USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 773 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 94 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 96 THR OG1 : rot 180:sc= 0.0423 USER MOD Set 2.1: A 42 GLN : amide:sc= -0.0497 K(o=-0.23,f=-0.98) USER MOD Set 2.2: A 70 ASN : amide:sc= -0.18 K(o=-0.23,f=-0.98) USER MOD Set 2.3: A 71 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 64 SER OG : rot 180:sc= 0.055 USER MOD Set 3.2: A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= -0.0962 X(o=-0.096,f=-0.075) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0848 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -140:sc= 0.254 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0812 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0375 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 78:sc= 0.853 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.0524 X(o=-0.052,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 165:sc= 0.137 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= -0.107 USER MOD Single : A 79 GLN : amide:sc=-0.000839 K(o=-0.00084,f=-0.98) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= -0.676 USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.0413 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.124) USER MOD ----------------------------------------------------------------- ATOM 27 N HIS A 14 0.090 -0.385 -6.761 1.00 12.10 N ATOM 28 CA HIS A 14 0.926 -0.946 -7.816 1.00 60.11 C ATOM 29 C HIS A 14 0.141 -1.081 -9.117 1.00 60.44 C ATOM 30 O HIS A 14 -0.936 -1.676 -9.144 1.00 22.44 O ATOM 31 CB HIS A 14 1.472 -2.310 -7.392 1.00 40.11 C ATOM 32 CG HIS A 14 0.405 -3.297 -7.031 1.00 54.53 C ATOM 33 ND1 HIS A 14 0.007 -4.316 -7.870 1.00 63.14 N ATOM 34 CD2 HIS A 14 -0.348 -3.417 -5.913 1.00 15.31 C ATOM 35 CE1 HIS A 14 -0.945 -5.020 -7.285 1.00 11.44 C ATOM 36 NE2 HIS A 14 -1.179 -4.495 -6.095 1.00 53.34 N ATOM 0 HA HIS A 14 1.761 -0.266 -7.985 1.00 60.11 H new ATOM 0 HB2 HIS A 14 2.074 -2.719 -8.203 1.00 40.11 H new ATOM 0 HB3 HIS A 14 2.136 -2.177 -6.538 1.00 40.11 H new ATOM 0 HD2 HIS A 14 -0.304 -2.783 -5.040 1.00 15.31 H new ATOM 0 HE1 HIS A 14 -1.447 -5.878 -7.707 1.00 11.44 H new ATOM 0 HE2 HIS A 14 -1.865 -4.835 -5.421 1.00 53.34 H new ATOM 44 N GLN A 15 0.688 -0.525 -10.193 1.00 52.33 N ATOM 45 CA GLN A 15 0.037 -0.582 -11.497 1.00 22.51 C ATOM 46 C GLN A 15 1.021 -1.020 -12.577 1.00 74.22 C ATOM 47 O GLN A 15 2.134 -0.501 -12.666 1.00 71.14 O ATOM 48 CB GLN A 15 -0.558 0.781 -11.854 1.00 60.43 C ATOM 49 CG GLN A 15 0.484 1.876 -12.015 1.00 13.01 C ATOM 50 CD GLN A 15 -0.097 3.265 -11.832 1.00 64.53 C ATOM 51 OE1 GLN A 15 0.416 4.066 -11.051 1.00 42.40 O ATOM 52 NE2 GLN A 15 -1.172 3.557 -12.554 1.00 72.41 N ATOM 0 H GLN A 15 1.580 -0.030 -10.188 1.00 52.33 H new ATOM 0 HA GLN A 15 -0.766 -1.317 -11.443 1.00 22.51 H new ATOM 0 HB2 GLN A 15 -1.123 0.690 -12.781 1.00 60.43 H new ATOM 0 HB3 GLN A 15 -1.264 1.074 -11.078 1.00 60.43 H new ATOM 0 HG2 GLN A 15 1.283 1.722 -11.290 1.00 13.01 H new ATOM 0 HG3 GLN A 15 0.934 1.802 -13.005 1.00 13.01 H new ATOM 0 HE21 GLN A 15 -1.564 2.862 -13.189 1.00 72.41 H new ATOM 0 HE22 GLN A 15 -1.606 4.477 -12.474 1.00 72.41 H new ATOM 61 N THR A 16 0.603 -1.979 -13.398 1.00 31.55 N ATOM 62 CA THR A 16 1.447 -2.488 -14.471 1.00 61.40 C ATOM 63 C THR A 16 0.607 -2.983 -15.643 1.00 64.22 C ATOM 64 O THR A 16 -0.375 -3.701 -15.457 1.00 30.32 O ATOM 65 CB THR A 16 2.349 -3.636 -13.980 1.00 64.20 C ATOM 66 OG1 THR A 16 2.465 -3.593 -12.553 1.00 54.34 O ATOM 67 CG2 THR A 16 3.732 -3.545 -14.609 1.00 13.55 C ATOM 0 H THR A 16 -0.316 -2.419 -13.340 1.00 31.55 H new ATOM 0 HA THR A 16 2.073 -1.659 -14.800 1.00 61.40 H new ATOM 0 HB THR A 16 1.892 -4.580 -14.279 1.00 64.20 H new ATOM 0 HG1 THR A 16 3.039 -4.327 -12.249 1.00 54.34 H new ATOM 0 HG21 THR A 16 4.351 -4.366 -14.247 1.00 13.55 H new ATOM 0 HG22 THR A 16 3.643 -3.608 -15.694 1.00 13.55 H new ATOM 0 HG23 THR A 16 4.194 -2.596 -14.337 1.00 13.55 H new ATOM 75 N VAL A 17 1.001 -2.595 -16.852 1.00 74.23 N ATOM 76 CA VAL A 17 0.285 -3.001 -18.056 1.00 33.32 C ATOM 77 C VAL A 17 1.171 -3.847 -18.963 1.00 40.35 C ATOM 78 O VAL A 17 2.386 -3.653 -19.018 1.00 53.23 O ATOM 79 CB VAL A 17 -0.223 -1.780 -18.845 1.00 74.34 C ATOM 80 CG1 VAL A 17 -1.118 -2.221 -19.993 1.00 74.45 C ATOM 81 CG2 VAL A 17 -0.959 -0.819 -17.924 1.00 32.10 C ATOM 0 H VAL A 17 1.812 -2.000 -17.024 1.00 74.23 H new ATOM 0 HA VAL A 17 -0.569 -3.595 -17.732 1.00 33.32 H new ATOM 0 HB VAL A 17 0.637 -1.258 -19.265 1.00 74.34 H new ATOM 0 HG11 VAL A 17 -1.468 -1.345 -20.539 1.00 74.45 H new ATOM 0 HG12 VAL A 17 -0.555 -2.867 -20.666 1.00 74.45 H new ATOM 0 HG13 VAL A 17 -1.974 -2.767 -19.598 1.00 74.45 H new ATOM 0 HG21 VAL A 17 -1.311 0.038 -18.498 1.00 32.10 H new ATOM 0 HG22 VAL A 17 -1.811 -1.328 -17.473 1.00 32.10 H new ATOM 0 HG23 VAL A 17 -0.283 -0.477 -17.140 1.00 32.10 H new ATOM 91 N TYR A 18 0.556 -4.785 -19.675 1.00 13.23 N ATOM 92 CA TYR A 18 1.289 -5.662 -20.579 1.00 70.15 C ATOM 93 C TYR A 18 0.942 -5.358 -22.034 1.00 1.34 C ATOM 94 O TYR A 18 -0.230 -5.267 -22.399 1.00 11.43 O ATOM 95 CB TYR A 18 0.980 -7.127 -20.266 1.00 15.24 C ATOM 96 CG TYR A 18 1.045 -7.457 -18.792 1.00 21.15 C ATOM 97 CD1 TYR A 18 2.228 -7.896 -18.210 1.00 62.31 C ATOM 98 CD2 TYR A 18 -0.076 -7.331 -17.980 1.00 61.05 C ATOM 99 CE1 TYR A 18 2.293 -8.200 -16.864 1.00 11.11 C ATOM 100 CE2 TYR A 18 -0.020 -7.631 -16.633 1.00 51.12 C ATOM 101 CZ TYR A 18 1.166 -8.065 -16.080 1.00 23.24 C ATOM 102 OH TYR A 18 1.225 -8.366 -14.738 1.00 65.32 O ATOM 0 H TYR A 18 -0.449 -4.957 -19.643 1.00 13.23 H new ATOM 0 HA TYR A 18 2.354 -5.483 -20.432 1.00 70.15 H new ATOM 0 HB2 TYR A 18 -0.015 -7.368 -20.640 1.00 15.24 H new ATOM 0 HB3 TYR A 18 1.685 -7.761 -20.803 1.00 15.24 H new ATOM 0 HD1 TYR A 18 3.112 -8.001 -18.821 1.00 62.31 H new ATOM 0 HD2 TYR A 18 -1.007 -6.993 -18.410 1.00 61.05 H new ATOM 0 HE1 TYR A 18 3.220 -8.541 -16.428 1.00 11.11 H new ATOM 0 HE2 TYR A 18 -0.900 -7.526 -16.016 1.00 51.12 H new ATOM 0 HH TYR A 18 0.346 -8.216 -14.330 1.00 65.32 H new ATOM 112 N VAL A 19 1.971 -5.202 -22.860 1.00 42.25 N ATOM 113 CA VAL A 19 1.777 -4.909 -24.276 1.00 24.43 C ATOM 114 C VAL A 19 2.544 -5.895 -25.150 1.00 74.34 C ATOM 115 O VAL A 19 3.612 -6.377 -24.774 1.00 2.15 O ATOM 116 CB VAL A 19 2.228 -3.477 -24.620 1.00 33.23 C ATOM 117 CG1 VAL A 19 1.847 -3.127 -26.050 1.00 43.22 C ATOM 118 CG2 VAL A 19 1.627 -2.480 -23.640 1.00 71.51 C ATOM 0 H VAL A 19 2.947 -5.273 -22.574 1.00 42.25 H new ATOM 0 HA VAL A 19 0.710 -5.003 -24.476 1.00 24.43 H new ATOM 0 HB VAL A 19 3.314 -3.426 -24.536 1.00 33.23 H new ATOM 0 HG11 VAL A 19 2.173 -2.112 -26.275 1.00 43.22 H new ATOM 0 HG12 VAL A 19 2.329 -3.824 -26.736 1.00 43.22 H new ATOM 0 HG13 VAL A 19 0.765 -3.194 -26.165 1.00 43.22 H new ATOM 0 HG21 VAL A 19 1.956 -1.473 -23.898 1.00 71.51 H new ATOM 0 HG22 VAL A 19 0.539 -2.531 -23.691 1.00 71.51 H new ATOM 0 HG23 VAL A 19 1.955 -2.721 -22.629 1.00 71.51 H new ATOM 128 N LYS A 20 1.991 -6.192 -26.322 1.00 11.22 N ATOM 129 CA LYS A 20 2.622 -7.119 -27.253 1.00 70.22 C ATOM 130 C LYS A 20 4.075 -6.731 -27.507 1.00 22.23 C ATOM 131 O LYS A 20 4.475 -5.580 -27.331 1.00 61.15 O ATOM 132 CB LYS A 20 1.853 -7.148 -28.576 1.00 33.42 C ATOM 133 CG LYS A 20 1.463 -5.771 -29.084 1.00 3.15 C ATOM 134 CD LYS A 20 1.616 -5.669 -30.592 1.00 11.21 C ATOM 135 CE LYS A 20 2.965 -5.081 -30.977 1.00 53.40 C ATOM 136 NZ LYS A 20 2.818 -3.865 -31.824 1.00 40.15 N ATOM 0 H LYS A 20 1.106 -5.803 -26.649 1.00 11.22 H new ATOM 0 HA LYS A 20 2.602 -8.113 -26.806 1.00 70.22 H new ATOM 0 HB2 LYS A 20 2.463 -7.645 -29.330 1.00 33.42 H new ATOM 0 HB3 LYS A 20 0.952 -7.748 -28.449 1.00 33.42 H new ATOM 0 HG2 LYS A 20 0.430 -5.559 -28.807 1.00 3.15 H new ATOM 0 HG3 LYS A 20 2.084 -5.015 -28.602 1.00 3.15 H new ATOM 0 HD2 LYS A 20 1.509 -6.658 -31.037 1.00 11.21 H new ATOM 0 HD3 LYS A 20 0.818 -5.048 -30.999 1.00 11.21 H new ATOM 0 HE2 LYS A 20 3.523 -4.830 -30.075 1.00 53.40 H new ATOM 0 HE3 LYS A 20 3.548 -5.830 -31.514 1.00 53.40 H new ATOM 0 HZ1 LYS A 20 3.540 -3.874 -32.573 1.00 40.15 H new ATOM 0 HZ2 LYS A 20 1.872 -3.855 -32.256 1.00 40.15 H new ATOM 0 HZ3 LYS A 20 2.940 -3.016 -31.236 1.00 40.15 H new ATOM 150 N PRO A 21 4.885 -7.713 -27.930 1.00 44.45 N ATOM 151 CA PRO A 21 6.306 -7.497 -28.219 1.00 43.11 C ATOM 152 C PRO A 21 6.522 -6.647 -29.467 1.00 11.14 C ATOM 153 O PRO A 21 5.595 -6.422 -30.245 1.00 31.31 O ATOM 154 CB PRO A 21 6.843 -8.914 -28.438 1.00 52.32 C ATOM 155 CG PRO A 21 5.658 -9.704 -28.875 1.00 61.03 C ATOM 156 CD PRO A 21 4.476 -9.108 -28.161 1.00 65.40 C ATOM 0 HA PRO A 21 6.807 -6.956 -27.416 1.00 43.11 H new ATOM 0 HB2 PRO A 21 7.628 -8.927 -29.194 1.00 52.32 H new ATOM 0 HB3 PRO A 21 7.274 -9.320 -27.523 1.00 52.32 H new ATOM 0 HG2 PRO A 21 5.529 -9.649 -29.956 1.00 61.03 H new ATOM 0 HG3 PRO A 21 5.776 -10.757 -28.622 1.00 61.03 H new ATOM 0 HD2 PRO A 21 3.570 -9.166 -28.765 1.00 65.40 H new ATOM 0 HD3 PRO A 21 4.269 -9.626 -27.225 1.00 65.40 H new ATOM 164 N VAL A 22 7.751 -6.176 -29.651 1.00 63.44 N ATOM 165 CA VAL A 22 8.089 -5.352 -30.806 1.00 30.23 C ATOM 166 C VAL A 22 8.966 -6.118 -31.790 1.00 2.31 C ATOM 167 O VAL A 22 9.668 -7.063 -31.429 1.00 51.23 O ATOM 168 CB VAL A 22 8.817 -4.063 -30.381 1.00 62.11 C ATOM 169 CG1 VAL A 22 7.837 -3.070 -29.775 1.00 73.53 C ATOM 170 CG2 VAL A 22 9.938 -4.382 -29.403 1.00 70.22 C ATOM 0 H VAL A 22 8.529 -6.351 -29.015 1.00 63.44 H new ATOM 0 HA VAL A 22 7.150 -5.087 -31.292 1.00 30.23 H new ATOM 0 HB VAL A 22 9.257 -3.607 -31.268 1.00 62.11 H new ATOM 0 HG11 VAL A 22 8.370 -2.166 -29.481 1.00 73.53 H new ATOM 0 HG12 VAL A 22 7.073 -2.818 -30.510 1.00 73.53 H new ATOM 0 HG13 VAL A 22 7.365 -3.514 -28.899 1.00 73.53 H new ATOM 0 HG21 VAL A 22 10.442 -3.460 -29.113 1.00 70.22 H new ATOM 0 HG22 VAL A 22 9.522 -4.862 -28.517 1.00 70.22 H new ATOM 0 HG23 VAL A 22 10.654 -5.053 -29.877 1.00 70.22 H new ATOM 180 N PRO A 23 8.928 -5.701 -33.064 1.00 73.44 N ATOM 181 CA PRO A 23 9.714 -6.334 -34.128 1.00 2.43 C ATOM 182 C PRO A 23 11.208 -6.064 -33.982 1.00 60.21 C ATOM 183 O PRO A 23 11.637 -5.214 -33.201 1.00 72.33 O ATOM 184 CB PRO A 23 9.175 -5.681 -35.403 1.00 61.43 C ATOM 185 CG PRO A 23 8.639 -4.365 -34.958 1.00 14.11 C ATOM 186 CD PRO A 23 8.114 -4.581 -33.565 1.00 72.25 C ATOM 0 HA PRO A 23 9.618 -7.420 -34.116 1.00 2.43 H new ATOM 0 HB2 PRO A 23 