USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 873 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 61 THR OG1 : rot 180:sc= 0.0143 USER MOD Set 1.2: A 64 HIS : no HE2:sc= 0.0973 K(o=0.11,f=-5.6!) USER MOD Set 1.3: A 104 TYR OH : rot 150:sc= 0 USER MOD Set 2.1: A 66 HIS : no HD1:sc= -0.869 K(o=0.14,f=-0.59) USER MOD Set 2.2: A 95 GLN : amide:sc= 1.01 K(o=0.14,f=-1.4) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000866) USER MOD Single : A 28 HIS : no HE2:sc= 0.146 K(o=0.15,f=-1.6!) USER MOD Single : A 29 SER OG : rot -159:sc= 0.34 USER MOD Single : A 34 GLN : amide:sc= -0.0864 X(o=-0.086,f=0) USER MOD Single : A 35 SER OG : rot 88:sc= 0.00643 USER MOD Single : A 41 MET CE :methyl -167:sc= 0 (180deg=-0.0975) USER MOD Single : A 44 ASN : amide:sc= 0.937 K(o=0.94,f=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 79:sc= 1.25 USER MOD Single : A 71 MET CE :methyl -147:sc= -0.0936 (180deg=-0.412) USER MOD Single : A 75 GLN : amide:sc= 0.289 X(o=0.29,f=-0.04) USER MOD Single : A 77 SER OG : rot 94:sc= 1.22 USER MOD Single : A 79 SER OG : rot 68:sc= 0.93 USER MOD Single : A 85 THR OG1 : rot 140:sc= 0.0589 USER MOD Single : A 89 SER OG : rot -160:sc= 0.825 USER MOD Single : A 93 GLN : amide:sc= -0.228! X(o=-0.23!,f=0) USER MOD Single : A 98 SER OG : rot 180:sc= -0.07 USER MOD Single : A 109 SER OG : rot 88:sc= 0.459 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 ASN : amide:sc= -0.136 K(o=-0.14,f=-1) USER MOD Single : A 112 THR OG1 : rot -130:sc=-0.00437 USER MOD Single : A 114 SER OG : rot -51:sc= 0.017 USER MOD Single : A 117 ASN : amide:sc= -0.111 K(o=-0.11,f=-1.1) USER MOD Single : A 119 SER OG : rot -57:sc= 0.224 USER MOD Single : A 121 TYR OH : rot 30:sc= -0.0625 USER MOD Single : A 134 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 136 SER OG : rot 180:sc= 0.1 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 23 -0.268 27.563 -2.999 1.00 0.00 N ATOM 2 CA MET A 23 -0.668 26.152 -2.947 1.00 0.00 C ATOM 3 C MET A 23 -0.012 25.413 -4.100 1.00 0.00 C ATOM 4 O MET A 23 -0.060 25.871 -5.243 1.00 0.00 O ATOM 5 CB MET A 23 -2.194 26.002 -3.003 1.00 0.00 C ATOM 6 CG MET A 23 -2.604 24.528 -2.907 1.00 0.00 C ATOM 7 SD MET A 23 -4.385 24.233 -2.989 1.00 0.00 S ATOM 8 CE MET A 23 -4.819 24.504 -1.253 1.00 0.00 C ATOM 0 HA MET A 23 -0.338 25.723 -2.001 1.00 0.00 H new ATOM 0 HB2 MET A 23 -2.649 26.564 -2.187 1.00 0.00 H new ATOM 0 HB3 MET A 23 -2.571 26.429 -3.932 1.00 0.00 H new ATOM 0 HG2 MET A 23 -2.121 23.977 -3.714 1.00 0.00 H new ATOM 0 HG3 MET A 23 -2.225 24.120 -1.970 1.00 0.00 H new ATOM 0 HE1 MET A 23 -5.891 24.362 -1.120 1.00 0.00 H new ATOM 0 HE2 MET A 23 -4.278 23.794 -0.628 1.00 0.00 H new ATOM 0 HE3 MET A 23 -4.549 25.520 -0.965 1.00 0.00 H new ATOM 20 N LYS A 24 0.565 24.249 -3.815 1.00 0.00 N ATOM 21 CA LYS A 24 1.163 23.363 -4.806 1.00 0.00 C ATOM 22 C LYS A 24 0.758 21.924 -4.506 1.00 0.00 C ATOM 23 O LYS A 24 0.082 21.688 -3.500 1.00 0.00 O ATOM 24 CB LYS A 24 2.678 23.638 -4.881 1.00 0.00 C ATOM 25 CG LYS A 24 3.461 23.525 -3.558 1.00 0.00 C ATOM 26 CD LYS A 24 3.830 22.082 -3.210 1.00 0.00 C ATOM 27 CE LYS A 24 5.018 22.003 -2.244 1.00 0.00 C ATOM 28 NZ LYS A 24 6.310 22.265 -2.913 1.00 0.00 N ATOM 0 H LYS A 24 0.631 23.888 -2.863 1.00 0.00 H new ATOM 0 HA LYS A 24 0.790 23.554 -5.812 1.00 0.00 H new ATOM 0 HB2 LYS A 24 3.116 22.944 -5.598 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.824 24.642 -5.280 1.00 0.00 H new ATOM 0 HG2 LYS A 24 4.371 24.121 -3.627 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.864 23.948 -2.750 1.00 0.00 H new ATOM 0 HD2 LYS A 24 2.968 21.586 -2.764 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.071 21.540 -4.125 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.876 22.724 -1.439 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.044 21.015 -1.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.082 22.183 -2.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 6.453 21.572 -3.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 6.305 23.225 -3.314 1.00 0.00 H new ATOM 42 N VAL A 25 1.093 20.972 -5.378 1.00 0.00 N ATOM 43 CA VAL A 25 0.788 19.567 -5.115 1.00 0.00 C ATOM 44 C VAL A 25 1.562 19.162 -3.854 1.00 0.00 C ATOM 45 O VAL A 25 2.767 19.411 -3.786 1.00 0.00 O ATOM 46 CB VAL A 25 1.055 18.701 -6.356 1.00 0.00 C ATOM 47 CG1 VAL A 25 2.529 18.422 -6.645 1.00 0.00 C ATOM 48 CG2 VAL A 25 0.313 17.362 -6.257 1.00 0.00 C ATOM 0 H VAL A 25 1.570 21.146 -6.263 1.00 0.00 H new ATOM 0 HA VAL A 25 -0.272 19.407 -4.917 1.00 0.00 H new ATOM 0 HB VAL A 25 0.681 19.299 -7.187 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.614 17.804 -7.539 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.053 19.364 -6.804 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.973 17.898 -5.798 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.517 16.766 -7.147 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.653 16.822 -5.373 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.759 17.545 -6.181 1.00 0.00 H new ATOM 58 N PRO A 26 0.898 18.646 -2.813 1.00 0.00 N ATOM 59 CA PRO A 26 1.538 18.475 -1.523 1.00 0.00 C ATOM 60 C PRO A 26 2.605 17.369 -1.598 1.00 0.00 C ATOM 61 O PRO A 26 2.542 16.504 -2.474 1.00 0.00 O ATOM 62 CB PRO A 26 0.388 18.202 -0.554 1.00 0.00 C ATOM 63 CG PRO A 26 -0.684 17.545 -1.419 1.00 0.00 C ATOM 64 CD PRO A 26 -0.459 18.134 -2.809 1.00 0.00 C ATOM 0 HA PRO A 26 2.097 19.347 -1.183 1.00 0.00 H new ATOM 0 HB2 PRO A 26 0.700 17.547 0.259 1.00 0.00 H new ATOM 0 HB3 PRO A 26 0.023 19.123 -0.099 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -0.581 16.460 -1.425 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -1.685 17.768 -1.050 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -0.592 17.375 -3.580 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -1.176 18.928 -3.017 1.00 0.00 H new ATOM 72 N PRO A 27 3.609 17.389 -0.706 1.00 0.00 N ATOM 73 CA PRO A 27 4.709 16.443 -0.740 1.00 0.00 C ATOM 74 C PRO A 27 4.186 15.065 -0.351 1.00 0.00 C ATOM 75 O PRO A 27 3.806 14.837 0.803 1.00 0.00 O ATOM 76 CB PRO A 27 5.757 16.982 0.233 1.00 0.00 C ATOM 77 CG PRO A 27 4.925 17.779 1.236 1.00 0.00 C ATOM 78 CD PRO A 27 3.782 18.330 0.384 1.00 0.00 C ATOM 0 HA PRO A 27 5.157 16.334 -1.728 1.00 0.00 H new ATOM 0 HB2 PRO A 27 6.309 16.176 0.718 1.00 0.00 H new ATOM 0 HB3 PRO A 27 6.490 17.611 -0.272 1.00 0.00 H new ATOM 0 HG2 PRO A 27 4.556 17.148 2.044 1.00 0.00 H new ATOM 0 HG3 PRO A 27 5.506 18.579 1.696 1.00 0.00 H new ATOM 0 HD2 PRO A 27 2.867 18.422 0.970 1.00 0.00 H new ATOM 0 HD3 PRO A 27 4.020 19.325 0.007 1.00 0.00 H new ATOM 86 N HIS A 28 4.131 14.161 -1.320 1.00 0.00 N ATOM 87 CA HIS A 28 3.741 12.782 -1.124 1.00 0.00 C ATOM 88 C HIS A 28 4.369 11.948 -2.228 1.00 0.00 C ATOM 89 O HIS A 28 4.431 12.361 -3.393 1.00 0.00 O ATOM 90 CB HIS A 28 2.215 12.635 -1.105 1.00 0.00 C ATOM 91 CG HIS A 28 1.426 13.319 -2.198 1.00 0.00 C ATOM 92 ND1 HIS A 28 1.795 13.506 -3.513 1.00 0.00 N ATOM 93 CD2 HIS A 28 0.169 13.834 -2.052 1.00 0.00 C ATOM 94 CE1 HIS A 28 0.776 14.124 -4.137 1.00 0.00 C ATOM 95 NE2 HIS A 28 -0.250 14.326 -3.292 1.00 0.00 N ATOM 0 H HIS A 28 4.364 14.379 -2.289 1.00 0.00 H new ATOM 0 HA HIS A 28 4.097 12.430 -0.156 1.00 0.00 H new ATOM 0 HB2 HIS A 28 1.981 11.571 -1.139 1.00 0.00 H new ATOM 0 HB3 HIS A 28 1.855 13.010 -0.147 1.00 0.00 H new ATOM 0 HD1 HIS A 28 2.680 13.227 -3.936 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -0.403 13.857 -1.136 1.00 0.00 H new ATOM 0 HE1 HIS A 28 0.781 14.418 -5.176 1.00 0.00 H new ATOM 103 N SER A 29 4.806 10.755 -1.871 1.00 0.00 N ATOM 104 CA SER A 29 5.552 9.853 -2.726 1.00 0.00 C ATOM 105 C SER A 29 4.642 8.982 -3.590 1.00 0.00 C ATOM 106 O SER A 29 5.102 7.939 -4.034 1.00 0.00 O ATOM 107 CB SER A 29 6.446 9.000 -1.831 1.00 0.00 C ATOM 108 OG SER A 29 7.230 9.870 -1.046 1.00 0.00 O ATOM 0 H SER A 29 4.644 10.373 -0.939 1.00 0.00 H new ATOM 0 HA SER A 29 6.153 10.434 -3.426 1.00 0.00 H new ATOM 0 HB2 SER A 29 5.842 8.352 -1.195 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.082 8.352 -2.434 1.00 0.00 H new ATOM 0 HG SER A 29 8.025 9.395 -0.726 1.00 0.00 H new ATOM 114 N ILE A 30 3.384 9.383 -3.825 1.00 0.00 N ATOM 115 CA ILE A 30 2.312 8.640 -4.489 1.00 0.00 C ATOM 116 C ILE A 30 2.821 7.669 -5.537 1.00 0.00 C ATOM 117 O ILE A 30 2.435 6.513 -5.564 1.00 0.00 O ATOM 118 CB ILE A 30 1.279 9.635 -5.089 1.00 0.00 C ATOM 119 CG1 ILE A 30 0.385 10.086 -3.920 1.00 0.00 C ATOM 120 CG2 ILE A 30 0.441 9.132 -6.300 1.00 0.00 C ATOM 121 CD1 ILE A 30 -0.918 10.740 -4.361 1.00 0.00 C ATOM 0 H ILE A 30 3.069 10.308 -3.531 1.00 0.00 H new ATOM 0 HA ILE A 30 1.823 8.025 -3.734 1.00 0.00 H new ATOM 0 HB ILE A 30 1.836 10.456 -5.539 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.155 9.222 -3.297 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.941 10.788 -3.299 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.240 9.919 -6.623 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.109 8.870 -7.121 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.133 8.254 -6.005 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.494 11.031 -3.483 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.697 11.624 -4.959 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.496 10.034 -4.957 1.00 0.00 H new ATOM 133 N GLU A 31 3.582 8.169 -6.486 1.00 0.00 N ATOM 134 CA GLU A 31 3.960 7.419 -7.668 1.00 0.00 C ATOM 135 C GLU A 31 4.876 6.244 -7.331 1.00 0.00 C ATOM 136 O GLU A 31 4.763 5.164 -7.908 1.00 0.00 O ATOM 137 CB GLU A 31 4.469 8.439 -8.671 1.00 0.00 C ATOM 138 CG GLU A 31 3.246 9.323 -9.024 1.00 0.00 C ATOM 139 CD GLU A 31 3.624 10.474 -9.949 1.00 0.00 C ATOM 140 OE1 GLU A 31 4.318 11.405 -9.489 1.00 0.00 O ATOM 141 OE2 GLU A 31 3.168 10.536 -11.112 1.00 0.00 O ATOM 0 H GLU A 31 3.960 9.116 -6.460 1.00 0.00 H new ATOM 0 HA GLU A 31 3.123 6.898 -8.134 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.275 9.037 -8.247 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.868 7.950 -9.559 1.00 0.00 H new ATOM 0 HG2 GLU A 31 2.481 8.710 -9.501 1.00 0.00 H new ATOM 0 HG3 GLU A 31 2.810 9.722 -8.108 1.00 0.00 H new ATOM 148 N ALA A 32 5.754 6.451 -6.355 1.00 0.00 N ATOM 149 CA ALA A 32 6.548 5.411 -5.724 1.00 0.00 C ATOM 150 C ALA A 32 5.656 4.529 -4.842 1.00 0.00 C ATOM 151 O ALA A 32 5.756 3.309 -4.920 1.00 0.00 O ATOM 152 CB ALA A 32 7.674 6.047 -4.900 1.00 0.00 C ATOM 0 H ALA A 32 5.936 7.378 -5.971 1.00 0.00 H new ATOM 0 HA ALA A 32 6.995 4.781 -6.493 1.00 0.00 H new ATOM 0 HB1 ALA A 32 8.267 5.263 -4.428 1.00 0.00 H new ATOM 0 HB2 ALA A 32 8.312 6.641 -5.554 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.244 6.689 -4.131 1.00 0.00 H new ATOM 158 N GLU A 33 4.780 5.127 -4.024 1.00 0.00 N ATOM 159 CA GLU A 33 3.838 4.433 -3.140 1.00 0.00 C ATOM 160 C GLU A 33 3.039 3.398 -3.933 1.00 0.00 C ATOM 161 O GLU A 33 2.918 2.256 -3.492 1.00 0.00 O ATOM 162 CB GLU A 33 2.877 5.419 -2.442 1.00 0.00 C ATOM 163 CG GLU A 33 3.531 6.322 -1.387 1.00 0.00 C ATOM 164 CD GLU A 33 2.649 7.476 -0.882 1.00 0.00 C ATOM 165 OE1 GLU A 33 1.418 7.307 -0.740 1.00 0.00 O ATOM 166 OE2 GLU A 33 3.199 8.560 -0.592 1.00 0.00 O ATOM 0 H GLU A 33 4.706 6.142 -3.958 1.00 0.00 H new ATOM 0 HA GLU A 33 4.419 3.930 -2.367 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.412 6.049 -3.200 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.078 4.850 -1.967 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.822 5.708 -0.535 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.446 6.741 -1.806 1.00 0.00 H new ATOM 173 N GLN A 34 2.548 3.779 -5.116 1.00 0.00 N ATOM 174 CA GLN A 34 1.793 2.914 -6.000 1.00 0.00 C ATOM 175 C GLN A 34 2.622 1.656 -6.310 1.00 0.00 C ATOM 176 O GLN A 34 2.163 0.536 -6.084 1.00 0.00 O ATOM 177 CB GLN A 34 1.381 3.644 -7.293 1.00 0.00 C ATOM 178 CG GLN A 34 0.191 4.583 -7.051 1.00 0.00 C ATOM 179 CD GLN A 34 -0.344 5.215 -8.326 1.00 0.00 C ATOM 180 OE1 GLN A 34 -1.322 4.753 -8.911 1.00 0.00 O ATOM 181 NE2 GLN A 34 0.266 6.299 -8.774 1.00 0.00 N ATOM 0 H GLN A 34 2.673 4.721 -5.486 1.00 0.00 H new ATOM 0 HA GLN A 34 0.871 2.620 -5.499 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.226 4.216 -7.675 1.00 0.00 H new ATOM 0 HB3 GLN A 34 1.120 2.913 -8.058 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -0.610 4.026 -6.566 1.00 0.00 H new ATOM 0 HG3 GLN A 34 0.493 5.371 -6.362 1.00 0.00 H new ATOM 0 HE21 GLN A 34 1.076 6.670 -8.278 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -0.074 6.764 -9.616 1.00 0.00 H new ATOM 190 N SER A 35 3.858 1.841 -6.786 1.00 0.00 N ATOM 191 CA SER A 35 4.778 0.765 -7.147 1.00 0.00 C ATOM 192 C SER A 35 5.201 -0.106 -5.956 1.00 0.00 C ATOM 193 O SER A 35 5.544 -1.278 -6.140 1.00 0.00 O ATOM 194 CB SER A 35 6.019 1.383 -7.793 1.00 0.00 C ATOM 195 OG SER A 35 5.662 2.128 -8.942 1.00 0.00 O ATOM 0 H SER A 35 4.254 2.770 -6.934 1.00 0.00 H new ATOM 0 HA SER A 35 4.252 0.106 -7.838 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.525 2.030 -7.076 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.723 0.597 -8.066 1.00 0.00 H new ATOM 0 HG SER A 35 5.435 3.045 -8.680 1.00 0.00 H new ATOM 201 N VAL A 36 5.208 0.431 -4.734 1.00 0.00 N ATOM 202 CA VAL A 36 5.437 -0.371 -3.537 1.00 0.00 C ATOM 203 C VAL A 36 4.231 -1.273 -3.313 1.00 0.00 C ATOM 204 O VAL A 36 4.391 -2.482 -3.183 1.00 0.00 O ATOM 205 CB VAL A 36 5.746 0.520 -2.310 1.00 0.00 C ATOM 206 CG1 VAL A 36 5.890 -0.272 -1.004 1.00 0.00 C ATOM 207 CG2 VAL A 36 7.056 1.294 -2.488 1.00 0.00 C ATOM 0 H VAL A 36 5.057 1.423 -4.550 1.00 0.00 H new ATOM 0 HA VAL A 36 6.318 -0.998 -3.677 1.00 0.00 H new ATOM 0 HB VAL A 36 4.889 1.191 -2.244 1.00 0.00 H new ATOM 0 HG11 VAL A 36 6.106 0.414 -0.185 1.00 0.00 H new ATOM 0 HG12 VAL A 36 4.961 -0.804 -0.797 1.00 0.00 H new ATOM 0 HG13 VAL A 36 6.705 -0.989 -1.101 1.00 0.00 H new ATOM 0 HG21 VAL A 36 7.239 1.908 -1.606 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.879 0.591 -2.618 1.00 0.00 H new ATOM 0 HG23 VAL A 36 6.984 1.934 -3.367 1.00 0.00 H new ATOM 217 N LEU A 37 3.028 -0.708 -3.264 1.00 0.00 N ATOM 218 CA LEU A 37 1.830 -1.457 -2.905 1.00 0.00 C ATOM 219 C LEU A 37 1.513 -2.509 -3.958 1.00 0.00 C ATOM 220 O LEU A 37 1.170 -3.636 -3.610 1.00 0.00 O ATOM 221 CB LEU A 37 0.660 -0.493 -2.715 1.00 0.00 C ATOM 222 CG LEU A 37 0.897 0.458 -1.529 1.00 0.00 C ATOM 223 CD1 LEU A 37 -0.134 1.571 -1.591 1.00 0.00 C ATOM 224 CD2 LEU A 37 0.836 -0.228 -0.160 1.00 0.00 C ATOM 0 H LEU A 37 2.858 0.276 -3.471 1.00 0.00 H new ATOM 0 HA LEU A 37 2.006 -1.981 -1.965 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.516 0.089 -3.625 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.256 -1.060 -2.550 1.00 0.00 H new ATOM 0 HG LEU A 37 1.912 0.845 -1.624 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.019 2.256 -0.757 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.027 2.114 -2.530 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.135 1.144 -1.531 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.013 0.508 0.624 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.148 -0.677 -0.021 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.599 -1.004 -0.108 1.00 0.00 H new ATOM 236 N GLY A 38 1.672 -2.166 -5.235 1.00 0.00 N ATOM 237 CA GLY A 38 1.629 -3.125 -6.323 1.00 0.00 C ATOM 238 C GLY A 38 2.679 -4.208 -6.113 1.00 0.00 C ATOM 239 O GLY A 38 2.356 -5.397 -6.150 1.00 0.00 O ATOM 0 H GLY A 38 1.835 -1.206 -5.540 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.638 -3.576 -6.381 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.804 -2.618 -7.272 1.00 0.00 H new ATOM 243 N GLY A 39 3.925 -3.816 -5.832 1.00 0.00 N ATOM 244 CA GLY A 39 5.016 -4.756 -5.658 1.00 0.00 C ATOM 245 C GLY A 39 4.816 -5.701 -4.481 1.00 0.00 C ATOM 246 O GLY A 39 5.293 -6.829 -4.555 1.00 0.00 O ATOM 0 H GLY A 39 4.197 -2.839 -5.721 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.130 -5.342 -6.570 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.944 -4.202 -5.517 1.00 0.00 H new ATOM 250 N LEU A 40 4.110 -5.295 -3.424 1.00 0.00 N ATOM 251 CA LEU A 40 3.836 -6.147 -2.268 1.00 0.00 C ATOM 252 C LEU A 40 2.862 -7.272 -2.601 1.00 0.00 C ATOM 253 O LEU A 40 2.924 -8.328 -1.974 1.00 0.00 O ATOM 254 CB LEU A 40 3.322 -5.301 -1.099 1.00 0.00 C ATOM 255 CG LEU A 40 4.434 -4.483 -0.418 1.00 0.00 C ATOM 256 CD1 LEU A 40 3.792 -3.410 0.468 1.00 0.00 C ATOM 257 CD2 LEU A 40 5.397 -5.364 0.401 1.00 0.00 C ATOM 0 H LEU A 40 3.710 -4.360 -3.347 1.00 0.00 H new ATOM 0 HA LEU A 40 4.773 -6.620 -1.975 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.548 -4.623 -1.460 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.855 -5.954 -0.362 1.00 0.00 H new ATOM 0 HG LEU A 40 5.036 -4.013 -1.196 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.573 -2.825 0.955 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.175 -2.753 -0.145 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.171 -3.888 1.226 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.162 -4.738 0.860 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.840 -5.886 1.179 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.871 -6.093 -0.256 1.00 0.00 H new ATOM 269 N MET A 41 1.993 -7.078 -3.596 1.00 0.00 N ATOM 270 CA MET A 41 1.188 -8.167 -4.146 1.00 0.00 C ATOM 271 C MET A 41 2.086 -9.070 -5.002 1.00 0.00 C ATOM 272 O MET A 41 1.912 -10.290 -5.011 1.00 0.00 O ATOM 273 CB MET A 41 0.046 -7.625 -5.020 1.00 0.00 C ATOM 274 CG MET A 41 -0.806 -6.549 -4.340 1.00 0.00 C ATOM 275 SD MET A 41 -2.054 -5.837 -5.443 1.00 0.00 S ATOM 276 CE MET A 41 -2.322 -4.242 -4.628 1.00 0.00 C ATOM 0 H MET A 41 1.830 -6.173 -4.037 1.00 0.00 H new ATOM 0 HA MET A 41 0.755 -8.729 -3.318 1.00 0.00 H new ATOM 0 HB2 MET A 41 0.468 -7.213 -5.936 1.00 0.00 H new ATOM 0 HB3 MET A 41 -0.599 -8.454 -5.311 1.00 0.00 H new ATOM 0 HG2 MET A 41 -1.301 -6.981 -3.470 1.00 0.00 H new ATOM 0 HG3 MET A 41 -0.155 -5.754 -3.975 1.00 0.00 H new ATOM 0 HE1 MET A 41 -3.218 -3.772 -5.034 1.00 0.00 H new ATOM 0 HE2 MET A 41 -2.448 -4.398 -3.557 1.00 0.00 H new ATOM 0 HE3 MET A 41 -1.462 -3.595 -4.802 1.00 0.00 H new ATOM 286 N LEU A 42 3.020 -8.457 -5.737 1.00 0.00 N ATOM 287 CA LEU A 42 3.877 -9.052 -6.766 1.00 0.00 C ATOM 288 C LEU A 42 5.034 -9.876 -6.172 1.00 0.00 C ATOM 289 O LEU A 42 5.560 -10.780 -6.821 1.00 0.00 O ATOM 290 CB LEU A 42 4.390 -7.910 -7.660 1.00 0.00 C ATOM 291 CG LEU A 42 4.366 -8.233 -9.163 1.00 0.00 C ATOM 292 CD1 LEU A 42 4.431 -6.912 -9.930 1.00 0.00 C ATOM 293 CD2 LEU A 42 5.523 -9.132 -9.600 1.00 0.00 C ATOM 0 H LEU A 42 3.210 -7.462 -5.619 1.00 0.00 H new ATOM 0 HA LEU A 42 3.297 -9.763 -7.354 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.785 -7.022 -7.480 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.411 -7.664 -7.368 1.00 0.00 H new ATOM 0 HG LEU A 42 3.448 -8.781 -9.377 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.415 -7.112 -11.001 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.573 -6.294 -9.664 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.351 -6.387 -9.672 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.450 -9.324 -10.671 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.470 -8.638 -9.383 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.475 -10.077 -9.058 1.00 0.00 H new ATOM 305 N ASP A 43 5.449 -9.581 -4.943 1.00 0.00 N ATOM 306 CA ASP A 43 6.422 -10.315 -4.137 1.00 0.00 C ATOM 307 C ASP A 43 6.042 -10.092 -2.685 1.00 0.00 C ATOM 308 O ASP A 43 6.099 -8.971 -2.174 1.00 0.00 O ATOM 309 CB ASP A 43 7.858 -9.856 -4.397 1.00 0.00 C ATOM 310 CG ASP A 43 8.883 -10.745 -3.682 1.00 0.00 C ATOM 311 OD1 ASP A 43 8.614 -11.268 -2.576 1.00 0.00 O ATOM 312 OD2 ASP A 43 9.975 -10.945 -4.261 1.00 0.00 O ATOM 0 H ASP A 43 5.089 -8.765 -4.449 1.00 0.00 H new ATOM 0 HA ASP A 43 6.397 -11.373 -4.399 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.054 -9.867 -5.469 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.976 -8.825 -4.062 1.00 0.00 H new ATOM 317 N ASN A 44 5.587 -11.160 -2.040 1.00 0.00 N ATOM 318 CA ASN A 44 4.963 -11.101 -0.730 1.00 0.00 C ATOM 319 C ASN A 44 5.996 -11.278 0.387 1.00 0.00 C ATOM 320 O ASN A 44 5.711 -10.977 1.547 1.00 0.00 O ATOM 321 CB ASN A 44 3.861 -12.170 -0.650 1.00 0.00 C ATOM 322 CG ASN A 44 2.937 -12.188 -1.870 1.00 0.00 C ATOM 323 OD1 ASN A 44 2.780 -13.214 -2.533 1.00 0.00 O ATOM 324 ND2 ASN A 44 2.351 -11.072 -2.259 1.00 0.00 N ATOM 0 H ASN A 44 5.644 -12.104 -2.421 1.00 0.00 H new ATOM 0 HA ASN A 44 4.515 -10.117 -0.590 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.324 -13.151 -0.541 1.00 0.00 H new ATOM 0 HB3 ASN A 44 3.264 -11.998 0.246 1.00 0.00 H new ATOM 0 HD21 ASN A 44 1.775 -11.065 -3.101 1.00 0.00 H new ATOM 0 HD22 ASN A 44 2.474 -10.216 -1.718 1.00 0.00 H new ATOM 331 N GLU A 45 7.207 -11.735 0.057 1.00 0.00 N ATOM 332 CA GLU A 45 8.296 -11.940 1.015 1.00 0.00 C ATOM 333 C GLU A 45 9.128 -10.686 1.192 1.00 0.00 C ATOM 334 O GLU A 45 9.678 -10.462 2.273 1.00 0.00 O ATOM 335 CB GLU A 45 9.200 -13.076 0.543 1.00 0.00 C ATOM 336 CG GLU A 45 8.533 -14.442 0.738 1.00 0.00 C ATOM 337 CD GLU A 45 9.268 -15.240 1.806 1.00 0.00 C ATOM 338 OE1 GLU A 45 9.096 -14.976 3.016 1.00 0.00 O ATOM 339 OE2 GLU A 45 10.065 -16.132 1.426 1.00 0.00 O ATOM 0 H GLU A 45 7.462 -11.977 -0.900 1.00 0.00 H new ATOM 0 HA GLU A 45 7.845 -12.193 1.974 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.443 -12.936 -0.510 1.00 0.00 H new ATOM 0 HB3 GLU A 45 10.140 -13.047 1.094 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.491 -14.308 1.027 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.534 -14.993 -0.203 1.00 0.00 H new ATOM 346 N ARG A 46 9.137 -9.792 0.199 1.00 0.00 N ATOM 347 CA ARG A 46 9.793 -8.504 0.364 1.00 0.00 C ATOM 348 C ARG A 46 8.967 -7.601 1.274 1.00 0.00 C ATOM 349 O ARG A 46 9.415 -6.499 1.573 1.00 0.00 O ATOM 350 CB ARG A 46 10.068 -7.872 -0.998 1.00 0.00 C ATOM 351 CG ARG A 46 11.122 -8.670 -1.765 1.00 0.00 C ATOM 352 CD ARG A 46 11.594 -7.887 -2.984 1.00 0.00 C ATOM 353 NE ARG A 46 12.528 -6.831 -2.560 1.00 0.00 N ATOM 354 CZ ARG A 46 13.812 -6.738 -2.904 1.00 0.00 C ATOM 355 NH1 ARG A 46 14.320 -7.470 -3.887 1.00 0.00 N ATOM 356 NH2 ARG A 46 14.593 -5.911 -2.234 1.00 0.00 N ATOM 0 H ARG A 46 8.703 -9.938 -0.712 1.00 0.00 H new ATOM 0 HA ARG A 46 10.758 -8.648 0.850 1.00 0.00 H new ATOM 0 HB2 ARG A 46 9.145 -7.829 -1.577 1.00 0.00 H new ATOM 0 HB3 ARG A 46 10.409 -6.845 -0.865 1.00 0.00 H new ATOM 0 HG2 ARG A 46 11.969 -8.887 -1.114 1.00 0.00 H new ATOM 0 HG3 ARG A 46 10.706 -9.628 -2.078 1.00 0.00 H new ATOM 0 HD2 ARG A 46 12.083 -8.556 -3.692 1.00 0.00 H new ATOM 0 HD3 ARG A 46 10.740 -7.446 -3.499 1.00 0.00 H new ATOM 0 HE ARG A 46 12.159 -6.104 -1.947 1.00 0.00 H new ATOM 0 HH11 ARG A 46 13.724 -8.122 -4.398 1.00 0.00 H new ATOM 0 HH12 ARG A 46 15.306 -7.381 -4.132 1.00 0.00 H new ATOM 0 HH21 ARG A 46 14.211 -5.357 -1.468 1.00 0.00 H new ATOM 0 HH22 ARG A 46 15.579 -5.826 -2.483 1.00 0.00 H new ATOM 370 N TRP A 47 7.815 -8.076 1.768 1.00 0.00 N ATOM 371 CA TRP A 47 7.064 -7.422 2.820 1.00 0.00 C ATOM 372 C TRP A 47 7.991 -7.057 3.965 1.00 0.00 C ATOM 373 O TRP A 47 7.914 -5.936 4.427 1.00 0.00 O ATOM 374 CB TRP A 47 5.921 -8.307 3.328 1.00 0.00 C ATOM 375 CG TRP A 47 5.216 -7.733 4.520 1.00 0.00 C ATOM 376 CD1 TRP A 47 5.542 -7.996 5.806 1.00 0.00 C ATOM 377 CD2 TRP A 47 4.238 -6.648 4.578 1.00 0.00 C ATOM 378 NE1 TRP A 47 4.811 -7.189 6.648 1.00 0.00 N ATOM 379 CE2 TRP A 47 4.065 -6.273 5.942 1.00 0.00 C ATOM 380 CE3 TRP A 47 3.532 -5.896 3.616 1.00 0.00 C ATOM 381 CZ2 TRP A 47 3.291 -5.171 6.326 1.00 0.00 C ATOM 382 CZ3 TRP A 47 2.751 -4.786 3.989 1.00 0.00 C ATOM 383 CH2 TRP A 47 2.639 -4.417 5.338 1.00 0.00 C ATOM 0 H TRP A 47 7.383 -8.938 1.436 1.00 0.00 H new ATOM 0 HA TRP A 47 6.623 -6.515 2.406 1.00 0.00 H new ATOM 0 HB2 TRP A 47 5.200 -8.456 2.524 1.00 0.00 H new ATOM 0 HB3 TRP A 47 6.317 -9.289 3.586 1.00 0.00 H new ATOM 0 HD1 TRP A 47 6.268 -8.730 6.125 1.00 0.00 H new ATOM 0 HE1 TRP A 47 4.821 -7.261 7.665 1.00 0.00 H new ATOM 0 HE3 TRP A 47 3.592 -6.177 2.575 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 3.197 -4.905 7.368 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 2.235 -4.215 3.232 1.00 0.00 H new ATOM 0 HH2 TRP A 47 2.052 -3.554 5.616 1.00 0.00 H new ATOM 394 N ASP A 48 8.870 -7.949 4.419 1.00 0.00 N ATOM 395 CA ASP A 48 9.731 -7.651 5.571 1.00 0.00 C ATOM 396 C ASP A 48 10.739 -6.545 5.312 1.00 0.00 C ATOM 397 O ASP A 48 11.132 -5.837 6.242 1.00 0.00 O ATOM 398 CB ASP A 48 10.506 -8.916 5.974 1.00 0.00 C ATOM 399 CG ASP A 48 9.756 -9.859 6.905 1.00 0.00 C ATOM 400 OD1 ASP A 48 8.513 -9.777 6.997 1.00 0.00 O ATOM 401 OD2 ASP A 48 10.416 -10.719 7.532 1.00 0.00 O ATOM 0 H ASP A 48 9.007 -8.875 4.015 1.00 0.00 H new ATOM 0 HA ASP A 48 9.065 -7.310 6.364 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.777 -9.461 5.070 1.00 0.00 H new ATOM 0 HB3 ASP A 48 11.436 -8.616 6.457 1.00 0.00 H new ATOM 406 N ASP A 49 11.190 -6.430 4.073 1.00 0.00 N ATOM 407 CA ASP A 49 12.216 -5.489 3.636 1.00 0.00 C ATOM 408 C ASP A 49 11.556 -4.128 3.519 1.00 0.00 C ATOM 409 O ASP A 49 11.988 -3.162 4.138 1.00 0.00 O ATOM 410 CB ASP A 49 12.862 -6.029 2.341 1.00 0.00 C ATOM 411 CG ASP A 49 13.126 -5.054 1.186 1.00 0.00 C ATOM 412 OD1 ASP A 49 13.762 -4.001 1.411 1.00 0.00 O ATOM 413 OD2 ASP A 49 12.910 -5.464 0.017 1.00 0.00 O ATOM 0 H ASP A 49 10.839 -7.012 3.312 1.00 0.00 H new ATOM 0 HA ASP A 49 13.040 -5.378 4.341 1.00 0.00 H new ATOM 0 HB2 ASP A 49 13.814 -6.485 2.612 1.00 0.00 H new ATOM 0 HB3 ASP A 49 12.223 -6.826 1.961 1.00 0.00 H new ATOM 418 N VAL A 50 10.412 -4.093 2.851 1.00 0.00 N ATOM 419 CA VAL A 50 9.559 -2.936 2.708 1.00 0.00 C ATOM 420 C VAL A 50 8.995 -2.495 4.061 1.00 0.00 C ATOM 421 O VAL A 50 8.990 -1.303 4.329 1.00 0.00 O ATOM 422 CB VAL A 50 8.480 -3.328 1.695 1.00 0.00 C ATOM 423 CG1 VAL A 50 7.386 -2.265 1.546 1.00 0.00 C ATOM 424 CG2 VAL A 50 9.126 -3.518 0.316 1.00 0.00 C ATOM 0 H VAL A 50 10.041 -4.914 2.373 1.00 0.00 H new ATOM 0 HA VAL A 50 10.105 -2.066 2.344 1.00 0.00 H new ATOM 0 HB VAL A 50 8.023 -4.245 2.066 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.650 -2.600 0.815 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.897 -2.109 