701 -9.284 1.00 22.30 H new ATOM 0 HE2 HIS A 104 10.401 3.203 -8.870 1.00 23.04 H new ATOM 1678 N ILE A 105 8.117 0.761 -4.097 1.00 12.14 N ATOM 1679 CA ILE A 105 6.966 -0.114 -4.476 1.00 40.53 C ATOM 1680 C ILE A 105 6.430 0.293 -5.878 1.00 34.52 C ATOM 1681 O ILE A 105 6.296 1.483 -6.177 1.00 71.54 O ATOM 1682 CB ILE A 105 5.752 -0.070 -3.435 1.00 20.41 C ATOM 1683 CG1 ILE A 105 6.107 -0.681 -2.041 1.00 33.23 C ATOM 1684 CG2 ILE A 105 4.510 -0.816 -3.985 1.00 0.34 C ATOM 1685 CD1 ILE A 105 7.113 0.097 -1.216 1.00 25.51 C ATOM 0 H ILE A 105 7.848 1.725 -3.900 1.00 12.14 H new ATOM 0 HA ILE A 105 7.354 -1.132 -4.479 1.00 40.53 H new ATOM 0 HB ILE A 105 5.535 0.990 -3.301 1.00 20.41 H new ATOM 0 HG12 ILE A 105 5.188 -0.777 -1.463 1.00 33.23 H new ATOM 0 HG13 ILE A 105 6.493 -1.689 -2.195 1.00 33.23 H new ATOM 0 HG21 ILE A 105 3.703 -0.768 -3.254 1.00 0.34 H new ATOM 0 HG22 ILE A 105 4.186 -0.347 -4.914 1.00 0.34 H new ATOM 0 HG23 ILE A 105 4.766 -1.858 -4.174 1.00 0.34 H new ATOM 0 HD11 ILE A 105 7.284 -0.418 -0.270 1.00 25.51 H new ATOM 0 HD12 ILE A 105 8.053 0.172 -1.763 1.00 25.51 H new ATOM 0 HD13 ILE A 105 6.727 1.097 -1.020 1.00 25.51 H new ATOM 1697 N THR A 106 6.147 -0.714 -6.729 1.00 64.51 N ATOM 1698 CA THR A 106 5.373 -0.552 -7.987 1.00 14.32 C ATOM 1699 C THR A 106 4.221 -1.579 -8.020 1.00 44.11 C ATOM 1700 O THR A 106 4.468 -2.782 -8.070 1.00 62.11 O ATOM 1701 CB THR A 106 6.271 -0.757 -9.262 1.00 0.13 C ATOM 1702 OG1 THR A 106 7.002 -1.995 -9.167 1.00 45.11 O ATOM 1703 CG2 THR A 106 7.252 0.402 -9.459 1.00 5.21 C ATOM 0 H THR A 106 6.450 -1.674 -6.565 1.00 64.51 H new ATOM 0 HA THR A 106 4.984 0.466 -8.003 1.00 14.32 H new ATOM 0 HB THR A 106 5.605 -0.789 -10.125 1.00 0.13 H new ATOM 0 HG1 THR A 106 7.555 -2.111 -9.968 1.00 45.11 H new ATOM 0 HG21 THR A 106 7.854 0.222 -10.350 1.00 5.21 H new ATOM 0 HG22 THR A 106 6.697 1.332 -9.578 1.00 5.21 H new ATOM 0 HG23 THR A 106 7.905 0.478 -8.590 1.00 5.21 H new ATOM 1711 N LEU A 107 2.961 -1.100 -8.003 1.00 23.53 N ATOM 1712 CA LEU A 107 1.770 -1.979 -8.078 1.00 52.04 C ATOM 1713 C LEU A 107 1.169 -1.915 -9.500 1.00 70.21 C ATOM 1714 O LEU A 107 1.039 -0.829 -10.069 1.00 51.32 O ATOM 1715 CB LEU A 107 0.693 -1.602 -7.013 1.00 42.51 C ATOM 1716 CG LEU A 107 1.214 -1.206 -5.578 1.00 22.42 C ATOM 1717 CD1 LEU A 107 1.484 0.312 -5.478 1.00 70.04 C ATOM 1718 CD2 LEU A 107 0.233 -1.665 -4.475 1.00 70.15 C ATOM 0 H LEU A 107 2.738 -0.107 -7.938 1.00 23.53 H new ATOM 0 HA LEU A 107 2.090 -2.998 -7.860 1.00 52.04 H new ATOM 0 HB2 LEU A 107 0.108 -0.769 -7.403 1.00 42.51 H new ATOM 0 HB3 LEU A 107 0.013 -2.447 -6.905 1.00 42.51 H new ATOM 0 HG LEU A 107 2.159 -1.726 -5.421 1.00 22.42 H new ATOM 0 HD11 LEU A 107 1.842 0.553 -4.477 1.00 70.04 H new ATOM 0 HD12 LEU A 107 2.239 0.596 -6.211 1.00 70.04 H new ATOM 0 HD13 LEU A 107 0.562 0.859 -5.675 1.00 70.04 H new ATOM 0 HD21 LEU A 107 0.622 -1.376 -3.499 1.00 70.15 H new ATOM 0 HD22 LEU A 107 -0.737 -1.194 -4.632 1.00 70.15 H new ATOM 0 HD23 LEU A 107 0.121 -2.749 -4.515 1.00 70.15 H new ATOM 1730 N ASN A 108 0.792 -3.077 -10.059 1.00 65.31 N ATOM 1731 CA ASN A 108 0.383 -3.185 -11.477 1.00 54.52 C ATOM 1732 C ASN A 108 -0.697 -4.272 -11.671 1.00 61.30 C ATOM 1733 O ASN A 108 -0.807 -5.191 -10.867 1.00 51.03 O ATOM 1734 CB ASN A 108 1.631 -3.500 -12.340 1.00 44.54 C ATOM 1735 CG ASN A 108 1.385 -3.308 -13.838 1.00 52.11 C ATOM 1736 OD1 ASN A 108 1.340 -2.067 -14.281 1.00 35.14 O flip ATOM 1737 ND2 ASN A 108 1.170 -4.257 -14.580 1.00 14.21 N flip ATOM 0 H ASN A 108 0.761 -3.961 -9.551 1.00 65.31 H new ATOM 0 HA ASN A 108 -0.052 -2.236 -11.791 1.00 54.52 H new ATOM 0 HB2 ASN A 108 2.454 -2.857 -12.027 1.00 44.54 H new ATOM 0 HB3 ASN A 108 1.942 -4.528 -12.157 1.00 44.54 H new ATOM 0 HD21 ASN A 108 1.210 -5.209 -14.215 1.00 14.21 H new ATOM 0 HD22 ASN A 108 0.951 -4.096 -15.563 1.00 14.21 H new ATOM 1744 N PHE A 109 -1.494 -4.150 -12.747 1.00 32.01 N ATOM 1745 CA PHE A 109 -2.510 -5.167 -13.108 1.00 24.13 C ATOM 1746 C PHE A 109 -1.842 -6.438 -13.709 1.00 62.42 C ATOM 1747 O PHE A 109 -0.952 -6.342 -14.558 1.00 14.44 O ATOM 1748 CB PHE A 109 -3.573 -4.568 -14.085 1.00 23.13 C ATOM 1749 CG PHE A 109 -3.131 -4.329 -15.546 1.00 34.31 C ATOM 1750 CD1 PHE A 109 -1.928 -3.683 -15.857 1.00 40.54 C ATOM 1751 CD2 PHE A 109 -3.941 -4.741 -16.611 1.00 5.13 C ATOM 1752 CE1 PHE A 109 -1.555 -3.464 -17.172 1.00 45.33 C ATOM 1753 CE2 PHE A 109 -3.564 -4.519 -17.924 1.00 10.15 C ATOM 1754 CZ PHE A 109 -2.372 -3.880 -18.205 1.00 53.14 C ATOM 0 H PHE A 109 -1.457 -3.356 -13.387 1.00 32.01 H new ATOM 0 HA PHE A 109 -3.026 -5.467 -12.196 1.00 24.13 H new ATOM 0 HB2 PHE A 109 -4.435 -5.235 -14.097 1.00 23.13 H new ATOM 0 HB3 PHE A 109 -3.912 -3.617 -13.674 1.00 23.13 H new ATOM 0 HD1 PHE A 109 -1.281 -3.351 -15.059 1.00 40.54 H new ATOM 0 HD2 PHE A 109 -4.876 -5.241 -16.404 1.00 5.13 H new ATOM 0 HE1 PHE A 109 -0.622 -2.966 -17.391 1.00 45.33 H new ATOM 0 HE2 PHE A 109 -4.203 -4.846 -18.731 1.00 10.15 H new ATOM 0 HZ PHE A 109 -2.080 -3.706 -19.230 1.00 53.14 H new ATOM 1764 N GLU A 110 -2.263 -7.621 -13.246 1.00 22.23 N ATOM 1765 CA GLU A 110 -1.779 -8.909 -13.782 1.00 2.43 C ATOM 1766 C GLU A 110 -2.423 -9.195 -15.160 1.00 14.45 C ATOM 1767 O GLU A 110 -1.732 -9.442 -16.157 1.00 42.11 O ATOM 1768 CB GLU A 110 -2.125 -10.049 -12.793 1.00 31.23 C ATOM 1769 CG GLU A 110 -1.707 -11.462 -13.260 1.00 21.03 C ATOM 1770 CD GLU A 110 -2.333 -12.585 -12.419 1.00 23.50 C ATOM 1771 OE1 GLU A 110 -3.566 -12.768 -12.496 1.00 63.32 O ATOM 1772 OE2 GLU A 110 -1.609 -13.296 -11.698 1.00 50.32 O ATOM 0 H GLU A 110 -2.945 -7.718 -12.494 1.00 22.23 H new ATOM 0 HA GLU A 110 -0.698 -8.854 -13.907 1.00 2.43 H new ATOM 0 HB2 GLU A 110 -1.644 -9.840 -11.837 1.00 31.23 H new ATOM 0 HB3 GLU A 110 -3.201 -10.044 -12.616 1.00 31.23 H new ATOM 0 HG2 GLU A 110 -1.995 -11.593 -14.303 1.00 21.03 H new ATOM 0 HG3 GLU A 110 -0.621 -11.546 -13.217 1.00 21.03 H new ATOM 1832 N GLY A 114 -12.643 -11.165 -14.482 1.00 42.21 N ATOM 1833 CA GLY A 114 -13.868 -10.628 -13.860 1.00 72.51 C ATOM 1834 C GLY A 114 -13.578 -10.005 -12.490 1.00 11.14 C ATOM 1835 O GLY A 114 -14.199 -9.013 -12.091 1.00 33.21 O ATOM 0 HA2 GLY A 114 -14.311 -9.878 -14.515 1.00 72.51 H new ATOM 0 HA3 GLY A 114 -14.601 -11.427 -13.749 1.00 72.51 H new ATOM 1839 N LYS A 115 -12.637 -10.630 -11.757 1.00 32.11 N ATOM 1840 CA LYS A 115 -12.075 -10.099 -10.498 1.00 74.32 C ATOM 1841 C LYS A 115 -10.646 -9.566 -10.768 1.00 44.45 C ATOM 1842 O LYS A 115 -9.796 -10.297 -11.291 1.00 72.23 O ATOM 1843 CB LYS A 115 -12.001 -11.217 -9.430 1.00 63.31 C ATOM 1844 CG LYS A 115 -13.338 -11.903 -9.067 1.00 41.00 C ATOM 1845 CD LYS A 115 -13.119 -13.169 -8.188 1.00 1.21 C ATOM 1846 CE LYS A 115 -12.261 -14.235 -8.907 1.00 31.31 C ATOM 1847 NZ LYS A 115 -11.946 -15.405 -8.051 1.00 33.31 N ATOM 0 H LYS A 115 -12.240 -11.530 -12.025 1.00 32.11 H new ATOM 0 HA LYS A 115 -12.716 -9.297 -10.132 1.00 74.32 H new ATOM 0 HB2 LYS A 115 -11.308 -11.981 -9.782 1.00 63.31 H new ATOM 0 HB3 LYS A 115 -11.575 -10.794 -8.520 1.00 63.31 H new ATOM 0 HG2 LYS A 115 -13.976 -11.197 -8.535 1.00 41.00 H new ATOM 0 HG3 LYS A 115 -13.863 -12.181 -9.981 1.00 41.00 H new ATOM 0 HD2 LYS A 115 -12.634 -12.882 -7.255 1.00 1.21 H new ATOM 0 HD3 LYS A 115 -14.086 -13.599 -7.925 1.00 1.21 H new ATOM 0 HE2 LYS A 115 -12.788 -14.576 -9.798 1.00 31.31 H new ATOM 0 HE3 LYS A 115 -11.330 -13.777 -9.243 1.00 31.31 H new ATOM 0 HZ1 LYS A 115 -11.369 -16.083 -8.589 1.00 33.31 H new ATOM 0 HZ2 LYS A 115 -11.418 -15.090 -7.213 1.00 33.31 H new ATOM 0 HZ3 LYS A 115 -12.830 -15.863 -7.751 1.00 33.31 H new ATOM 1861 N THR A 116 -10.381 -8.315 -10.382 1.00 31.30 N ATOM 1862 CA THR A 116 -9.078 -7.648 -10.625 1.00 71.30 C ATOM 1863 C THR A 116 -7.953 -8.235 -9.756 1.00 64.10 C ATOM 1864 O THR A 116 -8.197 -8.691 -8.650 1.00 34.31 O ATOM 1865 CB THR A 116 -9.188 -6.119 -10.378 1.00 72.20 C ATOM 1866 OG1 THR A 116 -9.584 -5.858 -9.017 1.00 25.34 O ATOM 1867 CG2 THR A 116 -10.201 -5.492 -11.345 1.00 31.24 C ATOM 0 H THR A 116 -11.056 -7.728 -9.892 1.00 31.30 H new ATOM 0 HA THR A 116 -8.822 -7.829 -11.669 1.00 71.30 H new ATOM 0 HB THR A 116 -8.210 -5.672 -10.554 1.00 72.20 H new ATOM 0 HG1 THR A 116 -10.555 -5.736 -8.977 1.00 25.34 H new ATOM 0 HG21 THR A 116 -10.266 -4.420 -11.159 1.00 31.24 H new ATOM 0 HG22 THR A 116 -9.878 -5.663 -12.372 1.00 31.24 H new ATOM 0 HG23 THR A 116 -11.180 -5.947 -11.192 1.00 31.24 H new ATOM 1875 N THR A 117 -6.716 -8.230 -10.274 1.00 52.20 N ATOM 1876 CA THR A 117 -5.542 -8.821 -9.597 1.00 3.22 C ATOM 1877 C THR A 117 -4.372 -7.831 -9.687 1.00 43.23 C ATOM 1878 O THR A 117 -3.767 -7.673 -10.747 1.00 32.01 O ATOM 1879 CB THR A 117 -5.119 -10.199 -10.224 1.00 20.21 C ATOM 1880 OG1 THR A 117 -6.246 -11.098 -10.274 1.00 11.32 O ATOM 1881 CG2 THR A 117 -3.981 -10.865 -9.429 1.00 42.34 C ATOM 0 H THR A 117 -6.496 -7.815 -11.179 1.00 52.20 H new ATOM 0 HA THR A 117 -5.811 -9.012 -8.558 1.00 3.22 H new ATOM 0 HB THR A 117 -4.762 -9.994 -11.233 1.00 20.21 H new ATOM 0 HG1 THR A 117 -5.967 -11.951 -10.668 1.00 11.32 H new ATOM 0 HG21 THR A 117 -3.719 -11.815 -9.895 1.00 42.34 H new ATOM 0 HG22 THR A 117 -3.109 -10.210 -9.424 1.00 42.34 H new ATOM 0 HG23 THR A 117 -4.308 -11.042 -8.404 1.00 42.34 H new ATOM 1889 N VAL A 118 -4.088 -7.128 -8.583 1.00 34.24 N ATOM 1890 CA VAL A 118 -3.046 -6.082 -8.540 1.00 32.34 C ATOM 1891 C VAL A 118 -1.789 -6.587 -7.786 1.00 62.41 C ATOM 1892 O VAL A 118 -1.811 -6.823 -6.571 1.00 14.20 O ATOM 1893 CB VAL A 118 -3.628 -4.754 -7.929 1.00 42.10 C ATOM 1894 CG1 VAL A 118 -2.529 -3.680 -7.678 1.00 25.25 C ATOM 1895 CG2 VAL A 118 -4.738 -4.189 -8.855 1.00 72.42 C ATOM 0 H VAL A 118 -4.570 -7.264 -7.694 1.00 34.24 H new ATOM 0 HA VAL A 118 -2.728 -5.854 -9.557 1.00 32.34 H new ATOM 0 HB VAL A 118 -4.054 -5.002 -6.957 1.00 42.10 H new ATOM 0 HG11 VAL A 118 -2.985 -2.784 -7.256 1.00 25.25 H new ATOM 0 HG12 VAL A 118 -1.789 -4.073 -6.981 1.00 25.25 H new ATOM 0 HG13 VAL A 118 -2.043 -3.430 -8.621 1.00 25.25 H new ATOM 0 HG21 VAL A 118 -5.137 -3.270 -8.426 1.00 72.42 H new ATOM 0 HG22 VAL A 118 -4.319 -3.978 -9.839 1.00 72.42 H new ATOM 0 HG23 VAL A 118 -5.539 -4.922 -8.951 1.00 72.42 H new ATOM 1905 N THR A 119 -0.718 -6.792 -8.565 1.00 23.33 N ATOM 1906 CA THR A 119 