9.962 -5.557 -36.147 1.00 61.43 H new ATOM 0 HB3 PRO A 23 8.396 -6.291 -35.861 1.00 61.43 H new ATOM 0 HG2 PRO A 23 9.418 -3.603 -34.968 1.00 14.11 H new ATOM 0 HG3 PRO A 23 7.848 -4.020 -35.624 1.00 14.11 H new ATOM 0 HD2 PRO A 23 8.233 -3.690 -32.948 1.00 72.25 H new ATOM 0 HD3 PRO A 23 7.052 -4.826 -33.569 1.00 72.25 H new ATOM 194 N PRO A 24 12.021 -6.804 -34.751 1.00 2.41 N ATOM 195 CA PRO A 24 13.480 -6.661 -34.726 1.00 30.32 C ATOM 196 C PRO A 24 13.944 -5.342 -35.333 1.00 63.03 C ATOM 197 O PRO A 24 15.071 -4.902 -35.102 1.00 41.01 O ATOM 198 CB PRO A 24 13.966 -7.840 -35.573 1.00 30.34 C ATOM 199 CG PRO A 24 12.827 -8.148 -36.483 1.00 2.05 C ATOM 200 CD PRO A 24 11.579 -7.835 -35.704 1.00 61.14 C ATOM 0 HA PRO A 24 13.872 -6.659 -33.709 1.00 30.32 H new ATOM 0 HB2 PRO A 24 14.863 -7.580 -36.135 1.00 30.34 H new ATOM 0 HB3 PRO A 24 14.218 -8.698 -34.950 1.00 30.34 H new ATOM 0 HG2 PRO A 24 12.880 -7.549 -37.392 1.00 2.05 H new ATOM 0 HG3 PRO A 24 12.844 -9.194 -36.789 1.00 2.05 H new ATOM 0 HD2 PRO A 24 10.782 -7.469 -36.352 1.00 61.14 H new ATOM 0 HD3 PRO A 24 11.193 -8.717 -35.192 1.00 61.14 H new ATOM 208 N THR A 25 13.069 -4.713 -36.112 1.00 32.44 N ATOM 209 CA THR A 25 13.389 -3.445 -36.753 1.00 3.51 C ATOM 210 C THR A 25 13.111 -2.271 -35.820 1.00 63.31 C ATOM 211 O THR A 25 13.828 -1.271 -35.835 1.00 31.12 O ATOM 212 CB THR A 25 12.586 -3.253 -38.053 1.00 71.42 C ATOM 213 OG1 THR A 25 11.673 -4.343 -38.230 1.00 4.32 O ATOM 214 CG2 THR A 25 13.514 -3.163 -39.255 1.00 25.23 C ATOM 0 H THR A 25 12.132 -5.062 -36.314 1.00 32.44 H new ATOM 0 HA THR A 25 14.452 -3.472 -36.992 1.00 3.51 H new ATOM 0 HB THR A 25 12.028 -2.320 -37.974 1.00 71.42 H new ATOM 0 HG1 THR A 25 11.165 -4.213 -39.058 1.00 4.32 H new ATOM 0 HG21 THR A 25 12.924 -3.028 -40.161 1.00 25.23 H new ATOM 0 HG22 THR A 25 14.188 -2.316 -39.131 1.00 25.23 H new ATOM 0 HG23 THR A 25 14.096 -4.081 -39.335 1.00 25.23 H new ATOM 222 N ALA A 26 12.067 -2.401 -35.009 1.00 34.11 N ATOM 223 CA ALA A 26 11.696 -1.352 -34.067 1.00 71.20 C ATOM 224 C ALA A 26 12.842 -1.044 -33.110 1.00 42.50 C ATOM 225 O ALA A 26 13.186 -1.858 -32.253 1.00 1.14 O ATOM 226 CB ALA A 26 10.451 -1.756 -33.290 1.00 65.12 C ATOM 0 H ALA A 26 11.463 -3.222 -34.985 1.00 34.11 H new ATOM 0 HA ALA A 26 11.479 -0.448 -34.635 1.00 71.20 H new ATOM 0 HB1 ALA A 26 10.186 -0.963 -32.590 1.00 65.12 H new ATOM 0 HB2 ALA A 26 9.626 -1.919 -33.984 1.00 65.12 H new ATOM 0 HB3 ALA A 26 10.649 -2.675 -32.739 1.00 65.12 H new ATOM 232 N THR A 27 13.432 0.138 -33.262 1.00 1.20 N ATOM 233 CA THR A 27 14.541 0.554 -32.413 1.00 22.33 C ATOM 234 C THR A 27 14.037 1.192 -31.123 1.00 43.24 C ATOM 235 O THR A 27 12.835 1.394 -30.947 1.00 40.12 O ATOM 236 CB THR A 27 15.463 1.551 -33.140 1.00 32.11 C ATOM 237 OG1 THR A 27 14.690 2.393 -34.003 1.00 32.15 O ATOM 238 CG2 THR A 27 16.520 0.818 -33.952 1.00 75.33 C ATOM 0 H THR A 27 13.160 0.824 -33.966 1.00 1.20 H new ATOM 0 HA THR A 27 15.109 -0.345 -32.173 1.00 22.33 H new ATOM 0 HB THR A 27 15.964 2.162 -32.389 1.00 32.11 H new ATOM 0 HG1 THR A 27 15.283 3.025 -34.460 1.00 32.15 H new ATOM 0 HG21 THR A 27 17.159 1.543 -34.456 1.00 75.33 H new ATOM 0 HG22 THR A 27 17.125 0.201 -33.288 1.00 75.33 H new ATOM 0 HG23 THR A 27 16.034 0.185 -34.694 1.00 75.33 H new ATOM 246 N LEU A 28 14.963 1.509 -30.225 1.00 32.13 N ATOM 247 CA LEU A 28 14.612 2.126 -28.950 1.00 41.22 C ATOM 248 C LEU A 28 14.189 3.579 -29.147 1.00 24.53 C ATOM 249 O LEU A 28 13.184 4.022 -28.592 1.00 44.35 O ATOM 250 CB LEU A 28 15.795 2.054 -27.983 1.00 62.33 C ATOM 251 CG LEU A 28 15.454 2.154 -26.496 1.00 52.42 C ATOM 252 CD1 LEU A 28 16.383 1.274 -25.675 1.00 13.14 C ATOM 253 CD2 LEU A 28 15.533 3.600 -26.028 1.00 10.05 C ATOM 0 H LEU A 28 15.962 1.349 -30.356 1.00 32.13 H new ATOM 0 HA LEU A 28 13.771 1.576 -28.527 1.00 41.22 H new ATOM 0 HB2 LEU A 28 16.320 1.114 -28.152 1.00 62.33 H new ATOM 0 HB3 LEU A 28 16.490 2.856 -28.231 1.00 62.33 H new ATOM 0 HG LEU A 28 14.433 1.801 -26.352 1.00 52.42 H new ATOM 0 HD11 LEU A 28 16.125 1.358 -24.619 1.00 13.14 H new ATOM 0 HD12 LEU A 28 16.277 0.237 -25.993 1.00 13.14 H new ATOM 0 HD13 LEU A 28 17.414 1.595 -25.823 1.00 13.14 H new ATOM 0 HD21 LEU A 28 15.287 3.653 -24.967 1.00 10.05 H new ATOM 0 HD22 LEU A 28 16.543 3.979 -26.186 1.00 10.05 H new ATOM 0 HD23 LEU A 28 14.826 4.205 -26.595 1.00 10.05 H new ATOM 265 N GLU A 29 14.963 4.312 -29.941 1.00 13.41 N ATOM 266 CA GLU A 29 14.667 5.714 -30.211 1.00 53.41 C ATOM 267 C GLU A 29 13.323 5.860 -30.919 1.00 73.00 C ATOM 268 O GLU A 29 12.577 6.807 -30.668 1.00 65.41 O ATOM 269 CB GLU A 29 15.774 6.337 -31.063 1.00 44.52 C ATOM 270 CG GLU A 29 15.725 7.855 -31.111 1.00 11.45 C ATOM 271 CD GLU A 29 16.868 8.452 -31.909 1.00 30.33 C ATOM 272 OE1 GLU A 29 17.949 7.828 -31.953 1.00 31.33 O ATOM 273 OE2 GLU A 29 16.682 9.542 -32.489 1.00 21.32 O ATOM 0 H GLU A 29 15.798 3.959 -30.408 1.00 13.41 H new ATOM 0 HA GLU A 29 14.614 6.238 -29.256 1.00 53.41 H new ATOM 0 HB2 GLU A 29 16.742 6.026 -30.670 1.00 44.52 H new ATOM 0 HB3 GLU A 29 15.702 5.947 -32.078 1.00 44.52 H new ATOM 0 HG2 GLU A 29 14.778 8.170 -31.549 1.00 11.45 H new ATOM 0 HG3 GLU A 29 15.753 8.248 -30.095 1.00 11.45 H new ATOM 280 N GLN A 30 13.022 4.916 -31.805 1.00 34.45 N ATOM 281 CA GLN A 30 11.768 4.939 -32.550 1.00 5.53 C ATOM 282 C GLN A 30 10.582 4.676 -31.628 1.00 61.23 C ATOM 283 O GLN A 30 9.601 5.420 -31.633 1.00 51.44 O ATOM 284 CB GLN A 30 11.798 3.901 -33.672 1.00 64.22 C ATOM 285 CG GLN A 30 10.636 4.021 -34.644 1.00 15.41 C ATOM 286 CD GLN A 30 11.090 4.155 -36.084 1.00 72.40 C ATOM 287 OE1 GLN A 30 11.142 3.172 -36.824 1.00 24.31 O ATOM 288 NE2 GLN A 30 11.421 5.375 -36.490 1.00 70.32 N ATOM 0 H GLN A 30 13.629 4.126 -32.025 1.00 34.45 H new ATOM 0 HA GLN A 30 11.652 5.931 -32.986 1.00 5.53 H new ATOM 0 HB2 GLN A 30 12.733 4.001 -34.223 1.00 64.22 H new ATOM 0 HB3 GLN A 30 11.792 2.903 -33.233 1.00 64.22 H new ATOM 0 HG2 GLN A 30 9.996 3.144 -34.549 1.00 15.41 H new ATOM 0 HG3 GLN A 30 10.031 4.887 -34.376 1.00 15.41 H new ATOM 0 HE21 GLN A 30 11.363 6.161 -35.843 1.00 70.32 H new ATOM 0 HE22 GLN A 30 11.733 5.526 -37.449 1.00 70.32 H new ATOM 297 N LEU A 31 10.678 3.612 -30.839 1.00 31.14 N ATOM 298 CA LEU A 31 9.612 3.249 -29.911 1.00 0.21 C ATOM 299 C LEU A 31 9.323 4.390 -28.941 1.00 12.12 C ATOM 300 O LEU A 31 8.172 4.791 -28.761 1.00 63.11 O ATOM 301 CB LEU A 31 9.993 1.988 -29.134 1.00 32.22 C ATOM 302 CG LEU A 31 9.276 0.702 -29.548 1.00 14.33 C ATOM 303 CD1 LEU A 31 10.001 -0.515 -28.996 1.00 30.03 C ATOM 304 CD2 LEU A 31 7.829 0.723 -29.076 1.00 21.02 C ATOM 0 H LEU A 31 11.483 2.985 -30.823 1.00 31.14 H new ATOM 0 HA LEU A 31 8.710 3.052 -30.491 1.00 0.21 H new ATOM 0 HB2 LEU A 31 11.067 1.831 -29.239 1.00 32.22 H new ATOM 0 HB3 LEU A 31 9.798 2.164 -28.076 1.00 32.22 H new ATOM 0 HG LEU A 31 9.282 0.640 -30.636 1.00 14.33 H new ATOM 0 HD11 LEU A 31 9.476 -1.420 -29.301 1.00 30.03 H new ATOM 0 HD12 LEU A 31 11.020 -0.538 -29.383 1.00 30.03 H new ATOM 0 HD13 LEU A 31 10.028 -0.460 -27.908 1.00 30.03 H new ATOM 0 HD21 LEU A 31 7.334 -0.200 -29.379 1.00 21.02 H new ATOM 0 HD22 LEU A 31 7.802 0.809 -27.990 1.00 21.02 H new ATOM 0 HD23 LEU A 31 7.314 1.574 -29.521 1.00 21.02 H new ATOM 316 N THR A 32 10.375 4.912 -28.318 1.00 22.31 N ATOM 317 CA THR A 32 10.235 6.007 -27.367 1.00 51.20 C ATOM 318 C THR A 32 9.620 7.235 -28.029 1.00 72.23 C ATOM 319 O THR A 32 8.707 7.853 -27.483 1.00 74.14 O ATOM 320 CB THR A 32 11.593 6.396 -26.753 1.00 62.41 C ATOM 321 OG1 THR A 32 12.231 5.238 -26.202 1.00 72.11 O ATOM 322 CG2 THR A 32 11.416 7.448 -25.669 1.00 30.32 C ATOM 0 H THR A 32 11.334 4.593 -28.455 1.00 22.31 H new ATOM 0 HA THR A 32 9.574 5.654 -26.575 1.00 51.20 H new ATOM 0 HB THR A 32 12.218 6.813 -27.543 1.00 62.41 H new ATOM 0 HG1 THR A 32 12.631 4.710 -26.924 1.00 72.11 H new ATOM 0 HG21 THR A 32 12.389 7.706 -25.250 1.00 30.32 H new ATOM 0 HG22 THR A 32 10.957 8.339 -26.098 1.00 30.32 H new ATOM 0 HG23 THR A 32 10.775 7.054 -24.881 1.00 30.32 H new ATOM 330 N GLU A 33 10.126 7.582 -29.209 1.00 20.54 N ATOM 331 CA GLU A 33 9.625 8.736 -29.944 1.00 52.35 C ATOM 332 C GLU A 33 8.112 8.650 -30.128 1.00 64.23 C ATOM 333 O GLU A 33 7.379 9.572 -29.771 1.00 34.52 O ATOM 334 CB GLU A 33 10.311 8.836 -31.309 1.00 15.53 C ATOM 335 CG GLU A 33 10.029 10.140 -32.037 1.00 72.33 C ATOM 336 CD GLU A 33 9.847 9.946 -33.530 1.00 43.02 C ATOM 337 OE1 GLU A 33 8.823 9.355 -33.931 1.00 33.11 O ATOM 338 OE2 GLU A 33 10.729 10.385 -34.298 1.00 22.24 O ATOM 0 H GLU A 33 10.882 7.080 -29.675 1.00 20.54 H new ATOM 0 HA GLU A 33 9.853 9.630 -29.364 1.00 52.35 H new ATOM 0 HB2 GLU A 33 11.387 8.730 -31.174 1.00 15.53 H new ATOM 0 HB3 GLU A 33 9.985 8.004 -31.932 1.00 15.53 H new ATOM 0 HG2 GLU A 33 9.131 10.597 -31.621 1.00 72.33 H new ATOM 0 HG3 GLU A 33 10.850 10.835 -31.862 1.00 72.33 H new ATOM 345 N PHE A 34 7.653 7.536 -30.689 1.00 63.10 N ATOM 346 CA PHE A 34 6.229 7.328 -30.922 1.00 52.54 C ATOM 347 C PHE A 34 5.446 7.406 -29.615 1.00 25.14 C ATOM 348 O PHE A 34 4.376 8.011 -29.553 1.00 60.04 O ATOM 349 CB PHE A 34 5.992 5.973 -31.592 1.00 2.20 C ATOM 350 CG PHE A 34 5.928 6.048 -33.091 1.00 14.13 C ATOM 351 CD1 PHE A 34 7.005 6.522 -33.821 1.00 3.20 C ATOM 352 CD2 PHE A 34 4.789 5.645 -33.769 1.00 73.12 C ATOM 353 CE1 PHE A 34 6.949 6.592 -35.200 1.00 43.23 C ATOM 354 CE2 PHE A 34 4.727 5.712 -35.148 1.00 41.12 C ATOM 355 CZ PHE A 34 5.808 6.187 -35.865 1.00 2.44 C ATOM 0 H PHE A 34 8.247 6.763 -30.991 1.00 63.10 H new ATOM 0 HA PHE A 34 5.876 8.119 -31.584 1.00 52.54 H new ATOM 0 HB2 PHE A 34 6.791 5.290 -31.304 1.00 2.20 H new ATOM 0 HB3 PHE A 34 5.060 5.550 -31.217 1.00 2.20 H new ATOM 0 HD1 PHE A 34 7.899 6.841 -33.306 1.00 3.20 H new ATOM 0 HD2 PHE A 34 3.940 5.274 -33.214 1.00 73.12 H new ATOM 0 HE1 PHE A 34 7.796 6.963 -35.757 1.00 43.23 H new ATOM 0 HE2 PHE A 34 3.834 5.393 -35.665 1.00 41.12 H new ATOM 0 HZ PHE A 34 5.761 6.242 -36.943 1.00 2.44 H new ATOM 365 N PHE A 35 5.989 6.788 -28.570 1.00 54.14 N ATOM 366 CA PHE A 35 5.342 6.785 -27.264 1.00 33.15 C ATOM 367 C PHE A 35 5.035 8.208 -26.805 1.00 22.31 C ATOM 368 O PHE A 35 3.883 8.552 -26.543 1.00 52.21 O ATOM 369 CB PHE A 35 6.230 6.085 -26.233 1.00 0.12 C ATOM 370 CG PHE A 35 5.579 4.894 -25.591 1.00 32.34 C ATOM 371 CD1 PHE A 35 6.217 3.664 -25.573 1.00 40.04 C ATOM 372 CD2 PHE A 35 4.328 5.003 -25.005 1.00 10.44 C ATOM 373 