2.507 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.832 -1.329 1.210 1.00 0.00 H new ATOM 0 HG21 VAL A 50 8.361 -3.797 -0.409 1.00 0.00 H new ATOM 0 HG22 VAL A 50 9.599 -2.587 0.004 1.00 0.00 H new ATOM 0 HG23 VAL A 50 9.878 -4.305 0.372 1.00 0.00 H new ATOM 434 N ALA A 51 8.549 -3.391 4.938 1.00 0.00 N ATOM 435 CA ALA A 51 8.052 -3.043 6.264 1.00 0.00 C ATOM 436 C ALA A 51 9.151 -2.481 7.156 1.00 0.00 C ATOM 437 O ALA A 51 8.845 -1.840 8.161 1.00 0.00 O ATOM 438 CB ALA A 51 7.337 -4.227 6.922 1.00 0.00 C ATOM 0 H ALA A 51 8.523 -4.392 4.744 1.00 0.00 H new ATOM 0 HA ALA A 51 7.316 -2.249 6.133 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.979 -3.933 7.909 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.491 -4.530 6.305 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.031 -5.062 7.021 1.00 0.00 H new ATOM 444 N GLU A 52 10.418 -2.700 6.807 1.00 0.00 N ATOM 445 CA GLU A 52 11.554 -2.039 7.406 1.00 0.00 C ATOM 446 C GLU A 52 12.013 -0.808 6.627 1.00 0.00 C ATOM 447 O GLU A 52 12.787 -0.005 7.152 1.00 0.00 O ATOM 448 CB GLU A 52 12.689 -3.033 7.653 1.00 0.00 C ATOM 449 CG GLU A 52 12.453 -3.689 9.012 1.00 0.00 C ATOM 450 CD GLU A 52 12.694 -2.691 10.158 1.00 0.00 C ATOM 451 OE1 GLU A 52 13.866 -2.355 10.451 1.00 0.00 O ATOM 452 OE2 GLU A 52 11.718 -2.174 10.757 1.00 0.00 O ATOM 0 H GLU A 52 10.679 -3.363 6.078 1.00 0.00 H new ATOM 0 HA GLU A 52 11.229 -1.656 8.373 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.714 -3.786 6.865 1.00 0.00 H new ATOM 0 HB3 GLU A 52 13.652 -2.523 7.638 1.00 0.00 H new ATOM 0 HG2 GLU A 52 11.432 -4.068 9.064 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.117 -4.546 9.126 1.00 0.00 H new ATOM 459 N ARG A 53 11.503 -0.596 5.414 1.00 0.00 N ATOM 460 CA ARG A 53 11.700 0.661 4.708 1.00 0.00 C ATOM 461 C ARG A 53 10.652 1.654 5.177 1.00 0.00 C ATOM 462 O ARG A 53 10.990 2.826 5.314 1.00 0.00 O ATOM 463 CB ARG A 53 11.599 0.506 3.179 1.00 0.00 C ATOM 464 CG ARG A 53 12.745 -0.240 2.476 1.00 0.00 C ATOM 465 CD ARG A 53 14.062 0.542 2.477 1.00 0.00 C ATOM 466 NE ARG A 53 14.859 0.283 3.684 1.00 0.00 N ATOM 467 CZ ARG A 53 15.942 0.975 4.051 1.00 0.00 C ATOM 468 NH1 ARG A 53 16.334 2.048 3.377 1.00 0.00 N ATOM 469 NH2 ARG A 53 16.659 0.578 5.093 1.00 0.00 N ATOM 0 H ARG A 53 10.950 -1.283 4.902 1.00 0.00 H new ATOM 0 HA ARG A 53 12.707 1.012 4.932 1.00 0.00 H new ATOM 0 HB2 ARG A 53 10.668 -0.013 2.952 1.00 0.00 H new ATOM 0 HB3 ARG A 53 11.524 1.502 2.742 1.00 0.00 H new ATOM 0 HG2 ARG A 53 12.900 -1.201 2.967 1.00 0.00 H new ATOM 0 HG3 ARG A 53 12.456 -0.451 1.447 1.00 0.00 H new ATOM 0 HD2 ARG A 53 14.643 0.273 1.595 1.00 0.00 H new ATOM 0 HD3 ARG A 53 13.850 1.609 2.406 1.00 0.00 H new ATOM 0 HE ARG A 53 14.563 -0.484 4.288 1.00 0.00 H new ATOM 0 HH11 ARG A 53 15.806 2.359 2.562 1.00 0.00 H new ATOM 0 HH12 ARG A 53 17.164 2.562 3.674 1.00 0.00 H new ATOM 0 HH21 ARG A 53 16.384 -0.255 5.614 1.00 0.00 H new ATOM 0 HH22 ARG A 53 17.486 1.105 5.374 1.00 0.00 H new ATOM 483 N VAL A 54 9.416 1.219 5.414 1.00 0.00 N ATOM 484 CA VAL A 54 8.270 2.079 5.635 1.00 0.00 C ATOM 485 C VAL A 54 7.267 1.469 6.616 1.00 0.00 C ATOM 486 O VAL A 54 7.336 0.281 6.924 1.00 0.00 O ATOM 487 CB VAL A 54 7.580 2.326 4.281 1.00 0.00 C ATOM 488 CG1 VAL A 54 8.340 3.331 3.419 1.00 0.00 C ATOM 489 CG2 VAL A 54 7.301 1.082 3.423 1.00 0.00 C ATOM 0 H VAL A 54 9.184 0.227 5.458 1.00 0.00 H new ATOM 0 HA VAL A 54 8.622 3.013 6.074 1.00 0.00 H new ATOM 0 HB VAL A 54 6.612 2.721 4.589 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.814 3.472 2.475 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.405 4.284 3.943 1.00 0.00 H new ATOM 0 HG13 VAL A 54 9.344 2.956 3.222 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.813 1.382 2.495 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.241 0.580 3.193 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.650 0.400 3.971 1.00 0.00 H new ATOM 499 N VAL A 55 6.327 2.281 7.090 1.00 0.00 N ATOM 500 CA VAL A 55 5.145 1.879 7.848 1.00 0.00 C ATOM 501 C VAL A 55 3.915 2.476 7.160 1.00 0.00 C ATOM 502 O VAL A 55 4.058 3.306 6.259 1.00 0.00 O ATOM 503 CB VAL A 55 5.260 2.323 9.321 1.00 0.00 C ATOM 504 CG1 VAL A 55 6.441 1.623 10.003 1.00 0.00 C ATOM 505 CG2 VAL A 55 5.401 3.844 9.489 1.00 0.00 C ATOM 0 H VAL A 55 6.371 3.290 6.949 1.00 0.00 H new ATOM 0 HA VAL A 55 5.054 0.793 7.864 1.00 0.00 H new ATOM 0 HB VAL A 55 4.324 2.031 9.797 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.507 1.948 11.041 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.293 0.544 9.970 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.365 1.879 9.484 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.477 4.088 10.549 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.298 4.185 8.973 1.00 0.00 H new ATOM 0 HG23 VAL A 55 4.528 4.339 9.065 1.00 0.00 H new ATOM 515 N ALA A 56 2.707 2.120 7.616 1.00 0.00 N ATOM 516 CA ALA A 56 1.456 2.611 7.049 1.00 0.00 C ATOM 517 C ALA A 56 1.460 4.134 6.907 1.00 0.00 C ATOM 518 O ALA A 56 1.058 4.657 5.872 1.00 0.00 O ATOM 519 CB ALA A 56 0.277 2.164 7.925 1.00 0.00 C ATOM 0 H ALA A 56 2.575 1.477 8.397 1.00 0.00 H new ATOM 0 HA ALA A 56 1.350 2.187 6.050 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.655 2.533 7.497 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.249 1.075 7.970 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.398 2.566 8.931 1.00 0.00 H new ATOM 525 N ASP A 57 1.904 4.852 7.939 1.00 0.00 N ATOM 526 CA ASP A 57 1.810 6.314 7.980 1.00 0.00 C ATOM 527 C ASP A 57 2.690 7.007 6.953 1.00 0.00 C ATOM 528 O ASP A 57 2.461 8.183 6.661 1.00 0.00 O ATOM 529 CB ASP A 57 2.155 6.842 9.373 1.00 0.00 C ATOM 530 CG ASP A 57 0.989 6.624 10.319 1.00 0.00 C ATOM 531 OD1 ASP A 57 -0.121 7.152 10.083 1.00 0.00 O ATOM 532 OD2 ASP A 57 1.147 5.878 11.308 1.00 0.00 O ATOM 0 H ASP A 57 2.337 4.441 8.766 1.00 0.00 H new ATOM 0 HA ASP A 57 0.774 6.548 7.733 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.041 6.334 9.753 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.395 7.904 9.318 1.00 0.00 H new ATOM 537 N ASP A 58 3.682 6.318 6.388 1.00 0.00 N ATOM 538 CA ASP A 58 4.563 6.902 5.398 1.00 0.00 C ATOM 539 C ASP A 58 3.820 7.064 4.065 1.00 0.00 C ATOM 540 O ASP A 58 4.080 8.014 3.319 1.00 0.00 O ATOM 541 CB ASP A 58 5.827 6.045 5.248 1.00 0.00 C ATOM 542 CG ASP A 58 6.712 5.995 6.497 1.00 0.00 C ATOM 543 OD1 ASP A 58 6.841 7.002 7.226 1.00 0.00 O ATOM 544 OD2 ASP A 58 7.315 4.934 6.763 1.00 0.00 O ATOM 0 H ASP A 58 3.890 5.344 6.608 1.00 0.00 H new ATOM 0 HA ASP A 58 4.874 7.894 5.726 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.533 5.029 4.986 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.416 6.431 4.416 1.00 0.00 H new ATOM 549 N PHE A 59 2.829 6.210 3.792 1.00 0.00 N ATOM 550 CA PHE A 59 1.952 6.295 2.632 1.00 0.00 C ATOM 551 C PHE A 59 0.953 7.429 2.841 1.00 0.00 C ATOM 552 O PHE A 59 0.279 7.496 3.875 1.00 0.00 O ATOM 553 CB PHE A 59 1.216 4.969 2.427 1.00 0.00 C ATOM 554 CG PHE A 59 2.137 3.800 2.133 1.00 0.00 C ATOM 555 CD1 PHE A 59 2.758 3.112 3.190 1.00 0.00 C ATOM 556 CD2 PHE A 59 2.419 3.423 0.807 1.00 0.00 C ATOM 557 CE1 PHE A 59 3.660 2.069 2.929 1.00 0.00 C ATOM 558 CE2 PHE A 59 3.310 2.370 0.541 1.00 0.00 C ATOM 559 CZ PHE A 59 3.926 1.688 1.605 1.00 0.00 C ATOM 0 H PHE A 59 2.612 5.416 4.395 1.00 0.00 H new ATOM 0 HA PHE A 59 2.547 6.497 1.741 1.00 0.00 H new ATOM 0 HB2 PHE A 59 0.633 4.745 3.320 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.509 5.079 1.605 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.539 3.388 4.211 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.947 3.947 -0.011 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.149 1.560 3.746 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.521 2.085 -0.479 1.00 0.00 H new ATOM 0 HZ PHE A 59 4.603 0.871 1.403 1.00 0.00 H new ATOM 569 N TYR A 60 0.860 8.338 1.870 1.00 0.00 N ATOM 570 CA TYR A 60 0.087 9.554 2.036 1.00 0.00 C ATOM 571 C TYR A 60 -1.406 9.332 1.812 1.00 0.00 C ATOM 572 O TYR A 60 -2.216 9.822 2.607 1.00 0.00 O ATOM 573 CB TYR A 60 0.583 10.656 1.095 1.00 0.00 C ATOM 574 CG TYR A 60 -0.201 11.930 1.339 1.00 0.00 C ATOM 575 CD1 TYR A 60 0.125 12.733 2.446 1.00 0.00 C ATOM 576 CD2 TYR A 60 -1.370 12.193 0.599 1.00 0.00 C ATOM 577 CE1 TYR A 60 -0.755 13.745 2.863 1.00 0.00 C ATOM 578 CE2 TYR A 60 -2.257 13.197 1.019 1.00 0.00 C ATOM 579 CZ TYR A 60 -1.972 13.946 2.177 1.00 0.00 C ATOM 580 OH TYR A 60 -2.902 14.809 2.665 1.00 0.00 O ATOM 0 H TYR A 60 1.314 8.248 0.961 1.00 0.00 H new ATOM 0 HA TYR A 60 0.231 9.866 3.070 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.646 10.835 1.258 1.00 0.00 H new ATOM 0 HB3 TYR A 60 0.468 10.340 0.058 1.00 0.00 H new ATOM 0 HD1 TYR A 60 1.052 12.572 2.976 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.584 11.622 -0.292 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -0.501 14.369 3.707 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -3.157 13.395 0.455 1.00 0.00 H new ATOM 0 HH TYR A 60 -3.678 14.826 2.067 1.00 0.00 H new ATOM 590 N THR A 61 -1.809 8.689 0.713 1.00 0.00 N ATOM 591 CA THR A 61 -3.223 8.683 0.366 1.00 0.00 C ATOM 592 C THR A 61 -3.964 7.734 1.305 1.00 0.00 C ATOM 593 O THR A 61 -3.391 6.769 1.818 1.00 0.00 O ATOM 594 CB THR A 61 -3.436 8.350 -1.118 1.00 0.00 C ATOM 595 OG1 THR A 61 -3.200 6.999 -1.396 1.00 0.00 O ATOM 596 CG2 THR A 61 -2.579 9.189 -2.051 1.00 0.00 C ATOM 0 H THR A 61 -1.198 8.184 0.071 1.00 0.00 H new ATOM 0 HA THR A 61 -3.639 9.682 0.501 1.00 0.00 H new ATOM 0 HB THR A 61 -4.484 8.586 -1.303 1.00 0.00 H new ATOM 0 HG1 THR A 61 -3.348 6.831 -2.350 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.778 8.903 -3.084 1.00 0.00 H new ATOM 0 HG22 THR A 61 -2.817 10.244 -1.914 1.00 0.00 H new ATOM 0 HG23 THR A 61 -1.526 9.023 -1.825 1.00 0.00 H new ATOM 604 N ARG A 62 -5.258 7.976 1.501 1.00 0.00 N ATOM 605 CA ARG A 62 -6.124 7.042 2.205 1.00 0.00 C ATOM 606 C ARG A 62 -6.058 5.646 1.563 1.00 0.00 C ATOM 607 O ARG A 62 -5.796 4.702 2.308 1.00 0.00 O ATOM 608 CB ARG A 62 -7.532 7.644 2.306 1.00 0.00 C ATOM 609 CG ARG A 62 -8.494 6.833 3.183 1.00 0.00 C ATOM 610 CD ARG A 62 -9.829 7.570 3.372 1.00 0.00 C ATOM 611 NE ARG A 62 -9.639 8.741 4.234 1.00 0.00 N ATOM 612 CZ ARG A 62 -10.402 9.826 4.359 1.00 0.00 C ATOM 613 NH1 ARG A 62 -11.589 9.927 3.771 1.00 0.00 N ATOM 614 NH2 ARG A 62 -9.933 10.811 5.111 1.00 0.00 N ATOM 0 H ARG A 62 -5.730 8.820 1.178 1.00 0.00 H new ATOM 0 HA ARG A 62 -5.782 6.887 3.228 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -7.456 8.655 2.706 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -7.953 7.728 1.304 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -8.674 5.860 2.726 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -8.037 6.649 4.155 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -10.222 7.881 2.404 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -10.565 6.898 3.814 1.00 0.00 H new ATOM 0 HE ARG A 62 -8.805 8.722 4.821 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -11.943 9.158 3.202 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -12.146 10.773 3.889 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -9.024 10.718 5.564 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -10.481 11.662 5.237 1.00 0.00 H new ATOM 628 N PRO A 63 -6.226 5.454 0.236 1.00 0.00 N ATOM 629 CA PRO A 63 -6.119 4.127 -0.358 1.00 0.00 C ATOM 630 C PRO A 63 -4.710 3.537 -0.250 1.00 0.00 C ATOM 631 O PRO A 63 -4.601 2.333 -0.024 1.00 0.00 O ATOM 632 CB PRO A 63 -6.594 4.263 -1.808 1.00 0.00 C ATOM 633 CG PRO A 63 -6.361 5.730 -2.131 1.00 0.00 C ATOM 634 CD PRO A 63 -6.627 6.410 -0.790 1.00 0.00 C ATOM 0 HA PRO A 63 -6.741 3.416 0.185 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -6.030 3.612 -2.476 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -7.645 3.993 -1.912 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -5.346 5.912 -2.484 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -7.037 6.087 -2.908 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -6.058 7.336 -0.703 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -7.680 6.672 -0.688 1.00 0.00 H new ATOM 642 N HIS A 64 -3.636 4.325 -0.376 1.00 0.00 N ATOM 643 CA HIS A 64 -2.289 3.785 -0.215 1.00 0.00 C ATOM 644 C HIS A 64 -2.105 3.264 1.222 1.00 0.00 C ATOM 645 O HIS A 64 -1.659 2.130 1.420 1.00 0.00 O ATOM 646 CB HIS A 64 -1.198 4.805 -0.611 1.00 0.00 C ATOM 647 CG HIS A 64 -1.084 5.199 -2.078 1.00 0.00 C ATOM 648 ND1 HIS A 64 -0.313 6.241 -2.559 1.00 0.00 N ATOM 649 CD2 HIS A 64 -1.708 4.633 -3.158 1.00 0.00 C ATOM 650 CE1 HIS A 64 -0.444 6.303 -3.899 1.00 0.00 C ATOM 651 NE2 HIS A 64 -1.304 5.351 -4.290 1.00 0.00 N ATOM 0 H HIS A 64 -3.675 5.322 -0.586 1.00 0.00 H new ATOM 0 HA HIS A 64 -2.172 2.947 -0.902 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -1.366 5.714 -0.033 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -0.235 4.402 -0.298 1.00 0.00 H new ATOM 0 HD1 HIS A 64 0.262 6.863 -1.991 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -2.384 3.791 -3.140 1.00 0.00 H new ATOM 0 HE1 HIS A 64 0.060 