0.598 -7.246 -8.090 1.00 42.04 C ATOM 1907 C THR A 119 1.432 -6.080 -7.520 1.00 31.34 C ATOM 1908 O THR A 119 1.821 -5.179 -8.262 1.00 75.01 O ATOM 1909 CB THR A 119 1.394 -7.902 -9.270 1.00 31.34 C ATOM 1910 OG1 THR A 119 0.619 -8.977 -9.845 1.00 75.14 O ATOM 1911 CG2 THR A 119 2.768 -8.452 -8.829 1.00 1.01 C ATOM 0 H THR A 119 -0.743 -6.642 -9.574 1.00 23.33 H new ATOM 0 HA THR A 119 0.425 -7.972 -7.296 1.00 42.04 H new ATOM 0 HB THR A 119 1.572 -7.118 -10.006 1.00 31.34 H new ATOM 0 HG1 THR A 119 1.120 -9.383 -10.583 1.00 75.14 H new ATOM 0 HG21 THR A 119 3.275 -8.895 -9.686 1.00 1.01 H new ATOM 0 HG22 THR A 119 3.374 -7.639 -8.429 1.00 1.01 H new ATOM 0 HG23 THR A 119 2.626 -9.211 -8.060 1.00 1.01 H new ATOM 1919 N SER A 120 1.700 -6.099 -6.202 1.00 1.34 N ATOM 1920 CA SER A 120 2.628 -5.140 -5.567 1.00 52.24 C ATOM 1921 C SER A 120 4.076 -5.703 -5.573 1.00 30.11 C ATOM 1922 O SER A 120 4.400 -6.643 -4.854 1.00 70.31 O ATOM 1923 CB SER A 120 2.170 -4.824 -4.119 1.00 73.34 C ATOM 1924 OG SER A 120 2.279 -5.944 -3.258 1.00 41.41 O ATOM 0 H SER A 120 1.287 -6.769 -5.553 1.00 1.34 H new ATOM 0 HA SER A 120 2.618 -4.213 -6.141 1.00 52.24 H new ATOM 0 HB2 SER A 120 2.770 -4.005 -3.722 1.00 73.34 H new ATOM 0 HB3 SER A 120 1.135 -4.482 -4.135 1.00 73.34 H new ATOM 0 HG SER A 120 3.099 -6.438 -3.467 1.00 41.41 H new ATOM 1930 N THR A 121 4.935 -5.117 -6.406 1.00 62.11 N ATOM 1931 CA THR A 121 6.372 -5.460 -6.466 1.00 11.10 C ATOM 1932 C THR A 121 7.158 -4.504 -5.548 1.00 1.51 C ATOM 1933 O THR A 121 7.326 -3.327 -5.865 1.00 2.45 O ATOM 1934 CB THR A 121 6.920 -5.368 -7.933 1.00 3.10 C ATOM 1935 OG1 THR A 121 6.158 -6.236 -8.790 1.00 2.34 O ATOM 1936 CG2 THR A 121 8.415 -5.739 -8.034 1.00 30.33 C ATOM 0 H THR A 121 4.662 -4.387 -7.064 1.00 62.11 H new ATOM 0 HA THR A 121 6.499 -6.489 -6.129 1.00 11.10 H new ATOM 0 HB THR A 121 6.817 -4.330 -8.248 1.00 3.10 H new ATOM 0 HG1 THR A 121 6.501 -6.175 -9.706 1.00 2.34 H new ATOM 0 HG21 THR A 121 8.741 -5.658 -9.071 1.00 30.33 H new ATOM 0 HG22 THR A 121 9.001 -5.059 -7.415 1.00 30.33 H new ATOM 0 HG23 THR A 121 8.560 -6.762 -7.687 1.00 30.33 H new ATOM 1944 N SER A 122 7.600 -5.011 -4.393 1.00 30.33 N ATOM 1945 CA SER A 122 8.346 -4.213 -3.392 1.00 52.32 C ATOM 1946 C SER A 122 9.838 -4.550 -3.455 1.00 65.02 C ATOM 1947 O SER A 122 10.192 -5.711 -3.437 1.00 2.34 O ATOM 1948 CB SER A 122 7.815 -4.515 -1.974 1.00 63.23 C ATOM 1949 OG SER A 122 8.144 -5.822 -1.544 1.00 65.32 O ATOM 0 H SER A 122 7.456 -5.983 -4.118 1.00 30.33 H new ATOM 0 HA SER A 122 8.205 -3.156 -3.615 1.00 52.32 H new ATOM 0 HB2 SER A 122 8.227 -3.790 -1.272 1.00 63.23 H new ATOM 0 HB3 SER A 122 6.732 -4.392 -1.960 1.00 63.23 H new ATOM 0 HG SER A 122 7.755 -6.477 -2.161 1.00 65.32 H new ATOM 1955 N THR A 123 10.704 -3.539 -3.535 1.00 44.45 N ATOM 1956 CA THR A 123 12.168 -3.730 -3.450 1.00 61.45 C ATOM 1957 C THR A 123 12.672 -3.162 -2.110 1.00 30.33 C ATOM 1958 O THR A 123 12.803 -1.948 -1.946 1.00 60.34 O ATOM 1959 CB THR A 123 12.918 -3.055 -4.651 1.00 2.12 C ATOM 1960 OG1 THR A 123 12.407 -3.582 -5.890 1.00 60.14 O ATOM 1961 CG2 THR A 123 14.445 -3.292 -4.596 1.00 42.40 C ATOM 0 H THR A 123 10.421 -2.567 -3.660 1.00 44.45 H new ATOM 0 HA THR A 123 12.380 -4.798 -3.504 1.00 61.45 H new ATOM 0 HB THR A 123 12.743 -1.981 -4.584 1.00 2.12 H new ATOM 0 HG1 THR A 123 12.873 -3.160 -6.642 1.00 60.14 H new ATOM 0 HG21 THR A 123 14.920 -2.806 -5.448 1.00 42.40 H new ATOM 0 HG22 THR A 123 14.845 -2.876 -3.671 1.00 42.40 H new ATOM 0 HG23 THR A 123 14.649 -4.362 -4.630 1.00 42.40 H new ATOM 1969 N PHE A 124 12.900 -4.065 -1.144 1.00 3.22 N ATOM 1970 CA PHE A 124 13.441 -3.734 0.192 1.00 33.30 C ATOM 1971 C PHE A 124 14.939 -3.302 0.131 1.00 55.43 C ATOM 1972 O PHE A 124 15.629 -3.610 -0.848 1.00 41.03 O ATOM 1973 CB PHE A 124 13.234 -4.948 1.149 1.00 74.12 C ATOM 1974 CG PHE A 124 11.805 -5.069 1.694 1.00 12.20 C ATOM 1975 CD1 PHE A 124 10.762 -5.536 0.893 1.00 13.15 C ATOM 1976 CD2 PHE A 124 11.510 -4.713 3.014 1.00 12.12 C ATOM 1977 CE1 PHE A 124 9.477 -5.638 1.395 1.00 34.41 C ATOM 1978 CE2 PHE A 124 10.224 -4.820 3.510 1.00 45.11 C ATOM 1979 CZ PHE A 124 9.208 -5.281 2.700 1.00 50.13 C ATOM 0 H PHE A 124 12.713 -5.060 -1.266 1.00 3.22 H new ATOM 0 HA PHE A 124 12.894 -2.875 0.581 1.00 33.30 H new ATOM 0 HB2 PHE A 124 13.489 -5.865 0.618 1.00 74.12 H new ATOM 0 HB3 PHE A 124 13.926 -4.861 1.986 1.00 74.12 H new ATOM 0 HD1 PHE A 124 10.960 -5.821 -0.130 1.00 13.15 H new ATOM 0 HD2 PHE A 124 12.299 -4.349 3.656 1.00 12.12 H new ATOM 0 HE1 PHE A 124 8.680 -5.999 0.762 1.00 34.41 H new ATOM 0 HE2 PHE A 124 10.015 -4.542 4.533 1.00 45.11 H new ATOM 0 HZ PHE A 124 8.203 -5.362 3.087 1.00 50.13 H new ATOM 1989 N PRO A 125 15.452 -2.563 1.181 1.00 10.24 N ATOM 1990 CA PRO A 125 16.846 -2.017 1.209 1.00 24.43 C ATOM 1991 C PRO A 125 17.968 -3.068 1.497 1.00 61.31 C ATOM 1992 O PRO A 125 18.702 -2.962 2.490 1.00 64.34 O ATOM 1993 CB PRO A 125 16.749 -0.946 2.327 1.00 52.02 C ATOM 1994 CG PRO A 125 15.733 -1.495 3.279 1.00 73.41 C ATOM 1995 CD PRO A 125 14.690 -2.162 2.407 1.00 52.52 C ATOM 0 HA PRO A 125 17.150 -1.636 0.234 1.00 24.43 H