CE1 PHE A 35 5.621 2.566 -24.983 1.00 33.31 C ATOM 374 CE2 PHE A 35 3.727 3.909 -24.412 1.00 60.23 C ATOM 375 CZ PHE A 35 4.374 2.688 -24.403 1.00 15.24 C ATOM 0 H PHE A 35 6.875 6.283 -28.603 1.00 54.14 H new ATOM 0 HA PHE A 35 4.402 6.240 -27.354 1.00 33.15 H new ATOM 0 HB2 PHE A 35 7.154 5.767 -26.717 1.00 0.12 H new ATOM 0 HB3 PHE A 35 6.506 6.800 -25.458 1.00 0.12 H new ATOM 0 HD1 PHE A 35 7.192 3.562 -26.026 1.00 40.04 H new ATOM 0 HD2 PHE A 35 3.817 5.954 -25.012 1.00 10.44 H new ATOM 0 HE1 PHE A 35 6.130 1.613 -24.976 1.00 33.31 H new ATOM 0 HE2 PHE A 35 2.753 4.008 -23.956 1.00 60.23 H new ATOM 0 HZ PHE A 35 3.905 1.831 -23.943 1.00 15.24 H new ATOM 385 N SER A 36 6.076 9.029 -26.710 1.00 14.44 N ATOM 386 CA SER A 36 5.919 10.414 -26.279 1.00 24.45 C ATOM 387 C SER A 36 4.988 11.173 -27.218 1.00 42.53 C ATOM 388 O SER A 36 4.255 12.068 -26.796 1.00 70.10 O ATOM 389 CB SER A 36 7.281 11.108 -26.220 1.00 2.42 C ATOM 390 OG SER A 36 7.274 12.166 -25.277 1.00 12.03 O ATOM 0 H SER A 36 7.036 8.760 -26.925 1.00 14.44 H new ATOM 0 HA SER A 36 5.477 10.411 -25.283 1.00 24.45 H new ATOM 0 HB2 SER A 36 8.050 10.384 -25.953 1.00 2.42 H new ATOM 0 HB3 SER A 36 7.538 11.497 -27.205 1.00 2.42 H new ATOM 0 HG SER A 36 8.156 12.592 -25.257 1.00 12.03 H new ATOM 396 N LYS A 37 5.023 10.811 -28.496 1.00 70.10 N ATOM 397 CA LYS A 37 4.183 11.456 -29.498 1.00 35.30 C ATOM 398 C LYS A 37 2.706 11.305 -29.148 1.00 75.40 C ATOM 399 O LYS A 37 1.905 12.210 -29.385 1.00 43.14 O ATOM 400 CB LYS A 37 4.453 10.859 -30.881 1.00 44.31 C ATOM 401 CG LYS A 37 3.912 11.701 -32.023 1.00 52.33 C ATOM 402 CD LYS A 37 3.111 10.861 -33.004 1.00 44.34 C ATOM 403 CE LYS A 37 3.966 10.410 -34.178 1.00 65.44 C ATOM 404 NZ LYS A 37 3.598 11.116 -35.437 1.00 23.42 N ATOM 0 H LYS A 37 5.625 10.074 -28.862 1.00 70.10 H new ATOM 0 HA LYS A 37 4.429 12.518 -29.513 1.00 35.30 H new ATOM 0 HB2 LYS A 37 5.528 10.735 -31.010 1.00 44.31 H new ATOM 0 HB3 LYS A 37 4.009 9.865 -30.931 1.00 44.31 H new ATOM 0 HG2 LYS A 37 3.282 12.496 -31.624 1.00 52.33 H new ATOM 0 HG3 LYS A 37 4.739 12.182 -32.545 1.00 52.33 H new ATOM 0 HD2 LYS A 37 2.705 9.989 -32.491 1.00 44.34 H new ATOM 0 HD3 LYS A 37 2.262 11.438 -33.371 1.00 44.34 H new ATOM 0 HE2 LYS A 37 5.017 10.593 -33.953 1.00 65.44 H new ATOM 0 HE3 LYS A 37 3.852 9.335 -34.318 1.00 65.44 H new ATOM 0 HZ1 LYS A 37 4.204 10.780 -36.213 1.00 23.42 H new ATOM 0 HZ2 LYS A 37 2.602 10.921 -35.666 1.00 23.42 H new ATOM 0 HZ3 LYS A 37 3.731 12.140 -35.312 1.00 23.42 H new ATOM 418 N HIS A 38 2.351 10.156 -28.581 1.00 73.23 N ATOM 419 CA HIS A 38 0.970 9.888 -28.197 1.00 34.45 C ATOM 420 C HIS A 38 0.913 9.042 -26.928 1.00 4.34 C ATOM 421 O HIS A 38 1.343 7.890 -26.918 1.00 63.42 O ATOM 422 CB HIS A 38 0.231 9.176 -29.330 1.00 61.15 C ATOM 423 CG HIS A 38 -1.259 9.308 -29.251 1.00 23.45 C ATOM 424 ND1 HIS A 38 -2.106 8.900 -30.260 1.00 25.25 N ATOM 425 CD2 HIS A 38 -2.052 9.804 -28.273 1.00 34.32 C ATOM 426 CE1 HIS A 38 -3.355 9.141 -29.907 1.00 15.13 C ATOM 427 NE2 HIS A 38 -3.351 9.689 -28.705 1.00 2.11 N ATOM 0 H HIS A 38 3.000 9.396 -28.378 1.00 73.23 H new ATOM 0 HA HIS A 38 0.483 10.843 -27.999 1.00 34.45 H new ATOM 0 HB2 HIS A 38 0.573 9.577 -30.284 1.00 61.15 H new ATOM 0 HB3 HIS A 38 0.495 8.118 -29.316 1.00 61.15 H new ATOM 0 HD2 HIS A 38 -1.725 10.214 -27.329 1.00 34.32 H new ATOM 0 HE1 HIS A 38 -4.232 8.927 -30.500 1.00 15.13 H new ATOM 0 HE2 HIS A 38 -4.178 9.979 -28.183 1.00 2.11 H new ATOM 435 N GLY A 39 0.381 9.624 -25.857 1.00 52.43 N ATOM 436 CA GLY A 39 0.279 8.910 -24.598 1.00 3.40 C ATOM 437 C GLY A 39 1.410 9.250 -23.647 1.00 34.55 C ATOM 438 O GLY A 39 2.548 9.453 -24.070 1.00 1.15 O ATOM 0 H GLY A 39 0.019 10.577 -25.839 1.00 52.43 H new ATOM 0 HA2 GLY A 39 -0.674 9.148 -24.125 1.00 3.40 H new ATOM 0 HA3 GLY A 39 0.280 7.837 -24.791 1.00 3.40 H new ATOM 442 N THR A 40 1.096 9.312 -22.356 1.00 42.50 N ATOM 443 CA THR A 40 2.093 9.632 -21.342 1.00 40.22 C ATOM 444 C THR A 40 2.414 8.414 -20.484 1.00 3.34 C ATOM 445 O THR A 40 1.555 7.905 -19.764 1.00 52.21 O ATOM 446 CB THR A 40 1.618 10.779 -20.430 1.00 24.25 C ATOM 447 OG1 THR A 40 0.644 11.576 -21.111 1.00 42.55 O ATOM 448 CG2 THR A 40 2.789 11.652 -20.005 1.00 1.33 C ATOM 0 H THR A 40 0.159 9.145 -21.989 1.00 42.50 H new ATOM 0 HA THR A 40 2.993 9.947 -21.871 1.00 40.22 H new ATOM 0 HB THR A 40 1.168 10.342 -19.538 1.00 24.25 H new ATOM 0 HG1 THR A 40 0.346 12.302 -20.523 1.00 42.55 H new ATOM 0 HG21 THR A 40 2.429 12.455 -19.362 1.00 1.33 H new ATOM 0 HG22 THR A 40 3.514 11.048 -19.460 1.00 1.33 H new ATOM 0 HG23 THR A 40 3.263 12.080 -20.888 1.00 1.33 H new ATOM 456 N VAL A 41 3.658 7.951 -20.563 1.00 52.31 N ATOM 457 CA VAL A 41 4.093 6.793 -19.791 1.00 42.44 C ATOM 458 C VAL A 41 5.221 7.163 -18.835 1.00 1.24 C ATOM 459 O VAL A 41 6.053 8.016 -19.142 1.00 0.44 O ATOM 460 CB VAL A 41 4.568 5.652 -20.711 1.00 0.52 C ATOM 461 CG1 VAL A 41 3.385 5.009 -21.418 1.00 21.22 C ATOM 462 CG2 VAL A 41 5.585 6.168 -21.717 1.00 41.35 C ATOM 0 H VAL A 41 4.382 8.360 -21.154 1.00 52.31 H new ATOM 0 HA VAL A 41 3.231 6.452 -19.217 1.00 42.44 H new ATOM 0 HB VAL A 41 5.051 4.891 -20.098 1.00 0.52 H new ATOM 0 HG11 VAL A 41 3.740 4.205 -22.063 1.00 21.22 H new ATOM 0 HG12 VAL A 41 2.696 4.603 -20.678 1.00 21.22 H new ATOM 0 HG13 VAL A 41 2.870 5.758 -22.020 1.00 21.22 H new ATOM 0 HG21 VAL A 41 5.910 5.349 -22.359 1.00 41.35 H new ATOM 0 HG22 VAL A 41 5.130 6.948 -22.327 1.00 41.35 H new ATOM 0 HG23 VAL A 41 6.445 6.577 -21.187 1.00 41.35 H new ATOM 472 N GLN A 42 5.242 6.515 -17.675 1.00 21.34 N ATOM 473 CA GLN A 42 6.268 6.776 -16.672 1.00 45.15 C ATOM 474 C GLN A 42 7.577 6.084 -17.040 1.00 40.42 C ATOM 475 O GLN A 42 8.625 6.724 -17.128 1.00 31.44 O ATOM 476 CB GLN A 42 5.798 6.305 -15.295 1.00 62.33 C ATOM 477 CG GLN A 42 6.607 6.883 -14.145 1.00 53.44 C ATOM 478 CD GLN A 42 6.000 6.573 -12.791 1.00 64.42 C ATOM 479 OE1 GLN A 42 5.800 7.466 -11.968 1.00 1.11 O ATOM 480 NE2 GLN A 42 5.704 5.300 -12.553 1.00 2.32 N ATOM 0 H GLN A 42 4.560 5.805 -17.406 1.00 21.34 H new ATOM 0 HA GLN A 42 6.443 7.851 -16.639 1.00 45.15 H new ATOM 0 HB2 GLN A 42 4.751 6.578 -15.165 1.00 62.33 H new ATOM 0 HB3 GLN A 42 5.851 5.217 -15.255 1.00 62.33 H new ATOM 0 HG2 GLN A 42 7.621 6.486 -14.184 1.00 53.44 H new ATOM 0 HG3 GLN A 42 6.683 7.964 -14.266 1.00 53.44 H new ATOM 0 HE21 GLN A 42 5.887 4.592 -13.264 1.00 2.32 H new ATOM 0 HE22 GLN A 42 5.294 5.030 -11.659 1.00 2.32 H new ATOM 489 N ALA A 43 7.508 4.775 -17.254 1.00 64.42 N ATOM 490 CA ALA A 43 8.687 3.997 -17.614 1.00 63.42 C ATOM 491 C ALA A 43 8.296 2.694 -18.303 1.00 70.22 C ATOM 492 O ALA A 43 7.151 2.250 -18.210 1.00 64.03 O ATOM 493 CB ALA A 43 9.528 3.711 -16.379 1.00 23.42 C ATOM 0 H ALA A 43 6.648 4.231 -17.184 1.00 64.42 H new ATOM 0 HA ALA A 43 9.279 4.585 -18.315 1.00 63.42 H new ATOM 0 HB1 ALA A 43 10.405 3.129 -16.663 1.00 23.42 H new ATOM 0 HB2 ALA A 43 9.846 4.652 -15.930 1.00 23.42 H new ATOM 0 HB3 ALA A 43 8.936 3.147 -15.658 1.00 23.42 H new ATOM 499 N VAL A 44 9.254 2.085 -18.996 1.00 34.03 N ATOM 500 CA VAL A 44 9.009 0.832 -19.700 1.00 52.35 C ATOM 501 C VAL A 44 10.237 -0.070 -19.660 1.00 30.00 C ATOM 502 O VAL A 44 11.371 0.407 -19.686 1.00 4.34 O ATOM 503 CB VAL A 44 8.617 1.082 -21.169 1.00 31.10 C ATOM 504 CG1 VAL A 44 9.726 1.823 -21.899 1.00 43.33 C ATOM 505 CG2 VAL A 44 8.295 -0.232 -21.865 1.00 32.04 C ATOM 0 H VAL A 44 10.206 2.439 -19.085 1.00 34.03 H new ATOM 0 HA VAL A 44 8.182 0.338 -19.189 1.00 52.35 H new ATOM 0 HB VAL A 44 7.723 1.705 -21.187 1.00 31.10 H new ATOM 0 HG11 VAL A 44 9.431 1.990 -22.935 1.00 43.33 H new ATOM 0 HG12 VAL A 44 9.904 2.782 -21.413 1.00 43.33 H new ATOM 0 HG13 VAL A 44 10.639 1.228 -21.873 1.00 43.33 H new ATOM 0 HG21 VAL A 44 8.020 -0.037 -22.902 1.00 32.04 H new ATOM 0 HG22 VAL A 44 9.170 -0.882 -21.838 1.00 32.04 H new ATOM 0 HG23 VAL A 44 7.464 -0.720 -21.355 1.00 32.04 H new ATOM 515 N TRP A 45 10.003 -1.376 -19.597 1.00 53.31 N ATOM 516 CA TRP A 45 11.091 -2.346 -19.554 1.00 11.05 C ATOM 517 C TRP A 45 10.596 -3.737 -19.935 1.00 13.31 C ATOM 518 O TRP A 45 9.392 -3.965 -20.057 1.00 21.13 O ATOM 519 CB TRP A 45 11.717 -2.379 -18.158 1.00 52.23 C ATOM 520 CG TRP A 45 13.163 -1.984 -18.147 1.00 33.25 C ATOM 521 CD1 TRP A 45 14.209 -2.690 -18.667 1.00 62.42 C ATOM 522 CD2 TRP A 45 13.721 -0.791 -17.585 1.00 32.54 C ATOM 523 NE1 TRP A 45 15.385 -2.008 -18.463 1.00 35.53 N ATOM 524 CE2 TRP A 45 15.112 -0.840 -17.802 1.00 31.24 C ATOM 525 CE3 TRP A 45 13.181 0.314 -16.921 1.00 61.24 C ATOM 526 CZ2 TRP A 45 15.967 0.173 -17.377 1.00 40.32 C ATOM 527 CZ3 TRP A 45 14.031 1.319 -16.501 1.00 22.44 C ATOM 528 CH2 TRP A 45 15.411 1.243 -16.730 1.00 44.53 C ATOM 0 H TRP A 45 9.070 -1.787 -19.575 1.00 53.31 H new ATOM 0 HA TRP A 45 11.847 -2.039 -20.277 1.00 11.05 H new ATOM 0 HB2 TRP A 45 11.160 -1.710 -17.502 1.00 52.23 H new ATOM 0 HB3 TRP A 45 11.619 -3.384 -17.747 1.00 52.23 H new ATOM 0 HD1 TRP A 45 14.125 -3.644 -19.166 1.00 62.42 H new ATOM 0 HE1 TRP A 45 16.310 -2.321 -18.756 1.00 35.53 H new ATOM 0 HE3 TRP A 45 12.118 0.381 -16.740 1.00 61.24 H new ATOM 0 HZ2 TRP A 45 17.031 0.116 -17.552 1.00 40.32 H new ATOM 0 HZ3 TRP A 45 13.625 2.178 -15.987 1.00 22.44 H new ATOM 0 HH2 TRP A 45 16.049 2.045 -16.389 1.00 44.53 H new ATOM 539 N ARG A 46 11.531 -4.662 -20.122 1.00 33.41 N ATOM 540 CA ARG A 46 11.188 -6.031 -20.491 1.00 1.35 C ATOM 541 C ARG A 46 12.350 -6.978 -20.205 1.00 10.21 C ATOM 542 O ARG A 46 13.512 -6.634 -20.423 1.00 31.03 O ATOM 543 CB ARG A 46 10.809 -6.103 -21.971 1.00 22.11 C ATOM 544 CG ARG A 46 11.885 -5.568 -22.902 1.00 11.33 C ATOM 545 CD ARG A 46 11.684 -4.089 -23.193 1.00 1.33 C ATOM 546 NE ARG A 46 11.019 -3.868 -24.474 1.00 62.32 N ATOM 547 CZ ARG A 46 10.757 -2.664 -24.969 1.00 1.54 C ATOM 548 NH1 ARG A 46 11.102 -1.576 -24.293 1.00 23.54 N ATOM 549 NH2 ARG A 46 10.149 -2.544 -26.142 1.00 31.41 N ATOM 0 H ARG A 46 12.532 -4.489 -20.024 1.00 33.41 H new ATOM 0 HA ARG A 46 10.333 -6.340 -19.889 1.00 1.35 H new ATOM 0 HB2 ARG A 46 10.596 -7.139 -22.233 1.00 22.11 H new ATOM 0 HB3 ARG A 46 9.890 -5.539 -22.130 1.00 22.11 H new ATOM 0 HG2 ARG A 46 12.866 -5.722 -22.452 1.00 11.33 H new ATOM 0 HG3 ARG A 46 11.871 -6.129 -23.836 1.00 11.33 H new ATOM 0 HD2 ARG A 46 11.092 -3.640 -22.395 1.00 1.33 H new ATOM 0 HD3 ARG A 46 12.651 -3.585 -23.195 1.00 1.33 H new ATOM 0 HE ARG A 46 10.740 -4.684 -25.019 