7.003 -4.550 1.00 0.00 H new ATOM 659 N ARG A 65 -2.504 4.046 2.236 1.00 0.00 N ATOM 660 CA ARG A 65 -2.469 3.621 3.634 1.00 0.00 C ATOM 661 C ARG A 65 -3.267 2.375 3.909 1.00 0.00 C ATOM 662 O ARG A 65 -2.748 1.478 4.572 1.00 0.00 O ATOM 663 CB ARG A 65 -2.915 4.740 4.582 1.00 0.00 C ATOM 664 CG ARG A 65 -2.165 4.661 5.926 1.00 0.00 C ATOM 665 CD ARG A 65 -1.774 6.011 6.529 1.00 0.00 C ATOM 666 NE ARG A 65 -2.929 6.919 6.585 1.00 0.00 N ATOM 667 CZ ARG A 65 -3.122 7.978 5.792 1.00 0.00 C ATOM 668 NH1 ARG A 65 -2.157 8.426 4.997 1.00 0.00 N ATOM 669 NH2 ARG A 65 -4.306 8.571 5.783 1.00 0.00 N ATOM 0 H ARG A 65 -2.860 4.993 2.104 1.00 0.00 H new ATOM 0 HA ARG A 65 -1.423 3.382 3.826 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -2.733 5.709 4.117 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -3.988 4.667 4.756 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -2.790 4.127 6.642 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -1.262 4.067 5.786 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -1.375 5.863 7.532 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -0.981 6.463 5.934 1.00 0.00 H new ATOM 0 HE ARG A 65 -3.643 6.725 7.287 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -1.249 7.961 4.984 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -2.323 9.235 4.399 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -5.057 8.219 6.376 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -4.467 9.380 5.183 1.00 0.00 H new ATOM 683 N HIS A 66 -4.514 2.340 3.446 1.00 0.00 N ATOM 684 CA HIS A 66 -5.374 1.172 3.565 1.00 0.00 C ATOM 685 C HIS A 66 -4.615 -0.085 3.190 1.00 0.00 C ATOM 686 O HIS A 66 -4.560 -1.015 3.987 1.00 0.00 O ATOM 687 CB HIS A 66 -6.568 1.268 2.613 1.00 0.00 C ATOM 688 CG HIS A 66 -7.720 2.114 3.049 1.00 0.00 C ATOM 689 ND1 HIS A 66 -8.377 3.067 2.305 1.00 0.00 N ATOM 690 CD2 HIS A 66 -8.442 1.892 4.178 1.00 0.00 C ATOM 691 CE1 HIS A 66 -9.467 3.431 2.988 1.00 0.00 C ATOM 692 NE2 HIS A 66 -9.524 2.775 4.162 1.00 0.00 N ATOM 0 H HIS A 66 -4.957 3.129 2.975 1.00 0.00 H new ATOM 0 HA HIS A 66 -5.713 1.133 4.600 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -6.209 1.652 1.658 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -6.939 0.259 2.432 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -8.220 1.166 4.946 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -10.198 4.149 2.646 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -10.221 2.899 4.896 1.00 0.00 H new ATOM 700 N ILE A 67 -4.052 -0.116 1.984 1.00 0.00 N ATOM 701 CA ILE A 67 -3.472 -1.326 1.436 1.00 0.00 C ATOM 702 C ILE A 67 -2.326 -1.775 2.340 1.00 0.00 C ATOM 703 O ILE A 67 -2.327 -2.931 2.752 1.00 0.00 O ATOM 704 CB ILE A 67 -3.092 -1.101 -0.039 1.00 0.00 C ATOM 705 CG1 ILE A 67 -4.373 -0.816 -0.861 1.00 0.00 C ATOM 706 CG2 ILE A 67 -2.376 -2.339 -0.611 1.00 0.00 C ATOM 707 CD1 ILE A 67 -4.073 -0.135 -2.196 1.00 0.00 C ATOM 0 H ILE A 67 -3.988 0.694 1.368 1.00 0.00 H new ATOM 0 HA ILE A 67 -4.187 -2.149 1.422 1.00 0.00 H new ATOM 0 HB ILE A 67 -2.415 -0.249 -0.101 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.899 -1.753 -1.045 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.042 -0.184 -0.277 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.116 -2.159 -1.654 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.468 -2.531 -0.039 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -3.036 -3.204 -0.545 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -5.006 0.042 -2.732 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.573 0.816 -2.015 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -3.427 -0.777 -2.795 1.00 0.00 H new ATOM 719 N PHE A 68 -1.407 -0.880 2.727 1.00 0.00 N ATOM 720 CA PHE A 68 -0.343 -1.265 3.649 1.00 0.00 C ATOM 721 C PHE A 68 -0.912 -1.736 4.993 1.00 0.00 C ATOM 722 O PHE A 68 -0.422 -2.715 5.549 1.00 0.00 O ATOM 723 CB PHE A 68 0.656 -0.121 3.857 1.00 0.00 C ATOM 724 CG PHE A 68 1.932 -0.576 4.545 1.00 0.00 C ATOM 725 CD1 PHE A 68 2.003 -0.645 5.949 1.00 0.00 C ATOM 726 CD2 PHE A 68 3.042 -0.978 3.777 1.00 0.00 C ATOM 727 CE1 PHE A 68 3.181 -1.073 6.582 1.00 0.00 C ATOM 728 CE2 PHE A 68 4.226 -1.396 4.411 1.00 0.00 C ATOM 729 CZ PHE A 68 4.299 -1.433 5.814 1.00 0.00 C ATOM 0 H PHE A 68 -1.382 0.093 2.422 1.00 0.00 H new ATOM 0 HA PHE A 68 0.190 -2.101 3.197 1.00 0.00 H new ATOM 0 HB2 PHE A 68 0.905 0.318 2.891 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.187 0.662 4.452 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.145 -0.367 6.544 1.00 0.00 H new ATOM 0 HD2 PHE A 68 2.984 -0.965 2.699 1.00 0.00 H new ATOM 0 HE1 PHE A 68 3.227 -1.125 7.660 1.00 0.00 H new ATOM 0 HE2 PHE A 68 5.080 -1.689 3.819 1.00 0.00 H new ATOM 0 HZ PHE A 68 5.214 -1.738 6.300 1.00 0.00 H new ATOM 739 N THR A 69 -1.941 -1.069 5.526 1.00 0.00 N ATOM 740 CA THR A 69 -2.514 -1.424 6.819 1.00 0.00 C ATOM 741 C THR A 69 -3.134 -2.815 6.754 1.00 0.00 C ATOM 742 O THR A 69 -2.985 -3.580 7.709 1.00 0.00 O ATOM 743 CB THR A 69 -3.547 -0.362 7.245 1.00 0.00 C ATOM 744 OG1 THR A 69 -2.987 0.939 7.167 1.00 0.00 O ATOM 745 CG2 THR A 69 -4.039 -0.559 8.683 1.00 0.00 C ATOM 0 H THR A 69 -2.394 -0.275 5.074 1.00 0.00 H new ATOM 0 HA THR A 69 -1.726 -1.447 7.572 1.00 0.00 H new ATOM 0 HB THR A 69 -4.387 -0.475 6.560 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.992 1.242 6.235 1.00 0.00 H new ATOM 0 HG21 THR A 69 -4.764 0.217 8.929 1.00 0.00 H new ATOM 0 HG22 THR A 69 -4.509 -1.538 8.776 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.194 -0.496 9.369 1.00 0.00 H new ATOM 753 N GLU A 70 -3.805 -3.158 5.657 1.00 0.00 N ATOM 754 CA GLU A 70 -4.517 -4.410 5.540 1.00 0.00 C ATOM 755 C GLU A 70 -3.566 -5.543 5.166 1.00 0.00 C ATOM 756 O GLU A 70 -3.758 -6.664 5.624 1.00 0.00 O ATOM 757 CB GLU A 70 -5.679 -4.235 4.549 1.00 0.00 C ATOM 758 CG GLU A 70 -6.904 -5.025 5.015 1.00 0.00 C ATOM 759 CD GLU A 70 -7.378 -4.532 6.384 1.00 0.00 C ATOM 760 OE1 GLU A 70 -7.834 -3.372 6.521 1.00 0.00 O ATOM 761 OE2 GLU A 70 -7.266 -5.316 7.351 1.00 0.00 O ATOM 0 H GLU A 70 -3.865 -2.568 4.827 1.00 0.00 H new ATOM 0 HA GLU A 70 -4.945 -4.693 6.502 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -5.933 -3.179 4.460 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.375 -4.575 3.559 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.709 -4.921 4.287 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.659 -6.086 5.070 1.00 0.00 H new ATOM 768 N MET A 71 -2.500 -5.258 4.413 1.00 0.00 N ATOM 769 CA MET A 71 -1.411 -6.201 4.197 1.00 0.00 C ATOM 770 C MET A 71 -0.740 -6.502 5.538 1.00 0.00 C ATOM 771 O MET A 71 -0.545 -7.668 5.872 1.00 0.00 O ATOM 772 CB MET A 71 -0.387 -5.634 3.210 1.00 0.00 C ATOM 773 CG MET A 71 -0.880 -5.613 1.763 1.00 0.00 C ATOM 774 SD MET A 71 0.339 -4.895 0.635 1.00 0.00 S ATOM 775 CE MET A 71 -0.348 -5.427 -0.951 1.00 0.00 C ATOM 0 H MET A 71 -2.372 -4.365 3.938 1.00 0.00 H new ATOM 0 HA MET A 71 -1.814 -7.120 3.771 1.00 0.00 H new ATOM 0 HB2 MET A 71 -0.127 -4.619 3.511 1.00 0.00 H new ATOM 0 HB3 MET A 71 0.526 -6.227 3.266 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.112 -6.630 1.445 1.00 0.00 H new ATOM 0 HG3 MET A 71 -1.807 -5.042 1.705 1.00 0.00 H new ATOM 0 HE1 MET A 71 0.463 -5.612 -1.655 1.00 0.00 H new ATOM 0 HE2 MET A 71 -0.922 -6.343 -0.810 1.00 0.00 H new ATOM 0 HE3 MET A 71 -0.999 -4.647 -1.345 1.00 0.00 H new ATOM 785 N ALA A 72 -0.435 -5.473 6.337 1.00 0.00 N ATOM 786 CA ALA A 72 0.124 -5.649 7.670 1.00 0.00 C ATOM 787 C ALA A 72 -0.827 -6.464 8.544 1.00 0.00 C ATOM 788 O ALA A 72 -0.385 -7.400 9.202 1.00 0.00 O ATOM 789 CB ALA A 72 0.427 -4.291 8.311 1.00 0.00 C ATOM 0 H ALA A 72 -0.571 -4.497 6.072 1.00 0.00 H new ATOM 0 HA ALA A 72 1.062 -6.198 7.583 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.844 -4.443 9.306 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.146 -3.750 7.695 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.493 -3.712 8.388 1.00 0.00 H new ATOM 795 N ARG A 73 -2.127 -6.142 8.543 1.00 0.00 N ATOM 796 CA ARG A 73 -3.140 -6.898 9.284 1.00 0.00 C ATOM 797 C ARG A 73 -3.126 -8.360 8.853 1.00 0.00 C ATOM 798 O ARG A 73 -3.147 -9.234 9.715 1.00 0.00 O ATOM 799 CB ARG A 73 -4.532 -6.277 9.072 1.00 0.00 C ATOM 800 CG ARG A 73 -5.679 -7.004 9.803 1.00 0.00 C ATOM 801 CD ARG A 73 -6.175 -6.295 11.057 1.00 0.00 C ATOM 802 NE ARG A 73 -5.220 -6.373 12.165 1.00 0.00 N ATOM 803 CZ ARG A 73 -5.146 -5.529 13.193 1.00 0.00 C ATOM 804 NH1 ARG A 73 -6.034 -4.552 13.357 1.00 0.00 N ATOM 805 NH2 ARG A 73 -4.141 -5.686 14.040 1.00 0.00 N ATOM 0 H ARG A 73 -2.505 -5.348 8.027 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.906 -6.852 10.348 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.507 -5.239 9.405 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -4.750 -6.264 8.004 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -6.515 -7.124 9.114 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -5.344 -8.005 10.075 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -6.371 -5.248 10.824 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -7.123 -6.735 11.368 1.00 0.00 H new ATOM 0 HE ARG A 73 -4.551 -7.143 12.148 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -6.794 -4.436 12.687 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -5.955 -3.919 14.153 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -3.461 -6.431 13.892 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -4.047 -5.061 14.841 1.00 0.00 H new ATOM 819 N LEU A 74 -3.127 -8.647 7.552 1.00 0.00 N ATOM 820 CA LEU A 74 -3.092 -9.996 7.020 1.00 0.00 C ATOM 821 C LEU A 74 -1.847 -10.723 7.500 1.00 0.00 C ATOM 822 O LEU A 74 -1.972 -11.818 8.042 1.00 0.00 O ATOM 823 CB LEU A 74 -3.148 -9.933 5.488 1.00 0.00 C ATOM 824 CG LEU A 74 -4.588 -9.875 4.957 1.00 0.00 C ATOM 825 CD1 LEU A 74 -4.622 -9.339 3.523 1.00 0.00 C ATOM 826 CD2 LEU A 74 -5.229 -11.269 4.997 1.00 0.00 C ATOM 0 H LEU A 74 -3.153 -7.928 6.828 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.955 -10.556 7.379 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.601 -9.056 5.143 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.645 -10.806 5.072 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.153 -9.198 5.598 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.653 -9.308 3.171 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.200 -8.334 3.500 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.037 -9.993 2.876 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -6.249 -11.211 4.618 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.650 -11.954 4.378 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -5.244 -11.633 6.024 1.00 0.00 H new ATOM 838 N GLN A 75 -0.670 -10.116 7.367 1.00 0.00 N ATOM 839 CA GLN A 75 0.583 -10.727 7.776 1.00 0.00 C ATOM 840 C GLN A 75 0.592 -10.979 9.284 1.00 0.00 C ATOM 841 O GLN A 75 1.006 -12.052 9.720 1.00 0.00 O ATOM 842 CB GLN A 75 1.743 -9.811 7.356 1.00 0.00 C ATOM 843 CG GLN A 75 3.052 -10.580 7.145 1.00 0.00 C ATOM 844 CD GLN A 75 3.062 -11.330 5.813 1.00 0.00 C ATOM 845 OE1 GLN A 75 2.714 -12.508 5.731 1.00 0.00 O ATOM 846 NE2 GLN A 75 3.457 -10.670 4.733 1.00 0.00 N ATOM 0 H GLN A 75 -0.563 -9.182 6.970 1.00 0.00 H new ATOM 0 HA GLN A 75 0.698 -11.694 7.286 1.00 0.00 H new ATOM 0 HB2 GLN A 75 1.477 -9.293 6.435 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.893 -9.047 8.119 1.00 0.00 H new ATOM 0 HG2 GLN A 75 3.891 -9.885 7.177 1.00 0.00 H new ATOM 0 HG3 GLN A 75 3.193 -11.288 7.962 1.00 0.00 H new ATOM 0 HE21 GLN A 75 3.744 -9.694 4.808 1.00 0.00 H new ATOM 0 HE22 GLN A 75 3.474 -11.138 3.827 1.00 0.00 H new ATOM 855 N GLU A 76 0.090 -10.034 10.079 1.00 0.00 N ATOM 856 CA GLU A 76 -0.127 -10.168 11.517 1.00 0.00 C ATOM 857 C GLU A 76 -1.100 -11.315 11.814 1.00 0.00 C ATOM 858 O GLU A 76 -0.889 -12.086 12.750 1.00 0.00 O ATOM 859 CB GLU A 76 -0.588 -8.805 12.066 1.00 0.00 C ATOM 860 CG GLU A 76 -1.030 -8.789 13.535 1.00 0.00 C ATOM 861 CD GLU A 76 -2.537 -9.005 13.725 1.00 0.00 C ATOM 862 OE1 GLU A 76 -3.346 -8.192 13.218 1.00 0.00 O ATOM 863 OE2 GLU A 76 -2.934 -9.882 14.524 1.00 0.00 O ATOM 0 H GLU A 76 -0.187 -9.119 9.724 1.00 0.00 H new ATOM 0 HA GLU A 76 0.797 -10.437 12.028 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.227 -8.092 11.944 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.417 -8.450 11.453 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.489 -9.565 14.077 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.749 -7.834 13.980 1.00 0.00 H new ATOM 870 N SER A 77 -2.094 -11.518 10.949 1.00 0.00 N ATOM 871 CA SER A 77 -3.036 -12.628 11.010 1.00 0.00 C ATOM 872 C SER A 77 -2.461 -13.894 10.353 1.00 0.00 C ATOM 873 O SER A 77 -3.191 -14.863 10.136 1.00 0.00 O ATOM 874 CB SER A 77 -4.351 -12.219 10.373 1.00 0.00 C ATOM 875 OG SER A 77 -4.814 -10.962 10.853 1.00 0.00 O ATOM 0 H SER A 77 -2.268 -10.892 10.163 1.00 0.00 H new ATOM 0 HA SER A 77 -3.217 -12.873 12.057 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.229 -12.170 9.291 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.103 -12.982 10.574 1.00 0.00 H new ATOM 0 HG SER