new ATOM 0 HB2 PRO A 125 17.711 -0.794 2.816 1.00 52.02 H new ATOM 0 HB3 PRO A 125 16.438 0.019 1.927 1.00 52.02 H new ATOM 0 HG2 PRO A 125 16.185 -2.209 3.968 1.00 73.41 H new ATOM 0 HG3 PRO A 125 15.292 -0.703 3.884 1.00 73.41 H new ATOM 0 HD2 PRO A 125 14.247 -3.026 2.903 1.00 52.52 H new ATOM 0 HD3 PRO A 125 13.875 -1.480 2.166 1.00 52.52 H new ATOM 2003 N THR A 126 18.081 -4.073 0.593 1.00 34.11 N ATOM 2004 CA THR A 126 19.233 -5.023 0.476 1.00 72.42 C ATOM 2005 C THR A 126 19.556 -5.844 1.754 1.00 10.23 C ATOM 2006 O THR A 126 18.886 -5.717 2.777 1.00 53.01 O ATOM 2007 CB THR A 126 20.527 -4.309 -0.060 1.00 45.12 C ATOM 2008 OG1 THR A 126 21.094 -3.451 0.949 1.00 32.23 O ATOM 2009 CG2 THR A 126 20.212 -3.476 -1.320 1.00 21.34 C ATOM 0 H THR A 126 17.355 -4.256 -0.099 1.00 34.11 H new ATOM 0 HA THR A 126 18.891 -5.755 -0.256 1.00 72.42 H new ATOM 0 HB THR A 126 21.249 -5.085 -0.316 1.00 45.12 H new ATOM 0 HG1 THR A 126 20.439 -3.309 1.664 1.00 32.23 H new ATOM 0 HG21 THR A 126 21.122 -2.991 -1.673 1.00 21.34 H new ATOM 0 HG22 THR A 126 19.823 -4.130 -2.101 1.00 21.34 H new ATOM 0 HG23 THR A 126 19.468 -2.718 -1.078 1.00 21.34 H new ATOM 2017 N GLU A 127 20.558 -6.754 1.630 1.00 20.02 N ATOM 2018 CA GLU A 127 21.126 -7.530 2.764 1.00 3.43 C ATOM 2019 C GLU A 127 20.053 -8.368 3.513 1.00 14.22 C ATOM 2020 O GLU A 127 20.029 -8.412 4.750 1.00 64.10 O ATOM 2021 CB GLU A 127 21.907 -6.584 3.725 1.00 52.21 C ATOM 2022 CG GLU A 127 23.074 -5.835 3.046 1.00 23.32 C ATOM 2023 CD GLU A 127 23.863 -4.934 4.012 1.00 2.45 C ATOM 2024 OE1 GLU A 127 24.769 -5.440 4.706 1.00 34.01 O ATOM 2025 OE2 GLU A 127 23.579 -3.720 4.088 1.00 23.43 O ATOM 0 H GLU A 127 20.997 -6.971 0.735 1.00 20.02 H new ATOM 0 HA GLU A 127 21.828 -8.254 2.351 1.00 3.43 H new ATOM 0 HB2 GLU A 127 21.214 -5.855 4.145 1.00 52.21 H new ATOM 0 HB3 GLU A 127 22.298 -7.169 4.558 1.00 52.21 H new ATOM 0 HG2 GLU A 127 23.754 -6.562 2.601 1.00 23.32 H new ATOM 0 HG3 GLU A 127 22.681 -5.226 2.232 1.00 23.32 H new ATOM 2032 N SER A 128 19.167 -9.022 2.720 1.00 14.34 N ATOM 2033 CA SER A 128 18.111 -9.950 3.217 1.00 32.21 C ATOM 2034 C SER A 128 16.987 -9.217 4.013 1.00 74.43 C ATOM 2035 O SER A 128 16.212 -9.855 4.725 1.00 41.21 O ATOM 2036 CB SER A 128 18.761 -11.103 4.043 1.00 40.42 C ATOM 2037 OG SER A 128 17.820 -12.072 4.468 1.00 3.24 O ATOM 0 H SER A 128 19.163 -8.921 1.705 1.00 14.34 H new ATOM 0 HA SER A 128 17.614 -10.384 2.349 1.00 32.21 H new ATOM 0 HB2 SER A 128 19.528 -11.588 3.439 1.00 40.42 H new ATOM 0 HB3 SER A 128 19.261 -10.682 4.915 1.00 40.42 H new ATOM 0 HG SER A 128 17.411 -11.784 5.311 1.00 3.24 H new ATOM 2043 N ALA A 129 16.875 -7.883 3.823 1.00 24.31 N ATOM 2044 CA ALA A 129 15.845 -7.028 4.491 1.00 64.13 C ATOM 2045 C ALA A 129 14.395 -7.545 4.272 1.00 23.21 C ATOM 2046 O ALA A 129 13.584 -7.588 5.210 1.00 30.03 O ATOM 2047 CB ALA A 129 15.970 -5.577 3.990 1.00 4.44 C ATOM 0 H ALA A 129 17.493 -7.360 3.203 1.00 24.31 H new ATOM 0 HA ALA A 129 16.036 -7.073 5.563 1.00 64.13 H new ATOM 0 HB1 ALA A 129 15.218 -4.957 4.479 1.00 4.44 H new ATOM 0 HB2 ALA A 129 16.964 -5.195 4.225 1.00 4.44 H new ATOM 0 HB3 ALA A 129 15.817 -5.550 2.911 1.00 4.44 H new ATOM 2053 N ALA A 130 14.096 -7.945 3.026 1.00 72.21 N ATOM 2054 CA ALA A 130 12.771 -8.485 2.642 1.00 22.34 C ATOM 2055 C ALA A 130 12.504 -9.870 3.247 1.00 34.31 C ATOM 2056 O ALA A 130 11.374 -10.180 3.621 1.00 32.43 O ATOM 2057 CB ALA A 130 12.657 -8.544 1.125 1.00 1.12 C ATOM 0 H ALA A 130 14.761 -7.906 2.254 1.00 72.21 H new ATOM 0 HA ALA A 130 12.015 -7.810 3.044 1.00 22.34 H new ATOM 0 HB1 ALA A 130 11.681 -8.942 0.849 1.00 1.12 H new ATOM 0 HB2 ALA A 130 12.770 -7.542 0.712 1.00 1.12 H new ATOM 0 HB3 ALA A 130 13.438 -9.191 0.726 1.00 1.12 H new ATOM 2063 N GLN A 131 13.556 -10.699 3.315 1.00 72.14 N ATOM 2064 CA GLN A 131 13.487 -12.024 3.967 1.00 52.41 C ATOM 2065 C GLN A 131 13.120 -11.894 5.460 1.00 42.52 C ATOM 2066 O GLN A 131 12.286 -12.638 5.959 1.00 42.00 O ATOM 2067 CB GLN A 131 14.827 -12.786 3.826 1.00 53.34 C ATOM 2068 CG GLN A 131 14.901 -14.123 4.605 1.00 63.12 C ATOM 2069 CD GLN A 131 13.906 -15.170 4.095 1.00 23.33 C ATOM 2070 OE1 GLN A 131 14.186 -15.917 3.165 1.00 63.43 O ATOM 2071 NE2 GLN A 131 12.745 -15.248 4.718 1.00 10.21 N ATOM 0 H GLN A 131 14.472 -10.477 2.925 1.00 72.14 H new ATOM 0 HA GLN A 131 12.705 -12.590 3.462 1.00 52.41 H new ATOM 0 HB2 GLN A 131 15.005 -12.987 2.770 1.00 53.34 H new ATOM 0 HB3 GLN A 131 15.634 -12.138 4.167 1.00 53.34 H new ATOM 0 HG2 GLN A 131 15.912 -14.524 4.531 1.00 63.12 H new ATOM 0 HG3 GLN A 131 14.710 -13.933 5.661 1.00 63.12 H new ATOM 0 HE21 GLN A 131 12.537 -14.614 5.489 1.00 10.21 H new ATOM 0 HE22 GLN A 131 12.056 -15.942 4.428 1.00 10.21 H new ATOM 2080 N GLN A 132 13.750 -10.944 6.163 1.00 11.53 N ATOM 2081 CA GLN A 132 13.455 -10.696 7.592 1.00 15.20 C ATOM 2082 C GLN A 132 11.990 -10.200 7.800 1.00 5.33 C ATOM 2083 O GLN A 132 11.385 -10.448 8.853 1.00 10.11 O ATOM 2084 CB GLN A 132 14.502 -9.722 8.215 1.00 13.22 C ATOM 2085 CG GLN A 132 15.777 -10.414 8.768 1.00 41.35 C ATOM 2086 CD GLN A 132 16.602 -11.182 7.723 1.00 12.22 C ATOM 