1.00 62.32 H new ATOM 0 HH11 ARG A 46 11.570 -1.663 -23.391 1.00 23.54 H new ATOM 0 HH12 ARG A 46 10.900 -0.652 -24.676 1.00 23.54 H new ATOM 0 HH21 ARG A 46 9.882 -3.378 -26.666 1.00 31.41 H new ATOM 0 HH22 ARG A 46 9.949 -1.618 -26.520 1.00 31.41 H new ATOM 563 N ARG A 47 12.028 -8.171 -19.716 1.00 13.21 N ATOM 564 CA ARG A 47 13.044 -9.167 -19.399 1.00 3.41 C ATOM 565 C ARG A 47 12.536 -10.575 -19.694 1.00 4.14 C ATOM 566 O ARG A 47 11.329 -10.815 -19.731 1.00 24.41 O ATOM 567 CB ARG A 47 13.454 -9.058 -17.929 1.00 42.10 C ATOM 568 CG ARG A 47 12.346 -9.431 -16.958 1.00 73.54 C ATOM 569 CD ARG A 47 11.957 -8.255 -16.077 1.00 3.12 C ATOM 570 NE ARG A 47 11.499 -8.686 -14.759 1.00 73.31 N ATOM 571 CZ ARG A 47 10.858 -7.893 -13.908 1.00 10.12 C ATOM 572 NH1 ARG A 47 10.601 -6.634 -14.235 1.00 2.12 N ATOM 573 NH2 ARG A 47 10.472 -8.359 -12.727 1.00 2.23 N ATOM 0 H ARG A 47 11.071 -8.471 -19.531 1.00 13.21 H new ATOM 0 HA ARG A 47 13.914 -8.975 -20.027 1.00 3.41 H new ATOM 0 HB2 ARG A 47 14.314 -9.704 -17.752 1.00 42.10 H new ATOM 0 HB3 ARG A 47 13.776 -8.037 -17.725 1.00 42.10 H new ATOM 0 HG2 ARG A 47 11.474 -9.774 -17.514 1.00 73.54 H new ATOM 0 HG3 ARG A 47 12.673 -10.262 -16.333 1.00 73.54 H new ATOM 0 HD2 ARG A 47 12.812 -7.589 -15.964 1.00 3.12 H new ATOM 0 HD3 ARG A 47 11.169 -7.682 -16.565 1.00 3.12 H new ATOM 0 HE ARG A 47 11.681 -9.649 -14.476 1.00 73.31 H new ATOM 0 HH11 ARG A 47 10.896 -6.272 -15.142 1.00 2.12 H new ATOM 0 HH12 ARG A 47 10.109 -6.027 -13.580 1.00 2.12 H new ATOM 0 HH21 ARG A 47 10.668 -9.327 -12.472 1.00 2.23 H new ATOM 0 HH22 ARG A 47 9.980 -7.749 -12.074 1.00 2.23 H new ATOM 587 N TYR A 48 13.465 -11.501 -19.903 1.00 21.33 N ATOM 588 CA TYR A 48 13.112 -12.885 -20.197 1.00 52.11 C ATOM 589 C TYR A 48 14.074 -13.851 -19.512 1.00 12.52 C ATOM 590 O TYR A 48 15.287 -13.784 -19.712 1.00 53.15 O ATOM 591 CB TYR A 48 13.120 -13.125 -21.708 1.00 24.23 C ATOM 592 CG TYR A 48 14.452 -12.828 -22.360 1.00 75.25 C ATOM 593 CD1 TYR A 48 15.364 -13.845 -22.617 1.00 13.42 C ATOM 594 CD2 TYR A 48 14.798 -11.532 -22.720 1.00 14.41 C ATOM 595 CE1 TYR A 48 16.581 -13.578 -23.212 1.00 64.14 C ATOM 596 CE2 TYR A 48 16.012 -11.256 -23.317 1.00 63.02 C ATOM 597 CZ TYR A 48 16.901 -12.282 -23.561 1.00 71.41 C ATOM 598 OH TYR A 48 18.113 -12.012 -24.155 1.00 15.24 O ATOM 0 H TYR A 48 14.468 -11.319 -19.874 1.00 21.33 H new ATOM 0 HA TYR A 48 12.109 -13.067 -19.812 1.00 52.11 H new ATOM 0 HB2 TYR A 48 12.852 -14.163 -21.904 1.00 24.23 H new ATOM 0 HB3 TYR A 48 12.352 -12.505 -22.170 1.00 24.23 H new ATOM 0 HD1 TYR A 48 15.117 -14.861 -22.347 1.00 13.42 H new ATOM 0 HD2 TYR A 48 14.105 -10.726 -22.530 1.00 14.41 H new ATOM 0 HE1 TYR A 48 17.279 -14.380 -23.403 1.00 64.14 H new ATOM 0 HE2 TYR A 48 16.264 -10.242 -23.591 1.00 63.02 H new ATOM 0 HH TYR A 48 18.181 -11.052 -24.338 1.00 15.24 H new ATOM 608 N PHE A 49 13.523 -14.749 -18.702 1.00 2.43 N ATOM 609 CA PHE A 49 14.331 -15.729 -17.985 1.00 51.14 C ATOM 610 C PHE A 49 14.627 -16.938 -18.867 1.00 62.33 C ATOM 611 O PHE A 49 13.714 -17.586 -19.378 1.00 20.21 O ATOM 612 CB PHE A 49 13.615 -16.177 -16.710 1.00 14.03 C ATOM 613 CG PHE A 49 14.319 -15.762 -15.450 1.00 14.24 C ATOM 614 CD1 PHE A 49 14.820 -16.712 -14.575 1.00 32.22 C ATOM 615 CD2 PHE A 49 14.479 -14.421 -15.139 1.00 53.25 C ATOM 616 CE1 PHE A 49 15.468 -16.334 -13.415 1.00 4.55 C ATOM 617 CE2 PHE A 49 15.127 -14.036 -13.981 1.00 32.20 C ATOM 618 CZ PHE A 49 15.621 -14.994 -13.117 1.00 1.42 C ATOM 0 H PHE A 49 12.521 -14.818 -18.526 1.00 2.43 H new ATOM 0 HA PHE A 49 15.276 -15.257 -17.716 1.00 51.14 H new ATOM 0 HB2 PHE A 49 12.606 -15.765 -16.706 1.00 14.03 H new ATOM 0 HB3 PHE A 49 13.516 -17.262 -16.721 1.00 14.03 H new ATOM 0 HD1 PHE A 49 14.703 -17.761 -14.803 1.00 32.22 H new ATOM 0 HD2 PHE A 49 14.093 -13.668 -15.810 1.00 53.25 H new ATOM 0 HE1 PHE A 49 15.854 -17.085 -12.742 1.00 4.55 H new ATOM 0 HE2 PHE A 49 15.247 -12.987 -13.752 1.00 32.20 H new ATOM 0 HZ PHE A 49 16.126 -14.696 -12.210 1.00 1.42 H new ATOM 628 N ALA A 50 15.911 -17.236 -19.042 1.00 13.32 N ATOM 629 CA ALA A 50 16.328 -18.367 -19.860 1.00 63.22 C ATOM 630 C ALA A 50 16.164 -19.682 -19.105 1.00 12.43 C ATOM 631 O ALA A 50 15.824 -20.708 -19.692 1.00 12.14 O ATOM 632 CB ALA A 50 17.772 -18.191 -20.308 1.00 12.42 C ATOM 0 H ALA A 50 16.680 -16.709 -18.628 1.00 13.32 H new ATOM 0 HA ALA A 50 15.687 -18.401 -20.741 1.00 63.22 H new ATOM 0 HB1 ALA A 50 18.070 -19.043 -20.918 1.00 12.42 H new ATOM 0 HB2 ALA A 50 17.862 -17.276 -20.894 1.00 12.42 H new ATOM 0 HB3 ALA A 50 18.419 -18.127 -19.433 1.00 12.42 H new ATOM 638 N GLY A 51 16.408 -19.643 -17.798 1.00 43.32 N ATOM 639 CA GLY A 51 16.283 -20.837 -16.984 1.00 74.52 C ATOM 640 C GLY A 51 17.557 -21.658 -16.958 1.00 51.01 C ATOM 641 O GLY A 51 17.926 -22.277 -17.956 1.00 23.40 O ATOM 0 H GLY A 51 16.690 -18.805 -17.289 1.00 43.32 H new ATOM 0 HA2 GLY A 51 16.017 -20.553 -15.966 1.00 74.52 H new ATOM 0 HA3 GLY A 51 15.467 -21.450 -17.367 1.00 74.52 H new ATOM 645 N LYS A 52 18.233 -21.662 -15.814 1.00 72.12 N ATOM 646 CA LYS A 52 19.474 -22.412 -15.661 1.00 11.22 C ATOM 647 C LYS A 52 19.516 -23.124 -14.313 1.00 3.14 C ATOM 648 O LYS A 52 20.500 -23.028 -13.578 1.00 50.44 O ATOM 649 CB LYS A 52 20.678 -21.477 -15.794 1.00 63.10 C ATOM 650 CG LYS A 52 21.890 -22.133 -16.434 1.00 34.23 C ATOM 651 CD LYS A 52 21.851 -22.018 -17.948 1.00 62.23 C ATOM 652 CE LYS A 52 23.150 -21.449 -18.497 1.00 44.32 C ATOM 653 NZ LYS A 52 24.209 -22.490 -18.608 1.00 5.23 N ATOM 0 H LYS A 52 17.942 -21.154 -14.979 1.00 72.12 H new ATOM 0 HA LYS A 52 19.516 -23.163 -16.450 1.00 11.22 H new ATOM 0 HB2 LYS A 52 20.390 -20.609 -16.387 1.00 63.10 H new ATOM 0 HB3 LYS A 52 20.954 -21.110 -14.805 1.00 63.10 H new ATOM 0 HG2 LYS A 52 22.800 -21.666 -16.056 1.00 34.23 H new ATOM 0 HG3 LYS A 52 21.929 -23.184 -16.149 1.00 34.23 H new ATOM 0 HD2 LYS A 52 21.670 -23.000 -18.384 1.00 62.23 H new ATOM 0 HD3 LYS A 52 21.019 -21.379 -18.244 1.00 62.23 H new ATOM 0 HE2 LYS A 52 22.968 -21.010 -19.478 1.00 44.32 H new ATOM 0 HE3 LYS A 52 23.497 -20.645 -17.848 1.00 44.32 H new ATOM 0 HZ1 LYS A 52 25.078 -22.062 -18.986 1.00 5.23 H new ATOM 0 HZ2 LYS A 52 24.401 -22.891 -17.668 1.00 5.23 H new ATOM 0 HZ3 LYS A 52 23.888 -23.245 -19.248 1.00 5.23 H new ATOM 667 N LYS A 53 18.444 -23.840 -13.993 1.00 31.20 N ATOM 668 CA LYS A 53 18.359 -24.572 -12.734 1.00 51.44 C ATOM 669 C LYS A 53 17.533 -25.844 -12.899 1.00 2.50 C ATOM 670 O LYS A 53 16.929 -26.071 -13.947 1.00 61.42 O ATOM 671 CB LYS A 53 17.742 -23.688 -11.648 1.00 5.32 C ATOM 672 CG LYS A 53 16.323 -23.245 -11.957 1.00 34.25 C ATOM 673 CD LYS A 53 16.296 -21.873 -12.610 1.00 34.54 C ATOM 674 CE LYS A 53 14.976 -21.622 -13.322 1.00 52.55 C ATOM 675 NZ LYS A 53 14.183 -20.549 -12.659 1.00 61.34 N ATOM 0 H LYS A 53 17.621 -23.929 -14.588 1.00 31.20 H new ATOM 0 HA LYS A 53 19.369 -24.852 -12.436 1.00 51.44 H new ATOM 0 HB2 LYS A 53 17.746 -24.232 -10.703 1.00 5.32 H new ATOM 0 HB3 LYS A 53 18.367 -22.806 -11.511 1.00 5.32 H new ATOM 0 HG2 LYS A 53 15.850 -23.972 -12.617 1.00 34.25 H new ATOM 0 HG3 LYS A 53 15.740 -23.222 -11.037 1.00 34.25 H new ATOM 0 HD2 LYS A 53 16.454 -21.105 -11.853 1.00 34.54 H new ATOM 0 HD3 LYS A 53 17.117 -21.792 -13.323 1.00 34.54 H new ATOM 0 HE2 LYS A 53 15.169 -21.343 -14.358 1.00 52.55 H new ATOM 0 HE3 LYS A 53 14.394 -22.543 -13.343 1.00 52.55 H new ATOM 0 HZ1 LYS A 53 13.291 -20.408 -13.174 1.00 61.34 H new ATOM 0 HZ2 LYS A 53 13.976 -20.826 -11.678 1.00 61.34 H new ATOM 0 HZ3 LYS A 53 14.728 -19.663 -12.661 1.00 61.34 H new ATOM 689 N ASP A 54 17.511 -26.668 -11.857 1.00 53.53 N ATOM 690 CA ASP A 54 16.757 -27.915 -11.886 1.00 33.43 C ATOM 691 C ASP A 54 15.424 -27.762 -11.159 1.00 40.22 C ATOM 692 O ASP A 54 14.887 -28.727 -10.616 1.00 3.31 O ATOM 693 CB ASP A 54 17.571 -29.043 -11.250 1.00 3.02 C ATOM 694 CG ASP A 54 18.925 -29.222 -11.909 1.00 32.12 C ATOM 695 OD1 ASP A 54 18.960 -29.582 -13.104 1.00 40.14 O ATOM 696 OD2 ASP A 54 19.949 -29.002 -11.229 1.00 52.33 O ATOM 0 H ASP A 54 18.007 -26.495 -10.982 1.00 53.53 H new ATOM 0 HA ASP A 54 16.556 -28.164 -12.928 1.00 33.43 H new ATOM 0 HB2 ASP A 54 17.711 -28.833 -10.190 1.00 3.02 H new ATOM 0 HB3 ASP A 54 17.010 -29.975 -11.319 1.00 3.02 H new ATOM 701 N ALA A 55 14.896 -26.542 -11.153 1.00 64.03 N ATOM 702 CA ALA A 55 13.627 -26.262 -10.495 1.00 34.24 C ATOM 703 C ALA A 55 12.524 -26.001 -11.516 1.00 23.45 C ATOM 704 O ALA A 55 12.783 -25.687 -12.677 1.00 51.04 O ATOM 705 CB ALA A 55 13.770 -25.074 -9.555 1.00 30.33 C ATOM 0 H ALA A 55 15.328 -25.732 -11.597 1.00 64.03 H new ATOM 0 HA ALA A 55 13.347 -27.140 -9.913 1.00 34.24 H new ATOM 0 HB1 ALA A 55 12.814 -24.876 -9.070 1.00 30.33 H new ATOM 0 HB2 ALA A 55 14.521 -25.298 -8.798 1.00 30.33 H new ATOM 0 HB3 ALA A 55 14.077 -24.196 -10.123 1.00 30.33 H new ATOM 711 N PRO A 56 11.265 -26.135 -11.075 1.00 14.04 N ATOM 712 CA PRO A 56 10.098 -25.918 -11.935 1.00 34.21 C ATOM 713 C PRO A 56 9.916 -24.451 -12.306 1.00 51.54 C ATOM 714 O PRO A 56 10.543 -23.558 -11.735 1.00 64.43 O ATOM 715 CB PRO A 56 8.928 -26.401 -11.074 1.00 14.32 C ATOM 716 CG PRO A 56 9.402 -26.247 -9.670 1.00 12.10 C ATOM 717 CD PRO A 56 10.882 -26.507 -9.702 1.00 65.31 C ATOM 0 HA PRO A 56 10.190 -26.442 -12.886 1.00 34.21 H new ATOM 0 HB2 PRO A 56 8.031 -25.809 -11.256 1.00 14.32 H new ATOM 0 HB3 PRO A 56 8.675 -27.438 -11.295 1.00 14.32 H new ATOM 0 HG2 PRO A 56 9.190 -25.246 -9.294 1.00 12.10 H new ATOM 0 HG3 PRO A 56 8.896 -26.950 -9.008 1.00 12.10 H new ATOM 0 HD2 PRO A 56 11.411 -25.908 -8.961 1.00 65.31 H new ATOM 0 HD3 PRO A 56 11.111 -27.551 -9.490 1.00 65.31 H new ATOM 725 N PRO A 57 9.037 -24.192 -13.286 1.00 10.40 N ATOM 726 CA PRO A 57 8.752 -22.832 -13.755 1.00 33.33 C ATOM 727 C PRO A 57 7.990 -22.010 -12.720 1.00 61.35 C ATOM 728 O PRO A 57 6.776 -22.150 -12.576 1.00 41.52 O ATOM 729 CB PRO A 57 7.888 -23.060 -14.998 1.00 44.31 C ATOM 730 CG PRO A 57 7.252 -24.389 -14.780 1.00 1.14 C ATOM 731 CD PRO A 57 8.253 -25.206 -14.011 1.00 25.00 C ATOM 0 HA PRO A 57 9.664 -22.268 -13.950 1.00 33.33 H new ATOM 0 HB2 PRO A 57 7.139 -22.276 -15.108 1.00 44.31 H new ATOM 0 HB3 PRO A 57 8.491 -23.054 -15.906 1.00 44.31 H new ATOM 0 HG2 PRO A 57 6.320 -24.289 -14.224 1.00 1.14 H new ATOM 0 HG3 PRO A 57 7.007 -24.865 -15.730 1.00 1.14 H new ATOM 0 HD2 PRO A 57 7.765 -25.900 -13.327 1.00 25.00 H new ATOM 0 HD3 PRO A 