A 77 -4.515 -10.251 10.249 1.00 0.00 H new ATOM 881 N GLY A 78 -1.169 -13.904 10.000 1.00 0.00 N ATOM 882 CA GLY A 78 -0.463 -15.059 9.478 1.00 0.00 C ATOM 883 C GLY A 78 -1.096 -15.517 8.176 1.00 0.00 C ATOM 884 O GLY A 78 -1.222 -16.717 7.922 1.00 0.00 O ATOM 0 H GLY A 78 -0.576 -13.077 10.076 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.585 -14.810 9.313 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.487 -15.869 10.207 1.00 0.00 H new ATOM 888 N SER A 79 -1.570 -14.558 7.394 1.00 0.00 N ATOM 889 CA SER A 79 -2.363 -14.768 6.202 1.00 0.00 C ATOM 890 C SER A 79 -1.720 -13.977 5.053 1.00 0.00 C ATOM 891 O SER A 79 -1.055 -12.970 5.310 1.00 0.00 O ATOM 892 CB SER A 79 -3.808 -14.361 6.511 1.00 0.00 C ATOM 893 OG SER A 79 -4.330 -15.169 7.562 1.00 0.00 O ATOM 0 H SER A 79 -1.402 -13.570 7.586 1.00 0.00 H new ATOM 0 HA SER A 79 -2.390 -15.812 5.889 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.845 -13.310 6.797 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.424 -14.470 5.618 1.00 0.00 H new ATOM 0 HG SER A 79 -3.864 -14.959 8.398 1.00 0.00 H new ATOM 899 N PRO A 80 -1.847 -14.454 3.805 1.00 0.00 N ATOM 900 CA PRO A 80 -1.093 -13.904 2.689 1.00 0.00 C ATOM 901 C PRO A 80 -1.488 -12.470 2.363 1.00 0.00 C ATOM 902 O PRO A 80 -2.593 -12.027 2.670 1.00 0.00 O ATOM 903 CB PRO A 80 -1.336 -14.828 1.491 1.00 0.00 C ATOM 904 CG PRO A 80 -2.504 -15.712 1.900 1.00 0.00 C ATOM 905 CD PRO A 80 -2.527 -15.675 3.420 1.00 0.00 C ATOM 0 HA PRO A 80 -0.035 -13.860 2.948 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -1.571 -14.256 0.593 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -0.451 -15.423 1.267 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -3.441 -15.342 1.484 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -2.373 -16.730 1.534 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.551 -15.685 3.794 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -2.026 -16.548 3.838 1.00 0.00 H new ATOM 913 N ILE A 81 -0.603 -11.789 1.639 1.00 0.00 N ATOM 914 CA ILE A 81 -0.804 -10.429 1.147 1.00 0.00 C ATOM 915 C ILE A 81 -0.921 -10.430 -0.385 1.00 0.00 C ATOM 916 O ILE A 81 -0.648 -9.425 -1.046 1.00 0.00 O ATOM 917 CB ILE A 81 0.269 -9.482 1.725 1.00 0.00 C ATOM 918 CG1 ILE A 81 1.691 -9.813 1.235 1.00 0.00 C ATOM 919 CG2 ILE A 81 0.207 -9.485 3.266 1.00 0.00 C ATOM 920 CD1 ILE A 81 2.660 -8.658 1.482 1.00 0.00 C ATOM 0 H ILE A 81 0.300 -12.180 1.371 1.00 0.00 H new ATOM 0 HA ILE A 81 -1.753 -10.030 1.505 1.00 0.00 H new ATOM 0 HB ILE A 81 0.043 -8.482 1.356 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.052 -10.706 1.745 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.664 -10.043 0.170 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.969 -8.813 3.662 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -0.778 -9.149 3.591 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.386 -10.495 3.635 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.652 -8.932 1.122 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.313 -7.772 0.950 1.00 0.00 H new ATOM 0 HD13 ILE A 81 2.708 -8.445 2.550 1.00 0.00 H new ATOM 932 N ASP A 82 -1.340 -11.566 -0.951 1.00 0.00 N ATOM 933 CA ASP A 82 -1.711 -11.661 -2.356 1.00 0.00 C ATOM 934 C ASP A 82 -2.920 -10.778 -2.635 1.00 0.00 C ATOM 935 O ASP A 82 -3.725 -10.530 -1.737 1.00 0.00 O ATOM 936 CB ASP A 82 -2.029 -13.116 -2.734 1.00 0.00 C ATOM 937 CG ASP A 82 -1.628 -13.404 -4.174 1.00 0.00 C ATOM 938 OD1 ASP A 82 -2.022 -12.623 -5.067 1.00 0.00 O ATOM 939 OD2 ASP A 82 -0.914 -14.405 -4.420 1.00 0.00 O ATOM 0 H ASP A 82 -1.430 -12.445 -0.442 1.00 0.00 H new ATOM 0 HA ASP A 82 -0.870 -11.321 -2.960 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -1.501 -13.794 -2.063 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -3.095 -13.305 -2.604 1.00 0.00 H new ATOM 944 N LEU A 83 -3.083 -10.337 -3.884 1.00 0.00 N ATOM 945 CA LEU A 83 -4.180 -9.473 -4.300 1.00 0.00 C ATOM 946 C LEU A 83 -5.521 -10.107 -3.940 1.00 0.00 C ATOM 947 O LEU A 83 -6.404 -9.424 -3.432 1.00 0.00 O ATOM 948 CB LEU A 83 -4.078 -9.158 -5.799 1.00 0.00 C ATOM 949 CG LEU A 83 -5.293 -8.429 -6.384 1.00 0.00 C ATOM 950 CD1 LEU A 83 -5.700 -7.188 -5.619 1.00 0.00 C ATOM 951 CD2 LEU A 83 -4.957 -7.896 -7.770 1.00 0.00 C ATOM 0 H LEU A 83 -2.445 -10.576 -4.643 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.110 -8.527 -3.764 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -3.190 -8.550 -5.969 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -3.934 -10.091 -6.344 1.00 0.00 H new ATOM 0 HG LEU A 83 -6.090 -9.172 -6.359 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -6.567 -6.733 -6.099 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -5.953 -7.459 -4.594 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -4.874 -6.477 -5.613 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -5.824 -7.379 -8.181 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -4.120 -7.201 -7.700 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -4.686 -8.726 -8.423 1.00 0.00 H new ATOM 963 N ILE A 84 -5.698 -11.406 -4.174 1.00 0.00 N ATOM 964 CA ILE A 84 -6.971 -12.040 -3.931 1.00 0.00 C ATOM 965 C ILE A 84 -7.295 -12.020 -2.436 1.00 0.00 C ATOM 966 O ILE A 84 -8.405 -11.657 -2.039 1.00 0.00 O ATOM 967 CB ILE A 84 -6.906 -13.462 -4.516 1.00 0.00 C ATOM 968 CG1 ILE A 84 -6.132 -13.592 -5.852 1.00 0.00 C ATOM 969 CG2 ILE A 84 -8.329 -14.013 -4.641 1.00 0.00 C ATOM 970 CD1 ILE A 84 -6.733 -12.851 -7.051 1.00 0.00 C ATOM 0 H ILE A 84 -4.973 -12.029 -4.530 1.00 0.00 H new ATOM 0 HA ILE A 84 -7.784 -11.503 -4.420 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.320 -14.058 -3.816 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.116 -13.228 -5.697 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -6.057 -14.650 -6.104 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -8.294 -15.021 -5.055 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -8.796 -14.041 -3.657 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -8.912 -13.370 -5.301 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -6.108 -13.013 -7.929 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -7.737 -13.228 -7.245 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -6.782 -11.784 -6.832 1.00 0.00 H new ATOM 982 N THR A 85 -6.313 -12.367 -1.608 1.00 0.00 N ATOM 983 CA THR A 85 -6.434 -12.371 -0.165 1.00 0.00 C ATOM 984 C THR A 85 -6.772 -10.965 0.321 1.00 0.00 C ATOM 985 O THR A 85 -7.733 -10.782 1.067 1.00 0.00 O ATOM 986 CB THR A 85 -5.139 -12.886 0.487 1.00 0.00 C ATOM 987 OG1 THR A 85 -4.470 -13.823 -0.347 1.00 0.00 O ATOM 988 CG2 THR A 85 -5.465 -13.493 1.855 1.00 0.00 C ATOM 0 H THR A 85 -5.392 -12.659 -1.936 1.00 0.00 H new ATOM 0 HA THR A 85 -7.239 -13.046 0.126 1.00 0.00 H new ATOM 0 HB THR A 85 -4.458 -12.046 0.624 1.00 0.00 H new ATOM 0 HG1 THR A 85 -3.504 -13.665 -0.307 1.00 0.00 H new ATOM 0 HG21 THR A 85 -4.549 -13.859 2.319 1.00 0.00 H new ATOM 0 HG22 THR A 85 -5.916 -12.732 2.492 1.00 0.00 H new ATOM 0 HG23 THR A 85 -6.163 -14.321 1.729 1.00 0.00 H new ATOM 996 N LEU A 86 -5.992 -9.990 -0.136 1.00 0.00 N ATOM 997 CA LEU A 86 -6.067 -8.572 0.163 1.00 0.00 C ATOM 998 C LEU A 86 -7.446 -8.030 -0.129 1.00 0.00 C ATOM 999 O LEU A 86 -8.065 -7.441 0.752 1.00 0.00 O ATOM 1000 CB LEU A 86 -5.030 -7.842 -0.697 1.00 0.00 C ATOM 1001 CG LEU A 86 -5.040 -6.310 -0.578 1.00 0.00 C ATOM 1002 CD1 LEU A 86 -4.605 -5.843 0.815 1.00 0.00 C ATOM 1003 CD2 LEU A 86 -4.121 -5.748 -1.664 1.00 0.00 C ATOM 0 H LEU A 86 -5.227 -10.194 -0.780 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.863 -8.416 1.222 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.038 -8.205 -0.427 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.194 -8.110 -1.741 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.056 -5.940 -0.717 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.626 -4.754 0.857 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -5.286 -6.248 1.564 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.593 -6.194 1.017 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.109 -4.660 -1.603 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -3.111 -6.131 -1.520 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.488 -6.052 -2.644 1.00 0.00 H new ATOM 1015 N ALA A 87 -7.895 -8.197 -1.372 1.00 0.00 N ATOM 1016 CA ALA A 87 -9.158 -7.646 -1.822 1.00 0.00 C ATOM 1017 C ALA A 87 -10.285 -8.168 -0.936 1.00 0.00 C ATOM 1018 O ALA A 87 -11.102 -7.388 -0.446 1.00 0.00 O ATOM 1019 CB ALA A 87 -9.395 -8.003 -3.289 1.00 0.00 C ATOM 0 H ALA A 87 -7.390 -8.718 -2.089 1.00 0.00 H new ATOM 0 HA ALA A 87 -9.132 -6.559 -1.744 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -10.347 -7.584 -3.616 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -8.589 -7.593 -3.898 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -9.418 -9.087 -3.400 1.00 0.00 H new ATOM 1025 N GLU A 88 -10.313 -9.481 -0.706 1.00 0.00 N ATOM 1026 CA GLU A 88 -11.326 -10.077 0.145 1.00 0.00 C ATOM 1027 C GLU A 88 -11.190 -9.619 1.599 1.00 0.00 C ATOM 1028 O GLU A 88 -12.194 -9.385 2.264 1.00 0.00 O ATOM 1029 CB GLU A 88 -11.348 -11.601 -0.015 1.00 0.00 C ATOM 1030 CG GLU A 88 -11.937 -11.971 -1.391 1.00 0.00 C ATOM 1031 CD GLU A 88 -12.208 -13.465 -1.571 1.00 0.00 C ATOM 1032 OE1 GLU A 88 -12.603 -14.157 -0.602 1.00 0.00 O ATOM 1033 OE2 GLU A 88 -12.107 -13.965 -2.717 1.00 0.00 O ATOM 0 H GLU A 88 -9.645 -10.145 -1.099 1.00 0.00 H new ATOM 0 HA GLU A 88 -12.302 -9.718 -0.182 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -10.338 -12.001 0.078 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.944 -12.051 0.779 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -12.868 -11.423 -1.535 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -11.249 -11.641 -2.170 1.00 0.00 H new ATOM 1040 N SER A 89 -9.976 -9.431 2.114 1.00 0.00 N ATOM 1041 CA SER A 89 -9.806 -9.047 3.505 1.00 0.00 C ATOM 1042 C SER A 89 -10.214 -7.584 3.721 1.00 0.00 C ATOM 1043 O SER A 89 -10.792 -7.239 4.754 1.00 0.00 O ATOM 1044 CB SER A 89 -8.370 -9.340 3.937 1.00 0.00 C ATOM 1045 OG SER A 89 -8.334 -9.747 5.288 1.00 0.00 O ATOM 0 H SER A 89 -9.107 -9.538 1.591 1.00 0.00 H new ATOM 0 HA SER A 89 -10.467 -9.638 4.139 1.00 0.00 H new ATOM 0 HB2 SER A 89 -7.946 -10.120 3.305 1.00 0.00 H new ATOM 0 HB3 SER A 89 -7.755 -8.450 3.802 1.00 0.00 H new ATOM 0 HG SER A 89 -7.428 -9.626 5.642 1.00 0.00 H new ATOM 1051 N LEU A 90 -9.979 -6.728 2.725 1.00 0.00 N ATOM 1052 CA LEU A 90 -10.407 -5.340 2.742 1.00 0.00 C ATOM 1053 C LEU A 90 -11.928 -5.264 2.830 1.00 0.00 C ATOM 1054 O LEU A 90 -12.427 -4.432 3.584 1.00 0.00 O ATOM 1055 CB LEU A 90 -9.895 -4.597 1.498 1.00 0.00 C ATOM 1056 CG LEU A 90 -8.441 -4.101 1.602 1.00 0.00 C ATOM 1057 CD1 LEU A 90 -7.906 -3.799 0.201 1.00 0.00 C ATOM 1058 CD2 LEU A 90 -8.343 -2.816 2.439 1.00 0.00 C ATOM 0 H LEU A 90 -9.479 -6.989 1.875 1.00 0.00 H new ATOM 0 HA LEU A 90 -9.982 -4.854 3.620 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.979 -5.258 0.636 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -10.544 -3.742 1.308 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.857 -4.884 2.085 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.877 -3.448 0.273 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -7.939 -4.705 -0.404 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.521 -3.029 -0.265 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -7.303 -2.494 2.491 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -8.942 -2.033 1.975 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -8.714 -3.008 3.446 1.00 0.00 H new ATOM 1070 N GLU A 91 -12.690 -6.061 2.069 1.00 0.00 N ATOM 1071 CA GLU A 91 -14.153 -6.026 2.181 1.00 0.00 C ATOM 1072 C GLU A 91 -14.650 -6.533 3.535 1.00 0.00 C ATOM 1073 O GLU A 91 -15.664 -6.021 4.013 1.00 0.00 O ATOM 1074 CB GLU A 91 -14.894 -6.693 1.015 1.00 0.00 C ATOM 1075 CG GLU A 91 -14.635 -8.189 0.871 1.00 0.00 C ATOM 1076 CD GLU A 91 -15.638 -8.884 -0.042 1.00 0.00 C ATOM 1077 OE1 GLU A 91 -16.090 -8.282 -1.047 1.00 0.00 O ATOM 1078 OE2 GLU A 91 -15.972 -10.059 0.220 1.00 0.00 O ATOM 0 H GLU A 91 -12.328 -6.724 1.384 1.00 0.00 H new ATOM 0 HA GLU A 91 -14.406 -4.968 2.115 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -15.965 -6.534 1.143 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -14.607 -6.197 0.088 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -13.629 -8.342 0.479 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -14.667 -8.654 1.856 1.00 0.00 H new ATOM 1085 N ARG A 92 -13.942 -7.466 4.183 1.00 0.00 N ATOM 1086 CA ARG A 92 -14.281 -7.870 5.550 1.00 0.00 C ATOM 1087 C ARG A 92 -14.154 -6.682 6.488 1.00 0.00 C ATOM 1088 O ARG A 92 -15.082 -6.382 7.237 1.00 0.00 O ATOM 1089 CB ARG A 92 -13.413 -9.030 6.046 1.00 0.00 C ATOM 1090 CG ARG A 92 -13.654 -10.324 5.264 1.00 0.00 C ATOM 1091 CD ARG A 92 -12.986 -11.521 5.936 1.00 0.00 C ATOM 1092 NE ARG A 92 -11.524 -11.398 6.056 1.00 0.00 N ATOM 1093 CZ ARG A 92 -10.701 -12.409 6.349 1.00 0.00 C ATOM 1094 NH1 ARG A 92 -11.192 -13.601 6.683 1.00 0.00 N ATOM 1095 NH2 ARG A 92 -9.388 -12.222 6.297 1.00 0.00 N ATOM 0 H ARG A 92 -13.138 -7.951 3.786 1.00 0.00 H new ATOM 0 HA ARG A 92 -15.313 -8.221 5.540 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -12.362 -8.752 5.966 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -13.617 -9.205 7.102 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -14.726 -10.505 5.180 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -13.269 -10.214 4.250 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -13.413 -11.652 6.930 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -13.220 -12.421 5.368 1.00 0.00 H new ATOM 0 HE ARG A 92 -11.111 -10.478 5.905 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -12.201 -13.746 6.716 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -10.559 -14.369 6.906 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -9.013 -11.311 6.035 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -8.754 -12.990 6.520 1.00 0.00 H new ATOM 1109 N GLN A 93 -13.066 -5.927 6.361 1.00 0.00 N ATOM 1110 CA GLN A 93 -12.871 -4.695 7.114 1.00 0.00 C ATOM 1111 C GLN A 93 -13.759 -3.564 6.584 1.00 0.00 C ATOM 1112 O GLN A 93 -13.803 -2.494 7.195 1.00 0.00 O ATOM 1113 CB GLN A 93 -11.389 -4.302 7.057 1.00 0.00 C ATOM 1114 CG GLN A 93 -10.535 -5.249 7.911 1.00 0.00 C ATOM 1115 CD GLN A 93 -10.060 -4.581 9.199 1.00 0.00 C ATOM 1116 OE1 GLN A 93 -10.732 -4.626 10.230 1.00 0.00 O ATOM 1117 NE2 GLN A 93 -8.917 -3.915 9.183 1.00 0.00 N ATOM 0 H GLN A 93 -12.295 -6.154 5.732 1.00 0.00 H new ATOM 0 HA GLN A 93 -13.162 -4.866 8.150 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -11.042 -4.326 6.024 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -11.267 -3.278 7.410 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -11.114 -6.139 8.156 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -9.672 -5.580 7.334 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -8.360 -3.878 8.329 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -8.592 -3.439 10.025 1.00 0.00 H new ATOM 1126 N GLY A 94 -14.495 -3.766 5.489 1.00 0.00 N ATOM 1127 CA GLY A 94 -15.423 -2.786 4.963 1.00 0.00 C ATOM 1128 C GLY A 94 -14.724 -1.645 4.238 1.00 0.00 C ATOM 1129 O GLY A 94 -15.337 -0.588 4.086 1.00 0.00 O ATOM 0 H GLY A 94 -14.457 -4.627 4.943 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -16.114 -3.277 4.278 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -16.019 -2.381 5.781 1.00 0.00 H new ATOM 1133 N GLN A 95 -13.465 -1.832 3.833 1.00 0.00 N ATOM 1134 CA GLN A 95 -12.617 -0.818 3.224 1.00 0.00 C ATOM 1135 C GLN A 95 -12.274 -1.146 1.762 1.00 0.00 C ATOM 1136 O GLN A 95 -11.569 -0.362 1.130 1.00 0.00 O ATOM 1137 CB GLN A 95 -11.327 -0.607 4.045 1.00 0.00 C ATOM 1138 CG GLN A 95 -11.496 -0.391 5.560 1.00 0.00 C ATOM 1139 CD GLN A 95 -12.522 0.681 5.935 1.00 0.00 C ATOM 1140 OE1 GLN A 95 -12.351 1.868 5.663 1.00 0.00 O ATOM 1141 NE2 GLN A 95 -13.597 0.300 6.604 1.00 0.00 N ATOM 0 H GLN A 95 -12.995 -2.732 3.927 1.00 0.00 H new ATOM 0 HA GLN A 95 -13.188 0.110 3.225 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -10.683 -1.474 3.895 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -10.801 0.255 3.635 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -11.791 -1.335 6.019 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -10.531 -0.117 5.986 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -13.736 -0.685 6.828 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -14.288 0.991 6.896 1.00 0.00 H new ATOM 1150 N LEU A 96 -12.744 -2.268 1.191 1.00 0.00 N ATOM 1151 CA LEU A 96 -12.482 -2.576 -0.223 1.00 0.00 C ATOM 1152 C LEU A 96 -13.051 -1.476 -1.102 1.00 0.00 C ATOM 1153 O LEU A 96 -12.386 -0.987 -2.012 1.00 0.00 O ATOM 1154 CB LEU A 96 -13.040 -3.933 -0.649 1.00 0.00 C ATOM 1155 CG LEU A 96 -12.761 -4.254 -2.130 1.00 0.00 C ATOM 1156 CD1 LEU A 96 -11.262 -4.306 -2.459 1.00 0.00 C ATOM 1157 CD2 LEU A 96 -13.384 -5.605 -2.446 1.00 0.00 C ATOM 0 H LEU A 96 -13.301 -2.968 1.681 1.00 0.00 H new ATOM 0 HA LEU A 96 -11.400 -2.630 -0.345 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -12.604 -4.713 -0.024 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -14.116 -3.950 -0.475 1.00 0.00 H new ATOM 0 HG LEU A 96 -13.192 -3.455 -2.733 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -11.129 -4.536 -3.516 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -10.807 -3.340 -2.238 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -10.784 -5.079 -1.857 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -13.200 -5.855 -3.491 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -12.941 -6.368 -1.807 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -14.458 -5.561 -2.267 1.00 0.00 H new ATOM 1169 N ASP A 97 -14.279 -1.060 -0.817 1.00 0.00 N ATOM 1170 CA ASP A 97 -14.880 0.018 -1.582 1.00 0.00 C ATOM 1171 C ASP A 97 -14.102 1.311 -1.359 1.00 0.00 C ATOM 1172 O ASP A 97 -13.820 2.040 -2.310 1.00 0.00 O ATOM 1173 CB ASP A 97 -16.354 0.158 -1.209 1.00 0.00 C ATOM 1174 CG ASP A 97 -17.175 0.688 -2.376 1.00 0.00 C ATOM 1175 OD1 ASP A 97 -17.009 0.165 -3.507 1.00 0.00 O ATOM 1176 OD2 ASP A 97 -18.066 1.531 -2.119 1.00 0.00 O ATOM 0 H ASP A 97 -14.866 -1.445 -0.077 1.00 0.00 H new ATOM 0 HA ASP A 97 -14.832 -0.211 -2.647 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -16.745 -0.810 -0.897 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -16.453 0.831 -0.357 1.00 0.00 H new ATOM 1181 N SER A 98 -13.662 1.554 -0.122 1.00 0.00 N ATOM 1182 CA SER A 98 -12.871 2.707 0.282 1.00 0.00 C ATOM 1183 C SER A 98 -11.511 2.796 -0.424 1.00 0.00 C ATOM 1184 O SER A 98 -10.999 3.905 -0.568 1.00 0.00 O ATOM 1185 CB SER A 98 -12.690 2.691 1.804 1.00 0.00 C ATOM 1186 OG SER A 98 -13.905 2.358 2.453 1.00 0.00 O ATOM 0 H SER A 98 -13.858 0.923 0.655 1.00 0.00 H new ATOM 0 HA SER A 98 -13.421 3.597 -0.023 1.00 0.00 H new ATOM 0 HB2 SER A 98 -11.919 1.970 2.075 1.00 0.00 H new ATOM 0 HB3 SER A 98 -12.347 3.668 2.144 1.00 0.00 H new ATOM 0 HG SER A 98 -13.767 2.352 3.423 1.00 0.00 H new ATOM 1192 N VAL A 99 -10.912 1.691 -0.891 1.00 0.00 N ATOM 1193 CA VAL A 99 -9.668 1.769 -1.664 1.00 0.00 C ATOM 1194 C VAL A 99 -9.923 2.044 -3.147 1.00 0.00 C ATOM 1195 O VAL A 99 -8.963 2.253 -3.890 1.00 0.00 O ATOM 1196 CB VAL A 99 -8.759 0.536 -1.470 1.00 0.00 C ATOM 1197 CG1 VAL A 99 -8.295 0.446 -0.016 1.00 0.00 C ATOM 1198 CG2 VAL A 99 -9.379 -0.792 -1.888 1.00 0.00 C ATOM 0 H VAL A 99 -11.265 0.745 -0.748 1.00 0.00 H new ATOM 0 HA VAL A 99 -9.126 2.624 -1.261 1.00 0.00 H new ATOM 0 HB VAL A 99 -7.916 0.697 -2.142 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -7.655 -0.427 0.108 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -7.737 1.345 0.244 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -9.162 0.356 0.638 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -8.665 -1.597 -1.714 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -10.280 -0.973 -1.302 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -9.635 -0.757 -2.947 1.00 0.00 H new ATOM 1208 N GLY A 100 -11.177 2.068 -3.599 1.00 0.00 N ATOM 1209 CA GLY A 100 -11.503 2.118 -5.015 1.00 0.00 C ATOM 1210 C GLY A 100 -11.677 0.716 -5.602 1.00 0.00 C ATOM 1211 O GLY A 100 -11.357 0.499 -6.776 1.00 0.00 O ATOM 0 H GLY A 100 -11.994 2.053 -2.988 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -12.420 2.689 -5.158 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -10.713 2.643 -5.553 1.00 0.00 H new ATOM 1215 N GLY A 101 -12.168 -0.223 -4.789 1.00 0.00 N ATOM 1216 CA GLY A 101 -12.618 -1.539 -5.199 1.00 0.00 C ATOM 1217 C GLY A 101 -11.497 -2.478 -5.632 1.00 0.00 C ATOM 1218 O GLY A 101 -10.315 -2.119 -5.700 1.00 0.00 O ATOM 0 H GLY A 101 -12.263 -0.072 -3.785 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -13.162 -1.998 -4.373 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -13.323 -1.429 -6.023 1.00 0.00 H new ATOM 1222 N PHE A 102 -11.889 -3.700 -5.994 1.00 0.00 N ATOM 1223 CA PHE A 102 -11.052 -4.701 -6.652 1.00 0.00 C ATOM 1224 C PHE A 102 -10.853 -4.303 -8.124 1.00 0.00 C ATOM 1225 O PHE A 102 -11.105 -5.082 -9.046 1.00 0.00 O ATOM 1226 CB PHE A 102 -11.693 -6.094 -6.488 1.00 0.00 C ATOM 1227 CG PHE A 102 -10.778 -7.301 -6.660 1.00 0.00 C ATOM 1228 CD1 PHE A 102 -9.560 -7.236 -7.374 1.00 0.00 C ATOM 1229 CD2 PHE A 102 -11.154 -8.522 -6.063 1.00 0.00 C ATOM 1230 CE1 PHE A 102 -8.730 -8.362 -7.462 1.00 0.00 C ATOM 1231 CE2 PHE A 102 -10.296 -9.634 -6.114 1.00 0.00 C ATOM 1232 CZ PHE A 102 -9.074 -9.547 -6.798 1.00 0.00 C ATOM 0 H PHE A 102 -12.839 -4.032 -5.829 1.00 0.00 H new ATOM 0 HA PHE A 102 -10.065 -4.748 -6.192 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -12.140 -6.146 -5.495 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -12.506 -6.180 -7.209 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -9.267 -6.314 -7.854 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -12.108 -8.603 -5.563 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -7.821 -8.316 -8.044 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -10.577 -10.556 -5.627 1.00 0.00 H new ATOM 0 HZ PHE A 102 -8.400 -10.391 -6.813 1.00 0.00 H new ATOM 1242 N ALA A 103 -10.424 -3.064 -8.344 1.00 0.00 N ATOM 1243 CA ALA A 103 -10.092 -2.457 -9.617 1.00 0.00 C ATOM 1244 C ALA A 103 -8.819 -1.654 -9.400 1.00 0.00 C ATOM 1245 O ALA A 103 -7.802 -1.950 -10.019 1.00 0.00 O ATOM 1246 CB ALA A 103 -11.246 -1.573 -10.095 1.00 0.00 C ATOM 0 H ALA A 103 -10.291 -2.411 -7.571 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.932 -3.207 -10.391 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -10.986 -1.122 -11.053 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -12.144 -2.179 -10.211 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -11.431 -0.788 -9.362 1.00 0.00 H new ATOM 1252 N TYR A 104 -8.827 -0.729 -8.436 1.00 0.00 N ATOM 1253 CA TYR A 104 -7.640 0.055 -8.119 1.00 0.00 C ATOM 1254 C TYR A 104 -6.515 -0.848 -7.601 1.00 0.00 C ATOM 1255 O TYR A 104 -5.350 -0.628 -7.920 1.00 0.00 O ATOM 1256 CB TYR A 104 -8.014 1.112 -7.081 1.00 0.00 C ATOM 1257 CG TYR A 104 -6.876 2.044 -6.719 1.00 0.00 C ATOM 1258 CD1 TYR A 104 -6.481 3.048 -7.624 1.00 0.00 C ATOM 1259 CD2 TYR A 104 -6.243 1.938 -5.467 1.00 0.00 C ATOM 1260 CE1 TYR A 104 -5.483 3.968 -7.265 1.00 0.00 C ATOM 1261 CE2 TYR A 104 -5.242 2.854 -5.105 1.00 0.00 C ATOM 1262 CZ TYR A 104 -4.870 3.882 -5.997 1.00 0.00 C ATOM 1263 OH TYR A 104 -3.970 4.813 -5.595 1.00 0.00 O ATOM 0 H TYR A 104 -9.643 -0.508 -7.865 1.00 0.00 H new ATOM 0 HA TYR A 104 -7.273 0.546 -9.021 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -8.847 1.702 -7.462 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -8.363 0.613 -6.177 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -6.947 3.110 -8.596 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -6.527 1.151 -4.784 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -5.185 4.740 -7.958 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -4.757 2.772 -4.144 1.00 0.00 H new ATOM 0 HH TYR A 104 -4.008 4.905 -4.620 1.00 0.00 H new ATOM 1273 N LEU A 105 -6.851 -1.913 -6.863 1.00 0.00 N ATOM 1274 CA LEU A 105 -5.846 -2.889 -6.447 1.00 0.00 C ATOM 1275 C LEU A 105 -5.224 -3.580 -7.657 1.00 0.00 C ATOM 1276 O LEU A 105 -4.011 -3.764 -7.701 1.00 0.00 O ATOM 1277 CB LEU A 105 -6.428 -3.961 -5.522 1.00 0.00 C ATOM 1278 CG LEU A 105 -7.169 -3.456 -4.275 1.00 0.00 C ATOM 1279 CD1 LEU A 105 -7.778 -4.644 -3.527 1.00 0.00 C ATOM 1280 CD2 LEU A 105 -6.204 -2.697 -3.361 1.00 0.00 C ATOM 0 H LEU A 105 -7.799 -2.116 -6.547 1.00 0.00 H new ATOM 0 HA LEU A 105 -5.085 -2.330 -5.902 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -7.115 -4.577 -6.102 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -5.615 -4.610 -5.197 1.00 0.00 H new ATOM 0 HG LEU A 105 -7.965 -2.777 -4.580 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -8.304 -4.286 -2.642 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -8.479 -5.164 -4.180 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -6.986 -5.329 -3.226 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -6.740 -2.343 -2.480 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -5.397 -3.361 -3.053 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -5.788 -1.845 -3.899 1.00 0.00 H new ATOM 1292 N ALA A 106 -6.051 -3.993 -8.622 1.00 0.00 N ATOM 1293 CA ALA A 106 -5.575 -4.685 -9.808 1.00 0.00 C ATOM 1294 C ALA A 106 -4.710 -3.768 -10.675 1.00 0.00 C ATOM 1295 O ALA A 106 -3.782 -4.234 -11.334 1.00 0.00 O ATOM 1296 CB ALA A 106 -6.766 -5.211 -10.604 1.00 0.00 C ATOM 0 H ALA A 106 -7.061 -3.855 -8.597 1.00 0.00 H new ATOM 0 HA ALA A 106 -4.952 -5.523 -9.496 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -6.409 -5.730 -11.493 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -7.340 -5.902 -9.987 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -7.402 -4.377 -10.901 1.00 0.00 H new ATOM 1302 N GLU A 107 -5.018 -2.468 -10.687 1.00 0.00 N ATOM 1303 CA GLU A 107 -4.221 -1.433 -11.330 1.00 0.00 C ATOM 1304 C GLU A 107 -2.821 -1.460 -10.720 1.00 0.00 C ATOM 1305 O GLU A 107 -1.857 -1.725 -11.433 1.00 0.00 O ATOM 1306 CB GLU A 