2087 OE1 GLN A 132 17.526 -10.644 7.129 1.00 71.43 O ATOM 2088 NE2 GLN A 132 16.259 -12.436 7.472 1.00 24.42 N ATOM 0 H GLN A 132 14.467 -10.332 5.772 1.00 11.53 H new ATOM 0 HA GLN A 132 13.539 -11.645 8.122 1.00 15.20 H new ATOM 0 HB2 GLN A 132 14.798 -8.995 7.459 1.00 13.22 H new ATOM 0 HB3 GLN A 132 14.026 -9.166 9.023 1.00 13.22 H new ATOM 0 HG2 GLN A 132 16.413 -9.657 9.227 1.00 41.35 H new ATOM 0 HG3 GLN A 132 15.484 -11.106 9.558 1.00 41.35 H new ATOM 0 HE21 GLN A 132 15.485 -12.864 7.980 1.00 24.42 H new ATOM 0 HE22 GLN A 132 16.769 -12.974 6.771 1.00 24.42 H new ATOM 2097 N ALA A 133 11.433 -9.516 6.779 1.00 12.43 N ATOM 2098 CA ALA A 133 9.990 -9.164 6.730 1.00 4.11 C ATOM 2099 C ALA A 133 9.108 -10.434 6.572 1.00 51.13 C ATOM 2100 O ALA A 133 8.038 -10.542 7.180 1.00 53.55 O ATOM 2101 CB ALA A 133 9.722 -8.162 5.590 1.00 1.22 C ATOM 0 H ALA A 133 11.962 -9.192 5.969 1.00 12.43 H new ATOM 0 HA ALA A 133 9.722 -8.692 7.675 1.00 4.11 H new ATOM 0 HB1 ALA A 133 8.661 -7.913 5.566 1.00 1.22 H new ATOM 0 HB2 ALA A 133 10.304 -7.256 5.758 1.00 1.22 H new ATOM 0 HB3 ALA A 133 10.012 -8.608 4.638 1.00 1.22 H new ATOM 2107 N ILE A 134 9.580 -11.390 5.748 1.00 33.42 N ATOM 2108 CA ILE A 134 8.941 -12.724 5.579 1.00 73.33 C ATOM 2109 C ILE A 134 8.974 -13.519 6.911 1.00 2.13 C ATOM 2110 O ILE A 134 8.009 -14.207 7.261 1.00 14.14 O ATOM 2111 CB ILE A 134 9.659 -13.550 4.436 1.00 64.40 C ATOM 2112 CG1 ILE A 134 9.567 -12.806 3.069 1.00 51.31 C ATOM 2113 CG2 ILE A 134 9.118 -14.996 4.315 1.00 4.45 C ATOM 2114 CD1 ILE A 134 8.156 -12.569 2.561 1.00 31.30 C ATOM 0 H ILE A 134 10.416 -11.266 5.177 1.00 33.42 H new ATOM 0 HA ILE A 134 7.902 -12.565 5.292 1.00 73.33 H new ATOM 0 HB ILE A 134 10.709 -13.630 4.719 1.00 64.40 H new ATOM 0 HG12 ILE A 134 10.070 -11.843 3.162 1.00 51.31 H new ATOM 0 HG13 ILE A 134 10.114 -13.381 2.322 1.00 51.31 H new ATOM 0 HG21 ILE A 134 9.646 -15.516 3.516 1.00 4.45 H new ATOM 0 HG22 ILE A 134 9.274 -15.523 5.256 1.00 4.45 H new ATOM 0 HG23 ILE A 134 8.052 -14.968 4.088 1.00 4.45 H new ATOM 0 HD11 ILE A 134 8.196 -12.046 1.606 1.00 31.30 H new ATOM 0 HD12 ILE A 134 7.651 -13.526 2.430 1.00 31.30 H new ATOM 0 HD13 ILE A 134 7.606 -11.965 3.283 1.00 31.30 H new ATOM 2126 N ASP A 135 10.079 -13.374 7.664 1.00 1.15 N ATOM 2127 CA ASP A 135 10.253 -14.017 8.985 1.00 61.22 C ATOM 2128 C ASP A 135 9.354 -13.352 10.061 1.00 31.12 C ATOM 2129 O ASP A 135 9.051 -13.962 11.090 1.00 13.14 O ATOM 2130 CB ASP A 135 11.745 -13.990 9.403 1.00 51.23 C ATOM 2131 CG ASP A 135 12.670 -14.709 8.395 1.00 40.32 C ATOM 2132 OD1 ASP A 135 12.298 -15.797 7.897 1.00 3.40 O ATOM 2133 OD2 ASP A 135 13.778 -14.198 8.107 1.00 3.25 O ATOM 0 H ASP A 135 10.878 -12.809 7.377 1.00 1.15 H new ATOM 0 HA ASP A 135 9.939 -15.057 8.902 1.00 61.22 H new ATOM 0 HB2 ASP A 135 12.068 -12.954 9.509 1.00 51.23 H new ATOM 0 HB3 ASP A 135 11.851 -14.458 10.382 1.00 51.23 H new ATOM 2138 N MET A 136 8.943 -12.095 9.812 1.00 62.31 N ATOM 2139 CA MET A 136 7.909 -11.412 10.624 1.00 34.34 C ATOM 2140 C MET A 136 6.498 -11.941 10.232 1.00 20.22 C ATOM 2141 O MET A 136 5.595 -12.032 11.073 1.00 34.35 O ATOM 2142 CB MET A 136 8.020 -9.869 10.414 1.00 11.13 C ATOM 2143 CG MET A 136 7.198 -8.990 11.383 1.00 30.21 C ATOM 2144 SD MET A 136 5.404 -9.083 11.142 1.00 41.43 S ATOM 2145 CE MET A 136 5.201 -8.421 9.487 1.00 75.42 C ATOM 0 H MET A 136 9.312 -11.525 9.051 1.00 62.31 H new ATOM 0 HA MET A 136 8.064 -11.624 11.682 1.00 34.34 H new ATOM 0 HB2 MET A 136 9.069 -9.586 10.500 1.00 11.13 H new ATOM 0 HB3 MET A 136 7.710 -9.638 9.395 1.00 11.13 H new ATOM 0 HG2 MET A 136 7.430 -9.284 12.407 1.00 30.21 H new ATOM 0 HG3 MET A 136 7.514 -7.953 11.270 1.00 30.21 H new ATOM 0 HE1 MET A 136 4.155 -8.159 9.326 1.00 75.42 H new ATOM 0 HE2 MET A 136 5.820 -7.531 9.373 1.00 75.42 H new ATOM 0 HE3 MET A 136 5.504 -9.170 8.756 1.00 75.42 H new ATOM 2155 N GLY A 137 6.352 -12.338 8.951 1.00 32.22 N ATOM 2156 CA GLY A 137 5.083 -12.853 8.407 1.00 55.43 C ATOM 2157 C GLY A 137 4.306 -11.801 7.618 1.00 41.30 C ATOM 2158 O GLY A 137 3.077 -11.719 7.718 1.00 63.33 O ATOM 0 H GLY A 137 7.109 -12.310 8.268 1.00 32.22 H new ATOM 0 HA2 GLY A 137 5.290 -13.706 7.760 1.00 55.43 H new ATOM 0 HA3 GLY A 137 4.463 -13.217 9.226 1.00 55.43 H new ATOM 2162 N VAL A 138 5.035 -11.004 6.813 1.00 45.34 N ATOM 2163 CA VAL A 138 4.455 -9.896 6.014 1.00 42.03 C ATOM 2164 C VAL A 138 3.572 -10.412 4.839 1.00 54.12 C ATOM 2165 O VAL A 138 2.779 -9.663 4.293 1.00 4.42 O ATOM 2166 CB VAL A 138 5.595 -8.952 5.472 1.00 70.54 C ATOM 2167 CG1 VAL A 138 6.373 -9.621 4.319 1.00 25.12 C ATOM 2168 CG2 VAL A 138 5.049 -7.560 5.062 1.00 13.53 C ATOM 0 H VAL A 138 6.043 -11.106 6.695 1.00 45.34 H new ATOM 0 HA VAL A 138 3.805 -9.327 6.679 1.00 42.03 H new ATOM 0 HB VAL A 138 6.296 -8.787 6.291 1.00 70.54 H new ATOM 0 HG11 VAL A 138 7.152 -8.946 3.966 1.00 25.12 H new ATOM 0 HG12 VAL A 138 6.828 -10.545 4.675 1.00 25.12 H new ATOM 0 HG13 VAL A 138 5.689 -9.845 3.500 1.00 25.12 H new ATOM 0 HG21 VAL A 138 5.868 -6.942 4.694 1.00 13.53 H new ATOM 0 HG22 VAL A 138 4.303 -7.679 4.276 1.00 13.53 H new ATOM 0 HG23 VAL A 