57 8.881 -25.801 -14.675 1.00 25.00 H new ATOM 739 N GLU A 58 8.712 -21.154 -12.004 1.00 14.01 N ATOM 740 CA GLU A 58 8.102 -20.310 -10.983 1.00 20.23 C ATOM 741 C GLU A 58 7.854 -18.903 -11.517 1.00 52.51 C ATOM 742 O GLU A 58 6.795 -18.318 -11.289 1.00 32.13 O ATOM 743 CB GLU A 58 8.996 -20.246 -9.742 1.00 74.42 C ATOM 744 CG GLU A 58 8.227 -20.031 -8.449 1.00 62.41 C ATOM 745 CD GLU A 58 7.951 -21.328 -7.712 1.00 43.50 C ATOM 746 OE1 GLU A 58 7.030 -22.061 -8.127 1.00 55.25 O ATOM 747 OE2 GLU A 58 8.656 -21.608 -6.720 1.00 61.44 O ATOM 0 H GLU A 58 9.718 -21.027 -12.112 1.00 14.01 H new ATOM 0 HA GLU A 58 7.143 -20.750 -10.709 1.00 20.23 H new ATOM 0 HB2 GLU A 58 9.566 -21.172 -9.667 1.00 74.42 H new ATOM 0 HB3 GLU A 58 9.717 -19.438 -9.865 1.00 74.42 H new ATOM 0 HG2 GLU A 58 8.793 -19.362 -7.801 1.00 62.41 H new ATOM 0 HG3 GLU A 58 7.282 -19.535 -8.671 1.00 62.41 H new ATOM 754 N SER A 59 8.839 -18.364 -12.229 1.00 75.13 N ATOM 755 CA SER A 59 8.730 -17.024 -12.793 1.00 12.42 C ATOM 756 C SER A 59 8.086 -17.066 -14.175 1.00 72.13 C ATOM 757 O SER A 59 7.942 -18.133 -14.773 1.00 3.13 O ATOM 758 CB SER A 59 10.111 -16.371 -12.881 1.00 13.12 C ATOM 759 OG SER A 59 10.874 -16.633 -11.716 1.00 14.54 O ATOM 0 H SER A 59 9.721 -18.835 -12.429 1.00 75.13 H new ATOM 0 HA SER A 59 8.096 -16.430 -12.134 1.00 12.42 H new ATOM 0 HB2 SER A 59 10.639 -16.746 -13.757 1.00 13.12 H new ATOM 0 HB3 SER A 59 10.000 -15.295 -13.013 1.00 13.12 H new ATOM 0 HG SER A 59 11.753 -16.207 -11.798 1.00 14.54 H new ATOM 765 N ARG A 60 7.700 -15.898 -14.677 1.00 53.34 N ATOM 766 CA ARG A 60 7.070 -15.800 -15.989 1.00 32.34 C ATOM 767 C ARG A 60 8.015 -15.157 -16.999 1.00 52.12 C ATOM 768 O ARG A 60 8.407 -13.999 -16.850 1.00 52.01 O ATOM 769 CB ARG A 60 5.775 -14.990 -15.897 1.00 63.21 C ATOM 770 CG ARG A 60 4.846 -15.451 -14.786 1.00 0.51 C ATOM 771 CD ARG A 60 4.261 -16.823 -15.082 1.00 2.25 C ATOM 772 NE ARG A 60 4.075 -17.612 -13.867 1.00 11.44 N ATOM 773 CZ ARG A 60 3.286 -18.678 -13.796 1.00 54.34 C ATOM 774 NH1 ARG A 60 2.613 -19.080 -14.866 1.00 22.42 N ATOM 775 NH2 ARG A 60 3.168 -19.344 -12.655 1.00 1.32 N ATOM 0 H ARG A 60 7.812 -15.006 -14.195 1.00 53.34 H new ATOM 0 HA ARG A 60 6.836 -16.809 -16.329 1.00 32.34 H new ATOM 0 HB2 ARG A 60 6.023 -13.940 -15.739 1.00 63.21 H new ATOM 0 HB3 ARG A 60 5.248 -15.053 -16.849 1.00 63.21 H new ATOM 0 HG2 ARG A 60 5.392 -15.483 -13.843 1.00 0.51 H new ATOM 0 HG3 ARG A 60 4.039 -14.729 -14.662 1.00 0.51 H new ATOM 0 HD2 ARG A 60 3.303 -16.707 -15.589 1.00 2.25 H new ATOM 0 HD3 ARG A 60 4.920 -17.359 -15.765 1.00 2.25 H new ATOM 0 HE ARG A 60 4.579 -17.329 -13.027 1.00 11.44 H new ATOM 0 HH11 ARG A 60 2.701 -18.570 -15.745 1.00 22.42 H new ATOM 0 HH12 ARG A 60 2.008 -19.899 -14.810 1.00 22.42 H new ATOM 0 HH21 ARG A 60 3.684 -19.038 -11.830 1.00 1.32 H new ATOM 0 HH22 ARG A 60 2.562 -20.162 -12.603 1.00 1.32 H new ATOM 789 N THR A 61 8.378 -15.916 -18.029 1.00 0.24 N ATOM 790 CA THR A 61 9.278 -15.421 -19.063 1.00 31.21 C ATOM 791 C THR A 61 8.575 -15.347 -20.414 1.00 22.14 C ATOM 792 O THR A 61 8.330 -16.369 -21.055 1.00 32.24 O ATOM 793 CB THR A 61 10.527 -16.313 -19.195 1.00 35.42 C ATOM 794 OG1 THR A 61 11.269 -15.948 -20.364 1.00 13.35 O ATOM 795 CG2 THR A 61 10.137 -17.782 -19.274 1.00 54.44 C ATOM 0 H THR A 61 8.062 -16.876 -18.169 1.00 0.24 H new ATOM 0 HA THR A 61 9.586 -14.420 -18.761 1.00 31.21 H new ATOM 0 HB THR A 61 11.147 -16.165 -18.311 1.00 35.42 H new ATOM 0 HG1 THR A 61 12.166 -16.341 -20.318 1.00 13.35 H new ATOM 0 HG21 THR A 61 11.035 -18.392 -19.367 1.00 54.44 H new ATOM 0 HG22 THR A 61 9.598 -18.065 -18.370 1.00 54.44 H new ATOM 0 HG23 THR A 61 9.498 -17.943 -20.142 1.00 54.44 H new ATOM 803 N LYS A 62 8.254 -14.131 -20.842 1.00 73.21 N ATOM 804 CA LYS A 62 7.580 -13.922 -22.118 1.00 65.45 C ATOM 805 C LYS A 62 8.161 -12.715 -22.849 1.00 31.53 C ATOM 806 O LYS A 62 8.758 -11.823 -22.246 1.00 64.41 O ATOM 807 CB LYS A 62 6.079 -13.726 -21.900 1.00 54.13 C ATOM 808 CG LYS A 62 5.747 -12.841 -20.711 1.00 23.43 C ATOM 809 CD LYS A 62 5.295 -13.662 -19.514 1.00 63.04 C ATOM 810 CE LYS A 62 3.779 -13.770 -19.453 1.00 44.41 C ATOM 811 NZ LYS A 62 3.302 -15.117 -19.870 1.00 74.00 N ATOM 0 H LYS A 62 8.450 -13.275 -20.324 1.00 73.21 H new ATOM 0 HA LYS A 62 7.738 -14.808 -22.733 1.00 65.45 H new ATOM 0 HB2 LYS A 62 5.644 -13.290 -22.799 1.00 54.13 H new ATOM 0 HB3 LYS A 62 5.611 -14.700 -21.759 1.00 54.13 H new ATOM 0 HG2 LYS A 62 6.623 -12.251 -20.439 1.00 23.43 H new ATOM 0 HG3 LYS A 62 4.962 -12.137 -20.988 1.00 23.43 H new ATOM 0 HD2 LYS A 62 5.730 -14.660 -19.571 1.00 63.04 H new ATOM 0 HD3 LYS A 62 5.665 -13.204 -18.597 1.00 63.04 H new ATOM 0 HE2 LYS A 62 3.441 -13.563 -18.438 1.00 44.41 H new ATOM 0 HE3 LYS A 62 3.335 -13.012 -20.098 1.00 44.41 H new ATOM 0 HZ1 LYS A 62 2.264 -15.150 -19.815 1.00 74.00 H new ATOM 0 HZ2 LYS A 62 3.603 -15.304 -20.848 1.00 74.00 H new ATOM 0 HZ3 LYS A 62 3.706 -15.839 -19.239 1.00 74.00 H new ATOM 825 N PRO A 63 7.981 -12.684 -24.178 1.00 2.05 N ATOM 826 CA PRO A 63 8.478 -11.590 -25.018 1.00 21.42 C ATOM 827 C PRO A 63 7.718 -10.289 -24.786 1.00 34.34 C ATOM 828 O PRO A 63 8.190 -9.211 -25.143 1.00 45.52 O ATOM 829 CB PRO A 63 8.242 -12.101 -26.441 1.00 74.33 C ATOM 830 CG PRO A 63 7.120 -13.073 -26.313 1.00 71.34 C ATOM 831 CD PRO A 63 7.279 -13.713 -24.962 1.00 34.21 C ATOM 0 HA PRO A 63 9.520 -11.352 -24.803 1.00 21.42 H new ATOM 0 HB2 PRO A 63 7.984 -11.286 -27.117 1.00 74.33 H new ATOM 0 HB3 PRO A 63 9.135 -12.578 -26.844 1.00 74.33 H new ATOM 0 HG2 PRO A 63 6.157 -12.570 -26.396 1.00 71.34 H new ATOM 0 HG3 PRO A 63 7.159 -13.820 -27.106 1.00 71.34 H new ATOM 0 HD2 PRO A 63 6.315 -13.966 -24.521 1.00 34.21 H new ATOM 0 HD3 PRO A 63 7.855 -14.637 -25.020 1.00 34.21 H new ATOM 839 N SER A 64 6.537 -10.398 -24.184 1.00 62.44 N ATOM 840 CA SER A 64 5.710 -9.230 -23.907 1.00 75.24 C ATOM 841 C SER A 64 6.499 -8.176 -23.137 1.00 55.32 C ATOM 842 O SER A 64 7.421 -8.498 -22.388 1.00 51.02 O ATOM 843 CB SER A 64 4.467 -9.636 -23.112 1.00 42.11 C ATOM 844 OG SER A 64 4.031 -10.934 -23.475 1.00 74.24 O ATOM 0 H SER A 64 6.132 -11.283 -23.879 1.00 62.44 H new ATOM 0 HA SER A 64 5.399 -8.801 -24.860 1.00 75.24 H new ATOM 0 HB2 SER A 64 4.689 -9.609 -22.045 1.00 42.11 H new ATOM 0 HB3 SER A 64 3.667 -8.917 -23.290 1.00 42.11 H new ATOM 0 HG SER A 64 3.237 -11.171 -22.952 1.00 74.24 H new ATOM 850 N VAL A 65 6.129 -6.913 -23.327 1.00 73.10 N ATOM 851 CA VAL A 65 6.800 -5.810 -22.650 1.00 51.12 C ATOM 852 C VAL A 65 5.932 -5.240 -21.534 1.00 33.21 C ATOM 853 O VAL A 65 4.704 -5.245 -21.624 1.00 32.22 O ATOM 854 CB VAL A 65 7.156 -4.681 -23.635 1.00 45.23 C ATOM 855 CG1 VAL A 65 8.238 -5.137 -24.602 1.00 60.54 C ATOM 856 CG2 VAL A 65 5.917 -4.219 -24.387 1.00 63.44 C ATOM 0 H VAL A 65 5.368 -6.629 -23.944 1.00 73.10 H new ATOM 0 HA VAL A 65 7.718 -6.213 -22.222 1.00 51.12 H new ATOM 0 HB VAL A 65 7.544 -3.836 -23.066 1.00 45.23 H new ATOM 0 HG11 VAL A 65 8.476 -4.326 -25.290 1.00 60.54 H new ATOM 0 HG12 VAL A 65 9.132 -5.413 -24.043 1.00 60.54 H new ATOM 0 HG13 VAL A 65 7.882 -5.999 -25.166 1.00 60.54 H new ATOM 0 HG21 VAL A 65 6.188 -3.421 -25.078 1.00 63.44 H new ATOM 0 HG22 VAL A 65 5.497 -5.056 -24.945 1.00 63.44 H new ATOM 0 HG23 VAL A 65 5.177 -3.849 -23.677 1.00 63.44 H new ATOM 866 N PHE A 66 6.578 -4.749 -20.482 1.00 13.23 N ATOM 867 CA PHE A 66 5.865 -4.175 -19.346 1.00 73.23 C ATOM 868 C PHE A 66 5.983 -2.654 -19.342 1.00 41.10 C ATOM 869 O PHE A 66 7.077 -2.105 -19.472 1.00 2.44 O ATOM 870 CB PHE A 66 6.409 -4.744 -18.035 1.00 25.14 C ATOM 871 CG PHE A 66 6.572 -6.237 -18.051 1.00 22.25 C ATOM 872 CD1 PHE A 66 7.820 -6.813 -17.877 1.00 63.21 C ATOM 873 CD2 PHE A 66 5.477 -7.065 -18.240 1.00 10.45 C ATOM 874 CE1 PHE A 66 7.973 -8.187 -17.891 1.00 5.12 C ATOM 875 CE2 PHE A 66 5.624 -8.439 -18.254 1.00 10.22 C ATOM 876 CZ PHE A 66 6.874 -9.001 -18.080 1.00 52.45 C ATOM 0 H PHE A 66 7.594 -4.737 -20.392 1.00 13.23 H new ATOM 0 HA PHE A 66 4.812 -4.439 -19.439 1.00 73.23 H new ATOM 0 HB2 PHE A 66 7.374 -4.284 -17.821 1.00 25.14 H new ATOM 0 HB3 PHE A 66 5.737 -4.469 -17.222 1.00 25.14 H new ATOM 0 HD1 PHE A 66 8.683 -6.181 -17.729 1.00 63.21 H new ATOM 0 HD2 PHE A 66 4.497 -6.632 -18.378 1.00 10.45 H new ATOM 0 HE1 PHE A 66 8.951 -8.623 -17.754 1.00 5.12 H new ATOM 0 HE2 PHE A 66 4.762 -9.073 -18.401 1.00 10.22 H new ATOM 0 HZ PHE A 66 6.991 -10.075 -18.092 1.00 52.45 H new ATOM 886 N VAL A 67 4.848 -1.978 -19.193 1.00 20.33 N ATOM 887 CA VAL A 67 4.823 -0.521 -19.171 1.00 1.32 C ATOM 888 C VAL A 67 4.070 -0.002 -17.951 1.00 22.22 C ATOM 889 O VAL A 67 3.045 -0.559 -17.557 1.00 63.22 O ATOM 890 CB VAL A 67 4.169 0.049 -20.444 1.00 23.40 C ATOM 891 CG1 VAL A 67 4.979 -0.329 -21.675 1.00 21.31 C ATOM 892 CG2 VAL A 67 2.734 -0.440 -20.569 1.00 41.34 C ATOM 0 H VAL A 67 3.934 -2.417 -19.086 1.00 20.33 H new ATOM 0 HA VAL A 67 5.860 -0.188 -19.123 1.00 1.32 H new ATOM 0 HB VAL A 67 4.153 1.136 -20.369 1.00 23.40 H new ATOM 0 HG11 VAL A 67 4.502 0.082 -22.565 1.00 21.31 H new ATOM 0 HG12 VAL A 67 5.988 0.074 -21.585 1.00 21.31 H new ATOM 0 HG13 VAL A 67 5.028 -1.415 -21.759 1.00 21.31 H new ATOM 0 HG21 VAL A 67 2.287 -0.028 -21.474 1.00 41.34 H new ATOM 0 HG22 VAL A 67 2.724 -1.529 -20.623 1.00 41.34 H new ATOM 0 HG23 VAL A 67 2.162 -0.114 -19.700 1.00 41.34 H new ATOM 902 N VAL A 68 4.585 1.069 -17.355 1.00 64.15 N ATOM 903 CA VAL A 68 3.961 1.665 -16.180 1.00 61.23 C ATOM 904 C VAL A 68 3.611 3.128 -16.426 1.00 40.04 C ATOM 905 O VAL A 68 4.491 3.958 -16.657 1.00 71.21 O ATOM 906 CB VAL A 68 4.879 1.568 -14.947 1.00 42.34 C ATOM 907 CG1 VAL A 68 4.147 2.034 -13.698 1.00 51.43 C ATOM 908 CG2 VAL A 68 5.392 0.147 -14.775 1.00 61.55 C ATOM 0 H VAL A 68 5.433 1.542 -17.667 1.00 64.15 H new ATOM 0 HA VAL A 68 3.047 1.103 -15.988 1.00 61.23 H new ATOM 0 HB VAL A 68 5.736 2.223 -15.102 1.00 42.34 H new ATOM 0 HG11 VAL A 68 4.811 1.958 -12.837 1.00 51.43 H new ATOM 0 HG12 VAL A 68 3.834 3.070 -13.825 1.00 51.43 H new ATOM 0 HG13 VAL A 68 3.270 1.408 -13.535 1.00 51.43 H new ATOM 0 HG21 VAL A 68 6.039 0.097 -13.899 1.00 61.55 H new ATOM 0 HG22 VAL A 68 4.549 -0.531 -14.642 1.00 61.55 H new ATOM 0 HG23 VAL A 68 5.957 -0.146 -15.660 1.00 61.55 H new ATOM 918 N PHE A 69 2.320 3.438 -16.375 1.00 51.42 N ATOM 919 CA PHE A 69 1.852 4.802 -16.593 1.00 43.41 C ATOM 920 C PHE A 69 1.953 5.623 -15.311 1.00 14.14 C ATOM 921 O PHE