107 -4.912 -0.063 -11.175 1.00 0.00 C ATOM 1307 CG GLU A 107 -4.353 1.020 -12.107 1.00 0.00 C ATOM 1308 CD GLU A 107 -5.088 1.058 -13.448 1.00 0.00 C ATOM 1309 OE1 GLU A 107 -4.994 0.085 -14.230 1.00 0.00 O ATOM 1310 OE2 GLU A 107 -5.766 2.071 -13.740 1.00 0.00 O ATOM 0 H GLU A 107 -5.855 -2.101 -10.234 1.00 0.00 H new ATOM 0 HA GLU A 107 -4.131 -1.615 -12.401 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -5.978 -0.180 -11.368 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -4.809 0.271 -10.142 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -4.434 1.993 -11.622 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -3.292 0.837 -12.280 1.00 0.00 H new ATOM 1317 N LEU A 108 -2.722 -1.275 -9.398 1.00 0.00 N ATOM 1318 CA LEU A 108 -1.460 -1.271 -8.655 1.00 0.00 C ATOM 1319 C LEU A 108 -0.646 -2.524 -8.959 1.00 0.00 C ATOM 1320 O LEU A 108 0.536 -2.432 -9.290 1.00 0.00 O ATOM 1321 CB LEU A 108 -1.729 -1.189 -7.143 1.00 0.00 C ATOM 1322 CG LEU A 108 -2.295 0.160 -6.676 1.00 0.00 C ATOM 1323 CD1 LEU A 108 -2.870 0.002 -5.271 1.00 0.00 C ATOM 1324 CD2 LEU A 108 -1.215 1.232 -6.614 1.00 0.00 C ATOM 0 H LEU A 108 -3.536 -1.121 -8.804 1.00 0.00 H new ATOM 0 HA LEU A 108 -0.890 -0.397 -8.968 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -2.428 -1.979 -6.866 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -0.799 -1.385 -6.609 1.00 0.00 H new ATOM 0 HG LEU A 108 -3.059 0.463 -7.392 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.274 0.957 -4.934 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -3.665 -0.744 -5.285 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.083 -0.320 -4.590 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -1.654 2.172 -6.280 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -0.438 0.925 -5.914 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -0.779 1.367 -7.604 1.00 0.00 H new ATOM 1336 N SER A 109 -1.289 -3.690 -8.876 1.00 0.00 N ATOM 1337 CA SER A 109 -0.679 -4.998 -9.080 1.00 0.00 C ATOM 1338 C SER A 109 0.018 -5.097 -10.443 1.00 0.00 C ATOM 1339 O SER A 109 0.997 -5.833 -10.591 1.00 0.00 O ATOM 1340 CB SER A 109 -1.782 -6.060 -8.953 1.00 0.00 C ATOM 1341 OG SER A 109 -1.305 -7.249 -8.352 1.00 0.00 O ATOM 0 H SER A 109 -2.284 -3.748 -8.657 1.00 0.00 H new ATOM 0 HA SER A 109 0.092 -5.158 -8.327 1.00 0.00 H new ATOM 0 HB2 SER A 109 -2.605 -5.659 -8.361 1.00 0.00 H new ATOM 0 HB3 SER A 109 -2.182 -6.288 -9.941 1.00 0.00 H new ATOM 0 HG SER A 109 -1.383 -7.177 -7.378 1.00 0.00 H new ATOM 1347 N LYS A 110 -0.456 -4.347 -11.442 1.00 0.00 N ATOM 1348 CA LYS A 110 0.055 -4.363 -12.811 1.00 0.00 C ATOM 1349 C LYS A 110 0.625 -2.991 -13.184 1.00 0.00 C ATOM 1350 O LYS A 110 0.706 -2.656 -14.369 1.00 0.00 O ATOM 1351 CB LYS A 110 -1.077 -4.815 -13.739 1.00 0.00 C ATOM 1352 CG LYS A 110 -1.503 -6.280 -13.506 1.00 0.00 C ATOM 1353 CD LYS A 110 -2.876 -6.616 -14.109 1.00 0.00 C ATOM 1354 CE LYS A 110 -3.102 -6.022 -15.502 1.00 0.00 C ATOM 1355 NZ LYS A 110 -2.213 -6.596 -16.527 1.00 0.00 N ATOM 0 H LYS A 110 -1.229 -3.693 -11.314 1.00 0.00 H new ATOM 0 HA LYS A 110 0.880 -5.068 -12.912 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -1.940 -4.165 -13.593 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -0.759 -4.696 -14.775 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -0.752 -6.942 -13.937 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -1.526 -6.479 -12.434 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -2.983 -7.699 -14.165 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -3.655 -6.253 -13.439 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -4.139 -6.186 -15.796 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -2.949 -4.944 -15.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -2.414 -6.155 -17.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -1.222 -6.418 -16.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -2.375 -7.621 -16.592 1.00 0.00 H new ATOM 1369 N ASN A 111 1.019 -2.201 -12.187 1.00 0.00 N ATOM 1370 CA ASN A 111 1.613 -0.879 -12.310 1.00 0.00 C ATOM 1371 C ASN A 111 2.893 -0.866 -11.474 1.00 0.00 C ATOM 1372 O ASN A 111 3.096 -0.022 -10.602 1.00 0.00 O ATOM 1373 CB ASN A 111 0.590 0.180 -11.870 1.00 0.00 C ATOM 1374 CG ASN A 111 1.098 1.603 -12.025 1.00 0.00 C ATOM 1375 OD1 ASN A 111 2.095 1.866 -12.698 1.00 0.00 O ATOM 1376 ND2 ASN A 111 0.409 2.559 -11.436 1.00 0.00 N ATOM 0 H ASN A 111 0.924 -2.489 -11.213 1.00 0.00 H new ATOM 0 HA ASN A 111 1.879 -0.642 -13.340 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -0.322 0.061 -12.456 1.00 0.00 H new ATOM 0 HB3 ASN A 111 0.324 0.008 -10.827 1.00 0.00 H new ATOM 0 HD21 ASN A 111 0.699 3.532 -11.534 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -0.415 2.326 -10.882 1.00 0.00 H new ATOM 1383 N THR A 112 3.735 -1.881 -11.666 1.00 0.00 N ATOM 1384 CA THR A 112 4.995 -2.060 -10.955 1.00 0.00 C ATOM 1385 C THR A 112 5.979 -2.777 -11.894 1.00 0.00 C ATOM 1386 O THR A 112 5.557 -3.686 -12.616 1.00 0.00 O ATOM 1387 CB THR A 112 4.718 -2.901 -9.696 1.00 0.00 C ATOM 1388 OG1 THR A 112 3.866 -2.213 -8.807 1.00 0.00 O ATOM 1389 CG2 THR A 112 5.990 -3.242 -8.917 1.00 0.00 C ATOM 0 H THR A 112 3.551 -2.623 -12.342 1.00 0.00 H new ATOM 0 HA THR A 112 5.428 -1.106 -10.654 1.00 0.00 H new ATOM 0 HB THR A 112 4.257 -3.819 -10.060 1.00 0.00 H new ATOM 0 HG1 THR A 112 4.254 -2.225 -7.907 1.00 0.00 H new ATOM 0 HG21 THR A 112 5.732 -3.836 -8.040 1.00 0.00 H new ATOM 0 HG22 THR A 112 6.666 -3.812 -9.555 1.00 0.00 H new ATOM 0 HG23 THR A 112 6.480 -2.322 -8.600 1.00 0.00 H new ATOM 1397 N PRO A 113 7.284 -2.448 -11.873 1.00 0.00 N ATOM 1398 CA PRO A 113 8.310 -3.213 -12.572 1.00 0.00 C ATOM 1399 C PRO A 113 8.626 -4.511 -11.808 1.00 0.00 C ATOM 1400 O PRO A 113 9.667 -4.617 -11.166 1.00 0.00 O ATOM 1401 CB PRO A 113 9.510 -2.264 -12.664 1.00 0.00 C ATOM 1402 CG PRO A 113 9.400 -1.490 -11.355 1.00 0.00 C ATOM 1403 CD PRO A 113 7.891 -1.295 -11.216 1.00 0.00 C ATOM 0 HA PRO A 113 8.001 -3.539 -13.565 1.00 0.00 H new ATOM 0 HB2 PRO A 113 10.453 -2.805 -12.741 1.00 0.00 H new ATOM 0 HB3 PRO A 113 9.447 -1.609 -13.533 1.00 0.00 H new ATOM 0 HG2 PRO A 113 9.817 -2.048 -10.517 1.00 0.00 H new ATOM 0 HG3 PRO A 113 9.930 -0.539 -11.400 1.00 0.00 H new ATOM 0 HD2 PRO A 113 7.598 -1.242 -10.168 1.00 0.00 H new ATOM 0 HD3 PRO A 113 7.571 -0.364 -11.684 1.00 0.00 H new ATOM 1411 N SER A 114 7.717 -5.489 -11.846 1.00 0.00 N ATOM 1412 CA SER A 114 7.903 -6.866 -11.382 1.00 0.00 C ATOM 1413 C SER A 114 8.696 -7.001 -10.062 1.00 0.00 C ATOM 1414 O SER A 114 9.622 -7.807 -9.962 1.00 0.00 O ATOM 1415 CB SER A 114 8.498 -7.669 -12.550 1.00 0.00 C ATOM 1416 OG SER A 114 8.337 -9.058 -12.361 1.00 0.00 O ATOM 0 H SER A 114 6.782 -5.333 -12.221 1.00 0.00 H new ATOM 0 HA SER A 114 6.934 -7.280 -11.103 1.00 0.00 H new ATOM 0 HB2 SER A 114 8.016 -7.370 -13.481 1.00 0.00 H new ATOM 0 HB3 SER A 114 9.558 -7.435 -12.650 1.00 0.00 H new ATOM 0 HG SER A 114 8.670 -9.308 -11.474 1.00 0.00 H new ATOM 1422 N ALA A 115 8.342 -6.211 -9.033 1.00 0.00 N ATOM 1423 CA ALA A 115 8.984 -6.191 -7.709 1.00 0.00 C ATOM 1424 C ALA A 115 10.503 -5.917 -7.725 1.00 0.00 C ATOM 1425 O ALA A 115 11.167 -6.044 -6.695 1.00 0.00 O ATOM 1426 CB ALA A 115 8.656 -7.497 -6.966 1.00 0.00 C ATOM 0 H ALA A 115 7.573 -5.545 -9.104 1.00 0.00 H new ATOM 0 HA ALA A 115 8.567 -5.336 -7.176 1.00 0.00 H new ATOM 0 HB1 ALA A 115 9.130 -7.486 -5.984 1.00 0.00 H new ATOM 0 HB2 ALA A 115 7.576 -7.586 -6.847 1.00 0.00 H new ATOM 0 HB3 ALA A 115 9.029 -8.345 -7.540 1.00 0.00 H new ATOM 1432 N ALA A 116 11.074 -5.525 -8.864 1.00 0.00 N ATOM 1433 CA ALA A 116 12.506 -5.444 -9.122 1.00 0.00 C ATOM 1434 C ALA A 116 13.170 -4.149 -8.640 1.00 0.00 C ATOM 1435 O ALA A 116 14.320 -3.891 -9.008 1.00 0.00 O ATOM 1436 CB ALA A 116 12.705 -5.589 -10.635 1.00 0.00 C ATOM 0 H ALA A 116 10.519 -5.241 -9.671 1.00 0.00 H new ATOM 0 HA ALA A 116 12.987 -6.240 -8.554 1.00 0.00 H new ATOM 0 HB1 ALA A 116 13.768 -5.533 -10.869 1.00 0.00 H new ATOM 0 HB2 ALA A 116 12.311 -6.551 -10.963 1.00 0.00 H new ATOM 0 HB3 ALA A 116 12.178 -4.786 -11.150 1.00 0.00 H new ATOM 1442 N ASN A 117 12.468 -3.270 -7.915 1.00 0.00 N ATOM 1443 CA ASN A 117 13.055 -2.002 -7.460 1.00 0.00 C ATOM 1444 C ASN A 117 12.337 -1.421 -6.239 1.00 0.00 C ATOM 1445 O ASN A 117 12.307 -0.200 -6.050 1.00 0.00 O ATOM 1446 CB ASN A 117 13.062 -0.997 -8.632 1.00 0.00 C ATOM 1447 CG ASN A 117 14.392 -0.260 -8.736 1.00 0.00 C ATOM 1448 OD1 ASN A 117 15.168 -0.179 -7.789 1.00 0.00 O ATOM 1449 ND2 ASN A 117 14.693 0.255 -9.912 1.00 0.00 N ATOM 0 H ASN A 117 11.498 -3.411 -7.632 1.00 0.00 H new ATOM 0 HA ASN A 117 14.078 -2.200 -7.139 1.00 0.00 H new ATOM 0 HB2 ASN A 117 12.865 -1.525 -9.565 1.00 0.00 H new ATOM 0 HB3 ASN A 117 12.256 -0.276 -8.497 1.00 0.00 H new ATOM 0 HD21 ASN A 117 15.585 0.731 -10.047 1.00 0.00 H new ATOM 0 HD22 ASN A 117 14.034 0.177 -10.687 1.00 0.00 H new ATOM 1456 N ILE A 118 11.705 -2.276 -5.430 1.00 0.00 N ATOM 1457 CA ILE A 118 10.791 -1.840 -4.385 1.00 0.00 C ATOM 1458 C ILE A 118 11.442 -0.985 -3.334 1.00 0.00 C ATOM 1459 O ILE A 118 10.878 0.045 -2.977 1.00 0.00 O ATOM 1460 CB ILE A 118 10.023 -3.008 -3.755 1.00 0.00 C ATOM 1461 CG1 ILE A 118 8.756 -2.392 -3.113 1.00 0.00 C ATOM 1462 CG2 ILE A 118 10.806 -3.890 -2.765 1.00 0.00 C ATOM 1463 CD1 ILE A 118 7.604 -3.367 -2.916 1.00 0.00 C ATOM 0 H ILE A 118 11.816 -3.288 -5.486 1.00 0.00 H new ATOM 0 HA ILE A 118 10.066 -1.203 -4.892 1.00 0.00 H new ATOM 0 HB ILE A 118 9.790 -3.724 -4.544 1.00 0.00 H new ATOM 0 HG12 ILE A 118 9.025 -1.968 -2.145 1.00 0.00 H new ATOM 0 HG13 ILE A 118 8.413 -1.567 -3.738 1.00 0.00 H new ATOM 0 HG21 ILE A 118 10.156 -4.680 -2.388 1.00 0.00 H new ATOM 0 HG22 ILE A 118 11.662 -4.336 -3.273 1.00 0.00 H new ATOM 0 HG23 ILE A 118 11.156 -3.280 -1.932 1.00 0.00 H new ATOM 0 HD11 ILE A 118 6.761 -2.847 -2.461 1.00 0.00 H new ATOM 0 HD12 ILE A 118 7.302 -3.773 -3.881 1.00 0.00 H new ATOM 0 HD13 ILE A 118 7.923 -4.180 -2.264 1.00 0.00 H new ATOM 1475 N SER A 119 12.615 -1.410 -2.876 1.00 0.00 N ATOM 1476 CA SER A 119 13.376 -0.635 -1.896 1.00 0.00 C ATOM 1477 C SER A 119 13.453 0.801 -2.370 1.00 0.00 C ATOM 1478 O SER A 119 13.046 1.703 -1.652 1.00 0.00 O ATOM 1479 CB SER A 119 14.784 -1.183 -1.635 1.00 0.00 C ATOM 1480 OG SER A 119 15.465 -0.397 -0.660 1.00 0.00 O ATOM 0 H SER A 119 13.059 -2.282 -3.164 1.00 0.00 H new ATOM 0 HA SER A 119 12.850 -0.707 -0.944 1.00 0.00 H new ATOM 0 HB2 SER A 119 14.719 -2.216 -1.294 1.00 0.00 H new ATOM 0 HB3 SER A 119 15.354 -1.190 -2.564 1.00 0.00 H new ATOM 0 HG SER A 119 15.501 0.536 -0.959 1.00 0.00 H new ATOM 1486 N ALA A 120 13.907 0.995 -3.601 1.00 0.00 N ATOM 1487 CA ALA A 120 14.200 2.314 -4.124 1.00 0.00 C ATOM 1488 C ALA A 120 12.943 3.180 -4.231 1.00 0.00 C ATOM 1489 O ALA A 120 13.061 4.400 -4.129 1.00 0.00 O ATOM 1490 CB ALA A 120 14.911 2.184 -5.472 1.00 0.00 C ATOM 0 H ALA A 120 14.081 0.238 -4.262 1.00 0.00 H new ATOM 0 HA ALA A 120 14.863 2.823 -3.424 1.00 0.00 H new ATOM 0 HB1 ALA A 120 15.131 3.177 -5.865 1.00 0.00 H new ATOM 0 HB2 ALA A 120 15.841 1.631 -5.341 1.00 0.00 H new ATOM 0 HB3 ALA A 120 14.268 1.651 -6.173 1.00 0.00 H new ATOM 1496 N TYR A 121 11.757 2.577 -4.395 1.00 0.00 N ATOM 1497 CA TYR A 121 10.490 3.271 -4.289 1.00 0.00 C ATOM 1498 C TYR A 121 10.176 3.589 -2.831 1.00 0.00 C ATOM 1499 O TYR A 121 9.891 4.738 -2.507 1.00 0.00 O ATOM 1500 CB TYR A 121 9.364 2.426 -4.898 1.00 0.00 C ATOM 1501 CG TYR A 121 9.429 2.237 -6.395 1.00 0.00 C ATOM 1502 CD1 TYR A 121 9.547 3.362 -7.229 1.00 0.00 C ATOM 1503 CD2 TYR A 121 9.366 0.948 -6.960 1.00 0.00 C ATOM 1504 CE1 TYR A 121 9.629 3.199 -8.617 1.00 0.00 C ATOM 1505 CE2 TYR A 121 9.446 0.779 -8.352 1.00 0.00 C ATOM 1506 CZ TYR A 121 9.559 1.913 -9.185 1.00 0.00 C ATOM 1507 OH TYR A 121 9.652 1.773 -10.527 1.00 0.00 O ATOM 0 H TYR A 121 11.662 1.584 -4.607 1.00 0.00 H new ATOM 0 HA TYR A 121 10.564 4.207 -4.843 1.00 0.00 H new ATOM 0 HB2 TYR A 121 9.374 1.444 -4.425 1.00 0.00 H new ATOM 0 HB3 TYR A 121 8.410 2.890 -4.649 1.00 0.00 H new ATOM 0 HD1 TYR A 121 9.574 4.352 -6.799 1.00 0.00 H new ATOM 0 HD2 TYR A 121 9.256 0.085 -6.320 1.00 0.00 H new ATOM 0 HE1 TYR A 121 9.746 4.063 -9.254 1.00 0.00 H new ATOM 0 HE2 TYR A 121 9.421 -0.211 -8.782 1.00 0.00 H new ATOM 0 HH TYR A 121 10.209 2.491 -10.893 1.00 0.00 H new ATOM 1517 N ALA A 122 10.218 2.592 -1.947 1.00 0.00 N ATOM 1518 CA ALA A 122 9.914 2.740 -0.532 1.00 0.00 C ATOM 1519 C ALA A 122 10.843 3.760 0.134 1.00 0.00 C ATOM 1520 O ALA A 122 10.420 4.458 1.047 1.00 0.00 O ATOM 1521 CB ALA A 122 9.992 1.372 0.150 1.00 0.00 C ATOM 0 H ALA A 122 10.471 1.638 -2.206 1.00 0.00 H new ATOM 0 HA ALA A 122 8.900 3.126 -0.424 1.00 0.00 H new ATOM 0 HB1 ALA A 122 9.765 1.481 1.210 1.00 0.00 H new ATOM 0 HB2 ALA A 122 9.271 0.695 -0.308 1.00 0.00 H new ATOM 0 HB3 ALA A 122 10.996 0.964 0.034 1.00 0.00 H new ATOM 1527 N ASP A 123 12.071 3.909 -0.359 1.00 0.00 N ATOM 1528 CA ASP A 123 13.040 4.902 0.077 1.00 0.00 C ATOM 1529 C ASP A 123 12.532 6.319 -0.232 1.00 0.00 C ATOM 1530 O ASP A 123 12.846 7.258 0.494 1.00 0.00 O ATOM 1531 CB