138 4.592 -7.079 5.927 1.00 13.53 H new ATOM 2178 N GLU A 139 3.732 -11.694 4.453 1.00 43.02 N ATOM 2179 CA GLU A 139 2.845 -12.352 3.455 1.00 43.21 C ATOM 2180 C GLU A 139 1.397 -12.442 3.999 1.00 4.30 C ATOM 2181 O GLU A 139 0.432 -12.112 3.303 1.00 1.40 O ATOM 2182 CB GLU A 139 3.394 -13.758 3.106 1.00 52.41 C ATOM 2183 CG GLU A 139 4.779 -13.729 2.434 1.00 55.24 C ATOM 2184 CD GLU A 139 5.412 -15.122 2.274 1.00 53.11 C ATOM 2185 OE1 GLU A 139 5.953 -15.643 3.269 1.00 50.24 O ATOM 2186 OE2 GLU A 139 5.368 -15.703 1.167 1.00 12.33 O ATOM 0 H GLU A 139 4.468 -12.301 4.815 1.00 43.02 H new ATOM 0 HA GLU A 139 2.827 -11.753 2.544 1.00 43.21 H new ATOM 0 HB2 GLU A 139 3.454 -14.352 4.018 1.00 52.41 H new ATOM 0 HB3 GLU A 139 2.689 -14.260 2.444 1.00 52.41 H new ATOM 0 HG2 GLU A 139 4.688 -13.265 1.452 1.00 55.24 H new ATOM 0 HG3 GLU A 139 5.447 -13.100 3.023 1.00 55.24 H new ATOM 2193 N THR A 140 1.280 -12.866 5.270 1.00 11.23 N ATOM 2194 CA THR A 140 0.002 -12.885 6.011 1.00 45.31 C ATOM 2195 C THR A 140 -0.471 -11.446 6.329 1.00 74.45 C ATOM 2196 O THR A 140 -1.654 -11.136 6.199 1.00 1.40 O ATOM 2197 CB THR A 140 0.141 -13.681 7.353 1.00 34.00 C ATOM 2198 OG1 THR A 140 0.653 -14.993 7.091 1.00 64.13 O ATOM 2199 CG2 THR A 140 -1.194 -13.803 8.113 1.00 52.43 C ATOM 0 H THR A 140 2.071 -13.207 5.816 1.00 11.23 H new ATOM 0 HA THR A 140 -0.733 -13.378 5.375 1.00 45.31 H new ATOM 0 HB THR A 140 0.830 -13.119 7.983 1.00 34.00 H new ATOM 0 HG1 THR A 140 0.739 -15.485 7.934 1.00 64.13 H new ATOM 0 HG21 THR A 140 -1.038 -14.364 9.035 1.00 52.43 H new ATOM 0 HG22 THR A 140 -1.568 -12.808 8.353 1.00 52.43 H new ATOM 0 HG23 THR A 140 -1.921 -14.324 7.490 1.00 52.43 H new ATOM 2207 N GLY A 141 0.478 -10.586 6.750 1.00 41.43 N ATOM 2208 CA GLY A 141 0.188 -9.187 7.119 1.00 61.50 C ATOM 2209 C GLY A 141 -0.421 -8.363 5.976 1.00 75.30 C ATOM 2210 O GLY A 141 -1.465 -7.727 6.152 1.00 34.33 O ATOM 0 H GLY A 141 1.461 -10.840 6.843 1.00 41.43 H new ATOM 0 HA2 GLY A 141 -0.497 -9.178 7.967 1.00 61.50 H new ATOM 0 HA3 GLY A 141 1.110 -8.709 7.449 1.00 61.50 H new ATOM 2214 N MET A 142 0.230 -8.405 4.796 1.00 41.32 N ATOM 2215 CA MET A 142 -0.273 -7.766 3.558 1.00 43.33 C ATOM 2216 C MET A 142 -1.647 -8.339 3.164 1.00 3.33 C ATOM 2217 O MET A 142 -2.586 -7.581 2.974 1.00 33.12 O ATOM 2218 CB MET A 142 0.727 -7.934 2.373 1.00 75.55 C ATOM 2219 CG MET A 142 2.012 -7.112 2.501 1.00 31.20 C ATOM 2220 SD MET A 142 3.112 -7.342 1.083 1.00 1.34 S ATOM 2221 CE MET A 142 4.446 -6.208 1.467 1.00 44.21 C ATOM 0 H MET A 142 1.122 -8.884 4.672 1.00 41.32 H new ATOM 0 HA MET A 142 -0.376 -6.701 3.768 1.00 43.33 H new ATOM 0 HB2 MET A 142 0.993 -8.988 2.286 1.00 75.55 H new ATOM 0 HB3 MET A 142 0.223 -7.655 1.448 1.00 75.55 H new ATOM 0 HG2 MET A 142 1.758 -6.056 2.595 1.00 31.20 H new ATOM 0 HG3 MET A 142 2.534 -7.397 3.414 1.00 31.20 H new ATOM 0 HE1 MET A 142 5.132 -6.153 0.622 1.00 44.21 H new ATOM 0 HE2 MET A 142 4.036 -5.218 1.666 1.00 44.21 H new ATOM 0 HE3 MET A 142 4.983 -6.562 2.347 1.00 44.21 H new ATOM 2231 N ASN A 143 -1.757 -9.687 3.095 1.00 74.33 N ATOM 2232 CA ASN A 143 -2.992 -10.382 2.636 1.00 71.42 C ATOM 2233 C ASN A 143 -4.218 -10.002 3.492 1.00 55.42 C ATOM 2234 O ASN A 143 -5.262 -9.653 2.953 1.00 24.24 O ATOM 2235 CB ASN A 143 -2.789 -11.925 2.647 1.00 44.02 C ATOM 2236 CG ASN A 143 -3.822 -12.708 1.806 1.00 2.02 C ATOM 2237 OD1 ASN A 143 -4.973 -12.309 1.641 1.00 75.15 O ATOM 2238 ND2 ASN A 143 -3.413 -13.839 1.261 1.00 21.14 N ATOM 0 H ASN A 143 -1.002 -10.322 3.353 1.00 74.33 H new ATOM 0 HA ASN A 143 -3.186 -10.055 1.614 1.00 71.42 H new ATOM 0 HB2 ASN A 143 -1.789 -12.151 2.276 1.00 44.02 H new ATOM 0 HB3 ASN A 143 -2.834 -12.278 3.677 1.00 44.02 H new ATOM 0 HD21 ASN A 143 -4.055 -14.394 0.695 1.00 21.14 H new ATOM 0 HD22 ASN A 143 -2.455 -14.158 1.406 1.00 21.14 H new ATOM 2245 N SER A 144 -4.058 -10.060 4.824 1.00 41.33 N ATOM 2246 CA SER A 144 -5.122 -9.716 5.802 1.00 60.14 C ATOM 2247 C SER A 144 -5.602 -8.257 5.641 1.00 64.13 C ATOM 2248 O SER A 144 -6.805 -7.985 5.669 1.00 51.12 O ATOM 2249 CB SER A 144 -4.624 -9.942 7.246 1.00 23.34 C ATOM 2250 OG SER A 144 -4.256 -11.297 7.453 1.00 4.13 O ATOM 0 H SER A 144 -3.184 -10.348 5.263 1.00 41.33 H new ATOM 0 HA SER A 144 -5.967 -10.374 5.602 1.00 60.14 H new ATOM 0 HB2 SER A 144 -3.769 -9.295 7.445 1.00 23.34 H new ATOM 0 HB3 SER A 144 -5.406 -9.662 7.952 1.00 23.34 H new ATOM 0 HG SER A 144 -3.370 -11.458 7.066 1.00 4.13 H new ATOM 2256 N THR A 145 -4.641 -7.335 5.446 1.00 60.43 N ATOM 2257 CA THR A 145 -4.931 -5.900 5.213 1.00 75.43 C ATOM 2258 C THR A 145 -5.564 -5.681 3.802 1.00 4.53 C ATOM 2259 O THR A 145 -6.347 -4.751 3.592 1.00 41.32 O ATOM 2260 CB THR A 145 -3.633 -5.036 5.392 1.00 21.14 C ATOM 2261 OG1 THR A 145 -3.001 -5.372 6.641 1.00 70.24 O ATOM 2262 CG2 THR A 145 -3.917 -3.523 5.393 1.00 4.21 C ATOM 0 H THR A 145 -3.646 -7.558 5.445 1.00 60.43 H new ATOM 0 HA THR A 145 -5.658 -5.574 5.957 1.00 75.43 H new ATOM 0 HB THR A 145 -2.988 -5.260 4.542 1.00 21.14 H new ATOM 0 HG1 THR A 145 -2.459 -6.181 6.526 1.00 70.24 H new ATOM 0 HG21 THR A 145 -2.982 -2.977 5.520 1.00 4.21 H