A 69 1.814 5.093 -14.209 1.00 72.44 O ATOM 922 CB PHE A 69 0.407 4.795 -17.095 1.00 60.43 C ATOM 923 CG PHE A 69 0.244 4.153 -18.444 1.00 4.04 C ATOM 924 CD1 PHE A 69 0.096 4.929 -19.581 1.00 52.35 C ATOM 925 CD2 PHE A 69 0.239 2.773 -18.573 1.00 5.51 C ATOM 926 CE1 PHE A 69 -0.054 4.342 -20.824 1.00 2.21 C ATOM 927 CE2 PHE A 69 0.091 2.181 -19.812 1.00 72.35 C ATOM 928 CZ PHE A 69 -0.057 2.966 -20.939 1.00 73.12 C ATOM 0 H PHE A 69 1.579 2.763 -16.185 1.00 51.42 H new ATOM 0 HA PHE A 69 2.489 5.261 -17.349 1.00 43.41 H new ATOM 0 HB2 PHE A 69 -0.217 4.269 -16.373 1.00 60.43 H new ATOM 0 HB3 PHE A 69 0.043 5.821 -17.143 1.00 60.43 H new ATOM 0 HD1 PHE A 69 0.098 6.006 -19.496 1.00 52.35 H new ATOM 0 HD2 PHE A 69 0.352 2.154 -17.695 1.00 5.51 H new ATOM 0 HE1 PHE A 69 -0.169 4.959 -21.703 1.00 2.21 H new ATOM 0 HE2 PHE A 69 0.091 1.105 -19.900 1.00 72.35 H new ATOM 0 HZ PHE A 69 -0.175 2.504 -21.908 1.00 73.12 H new ATOM 938 N ASN A 70 2.195 6.921 -15.463 1.00 63.11 N ATOM 939 CA ASN A 70 2.316 7.816 -14.318 1.00 34.33 C ATOM 940 C ASN A 70 0.947 8.331 -13.884 1.00 33.23 C ATOM 941 O ASN A 70 0.623 8.338 -12.696 1.00 73.02 O ATOM 942 CB ASN A 70 3.232 8.993 -14.658 1.00 54.10 C ATOM 943 CG ASN A 70 3.142 10.110 -13.636 1.00 32.32 C ATOM 944 OD1 ASN A 70 2.206 10.910 -13.655 1.00 24.24 O ATOM 945 ND2 ASN A 70 4.118 10.168 -12.737 1.00 15.52 N ATOM 0 H ASN A 70 2.311 7.377 -16.368 1.00 63.11 H new ATOM 0 HA ASN A 70 2.752 7.253 -13.493 1.00 34.33 H new ATOM 0 HB2 ASN A 70 4.262 8.642 -14.719 1.00 54.10 H new ATOM 0 HB3 ASN A 70 2.969 9.382 -15.642 1.00 54.10 H new ATOM 0 HD21 ASN A 70 4.112 10.897 -12.024 1.00 15.52 H new ATOM 0 HD22 ASN A 70 4.874 9.483 -12.760 1.00 15.52 H new ATOM 952 N SER A 71 0.147 8.761 -14.855 1.00 21.43 N ATOM 953 CA SER A 71 -1.186 9.281 -14.573 1.00 61.52 C ATOM 954 C SER A 71 -2.172 8.143 -14.326 1.00 23.30 C ATOM 955 O SER A 71 -2.264 7.204 -15.117 1.00 14.01 O ATOM 956 CB SER A 71 -1.673 10.149 -15.734 1.00 51.44 C ATOM 957 OG SER A 71 -0.918 11.345 -15.828 1.00 71.15 O ATOM 0 H SER A 71 0.399 8.759 -15.843 1.00 21.43 H new ATOM 0 HA SER A 71 -1.128 9.891 -13.671 1.00 61.52 H new ATOM 0 HB2 SER A 71 -1.594 9.591 -16.667 1.00 51.44 H new ATOM 0 HB3 SER A 71 -2.727 10.390 -15.595 1.00 51.44 H new ATOM 0 HG SER A 71 -1.248 11.882 -16.579 1.00 71.15 H new ATOM 963 N SER A 72 -2.906 8.234 -13.222 1.00 55.11 N ATOM 964 CA SER A 72 -3.883 7.211 -12.867 1.00 53.31 C ATOM 965 C SER A 72 -4.958 7.090 -13.943 1.00 70.32 C ATOM 966 O SER A 72 -5.260 5.993 -14.412 1.00 61.10 O ATOM 967 CB SER A 72 -4.529 7.539 -11.520 1.00 34.24 C ATOM 968 OG SER A 72 -5.202 8.785 -11.566 1.00 52.22 O ATOM 0 H SER A 72 -2.843 9.005 -12.558 1.00 55.11 H new ATOM 0 HA SER A 72 -3.362 6.257 -12.790 1.00 53.31 H new ATOM 0 HB2 SER A 72 -5.233 6.752 -11.250 1.00 34.24 H new ATOM 0 HB3 SER A 72 -3.765 7.564 -10.743 1.00 34.24 H new ATOM 0 HG SER A 72 -5.608 8.970 -10.693 1.00 52.22 H new ATOM 974 N GLU A 73 -5.531 8.225 -14.329 1.00 15.31 N ATOM 975 CA GLU A 73 -6.573 8.246 -15.349 1.00 13.20 C ATOM 976 C GLU A 73 -6.082 7.600 -16.641 1.00 53.44 C ATOM 977 O GLU A 73 -6.667 6.630 -17.123 1.00 5.40 O ATOM 978 CB GLU A 73 -7.022 9.683 -15.622 1.00 43.43 C ATOM 979 CG GLU A 73 -8.250 9.779 -16.511 1.00 15.01 C ATOM 980 CD GLU A 73 -9.385 10.543 -15.857 1.00 34.11 C ATOM 981 OE1 GLU A 73 -10.028 9.983 -14.944 1.00 21.11 O ATOM 982 OE2 GLU A 73 -9.631 11.700 -16.258 1.00 33.44 O ATOM 0 H GLU A 73 -5.292 9.142 -13.951 1.00 15.31 H new ATOM 0 HA GLU A 73 -7.422 7.673 -14.977 1.00 13.20 H new ATOM 0 HB2 GLU A 73 -7.232 10.176 -14.673 1.00 43.43 H new ATOM 0 HB3 GLU A 73 -6.202 10.228 -16.089 1.00 43.43 H new ATOM 0 HG2 GLU A 73 -7.979 10.268 -17.447 1.00 15.01 H new ATOM 0 HG3 GLU A 73 -8.591 8.775 -16.763 1.00 15.01 H new ATOM 989 N GLU A 74 -5.005 8.147 -17.197 1.00 74.12 N ATOM 990 CA GLU A 74 -4.437 7.625 -18.434 1.00 61.14 C ATOM 991 C GLU A 74 -4.047 6.158 -18.277 1.00 44.05 C ATOM 992 O GLU A 74 -4.141 5.375 -19.222 1.00 40.23 O ATOM 993 CB GLU A 74 -3.215 8.448 -18.847 1.00 63.22 C ATOM 994 CG GLU A 74 -3.136 8.713 -20.341 1.00 52.52 C ATOM 995 CD GLU A 74 -3.640 10.094 -20.716 1.00 31.25 C ATOM 996 OE1 GLU A 74 -3.090 10.688 -21.667 1.00 32.42 O ATOM 997 OE2 GLU A 74 -4.583 10.580 -20.058 1.00 14.33 O ATOM 0 H GLU A 74 -4.509 8.950 -16.811 1.00 74.12 H new ATOM 0 HA GLU A 74 -5.196 7.700 -19.213 1.00 61.14 H new ATOM 0 HB2 GLU A 74 -3.234 9.401 -18.318 1.00 63.22 H new ATOM 0 HB3 GLU A 74 -2.312 7.926 -18.531 1.00 63.22 H new ATOM 0 HG2 GLU A 74 -2.103 8.605 -20.671 1.00 52.52 H new ATOM 0 HG3 GLU A 74 -3.720 7.961 -20.871 1.00 52.52 H new ATOM 1004 N ALA A 75 -3.607 5.794 -17.077 1.00 74.12 N ATOM 1005 CA ALA A 75 -3.204 4.422 -16.795 1.00 71.12 C ATOM 1006 C ALA A 75 -4.370 3.457 -16.985 1.00 4.13 C ATOM 1007 O ALA A 75 -4.252 2.459 -17.695 1.00 45.53 O ATOM 1008 CB ALA A 75 -2.652 4.314 -15.382 1.00 3.14 C ATOM 0 H ALA A 75 -3.521 6.430 -16.285 1.00 74.12 H new ATOM 0 HA ALA A 75 -2.420 4.147 -17.501 1.00 71.12 H new ATOM 0 HB1 ALA A 75 -2.355 3.284 -15.185 1.00 3.14 H new ATOM 0 HB2 ALA A 75 -1.786 4.967 -15.279 1.00 3.14 H new ATOM 0 HB3 ALA A 75 -3.419 4.613 -14.668 1.00 3.14 H new ATOM 1014 N GLU A 76 -5.494 3.761 -16.344 1.00 0.31 N ATOM 1015 CA GLU A 76 -6.680 2.919 -16.442 1.00 31.23 C ATOM 1016 C GLU A 76 -7.220 2.904 -17.869 1.00 34.42 C ATOM 1017 O GLU A 76 -7.663 1.868 -18.365 1.00 52.21 O ATOM 1018 CB GLU A 76 -7.763 3.411 -15.480 1.00 14.12 C ATOM 1019 CG GLU A 76 -7.948 2.520 -14.263 1.00 24.00 C ATOM 1020 CD GLU A 76 -9.318 1.873 -14.216 1.00 31.21 C ATOM 1021 OE1 GLU A 76 -10.257 2.510 -13.694 1.00 41.44 O ATOM 1022 OE2 GLU A 76 -9.452 0.730 -14.700 1.00 20.41 O ATOM 0 H GLU A 76 -5.608 4.584 -15.752 1.00 0.31 H new ATOM 0 HA GLU A 76 -6.396 1.903 -16.169 1.00 31.23 H new ATOM 0 HB2 GLU A 76 -7.511 4.418 -15.147 1.00 14.12 H new ATOM 0 HB3 GLU A 76 -8.709 3.480 -16.016 1.00 14.12 H new ATOM 0 HG2 GLU A 76 -7.183 1.743 -14.267 1.00 24.00 H new ATOM 0 HG3 GLU A 76 -7.798 3.110 -13.359 1.00 24.00 H new ATOM 1029 N ALA A 77 -7.181 4.060 -18.523 1.00 2.05 N ATOM 1030 CA ALA A 77 -7.665 4.180 -19.892 1.00 45.22 C ATOM 1031 C ALA A 77 -6.905 3.245 -20.827 1.00 3.11 C ATOM 1032 O ALA A 77 -7.507 2.492 -21.592 1.00 50.25 O ATOM 1033 CB ALA A 77 -7.544 5.620 -20.370 1.00 60.32 C ATOM 0 H ALA A 77 -6.819 4.927 -18.126 1.00 2.05 H new ATOM 0 HA ALA A 77 -8.716 3.891 -19.906 1.00 45.22 H new ATOM 0 HB1 ALA A 77 -7.909 5.695 -21.394 1.00 60.32 H new ATOM 0 HB2 ALA A 77 -8.137 6.269 -19.725 1.00 60.32 H new ATOM 0 HB3 ALA A 77 -6.499 5.929 -20.334 1.00 60.32 H new ATOM 1039 N PHE A 78 -5.579 3.298 -20.760 1.00 5.42 N ATOM 1040 CA PHE A 78 -4.736 2.457 -21.602 1.00 31.03 C ATOM 1041 C PHE A 78 -4.897 0.985 -21.234 1.00 34.11 C ATOM 1042 O PHE A 78 -4.888 0.113 -22.103 1.00 1.42 O ATOM 1043 CB PHE A 78 -3.269 2.870 -21.467 1.00 10.23 C ATOM 1044 CG PHE A 78 -2.811 3.815 -22.541 1.00 12.24 C ATOM 1045 CD1 PHE A 78 -2.034 3.363 -23.595 1.00 31.13 C ATOM 1046 CD2 PHE A 78 -3.157 5.156 -22.496 1.00 15.15 C ATOM 1047 CE1 PHE A 78 -1.611 4.230 -24.585 1.00 34.22 C ATOM 1048 CE2 PHE A 78 -2.738 6.028 -23.483 1.00 31.51 C ATOM 1049 CZ PHE A 78 -1.963 5.564 -24.528 1.00 51.21 C ATOM 0 H PHE A 78 -5.065 3.915 -20.131 1.00 5.42 H new ATOM 0 HA PHE A 78 -5.050 2.592 -22.637 1.00 31.03 H new ATOM 0 HB2 PHE A 78 -3.120 3.338 -20.494 1.00 10.23 H new ATOM 0 HB3 PHE A 78 -2.645 1.977 -21.490 1.00 10.23 H new ATOM 0 HD1 PHE A 78 -1.755 2.321 -23.644 1.00 31.13 H new ATOM 0 HD2 PHE A 78 -3.761 5.524 -21.680 1.00 15.15 H new ATOM 0 HE1 PHE A 78 -1.006 3.865 -25.402 1.00 34.22 H new ATOM 0 HE2 PHE A 78 -3.016 7.071 -23.437 1.00 31.51 H new ATOM 0 HZ PHE A 78 -1.633 6.244 -25.300 1.00 51.21 H new ATOM 1059 N GLN A 79 -5.045 0.717 -19.940 1.00 43.05 N ATOM 1060 CA GLN A 79 -5.207 -0.649 -19.457 1.00 63.24 C ATOM 1061 C GLN A 79 -6.448 -1.297 -20.062 1.00 14.44 C ATOM 1062 O GLN A 79 -6.411 -2.445 -20.503 1.00 64.23 O ATOM 1063 CB GLN A 79 -5.300 -0.665 -17.931 1.00 34.03 C ATOM 1064 CG GLN A 79 -4.600 -1.853 -17.291 1.00 14.15 C ATOM 1065 CD GLN A 79 -4.740 -1.868 -15.781 1.00 63.30 C ATOM 1066 OE1 GLN A 79 -5.558 -2.605 -15.229 1.00 43.11 O ATOM 1067 NE2 GLN A 79 -3.939 -1.053 -15.104 1.00 34.20 N ATOM 0 H GLN A 79 -5.056 1.427 -19.208 1.00 43.05 H new ATOM 0 HA GLN A 79 -4.333 -1.223 -19.766 1.00 63.24 H new ATOM 0 HB2 GLN A 79 -4.867 0.255 -17.539 1.00 34.03 H new ATOM 0 HB3 GLN A 79 -6.350 -0.672 -17.639 1.00 34.03 H new ATOM 0 HG2 GLN A 79 -5.012 -2.776 -17.700 1.00 14.15 H new ATOM 0 HG3 GLN A 79 -3.542 -1.832 -17.554 1.00 14.15 H new ATOM 0 HE21 GLN A 79 -3.276 -0.460 -15.602 1.00 34.20 H new ATOM 0 HE22 GLN A 79 -3.987 -1.021 -14.086 1.00 34.20 H new ATOM 1076 N LYS A 80 -7.549 -0.552 -20.078 1.00 31.54 N ATOM 1077 CA LYS A 80 -8.803 -1.052 -20.628 1.00 73.41 C ATOM 1078 C LYS A 80 -8.625 -1.488 -22.079 1.00 53.11 C ATOM 1079 O LYS A 80 -8.707 -2.674 -22.395 1.00 70.43 O ATOM 1080 CB LYS A 80 -9.889 0.023 -20.537 1.00 23.53 C ATOM 1081 CG LYS A 80 -11.262 -0.461 -20.970 1.00 43.05 C ATOM 1082 CD LYS A 80 -12.269 0.676 -21.003 1.00 42.42 C ATOM 1083 CE LYS A 80 -12.702 0.997 -22.426 1.00 21.43 C ATOM 1084 NZ LYS A 80 -13.924 1.847 -22.455 1.00 70.12 N ATOM 0 H LYS A 80 -7.598 0.400 -19.716 1.00 31.54 H new ATOM 0 HA LYS A 80 -9.108 -1.918 -20.041 1.00 73.41 H new ATOM 0 HB2 LYS A 80 -9.947 0.383 -19.510 1.00 23.53 H new ATOM 0 HB3 LYS A 80 -9.600 0.872 -21.156 1.00 23.53 H new ATOM 0 HG2 LYS A 80 -11.193 -0.916 -21.958 1.00 43.05 H new ATOM 0 HG3 LYS A 80 -11.608 -1.235 -20.286 1.00 43.05 H new ATOM 0 HD2 LYS A 80 -13.142 0.408 -20.408 1.00 42.42 H new ATOM 0 HD3 LYS A 80 -11.832 1.564 -20.546 1.00 42.42 H new ATOM 0 HE2 LYS A 80 -11.892 1.508 -22.946 1.00 21.43 H new ATOM 0 HE3 LYS A 80 -12.892 0.069 -22.966 1.00 21.43 H new ATOM 0 HZ1 LYS A 80 -14.187 2.044 -23.442 1.00 70.12 H new ATOM 0 HZ2 LYS A 80 -14.705 1.349 -21.981 1.00 70.12 H new ATOM 0 HZ3 LYS A 80 -13.735 2.743 -21.962 1.00 70.12 H new ATOM 1098 N ALA A 81 -8.380 -0.520 -22.957 1.00 33.53 N ATOM 1099 CA ALA A 81 -8.187 -0.805 -24.373 1.00 51.12 C ATOM 1100 C ALA A 81 -6.862 -0.239 -24.871 1.00 43.31 C ATOM 1101 O ALA A 81 -6.270 0.650 -24.259 1.00 2.50 O ATOM 1102 CB ALA A 81 -9.343 -0.242 -25.187 1.00 42.20 C ATOM 0 H ALA A 81 -8.311 0.468 -22.712 1.00 33.53 H new ATOM 0 HA ALA A 81 -8.161 -1.887 -24.500 1.00 51.12 H new ATOM 0 