ASP A 123 14.403 4.636 -0.597 1.00 0.00 C ATOM 1532 CG ASP A 123 15.163 3.441 -0.001 1.00 0.00 C ATOM 1533 OD1 ASP A 123 15.380 3.446 1.231 1.00 0.00 O ATOM 1534 OD2 ASP A 123 15.583 2.525 -0.749 1.00 0.00 O ATOM 0 H ASP A 123 12.429 3.313 -1.105 1.00 0.00 H new ATOM 0 HA ASP A 123 13.171 4.825 1.156 1.00 0.00 H new ATOM 0 HB2 ASP A 123 14.244 4.460 -1.661 1.00 0.00 H new ATOM 0 HB3 ASP A 123 15.022 5.529 -0.510 1.00 0.00 H new ATOM 1539 N ILE A 124 11.734 6.517 -1.289 1.00 0.00 N ATOM 1540 CA ILE A 124 11.058 7.785 -1.591 1.00 0.00 C ATOM 1541 C ILE A 124 9.865 7.947 -0.642 1.00 0.00 C ATOM 1542 O ILE A 124 9.643 9.039 -0.116 1.00 0.00 O ATOM 1543 CB ILE A 124 10.640 7.869 -3.085 1.00 0.00 C ATOM 1544 CG1 ILE A 124 11.828 7.613 -4.046 1.00 0.00 C ATOM 1545 CG2 ILE A 124 10.043 9.250 -3.425 1.00 0.00 C ATOM 1546 CD1 ILE A 124 11.385 7.220 -5.461 1.00 0.00 C ATOM 0 H ILE A 124 11.536 5.785 -1.972 1.00 0.00 H new ATOM 0 HA ILE A 124 11.748 8.613 -1.430 1.00 0.00 H new ATOM 0 HB ILE A 124 9.891 7.089 -3.224 1.00 0.00 H new ATOM 0 HG12 ILE A 124 12.443 8.511 -4.101 1.00 0.00 H new ATOM 0 HG13 ILE A 124 12.455 6.822 -3.635 1.00 0.00 H new ATOM 0 HG21 ILE A 124 9.761 9.275 -4.478 1.00 0.00 H new ATOM 0 HG22 ILE A 124 9.161 9.427 -2.809 1.00 0.00 H new ATOM 0 HG23 ILE A 124 10.784 10.025 -3.229 1.00 0.00 H new ATOM 0 HD11 ILE A 124 12.264 7.055 -6.085 1.00 0.00 H new ATOM 0 HD12 ILE A 124 10.794 6.305 -5.416 1.00 0.00 H new ATOM 0 HD13 ILE A 124 10.782 8.021 -5.889 1.00 0.00 H new ATOM 1558 N VAL A 125 9.083 6.887 -0.419 1.00 0.00 N ATOM 1559 CA VAL A 125 7.936 6.893 0.492 1.00 0.00 C ATOM 1560 C VAL A 125 8.379 7.334 1.890 1.00 0.00 C ATOM 1561 O VAL A 125 7.841 8.303 2.428 1.00 0.00 O ATOM 1562 CB VAL A 125 7.209 5.532 0.464 1.00 0.00 C ATOM 1563 CG1 VAL A 125 5.954 5.551 1.346 1.00 0.00 C ATOM 1564 CG2 VAL A 125 6.814 5.123 -0.963 1.00 0.00 C ATOM 0 H VAL A 125 9.232 5.986 -0.874 1.00 0.00 H new ATOM 0 HA VAL A 125 7.200 7.625 0.158 1.00 0.00 H new ATOM 0 HB VAL A 125 7.914 4.799 0.856 1.00 0.00 H new ATOM 0 HG11 VAL A 125 5.465 4.578 1.304 1.00 0.00 H new ATOM 0 HG12 VAL A 125 6.236 5.772 2.376 1.00 0.00 H new ATOM 0 HG13 VAL A 125 5.268 6.317 0.986 1.00 0.00 H new ATOM 0 HG21 VAL A 125 6.305 4.159 -0.938 1.00 0.00 H new ATOM 0 HG22 VAL A 125 6.147 5.875 -1.386 1.00 0.00 H new ATOM 0 HG23 VAL A 125 7.709 5.044 -1.580 1.00 0.00 H new ATOM 1574 N ARG A 126 9.397 6.673 2.444 1.00 0.00 N ATOM 1575 CA ARG A 126 9.948 7.009 3.744 1.00 0.00 C ATOM 1576 C ARG A 126 10.421 8.453 3.764 1.00 0.00 C ATOM 1577 O ARG A 126 10.149 9.143 4.738 1.00 0.00 O ATOM 1578 CB ARG A 126 11.097 6.047 4.082 1.00 0.00 C ATOM 1579 CG ARG A 126 11.517 6.105 5.558 1.00 0.00 C ATOM 1580 CD ARG A 126 10.414 5.597 6.502 1.00 0.00 C ATOM 1581 NE ARG A 126 10.987 4.858 7.637 1.00 0.00 N ATOM 1582 CZ ARG A 126 10.360 4.511 8.765 1.00 0.00 C ATOM 1583 NH1 ARG A 126 9.064 4.739 8.937 1.00 0.00 N ATOM 1584 NH2 ARG A 126 11.066 3.934 9.727 1.00 0.00 N ATOM 0 H ARG A 126 9.861 5.884 1.994 1.00 0.00 H new ATOM 0 HA ARG A 126 9.171 6.903 4.501 1.00 0.00 H new ATOM 0 HB2 ARG A 126 10.795 5.029 3.836 1.00 0.00 H new ATOM 0 HB3 ARG A 126 11.957 6.284 3.456 1.00 0.00 H new ATOM 0 HG2 ARG A 126 12.417 5.507 5.701 1.00 0.00 H new ATOM 0 HG3 ARG A 126 11.772 7.132 5.820 1.00 0.00 H new ATOM 0 HD2 ARG A 126 9.830 6.440 6.871 1.00 0.00 H new ATOM 0 HD3 ARG A 126 9.729 4.951 5.952 1.00 0.00 H new ATOM 0 HE ARG A 126 11.965 4.581 7.555 1.00 0.00 H new ATOM 0 HH11 ARG A 126 8.523 5.189 8.199 1.00 0.00 H new ATOM 0 HH12 ARG A 126 8.609 4.464 9.808 1.00 0.00 H new ATOM 0 HH21 ARG A 126 12.063 3.765 9.596 1.00 0.00 H new ATOM 0 HH22 ARG A 126 10.612 3.659 10.598 1.00 0.00 H new ATOM 1598 N GLU A 127 11.106 8.917 2.716 1.00 0.00 N ATOM 1599 CA GLU A 127 11.735 10.227 2.715 1.00 0.00 C ATOM 1600 C GLU A 127 10.694 11.315 2.891 1.00 0.00 C ATOM 1601 O GLU A 127 10.789 12.101 3.827 1.00 0.00 O ATOM 1602 CB GLU A 127 12.512 10.443 1.416 1.00 0.00 C ATOM 1603 CG GLU A 127 13.424 11.673 1.493 1.00 0.00 C ATOM 1604 CD GLU A 127 14.276 11.864 0.240 1.00 0.00 C ATOM 1605 OE1 GLU A 127 13.982 11.279 -0.826 1.00 0.00 O ATOM 1606 OE2 GLU A 127 15.235 12.668 0.274 1.00 0.00 O ATOM 0 H GLU A 127 11.236 8.393 1.851 1.00 0.00 H new ATOM 0 HA GLU A 127 12.433 10.276 3.551 1.00 0.00 H new ATOM 0 HB2 GLU A 127 13.112 9.559 1.201 1.00 0.00 H new ATOM 0 HB3 GLU A 127 11.811 10.562 0.589 1.00 0.00 H new ATOM 0 HG2 GLU A 127 12.813 12.562 1.649 1.00 0.00 H new ATOM 0 HG3 GLU A 127 14.078 11.580 2.360 1.00 0.00 H new ATOM 1613 N ARG A 128 9.690 11.370 2.011 1.00 0.00 N ATOM 1614 CA ARG A 128 8.689 12.445 2.109 1.00 0.00 C ATOM 1615 C ARG A 128 8.023 12.452 3.484 1.00 0.00 C ATOM 1616 O ARG A 128 7.720 13.537 3.983 1.00 0.00 O ATOM 1617 CB ARG A 128 7.605 12.373 1.024 1.00 0.00 C ATOM 1618 CG ARG A 128 8.081 12.629 -0.413 1.00 0.00 C ATOM 1619 CD ARG A 128 8.623 14.038 -0.695 1.00 0.00 C ATOM 1620 NE ARG A 128 10.078 14.158 -0.517 1.00 0.00 N ATOM 1621 CZ ARG A 128 11.021 13.624 -1.304 1.00 0.00 C ATOM 1622 NH1 ARG A 128 10.707 12.818 -2.312 1.00 0.00 N ATOM 1623 NH2 ARG A 128 12.300 13.906 -1.099 1.00 0.00 N ATOM 0 H ARG A 128 9.547 10.710 1.247 1.00 0.00 H new ATOM 0 HA ARG A 128 9.243 13.371 1.957 1.00 0.00 H new ATOM 0 HB2 ARG A 128 7.143 11.387 1.063 1.00 0.00 H new ATOM 0 HB3 ARG A 128 6.828 13.099 1.264 1.00 0.00 H new ATOM 0 HG2 ARG A 128 8.860 11.906 -0.652 1.00 0.00 H new ATOM 0 HG3 ARG A 128 7.249 12.437 -1.091 1.00 0.00 H new ATOM 0 HD2 ARG A 128 8.366 14.319 -1.716 1.00 0.00 H new ATOM 0 HD3 ARG A 128 8.125 14.748 -0.035 1.00 0.00 H new ATOM 0 HE ARG A 128 10.400 14.701 0.284 1.00 0.00 H new ATOM 0 HH11 ARG A 128 9.730 12.594 -2.500 1.00 0.00 H new ATOM 0 HH12 ARG A 128 11.443 12.423 -2.898 1.00 0.00 H new ATOM 0 HH21 ARG A 128 12.569 14.532 -0.340 1.00 0.00 H new ATOM 0 HH22 ARG A 128 13.015 13.497 -1.701 1.00 0.00 H new ATOM 1637 N ALA A 129 7.814 11.286 4.097 1.00 0.00 N ATOM 1638 CA ALA A 129 7.216 11.173 5.416 1.00 0.00 C ATOM 1639 C ALA A 129 8.180 11.607 6.532 1.00 0.00 C ATOM 1640 O ALA A 129 7.768 12.342 7.426 1.00 0.00 O ATOM 1641 CB ALA A 129 6.735 9.739 5.603 1.00 0.00 C ATOM 0 H ALA A 129 8.060 10.387 3.682 1.00 0.00 H new ATOM 0 HA ALA A 129 6.368 11.854 5.486 1.00 0.00 H new ATOM 0 HB1 ALA A 129 6.282 9.633 6.589 1.00 0.00 H new ATOM 0 HB2 ALA A 129 5.997 9.500 4.837 1.00 0.00 H new ATOM 0 HB3 ALA A 129 7.581 9.057 5.517 1.00 0.00 H new ATOM 1647 N VAL A 130 9.456 11.217 6.490 1.00 0.00 N ATOM 1648 CA VAL A 130 10.469 11.657 7.454 1.00 0.00 C ATOM 1649 C VAL A 130 10.657 13.171 7.339 1.00 0.00 C ATOM 1650 O VAL A 130 10.683 13.878 8.345 1.00 0.00 O ATOM 1651 CB VAL A 130 11.781 10.868 7.245 1.00 0.00 C ATOM 1652 CG1 VAL A 130 12.960 11.460 8.031 1.00 0.00 C ATOM 1653 CG2 VAL A 130 11.604 9.407 7.688 1.00 0.00 C ATOM 0 H VAL A 130 9.819 10.581 5.780 1.00 0.00 H new ATOM 0 HA VAL A 130 10.140 11.447 8.472 1.00 0.00 H new ATOM 0 HB VAL A 130 12.005 10.930 6.180 1.00 0.00 H new ATOM 0 HG11 VAL A 130 13.855 10.866 7.847 1.00 0.00 H new ATOM 0 HG12 VAL A 130 13.133 12.487 7.709 1.00 0.00 H new ATOM 0 HG13 VAL A 130 12.730 11.448 9.096 1.00 0.00 H new ATOM 0 HG21 VAL A 130 12.537 8.865 7.534 1.00 0.00 H new ATOM 0 HG22 VAL A 130 11.336 9.377 8.744 1.00 0.00 H new ATOM 0 HG23 VAL A 130 10.813 8.942 7.100 1.00 0.00 H new ATOM 1663 N VAL A 131 10.705 13.705 6.121 1.00 0.00 N ATOM 1664 CA VAL A 131 10.734 15.140 5.893 1.00 0.00 C ATOM 1665 C VAL A 131 9.427 15.761 6.397 1.00 0.00 C ATOM 1666 O VAL A 131 9.431 16.925 6.771 1.00 0.00 O ATOM 1667 CB VAL A 131 10.971 15.435 4.398 1.00 0.00 C ATOM 1668 CG1 VAL A 131 10.956 16.944 4.101 1.00 0.00 C ATOM 1669 CG2 VAL A 131 12.325 14.893 3.903 1.00 0.00 C ATOM 0 H VAL A 131 10.725 13.150 5.265 1.00 0.00 H new ATOM 0 HA VAL A 131 11.559 15.588 6.447 1.00 0.00 H new ATOM 0 HB VAL A 131 10.154 14.935 3.878 1.00 0.00 H new ATOM 0 HG11 VAL A 131 11.127 17.107 3.037 1.00 0.00 H new ATOM 0 HG12 VAL A 131 9.988 17.360 4.381 1.00 0.00 H new ATOM 0 HG13 VAL A 131 11.742 17.435 4.674 1.00 0.00 H new ATOM 0 HG21 VAL A 131 12.445 15.126 2.845 1.00 0.00 H new ATOM 0 HG22 VAL A 131 13.132 15.357 4.470 1.00 0.00 H new ATOM 0 HG23 VAL A 131 12.357 13.813 4.043 1.00 0.00 H new ATOM 1679 N ARG A 132 8.297 15.045 6.441 1.00 0.00 N ATOM 1680 CA ARG A 132 7.057 15.627 6.950 1.00 0.00 C ATOM 1681 C ARG A 132 7.169 16.010 8.420 1.00 0.00 C ATOM 1682 O ARG A 132 6.503 16.962 8.822 1.00 0.00 O ATOM 1683 CB ARG A 132 5.830 14.762 6.622 1.00 0.00 C ATOM 1684 CG ARG A 132 4.513 15.532 6.830 1.00 0.00 C ATOM 1685 CD ARG A 132 3.610 14.881 7.878 1.00 0.00 C ATOM 1686 NE ARG A 132 4.236 14.828 9.209 1.00 0.00 N ATOM 1687 CZ ARG A 132 4.463 13.742 9.960 1.00 0.00 C ATOM 1688 NH1 ARG A 132 4.100 12.525 9.572 1.00 0.00 N ATOM 1689 NH2 ARG A 132 5.048 13.907 11.133 1.00 0.00 N ATOM 0 H ARG A 132 8.219 14.075 6.134 1.00 0.00 H new ATOM 0 HA ARG A 132 6.894 16.564 6.418 1.00 0.00 H new ATOM 0 HB2 ARG A 132 5.892 14.421 5.589 1.00 0.00 H new ATOM 0 HB3 ARG A 132 5.834 13.872 7.252 1.00 0.00 H new ATOM 0 HG2 ARG A 132 4.738 16.554 7.135 1.00 0.00 H new ATOM 0 HG3 ARG A 132 3.978 15.592 5.882 1.00 0.00 H new ATOM 0 HD2 ARG A 132 2.675 15.437 7.942 1.00 0.00 H new ATOM 0 HD3 ARG A 132 3.359 13.870 7.558 1.00 0.00 H new ATOM 0 HE ARG A 132 4.531 15.721 9.605 1.00 0.00 H new ATOM 0 HH11 ARG A 132 3.632 12.394 8.675 1.00 0.00 H new ATOM 0 HH12 ARG A 132 4.289 11.721 10.171 1.00 0.00 H new ATOM 0 HH21 ARG A 132 5.313 14.842 11.444 1.00 0.00 H new ATOM 0 HH22 ARG A 132 5.234 13.100 11.728 1.00 0.00 H new ATOM 1703 N GLU A 133 7.968 15.318 9.222 1.00 0.00 N ATOM 1704 CA GLU A 133 8.303 15.791 10.561 1.00 0.00 C ATOM 1705 C GLU A 133 9.461 16.785 10.432 1.00 0.00 C ATOM 1706 O GLU A 133 9.357 17.945 10.840 1.00 0.00 O ATOM 1707 CB GLU A 133 8.519 14.628 11.550 1.00 0.00 C ATOM 1708 CG GLU A 133 9.566 13.544 11.243 1.00 0.00 C ATOM 1709 CD GLU A 133 9.641 12.446 12.322 1.00 0.00 C ATOM 1710 OE1 GLU A 133 8.681 12.260 13.109 1.00 0.00 O ATOM 1711 OE2 GLU A 133 10.664 11.718 12.379 1.00 0.00 O ATOM 0 H GLU A 133 8.397 14.427 8.970 1.00 0.00 H new ATOM 0 HA GLU A 133 7.469 16.328 11.012 1.00 0.00 H new ATOM 0 HB2 GLU A 133 8.778 15.066 12.514 1.00 0.00 H new ATOM 0 HB3 GLU A 133 7.560 14.126 11.675 1.00 0.00 H new ATOM 0 HG2 GLU A 133 9.332 13.085 10.283 1.00 0.00 H new ATOM 0 HG3 GLU A 133 10.545 14.012 11.142 1.00 0.00 H new ATOM 1718 N MET A 134 10.538 16.367 9.771 1.00 0.00 N ATOM 1719 CA MET A 134 11.785 17.098 9.637 1.00 0.00 C ATOM 1720 C MET A 134 11.753 18.129 8.491 1.00 0.00 C ATOM 1721 O MET A 134 12.699 18.194 7.699 1.00 0.00 O ATOM 1722 CB MET A 134 12.925 16.072 9.500 1.00 0.00 C ATOM 1723 CG MET A 134 14.193 16.652 10.121 1.00 0.00 C ATOM 1724 SD MET A 134 15.707 15.734 9.755 1.00 0.00 S ATOM 1725 CE MET A 134 16.771 16.484 11.012 1.00 0.00 C ATOM 0 H MET A 134 10.561 15.466 9.293 1.00 0.00 H new ATOM 0 HA MET A 134 11.953 17.702 10.529 1.00 0.00 H new ATOM 0 HB2 MET A 134 12.655 15.140 9.997 1.00 0.00 H new ATOM 0 HB3 MET A 134 13.094 15.836 8.450 1.00 0.00 H new ATOM 0 HG2 MET A 134 14.314 17.678 9.773 1.00 0.00 H new ATOM 0 HG3 MET A 134 14.064 16.695 11.202 1.00 0.00 H new ATOM 0 HE1 MET A 134 17.768 16.047 10.953 1.00 0.00 H new ATOM 0 HE2 MET A 134 16.835 17.559 10.840 1.00 0.00 H new ATOM 0 HE3 MET A 134 16.352 16.299 12.001 1.00 0.00 H new ATOM 1735 N ILE A 135 10.681 18.925 8.382 1.00 0.00 N ATOM 1736 CA ILE A 135 10.419 19.842 7.268 1.00 0.00 C ATOM 1737 C ILE A 135 11.617 20.771 7.072 1.00 0.00 C ATOM 1738 O ILE A 135 11.951 21.551 7.973 1.00 0.00 O ATOM 1739 CB ILE A 135 9.093 20.616 7.489 1.00 0.00 C ATOM 1740 CG1 ILE A 135 7.842 19.723 7.356 1.00 0.00 C ATOM 1741 CG2 ILE A 135 8.945 21.856 6.587 1.00 0.00 C ATOM 1742 CD1 ILE A 135 7.467 19.319 5.921 1.00 0.00 C ATOM 0 H ILE A 135 9.949 18.948 9.091 1.00 0.00 H new ATOM 0 HA ILE A 135 10.291 19.270 6.349 1.00 0.00 H new ATOM 0 HB ILE A 135 9.159 20.962 8.521 1.00 0.00 H new ATOM 0 HG12 ILE A 135 8.000 18.817 7.940 1.00 0.00 H new ATOM 0 HG13 ILE A 135 6.995 20.245 7.801 1.00 0.00 H new ATOM 0 HG21 ILE A 135 7.995 22.347 6.797 1.00 0.00 H new ATOM 0 HG22 ILE A 135 9.763 22.549 6.784 1.00 0.00 H new ATOM 0 HG23 ILE A 135 8.973 21.550 5.541 1.00 0.00 H new ATOM 0 HD11 ILE A 135 6.575 18.693 5.941 1.00 0.00 H new ATOM 0 HD12 ILE A 135 7.270 20.214 5.331 1.00 0.00 H new ATOM 0 HD13 ILE A 135 8.290 18.763 5.473 1.00 0.00 H new ATOM 1754 N SER A 136 12.258 20.662 5.908 1.00 0.00 N ATOM 1755 CA SER A 136 13.268 21.588 5.429 1.00 0.00 C ATOM 1756 C SER A 136 12.634 22.957 5.252 1.00 0.00 C ATOM 1757 O SER A 136 13.227 23.962 5.681 1.00 0.00 O ATOM 1758 CB SER A 136 13.910 21.069 4.130 1.00 0.00 C ATOM 1759 OG SER A 136 13.092 20.138 3.421 1.00 0.00 O ATOM 1760 OXT SER A 136 11.541 23.052 4.647 1.00 0.00 O ATOM 0 H SER A 136 12.078 19.899 5.256 1.00 0.00 H new ATOM 0 HA SER A 136 14.073 21.674 6.159 1.00 0.00 H new ATOM 0 HB2 SER A 136 14.130 21.916 3.480 1.00 0.00 H new ATOM 0 HB3 SER A 136 14.862 20.595 4.369 1.00 0.00 H new ATOM 0 HG SER A 136 13.555 19.849 2.607 1.00 0.00 H new TER 1766 SER A 136