new ATOM 0 HG22 THR A 145 -4.377 -3.239 4.447 1.00 4.21 H new ATOM 0 HG23 THR A 145 -4.593 -3.280 6.213 1.00 4.21 H new ATOM 2270 N LEU A 146 -5.230 -6.576 2.849 1.00 31.30 N ATOM 2271 CA LEU A 146 -5.854 -6.614 1.506 1.00 51.41 C ATOM 2272 C LEU A 146 -7.257 -7.281 1.535 1.00 53.33 C ATOM 2273 O LEU A 146 -8.031 -7.103 0.600 1.00 11.13 O ATOM 2274 CB LEU A 146 -4.935 -7.281 0.443 1.00 75.44 C ATOM 2275 CG LEU A 146 -3.566 -6.565 0.146 1.00 22.11 C ATOM 2276 CD1 LEU A 146 -2.901 -7.126 -1.121 1.00 22.02 C ATOM 2277 CD2 LEU A 146 -3.709 -5.037 0.038 1.00 42.22 C ATOM 0 H LEU A 146 -4.519 -7.294 2.987 1.00 31.30 H new ATOM 0 HA LEU A 146 -5.990 -5.575 1.204 1.00 51.41 H new ATOM 0 HB2 LEU A 146 -4.723 -8.300 0.767 1.00 75.44 H new ATOM 0 HB3 LEU A 146 -5.492 -7.353 -0.491 1.00 75.44 H new ATOM 0 HG LEU A 146 -2.923 -6.775 1.001 1.00 22.11 H new ATOM 0 HD11 LEU A 146 -1.958 -6.609 -1.296 1.00 22.02 H new ATOM 0 HD12 LEU A 146 -2.712 -8.192 -0.991 1.00 22.02 H new ATOM 0 HD13 LEU A 146 -3.561 -6.976 -1.975 1.00 22.02 H new ATOM 0 HD21 LEU A 146 -2.735 -4.594 -0.168 1.00 42.22 H new ATOM 0 HD22 LEU A 146 -4.397 -4.792 -0.771 1.00 42.22 H new ATOM 0 HD23 LEU A 146 -4.097 -4.641 0.976 1.00 42.22 H new ATOM 2289 N ASN A 147 -7.556 -8.102 2.572 1.00 34.04 N ATOM 2290 CA ASN A 147 -8.943 -8.574 2.842 1.00 11.04 C ATOM 2291 C ASN A 147 -9.790 -7.420 3.429 1.00 31.43 C ATOM 2292 O ASN A 147 -10.998 -7.359 3.194 1.00 2.12 O ATOM 2293 CB ASN A 147 -8.982 -9.797 3.802 1.00 54.35 C ATOM 2294 CG ASN A 147 -8.507 -11.099 3.148 1.00 43.42 C ATOM 2295 OD1 ASN A 147 -9.276 -11.804 2.509 1.00 64.34 O ATOM 2296 ND2 ASN A 147 -7.257 -11.449 3.325 1.00 43.24 N ATOM 0 H ASN A 147 -6.862 -8.451 3.233 1.00 34.04 H new ATOM 0 HA ASN A 147 -9.362 -8.897 1.889 1.00 11.04 H new ATOM 0 HB2 ASN A 147 -8.359 -9.587 4.671 1.00 54.35 H new ATOM 0 HB3 ASN A 147 -10.001 -9.932 4.165 1.00 54.35 H new ATOM 0 HD21 ASN A 147 -6.911 -12.322 2.927 1.00 43.24 H new ATOM 0 HD22 ASN A 147 -6.630 -10.849 3.861 1.00 43.24 H new ATOM 2303 N GLN A 148 -9.143 -6.517 4.206 1.00 55.24 N ATOM 2304 CA GLN A 148 -9.781 -5.253 4.669 1.00 12.10 C ATOM 2305 C GLN A 148 -10.068 -4.344 3.452 1.00 1.53 C ATOM 2306 O GLN A 148 -11.093 -3.663 3.394 1.00 23.55 O ATOM 2307 CB GLN A 148 -8.882 -4.489 5.693 1.00 51.44 C ATOM 2308 CG GLN A 148 -8.341 -5.337 6.866 1.00 64.54 C ATOM 2309 CD GLN A 148 -9.415 -6.003 7.731 1.00 63.51 C ATOM 2310 OE1 GLN A 148 -10.506 -5.479 7.920 1.00 4.33 O ATOM 2311 NE2 GLN A 148 -9.121 -7.186 8.245 1.00 61.22 N ATOM 0 H GLN A 148 -8.182 -6.637 4.526 1.00 55.24 H new ATOM 0 HA GLN A 148 -10.712 -5.513 5.173 1.00 12.10 H new ATOM 0 HB2 GLN A 148 -8.035 -4.060 5.157 1.00 51.44 H new ATOM 0 HB3 GLN A 148 -9.455 -3.657 6.103 1.00 51.44 H new ATOM 0 HG2 GLN A 148 -7.688 -6.111 6.464 1.00 64.54 H new ATOM 0 HG3 GLN A 148 -7.727 -4.700 7.502 1.00 64.54 H new ATOM 0 HE21 GLN A 148 -8.206 -7.603 8.074 1.00 61.22 H new ATOM 0 HE22 GLN A 148 -9.809 -7.681 8.812 1.00 61.22 H new ATOM 2320 N LEU A 149 -9.124 -4.366 2.487 1.00 42.32 N ATOM 2321 CA LEU A 149 -9.224 -3.643 1.208 1.00 3.50 C ATOM 2322 C LEU A 149 -10.315 -4.233 0.293 1.00 33.23 C ATOM 2323 O LEU A 149 -11.068 -3.491 -0.327 1.00 33.51 O ATOM 2324 CB LEU A 149 -7.840 -3.649 0.497 1.00 1.32 C ATOM 2325 CG LEU A 149 -7.769 -2.962 -0.901 1.00 23.54 C ATOM 2326 CD1 LEU A 149 -8.305 -1.530 -0.836 1.00 23.32 C ATOM 2327 CD2 LEU A 149 -6.336 -2.981 -1.474 1.00 73.00 C ATOM 0 H LEU A 149 -8.258 -4.897 2.580 1.00 42.32 H new ATOM 0 HA LEU A 149 -9.516 -2.615 1.421 1.00 3.50 H new ATOM 0 HB2 LEU A 149 -7.118 -3.162 1.153 1.00 1.32 H new ATOM 0 HB3 LEU A 149 -7.520 -4.685 0.384 1.00 1.32 H new ATOM 0 HG LEU A 149 -8.403 -3.536 -1.577 1.00 23.54 H new ATOM 0 HD11 LEU A 149 -8.244 -1.074 -1.824 1.00 23.32 H new ATOM 0 HD12 LEU A 149 -9.344 -1.545 -0.506 1.00 23.32 H new ATOM 0 HD13 LEU A 149 -7.709 -0.950 -0.131 1.00 23.32 H new ATOM 0 HD21 LEU A 149 -6.327 -2.493 -2.449 1.00 73.00 H new ATOM 0 HD22 LEU A 149 -5.666 -2.451 -0.797 1.00 73.00 H new ATOM 0 HD23 LEU A 149 -6.001 -4.013 -1.582 1.00 73.00 H new ATOM 2339 N GLU A 150 -10.399 -5.564 0.218 1.00 61.43 N ATOM 2340 CA GLU A 150 -11.412 -6.247 -0.614 1.00 34.02 C ATOM 2341 C GLU A 150 -12.834 -5.970 -0.068 1.00 4.21 C ATOM 2342 O GLU A 150 -13.714 -5.569 -0.817 1.00 0.32 O ATOM 2343 CB GLU A 150 -11.114 -7.762 -0.688 1.00 60.13 C ATOM 2344 CG GLU A 150 -12.067 -8.567 -1.596 1.00 3.03 C ATOM 2345 CD GLU A 150 -11.653 -10.039 -1.748 1.00 72.23 C ATOM 2346 OE1 GLU A 150 -11.678 -10.779 -0.740 1.00 71.45 O ATOM 2347 OE2 GLU A 150 -11.273 -10.456 -2.861 1.00 63.44 O ATOM 0 H GLU A 150 -9.779 -6.198 0.722 1.00 61.43 H new ATOM 0 HA GLU A 150 -11.365 -5.851 -1.628 1.00 34.02 H new ATOM 0 HB2 GLU A 150 -10.093 -7.900 -1.044 1.00 60.13 H new ATOM 0 HB3 GLU A 150 -11.159 -8.176 0.319 1.00 60.13 H new ATOM 0 HG2 GLU A 150 -13.076 -8.520 -1.186 1.00 3.03 H new ATOM 0 HG3 GLU A 150 -12.101 -8.101 -2.581 1.00 3.03 H new ATOM 2354 N LYS A 151 -13.007 -6.138 1.254 1.00 71.33 N ATOM 2355 CA LYS A 151 -14.247 -5.780 1.997 1.00 2.25 C ATOM 2356 C LYS A 151 -14.683 -4.309 1.725 1.00 12.33 C ATOM 2357 O LYS A 151 -15.863 -4.024 1.475 1.00 51.03 O ATOM 2358 CB LYS A 151 -13.980 -5.985 3.509 1.00 42.32 C ATOM 2359 CG LYS A 151 -15.129 -5.569 4.451 1.00 13.32 C ATOM 2360 CD LYS A 151 -14.738 -5.652 5.948 1.00 13.12 C ATOM 2361 CE LYS A 151 -13.592 -4.688 6.326 1.00 24.23 C ATOM 2362 NZ LYS A 151 -13.192 -4.821 7.748 1.00 32.22 N ATOM 0 H LYS A 151 -12.283 -6.532 1.854 1.00 71.33 H new ATOM 0 HA LYS A 151 -15.061 -6.421 1.657 1.00 2.25 H new ATOM 0 HB2 LYS A 151 -13.756 -7.038 3.681 1.00 42.32 H new ATOM 0 HB3 LYS A 151 -13.088 -5.421 3.782 1.00 42.32 H new ATOM 0 HG2 LYS A 151 -15.434 -4.549 4.216 1.00 13.32 H new ATOM 0 HG3 LYS A 151 -15.992 -6.210 4.269 1.00 13.32 H new ATOM 0 HD2 LYS A 151 -15.612 -5.426 6.559 1.00 13.12 H new ATOM 0 HD3 LYS A 151 -14.439 -6.673 6.184 1.00 13.12 H new ATOM 0 HE2 LYS A 151 -12.730 -4.884 5.688 1.00 24.23 H new ATOM 0 HE3 LYS A 151 -13.905 -3.662 6.133 1.00 24.23 H new ATOM 0 HZ1 LYS A 151 -13.345 -3.916 8.238 1.00 32.22 H new ATOM 0 HZ2 LYS A 151 -13.764 -5.561 8.202 1.00 32.22 H new ATOM 0 HZ3 LYS A 151 -12.186 -5.079 7.803 1.00 32.22 H new ATOM 2376 N LEU A 152 -13.695 -3.402 1.796 1.00 34.31 N ATOM 2377 CA LEU A 152 -13.842 -1.970 1.443 1.00 72.44 C ATOM 2378 C LEU A 152 -14.423 -1.769 0.013 1.00 33.20 C ATOM 2379 O LEU A 152 -15.408 -1.052 -0.171 1.00 21.14 O ATOM 2380 CB LEU A 152 -12.446 -1.293 1.563 1.00 1.03 C ATOM 2381 CG LEU A 152 -12.280 0.120 0.921 1.00 1.12 C ATOM 2382 CD1 LEU A 152 -13.241 1.145 1.542 1.00 23.23 C ATOM 2383 CD2 LEU A 152 -10.820 0.590 1.012 1.00 50.25 C ATOM 0 H LEU A 152 -12.753 -3.642 2.105 1.00 34.31 H new ATOM 0 HA LEU A 152 -14.552 -1.512 2.131 1.00 72.44 H new ATOM 0 HB2 LEU A 152 -12.199 -1.214 2.622 1.00 1.03 H new ATOM 0 HB3 LEU A 152 -11.709 -1.957 1.112 1.00 1.03 H new ATOM 0 HG LEU A 152 -12.543 0.038 -0.134 1.00 1.12 H new ATOM 0 HD11 LEU A 152 -13.094 2.115 1.068 1.00 23.23 H new ATOM 0 HD12 LEU A 152 -14.270 0.819 1.389 1.00 23.23 H new ATOM 0 HD13 LEU A 152 -13.042 1.229 2.610 1.00 23.23 H new ATOM 0 HD21 LEU A 152 -10.727 1.577 0.559 1.00 50.25 H new ATOM 0 HD22 LEU A 152 -10.519 0.641 2.058 1.00 50.25 H new ATOM 0 HD23 LEU A 152 -10.177 -0.114 0.484 1.00 50.25 H new ATOM 2395 N LEU A 153 -13.797 -2.424 -0.974 1.00 64.03 N ATOM 2396 CA LEU A 153 -14.136 -2.262 -2.411 1.00 32.35 C ATOM 2397 C LEU A 153 -15.400 -3.064 -2.812 1.00 42.23 C ATOM 2398 O LEU A 153 -15.984 -2.829 -3.874 1.00 11.34 O ATOM 2399 CB LEU A 153 -12.914 -2.676 -3.258 1.00 35.01 C ATOM 2400 CG LEU A 153 -11.603 -1.892 -2.937 1.00 63.23 C ATOM 2401 CD1 LEU A 153 -10.395 -2.504 -3.658 1.00 43.31 C ATOM 2402 CD2 LEU A 153 -11.753 -0.382 -3.240 1.00 4.14 C ATOM 0 H LEU A 153 -13.038 -3.085 -0.807 1.00 64.03 H new ATOM 0 HA LEU A 153 -14.375 -1.215 -2.598 1.00 32.35 H new ATOM 0 HB2 LEU A 153 -12.730 -3.740 -3.110 1.00 35.01 H new ATOM 0 HB3 LEU A 153 -13.156 -2.537 -4.312 1.00 35.01 H new ATOM 0 HG LEU A 153 -11.419 -1.984 -1.866 1.00 63.23 H new ATOM 0 HD11 LEU A 153 -9.498 -1.935 -3.413 1.00 43.31 H new ATOM 0 HD12 LEU A 153 -10.266 -3.538 -3.339 1.00 43.31 H new ATOM 0 HD13 LEU A 153 -10.561 -2.475 -4.735 1.00 43.31 H new ATOM 0 HD21 LEU A 153 -10.821 0.131 -3.004 1.00 4.14 H new ATOM 0 HD22 LEU A 153 -11.986 -0.244 -4.296 1.00 4.14 H new ATOM 0 HD23 LEU A 153 -12.558 0.033 -2.634 1.00 4.14 H new ATOM 2414 N ASN A 154 -15.803 -4.015 -1.953 1.00 72.55 N ATOM 2415 CA ASN A 154 -17.111 -4.699 -2.054 1.00 2.23 C ATOM 2416 C ASN A 154 -18.248 -3.748 -1.597 1.00 70.12 C ATOM 2417 O ASN A 154 -19.395 -3.905 -2.025 1.00 34.21 O ATOM 2418 CB ASN A 154 -17.113 -6.001 -1.210 1.00 2.41 C ATOM 2419 CG ASN A 154 -16.322 -7.174 -1.817 1.00 4.03 C ATOM 2420 OD1 ASN A 154 -15.266 -6.904 -2.554 1.00 62.31 O flip ATOM 2421 ND2 ASN A 154 -16.655 -8.334 -1.600 1.00 50.41 N flip ATOM 0 H ASN A 154 -15.235 -4.334 -1.168 1.00 72.55 H new ATOM 0 HA ASN A 154 -17.283 -4.970 -3.096 1.00 2.23 H new ATOM 0 HB2 ASN A 154 -16.703 -5.778 -0.225 1.00 2.41 H new ATOM 0 HB3 ASN A 154 -18.145 -6.318 -1.061 1.00 2.41 H new ATOM 0 HD21 ASN A 154 -17.476 -8.530 -1.027 1.00 50.41 H new ATOM 0 HD22 ASN A 154 -16.111 -9.103 -1.992 1.00 50.41 H new ATOM 2428 N GLN A 155 -17.889 -2.779 -0.714 1.00 11.25 N ATOM 2429 CA GLN A 155 -18.760 -1.666 -0.248 1.00 14.22 C ATOM 2430 C GLN A 155 -20.033 -2.154 0.497 1.00 60.13 C ATOM 2431 O GLN A 155 -20.961 -2.691 -0.123 1.00 15.33 O ATOM 2432 CB GLN A 155 -19.112 -0.697 -1.417 1.00 30.13 C ATOM 2433 CG GLN A 155 -17.886 -0.003 -2.048 1.00 62.11 C ATOM 2434 CD GLN A 155 -18.261 1.043 -3.092 1.00 75.25 C ATOM 2435 OE1 GLN A 155 -18.387 0.745 -4.272 1.00 40.22 O ATOM 2436 NE2 GLN A 155 -18.454 2.278 -2.666 1.00 63.21 N ATOM 0 H GLN A 155 -16.960 -2.749 -0.295 1.00 11.25 H new ATOM 0 HA GLN A 155 -18.180 -1.110 0.489 1.00 14.22 H new ATOM 0 HB2 GLN A 155 -19.639 -1.254 -2.191 1.00 30.13 H new ATOM 0 HB3 GLN A 155 -19.799 0.065 -1.049 1.00 30.13 H new ATOM 0 HG2 GLN A 155 -17.300 0.472 -1.261 1.00 62.11 H new ATOM 0 HG3 GLN A 155 -17.248 -0.756 -2.510 1.00 62.11 H new ATOM 0 HE21 GLN A 155 -18.342 2.500 -1.677 1.00 63.21 H new ATOM 0 HE22 GLN A 155 -18.715 3.010 -3.326 1.00 63.21 H new