HB1 ALA A 81 -9.186 -0.462 -26.243 1.00 42.20 H new ATOM 0 HB2 ALA A 81 -10.277 -0.697 -24.856 1.00 42.20 H new ATOM 0 HB3 ALA A 81 -9.396 0.837 -25.045 1.00 42.20 H new ATOM 1108 N PRO A 82 -6.382 -0.765 -26.008 1.00 53.20 N ATOM 1109 CA PRO A 82 -5.121 -0.326 -26.613 1.00 31.50 C ATOM 1110 C PRO A 82 -5.213 1.083 -27.189 1.00 31.44 C ATOM 1111 O PRO A 82 -6.296 1.652 -27.330 1.00 25.11 O ATOM 1112 CB PRO A 82 -4.890 -1.347 -27.731 1.00 13.44 C ATOM 1113 CG PRO A 82 -6.251 -1.847 -28.074 1.00 10.22 C ATOM 1114 CD PRO A 82 -7.035 -1.828 -26.791 1.00 10.42 C ATOM 0 HA PRO A 82 -4.313 -0.282 -25.883 1.00 31.50 H new ATOM 0 HB2 PRO A 82 -4.408 -0.887 -28.594 1.00 13.44 H new ATOM 0 HB3 PRO A 82 -4.242 -2.158 -27.399 1.00 13.44 H new ATOM 0 HG2 PRO A 82 -6.721 -1.215 -28.828 1.00 10.22 H new ATOM 0 HG3 PRO A 82 -6.204 -2.854 -28.488 1.00 10.22 H new ATOM 0 HD2 PRO A 82 -8.088 -1.608 -26.967 1.00 10.42 H new ATOM 0 HD3 PRO A 82 -6.991 -2.789 -26.279 1.00 10.42 H new ATOM 1122 N PRO A 83 -4.052 1.660 -27.530 1.00 3.32 N ATOM 1123 CA PRO A 83 -3.975 3.010 -28.097 1.00 34.02 C ATOM 1124 C PRO A 83 -4.537 3.077 -29.513 1.00 33.43 C ATOM 1125 O PRO A 83 -5.101 4.092 -29.920 1.00 31.05 O ATOM 1126 CB PRO A 83 -2.474 3.308 -28.103 1.00 20.13 C ATOM 1127 CG PRO A 83 -1.822 1.969 -28.154 1.00 53.24 C ATOM 1128 CD PRO A 83 -2.724 1.040 -27.389 1.00 45.20 C ATOM 0 HA PRO A 83 -4.563 3.727 -27.524 1.00 34.02 H new ATOM 0 HB2 PRO A 83 -2.195 3.917 -28.963 1.00 20.13 H new ATOM 0 HB3 PRO A 83 -2.176 3.860 -27.211 1.00 20.13 H new ATOM 0 HG2 PRO A 83 -1.699 1.634 -29.184 1.00 53.24 H new ATOM 0 HG3 PRO A 83 -0.828 2.002 -27.709 1.00 53.24 H new ATOM 0 HD2 PRO A 83 -2.706 0.032 -27.802 1.00 45.20 H new ATOM 0 HD3 PRO A 83 -2.426 0.962 -26.343 1.00 45.20 H new ATOM 1136 N MET A 84 -4.380 1.988 -30.259 1.00 21.14 N ATOM 1137 CA MET A 84 -4.874 1.923 -31.629 1.00 43.33 C ATOM 1138 C MET A 84 -4.194 2.973 -32.502 1.00 41.32 C ATOM 1139 O MET A 84 -4.633 4.122 -32.563 1.00 43.13 O ATOM 1140 CB MET A 84 -6.390 2.124 -31.658 1.00 32.33 C ATOM 1141 CG MET A 84 -7.159 0.886 -32.092 1.00 3.12 C ATOM 1142 SD MET A 84 -8.188 1.181 -33.542 1.00 51.05 S ATOM 1143 CE MET A 84 -8.184 -0.444 -34.297 1.00 1.44 C ATOM 0 H MET A 84 -3.915 1.139 -29.938 1.00 21.14 H new ATOM 0 HA MET A 84 -4.638 0.936 -32.027 1.00 43.33 H new ATOM 0 HB2 MET A 84 -6.728 2.422 -30.665 1.00 32.33 H new ATOM 0 HB3 MET A 84 -6.627 2.945 -32.335 1.00 32.33 H new ATOM 0 HG2 MET A 84 -6.455 0.083 -32.308 1.00 3.12 H new ATOM 0 HG3 MET A 84 -7.787 0.546 -31.269 1.00 3.12 H new ATOM 0 HE1 MET A 84 -8.781 -0.423 -35.209 1.00 1.44 H new ATOM 0 HE2 MET A 84 -7.161 -0.730 -34.540 1.00 1.44 H new ATOM 0 HE3 MET A 84 -8.608 -1.169 -33.602 1.00 1.44 H new ATOM 1153 N TYR A 85 -3.121 2.572 -33.175 1.00 54.13 N ATOM 1154 CA TYR A 85 -2.380 3.480 -34.043 1.00 24.35 C ATOM 1155 C TYR A 85 -2.378 2.977 -35.483 1.00 54.41 C ATOM 1156 O TYR A 85 -2.006 1.836 -35.754 1.00 31.40 O ATOM 1157 CB TYR A 85 -0.942 3.635 -33.543 1.00 70.45 C ATOM 1158 CG TYR A 85 -0.517 5.074 -33.357 1.00 73.35 C ATOM 1159 CD1 TYR A 85 0.130 5.483 -32.198 1.00 41.01 C ATOM 1160 CD2 TYR A 85 -0.764 6.024 -34.340 1.00 53.31 C ATOM 1161 CE1 TYR A 85 0.519 6.797 -32.023 1.00 64.03 C ATOM 1162 CE2 TYR A 85 -0.377 7.340 -34.175 1.00 32.04 C ATOM 1163 CZ TYR A 85 0.264 7.721 -33.014 1.00 50.55 C ATOM 1164 OH TYR A 85 0.650 9.031 -32.845 1.00 52.51 O ATOM 0 H TYR A 85 -2.745 1.625 -33.136 1.00 54.13 H new ATOM 0 HA TYR A 85 -2.874 4.451 -34.018 1.00 24.35 H new ATOM 0 HB2 TYR A 85 -0.837 3.109 -32.594 1.00 70.45 H new ATOM 0 HB3 TYR A 85 -0.266 3.154 -34.250 1.00 70.45 H new ATOM 0 HD1 TYR A 85 0.332 4.761 -31.420 1.00 41.01 H new ATOM 0 HD2 TYR A 85 -1.267 5.729 -35.249 1.00 53.31 H new ATOM 0 HE1 TYR A 85 1.020 7.099 -31.115 1.00 64.03 H new ATOM 0 HE2 TYR A 85 -0.575 8.066 -34.950 1.00 32.04 H new ATOM 0 HH TYR A 85 0.397 9.551 -33.636 1.00 52.51 H new ATOM 1174 N ASP A 86 -2.797 3.839 -36.403 1.00 51.13 N ATOM 1175 CA ASP A 86 -2.843 3.485 -37.817 1.00 54.33 C ATOM 1176 C ASP A 86 -1.486 2.978 -38.295 1.00 54.33 C ATOM 1177 O ASP A 86 -1.402 1.974 -39.002 1.00 62.04 O ATOM 1178 CB ASP A 86 -3.274 4.692 -38.653 1.00 33.40 C ATOM 1179 CG ASP A 86 -4.393 4.356 -39.620 1.00 10.53 C ATOM 1180 OD1 ASP A 86 -4.156 3.552 -40.546 1.00 14.43 O ATOM 1181 OD2 ASP A 86 -5.505 4.897 -39.450 1.00 14.53 O ATOM 0 H ASP A 86 -3.110 4.787 -36.195 1.00 51.13 H new ATOM 0 HA ASP A 86 -3.574 2.686 -37.943 1.00 54.33 H new ATOM 0 HB2 ASP A 86 -3.600 5.493 -37.989 1.00 33.40 H new ATOM 0 HB3 ASP A 86 -2.417 5.069 -39.211 1.00 33.40 H new ATOM 1186 N ASP A 87 -0.428 3.680 -37.906 1.00 22.13 N ATOM 1187 CA ASP A 87 0.926 3.301 -38.294 1.00 52.23 C ATOM 1188 C ASP A 87 1.200 1.840 -37.953 1.00 62.23 C ATOM 1189 O ASP A 87 1.464 1.024 -38.837 1.00 3.22 O ATOM 1190 CB ASP A 87 1.949 4.201 -37.600 1.00 23.23 C ATOM 1191 CG ASP A 87 2.935 4.815 -38.574 1.00 2.43 C ATOM 1192 OD1 ASP A 87 4.127 4.930 -38.219 1.00 2.44 O ATOM 1193 OD2 ASP A 87 2.515 5.181 -39.691 1.00 60.43 O ATOM 0 H ASP A 87 -0.481 4.515 -37.322 1.00 22.13 H new ATOM 0 HA ASP A 87 1.017 3.426 -39.373 1.00 52.23 H new ATOM 0 HB2 ASP A 87 1.427 4.995 -37.067 1.00 23.23 H new ATOM 0 HB3 ASP A 87 2.493 3.621 -36.855 1.00 23.23 H new ATOM 1198 N VAL A 88 1.137 1.516 -36.666 1.00 20.14 N ATOM 1199 CA VAL A 88 1.379 0.153 -36.207 1.00 54.03 C ATOM 1200 C VAL A 88 0.279 -0.311 -35.259 1.00 11.11 C ATOM 1201 O VAL A 88 -0.065 0.386 -34.305 1.00 33.13 O ATOM 1202 CB VAL A 88 2.739 0.033 -35.496 1.00 4.12 C ATOM 1203 CG1 VAL A 88 3.038 -1.419 -35.155 1.00 13.02 C ATOM 1204 CG2 VAL A 88 3.845 0.625 -36.357 1.00 74.14 C ATOM 0 H VAL A 88 0.920 2.179 -35.922 1.00 20.14 H new ATOM 0 HA VAL A 88 1.384 -0.483 -37.092 1.00 54.03 H new ATOM 0 HB VAL A 88 2.693 0.598 -34.565 1.00 4.12 H new ATOM 0 HG11 VAL A 88 4.003 -1.483 -34.653 1.00 13.02 H new ATOM 0 HG12 VAL A 88 2.260 -1.806 -34.497 1.00 13.02 H new ATOM 0 HG13 VAL A 88 3.065 -2.010 -36.071 1.00 13.02 H new ATOM 0 HG21 VAL A 88 4.799 0.531 -35.839 1.00 74.14 H new ATOM 0 HG22 VAL A 88 3.893 0.090 -37.306 1.00 74.14 H new ATOM 0 HG23 VAL A 88 3.636 1.678 -36.545 1.00 74.14 H new ATOM 1214 N GLN A 89 -0.268 -1.492 -35.528 1.00 41.03 N ATOM 1215 CA GLN A 89 -1.329 -2.049 -34.698 1.00 54.03 C ATOM 1216 C GLN A 89 -0.812 -2.379 -33.302 1.00 13.41 C ATOM 1217 O GLN A 89 0.107 -3.183 -33.143 1.00 32.04 O ATOM 1218 CB GLN A 89 -1.909 -3.305 -35.350 1.00 72.51 C ATOM 1219 CG GLN A 89 -3.421 -3.270 -35.502 1.00 14.42 C ATOM 1220 CD GLN A 89 -3.988 -4.579 -36.015 1.00 4.02 C ATOM 1221 OE1 GLN A 89 -3.244 -5.500 -36.355 1.00 2.43 O ATOM 1222 NE2 GLN A 89 -5.311 -4.669 -36.074 1.00 32.35 N ATOM 0 H GLN A 89 0.006 -2.081 -36.314 1.00 41.03 H new ATOM 0 HA GLN A 89 -2.115 -1.300 -34.606 1.00 54.03 H new ATOM 0 HB2 GLN A 89 -1.457 -3.436 -36.333 1.00 72.51 H new ATOM 0 HB3 GLN A 89 -1.632 -4.174 -34.754 1.00 72.51 H new ATOM 0 HG2 GLN A 89 -3.874 -3.036 -34.538 1.00 14.42 H new ATOM 0 HG3 GLN A 89 -3.695 -2.467 -36.187 1.00 14.42 H new ATOM 0 HE21 GLN A 89 -5.889 -3.881 -35.782 1.00 32.35 H new ATOM 0 HE22 GLN A 89 -5.749 -5.526 -36.411 1.00 32.35 H new ATOM 1231 N LEU A 90 -1.408 -1.752 -32.293 1.00 24.31 N ATOM 1232 CA LEU A 90 -1.007 -1.979 -30.909 1.00 0.34 C ATOM 1233 C LEU A 90 -1.975 -2.929 -30.210 1.00 44.31 C ATOM 1234 O LEU A 90 -3.192 -2.813 -30.358 1.00 3.44 O ATOM 1235 CB LEU A 90 -0.943 -0.651 -30.152 1.00 4.11 C ATOM 1236 CG LEU A 90 0.448 -0.202 -29.701 1.00 32.24 C ATOM 1237 CD1 LEU A 90 1.100 -1.272 -28.839 1.00 1.14 C ATOM 1238 CD2 LEU A 90 1.321 0.121 -30.904 1.00 72.14 C ATOM 0 H LEU A 90 -2.170 -1.083 -32.407 1.00 24.31 H new ATOM 0 HA LEU A 90 -0.018 -2.436 -30.914 1.00 0.34 H new ATOM 0 HB2 LEU A 90 -1.366 0.127 -30.787 1.00 4.11 H new ATOM 0 HB3 LEU A 90 -1.582 -0.726 -29.272 1.00 4.11 H new ATOM 0 HG LEU A 90 0.340 0.703 -29.103 1.00 32.24 H new ATOM 0 HD11 LEU A 90 2.089 -0.936 -28.527 1.00 1.14 H new ATOM 0 HD12 LEU A 90 0.484 -1.455 -27.958 1.00 1.14 H new ATOM 0 HD13 LEU A 90 1.195 -2.194 -29.413 1.00 1.14 H new ATOM 0 HD21 LEU A 90 2.307 0.439 -30.564 1.00 72.14 H new ATOM 0 HD22 LEU A 90 1.422 -0.766 -31.529 1.00 72.14 H new ATOM 0 HD23 LEU A 90 0.861 0.922 -31.482 1.00 72.14 H new ATOM 1250 N THR A 91 -1.426 -3.868 -29.446 1.00 63.45 N ATOM 1251 CA THR A 91 -2.239 -4.838 -28.724 1.00 14.11 C ATOM 1252 C THR A 91 -1.861 -4.882 -27.248 1.00 14.42 C ATOM 1253 O THR A 91 -0.837 -5.453 -26.876 1.00 62.05 O ATOM 1254 CB THR A 91 -2.094 -6.250 -29.322 1.00 22.15 C ATOM 1255 OG1 THR A 91 -1.710 -6.162 -30.698 1.00 64.32 O ATOM 1256 CG2 THR A 91 -3.397 -7.025 -29.202 1.00 31.41 C ATOM 0 H THR A 91 -0.421 -3.977 -29.311 1.00 63.45 H new ATOM 0 HA THR A 91 -3.276 -4.516 -28.821 1.00 14.11 H new ATOM 0 HB THR A 91 -1.322 -6.780 -28.763 1.00 22.15 H new ATOM 0 HG1 THR A 91 -1.618 -7.064 -31.070 1.00 64.32 H new ATOM 0 HG21 THR A 91 -3.270 -8.019 -29.631 1.00 31.41 H new ATOM 0 HG22 THR A 91 -3.671 -7.116 -28.151 1.00 31.41 H new ATOM 0 HG23 THR A 91 -4.185 -6.497 -29.738 1.00 31.41 H new ATOM 1264 N ALA A 92 -2.696 -4.275 -26.410 1.00 3.21 N ATOM 1265 CA ALA A 92 -2.450 -4.247 -24.973 1.00 62.24 C ATOM 1266 C ALA A 92 -3.456 -5.117 -24.227 1.00 51.24 C ATOM 1267 O ALA A 92 -4.627 -5.183 -24.599 1.00 33.33 O ATOM 1268 CB ALA A 92 -2.500 -2.817 -24.457 1.00 30.02 C ATOM 0 H ALA A 92 -3.548 -3.796 -26.702 1.00 3.21 H new ATOM 0 HA ALA A 92 -1.454 -4.652 -24.791 1.00 62.24 H new ATOM 0 HB1 ALA A 92 -2.315 -2.811 -23.383 1.00 30.02 H new ATOM 0 HB2 ALA A 92 -1.738 -2.222 -24.960 1.00 30.02 H new ATOM 0 HB3 ALA A 92 -3.483 -2.392 -24.658 1.00 30.02 H new ATOM 1274 N GLU A 93 -2.991 -5.782 -23.175 1.00 23.13 N ATOM 1275 CA GLU A 93 -3.851 -6.649 -22.378 1.00 53.13 C ATOM 1276 C GLU A 93 -4.082 -6.060 -20.990 1.00 4.54 C ATOM 1277 O GLU A 93 -3.405 -5.114 -20.585 1.00 73.41 O ATOM 1278 CB GLU A 93 -3.235 -8.044 -22.256 1.00 61.04 C ATOM 1279 CG GLU A 93 -3.720 -9.019 -23.316 1.00 53.42 C ATOM 1280 CD GLU A 93 -5.173 -9.410 -23.128 1.00 12.35 C ATOM 1281 OE1 GLU A 93 -5.590 -9.599 -21.965 1.00 41.44 O ATOM 1282 OE2 GLU A 93 -5.893 -9.527 -24.141 1.00 70.00 O ATOM 0 H GLU A 93 -2.024 -5.737 -22.854 1.00 23.13 H new ATOM 0 HA GLU A 93 -4.813 -6.728 -22.885 1.00 53.13 H new ATOM 0 HB2 GLU A 93 -2.150 -7.960 -22.321 1.00 61.04 H new ATOM 0 HB3 GLU A 93 -3.465 -8.448 -21.270 1.00 61.04 H new ATOM 0 HG2 GLU A 93 -3.593 -8.571 -24.302 1.00 53.42 H new ATOM 0 HG3 GLU A 93 -3.100 -9.915 -23.291 1.00 53.42 H new ATOM 1289 N MET A 94 -5.042 -6.625 -20.265 1.00 43.11 N ATOM 1290 CA MET A 94 -5.361 -6.156 -18.922 1.00 32.23 C ATOM 1291 C MET A 94 -4.762 -7.081 -17.867 1.00 14.24 C ATOM 1292 O MET A 94 -4.580 -8.275 -18.104 1.00 44.01 O ATOM 1293 CB MET A 94 -6.877 -6.067 -18.737 1.00 13.42 C ATOM 1294 CG MET A 94 -7.330 -4.793 -18.041 1.00 34.41 C ATOM 1295 SD MET A 94 -9.086 -4.458 -18.280 1.00 21.43 S ATOM 1296 CE MET A 94 -9.618 -4.220 -16.586 1.00 54.23 C ATOM 0 H MET A 94 -5.612 -7.408 -20.585 1.00 43.11 H new ATOM 0 HA MET A 94 -4.928 -5.163 -18.798 1.00 32.23 H new ATOM 0 HB2 MET A 94 -7.358 -6.129 -19.713 1.00 13.42 H new ATOM 0 HB3 MET A 94 -7.216 -6.927 -18.159 1.00 13.42 H new ATOM 0 HG2 MET A 94 -7.121 -4.872 -16.974 1.00 34.41 H new ATOM 0 HG3 MET A 94 -6.749 -3.951 -18.418 1.00 34.41 H new ATOM 0 HE1 MET A 94 -10.686 -4.004 -16.567 1.00 54.23 H new ATOM 0 HE2 MET A 94 -9.421 -5.126 -16.012 1.00 54.23 H new ATOM 0 HE3 MET A 94 -9.071 -3.386 -16.147 1.00 54.23 H new ATOM 1306 N LYS A 95 -4.458 -6.522 -16.700 1.00 51.43 N ATOM 1307 CA LYS A 95 -3.881 -7.295 -15.608 1.00 24.33 C ATOM 1308 C LYS A 95 -4.825 -8.411 -15.173 1.00 32.24 C ATOM 1309 O LYS A 95 -4.394 -9.530 -14.890 1.00 1.52 O ATOM 1310 CB LYS A 95 -3.569 -6.384 -14.419 1.00 13.44 C ATOM 1311 CG LYS A 95 -4.770 -5.594 -13.927 1.00 30.23 C ATOM 1312 CD LYS A 95 -4.358 -4.497 -12.960 1.00 1.22 C ATOM 1313 CE LYS A 95 -5.527 -4.045 -12.098 1.00 60.30 C ATOM 1314 NZ LYS A 95 -5.243 -4.214 -10.646 1.00 12.31 N ATOM 0 H LYS A 95 -4.602 -5.535 -16.487 1.00 51.43 H new ATOM 0 HA LYS A 95 -2.955 -7.745 -15.965 1.00 24.33 H new ATOM 0 HB2 LYS A 95 -3.182 -6.990 -13.599 1.00 13.44 H new ATOM 0 HB3 LYS A 95 -2.778 -5.689 -14.702 1.00 13.44 H new ATOM 0 HG2 LYS A 95 -5.290 -5.154 -14.778 1.00 30.23 H new ATOM 0 HG3 LYS A 95 -5.473 -6.267 -13.437 1.00 30.23 H new ATOM 0 HD2 LYS A 95 -3.552 -4.858 -12.321 1.00 1.22 H new ATOM 0 HD3 LYS A 95 -3.966 -3.647 -13.518 1.00 1.22 H new ATOM 0 HE2 LYS A 95 -5.748 -2.998 -12.305 1.00 60.30 H new ATOM 0 HE3 LYS A 95 -6.416 -4.617 -12.363 1.00 60.30 H new ATOM 0 HZ1 LYS A 95 -6.064 -3.895 -10.092 1.00 12.31 H new ATOM 0 HZ2 LYS A 95 -5.057 -5.217 -10.443 1.00 12.31 H new ATOM 0 HZ3 LYS A 95 -4.410 -3.648 -10.387 1.00 12.31 H new ATOM 1328 N THR A 96 -6.117 -8.101 -15.122 1.00 50.00 N ATOM 1329 CA THR A 96 -7.122 -9.077 -14.722 1.00 34.21 C ATOM 1330 C THR A 96 -7.131 -10.275 -15.665 1.00 32.25 C ATOM 1331 O THR A 96 -7.139 -11.425 -15.224 1.00 61.43 O ATOM 1332 CB THR A 96 -8.530 -8.453 -14.690 1.00 73.03 C ATOM 1333 OG1 THR A 96 -8.439 -7.053 -14.405 1.00 11.15 O ATOM 1334 CG2 THR A 96 -9.401 -9.134 -13.644 1.00 45.44 C ATOM 0 H THR A 96 -6.492 -7.181 -15.353 1.00 50.00 H new ATOM 0 HA THR A 96 -6.857 -9.410 -13.718 1.00 34.21 H new ATOM 0 HB THR A 96 -8.988 -8.595 -15.669 1.00 73.03 H new ATOM 0 HG1 THR A 96 -9.338 -6.663 -14.388 1.00 11.15 H new ATOM 0 HG21 THR A 96 -10.390 -8.676 -13.640 1.00 45.44 H new ATOM 0 HG22 THR A 96 -9.493 -10.194 -13.881 1.00 45.44 H new ATOM 0 HG23 THR A 96 -8.945 -9.020 -12.661 1.00 45.44 H new ATOM 1342 N THR A 97 -7.129 -9.999 -16.965 1.00 72.31 N ATOM 1343 CA THR A 97 -7.137 -11.055 -17.970 1.00 54.42 C ATOM 1344 C THR A 97 -5.952 -11.996 -17.789 1.00 11.20 C ATOM 1345 O THR A 97 -6.126 -13.203 -17.617 1.00 42.44 O ATOM 1346 CB THR A 97 -7.103 -10.473 -19.396 1.00 41.40 C ATOM 1347 OG1 THR A 97 -7.762 -9.202 -19.422 1.00 42.44 O ATOM 1348 CG2 THR A 97 -7.773 -11.417 -20.382 1.00 63.35 C ATOM 0 H THR A 97 -7.122 -9.053 -17.347 1.00 72.31 H new ATOM 0 HA THR A 97 -8.064 -11.613 -17.835 1.00 54.42 H new ATOM 0 HB THR A 97 -6.061 -10.348 -19.689 1.00 41.40 H new ATOM 0 HG1 THR A 97 -7.735 -8.838 -20.331 1.00 42.44 H new ATOM 0 HG21 THR A 97 -7.737 -10.985 -21.382 1.00 63.35 H new ATOM 0 HG22 THR A 97 -7.251 -12.374 -20.381 1.00 63.35 H new ATOM 0 HG23 THR A 97 -8.812 -11.570 -20.091 1.00 63.35 H new ATOM 1356 N TYR A 98 -4.748 -11.437 -17.827 1.00 43.24 N ATOM 1357 CA TYR A 98 -3.533 -12.227 -17.669 1.00 22.30 C ATOM 1358 C TYR A 98 -3.589 -13.063 -16.394 1.00 2.45 C ATOM 1359 O TYR A 98 -3.308 -14.262 -16.410 1.00 11.14 O ATOM 1360 CB TYR A 98 -2.306 -11.315 -17.641 1.00 4.32 C ATOM 1361 CG TYR A 98 -1.503 -11.340 -18.922 1.00 3.22 C ATOM 1362 CD1 TYR A 98 -1.231 -10.168 -19.617 1.00 43.11 C ATOM 1363 CD2 TYR A 98 -1.017 -12.535 -19.437 1.00 71.04 C ATOM 1364 CE1 TYR A 98 -0.498 -10.186 -20.788 1.00 52.13 C ATOM 1365 CE2 TYR A 98 -0.283 -12.562 -20.607 1.00 25.31 C ATOM 1366 CZ TYR A 98 -0.026 -11.385 -21.279 1.00 20.42 C ATOM 1367 OH TYR A 98 0.704 -11.409 -22.445 1.00 42.50 O ATOM 0 H TYR A 98 -4.587 -10.439 -17.966 1.00 43.24 H new ATOM 0 HA TYR A 98 -3.456 -12.902 -18.521 1.00 22.30 H new ATOM 0 HB2 TYR A 98 -2.628 -10.293 -17.444 1.00 4.32 H new ATOM 0 HB3 TYR A 98 -1.662 -11.611 -16.813 1.00 4.32 H new ATOM 0 HD1 TYR A 98 -1.599 -9.227 -19.235 1.00 43.11 H new ATOM 0 HD2 TYR A 98 -1.216 -13.459 -18.914 1.00 71.04 H new ATOM 0 HE1 TYR A 98 -0.296 -9.266 -21.316 1.00 52.13 H new ATOM 0 HE2 TYR A 98 0.088 -13.500 -20.994 1.00 25.31 H new ATOM 0 HH TYR A 98 0.961 -12.332 -22.651 1.00 42.50 H new ATOM 1377 N LEU A 99 -3.954 -12.420 -15.289 1.00 61.55 N ATOM 1378 CA LEU A 99 -4.048 -13.103 -14.003 1.00 53.44 C ATOM 1379 C LEU A 99 -4.951 -14.328 -14.102 1.00 71.21 C ATOM 1380 O LEU A 99 -4.620 -15.397 -13.591 1.00 25.21 O ATOM 1381 CB LEU A 99 -4.582 -12.147 -12.935 1.00 2.12 C ATOM 1382 CG LEU A 99 -4.659 -12.705 -11.513 1.00 72.14 C ATOM 1383 CD1 LEU A 99 -3.986 -11.759 -10.531 1.00 70.21 C ATOM 1384 CD2 LEU A 99 -6.107 -12.949 -11.114 1.00 73.34 C ATOM 0 H LEU A 99 -4.189 -11.428 -15.258 1.00 61.55 H new ATOM 0 HA LEU A 99 -3.049 -13.433 -13.720 1.00 53.44 H new ATOM 0 HB2 LEU A 99 -3.950 -11.259 -12.922 1.00 2.12 H new ATOM 0 HB3 LEU A 99 -5.580 -11.824 -13.232 1.00 2.12 H new ATOM 0 HG LEU A 99 -4.130 -13.658 -11.488 1.00 72.14 H new ATOM 0 HD11 LEU A 99 -4.051 -12.173 -9.525 1.00 70.21 H new ATOM 0 HD12 LEU A 99 -2.938 -11.635 -10.805 1.00 70.21 H new ATOM 0 HD13 LEU A 99 -4.486 -10.791 -10.558 1.00 70.21 H new ATOM 0 HD21 LEU A 99 -6.143 -13.346 -10.099 1.00 73.34 H new ATOM 0 HD22 LEU A 99 -6.659 -12.010 -11.156 1.00 73.34 H new ATOM 0 HD23 LEU A 99 -6.558 -13.666 -11.800 1.00 73.34 H new ATOM 1396 N GLU A 100 -6.092 -14.165 -14.765 1.00 0.24 N ATOM 1397 CA GLU A 100 -7.041 -15.259 -14.931 1.00 53.01 C ATOM 1398 C GLU A 100 -6.434 -16.384 -15.764 1.00 51.04 C ATOM 1399 O GLU A 100 -6.646 -17.563 -15.482 1.00 63.52 O ATOM 1400 CB GLU A 100 -8.325 -14.754 -15.594 1.00 45.11 C ATOM 1401 CG GLU A 100 -9.575 -15.485 -15.135 1.00 11.41 C ATOM 1402 CD GLU A 100 -10.204 -16.314 -16.238 1.00 14.34 C ATOM 1403 OE1 GLU A 100 -10.309 -17.546 -16.066 1.00 63.41 O ATOM 1404 OE2 GLU A 100 -10.592 -15.731 -17.271 1.00 50.45 O ATOM 0 H GLU A 100 -6.381 -13.287 -15.195 1.00 0.24 H new ATOM 0 HA GLU A 100 -7.281 -15.651 -13.943 1.00 53.01 H new ATOM 0 HB2 GLU A 100 -8.438 -13.691 -15.384 1.00 45.11 H new ATOM 0 HB3 GLU A 100 -8.230 -14.857 -16.675 1.00 45.11 H new ATOM 0 HG2 GLU A 100 -9.324 -16.134 -14.296 1.00 11.41 H new ATOM 0 HG3 GLU A 100 -10.303 -14.760 -14.771 1.00 11.41 H new ATOM 1411 N ARG A 101 -5.679 -16.010 -16.792 1.00 52.22 N ATOM 1412 CA ARG A 101 -5.043 -16.986 -17.668 1.00 24.20 C ATOM 1413 C ARG A 101 -4.070 -17.865 -16.887 1.00 11.14 C ATOM 1414 O ARG A 101 -4.210 -19.088 -16.854 1.00 43.30 O ATOM 1415 CB ARG A 101 -4.305 -16.278 -18.806 1.00 33.00 C ATOM 1416 CG ARG A 101 -5.231 -15.588 -19.795 1.00 4.12 C ATOM 1417 CD ARG A 101 -6.182 -16.576 -20.450 1.00 74.22 C ATOM 1418 NE ARG A 101 -6.734 -16.058 -21.699 1.00 74.53 N ATOM 1419 CZ ARG A 101 -7.400 -16.805 -22.574 1.00 3.21 C ATOM 1420 NH1 ARG A 101 -7.595 -18.095 -22.337 1.00 0.53 N ATOM 1421 NH2 ARG A 101 -7.872 -16.261 -23.688 1.00 43.14 N ATOM 0 H ARG A 101 -5.493 -15.038 -17.038 1.00 52.22 H new ATOM 0 HA ARG A 101 -5.823 -17.621 -18.089 1.00 24.20 H new ATOM 0 HB2 ARG A 101 -3.624 -15.540 -18.382 1.00 33.00 H new ATOM 0 HB3 ARG A 101 -3.694 -17.006 -19.340 1.00 33.00 H new ATOM 0 HG2 ARG A 101 -5.804 -14.816 -19.281 1.00 4.12 H new ATOM 0 HG3 ARG A 101 -4.639 -15.088 -20.562 1.00 4.12 H new ATOM 0 HD2 ARG A 101 -5.656 -17.510 -20.646 1.00 74.22 H new ATOM 0 HD3 ARG A 101 -6.995 -16.807 -19.762 1.00 74.22 H new ATOM 0 HE ARG A 101 -6.601 -15.069 -21.911 1.00 74.53 H new ATOM 0 HH11 ARG A 101 -7.234 -18.517 -21.481 1.00 0.53 H new ATOM 0 HH12 ARG A 101 -8.106 -18.666 -23.010 1.00 0.53 H new ATOM 0 HH21 ARG A 101 -7.724 -15.269 -23.874 1.00 43.14 H new ATOM 0 HH22 ARG A 101 -8.383 -16.835 -24.359 1.00 43.14 H new ATOM 1435 N LYS A 102 -3.084 -17.233 -16.258 1.00 72.54 N ATOM 1436 CA LYS A 102 -2.088 -17.956 -15.476 1.00 51.12 C ATOM 1437 C LYS A 102 -2.753 -18.793 -14.389 1.00 32.35 C ATOM 1438 O LYS A 102 -2.371 -19.939 -14.153 1.00 63.14 O ATOM 1439 CB LYS A 102 -1.096 -16.976 -14.845 1.00 72.04 C ATOM 1440 CG LYS A 102 -1.756 -15.915 -13.982 1.00 4.41 C ATOM 1441 CD LYS A 102 -0.751 -14.876 -13.511 1.00 14.00 C ATOM 1442 CE LYS A 102 0.328 -15.499 -12.639 1.00 72.30 C ATOM 1443 NZ LYS A 102 1.309 -14.486 -12.162 1.00 21.03 N ATOM 0 H LYS A 102 -2.954 -16.222 -16.275 1.00 72.54 H new ATOM 0 HA LYS A 102 -1.551 -18.626 -16.148 1.00 51.12 H new ATOM 0 HB2 LYS A 102 -0.383 -17.534 -14.238 1.00 72.04 H new ATOM 0 HB3 LYS A 102 -0.528 -16.487 -15.636 1.00 72.04 H new ATOM 0 HG2 LYS A 102 -2.549 -15.426 -14.548 1.00 4.41 H new ATOM 0 HG3 LYS A 102 -2.225 -16.387 -13.119 1.00 4.41 H new ATOM 0 HD2 LYS A 102 -0.290 -14.396 -14.375 1.00 14.00 H new ATOM 0 HD3 LYS A 102 -1.268 -14.096 -12.951 1.00 14.00 H new ATOM 0 HE2 LYS A 102 -0.135 -15.988 -11.782 1.00 72.30 H new ATOM 0 HE3 LYS A 102 0.850 -16.272 -13.203 1.00 72.30 H new ATOM 0 HZ1 LYS A 102 2.028 -14.950 -11.571 1.00 21.03 H new ATOM 0 HZ2 LYS A 102 1.770 -14.037 -12.979 1.00 21.03 H new ATOM 0 HZ3 LYS A 102 0.816 -13.762 -11.602 1.00 21.03 H new ATOM 1457 N ALA A 103 -3.751 -18.214 -13.729 1.00 72.13 N ATOM 1458 CA ALA A 103 -4.471 -18.909 -12.669 1.00 54.43 C ATOM 1459 C ALA A 103 -5.095 -20.201 -13.185 1.00 23.31 C ATOM 1460 O ALA A 103 -5.027 -21.239 -12.527 1.00 3.21 O ATOM 1461 CB ALA A 103 -5.542 -18.004 -12.078 1.00 1.51 C ATOM 0 H ALA A 103 -4.079 -17.265 -13.910 1.00 72.13 H new ATOM 0 HA ALA A 103 -3.756 -19.168 -11.888 1.00 54.43 H new ATOM 0 HB1 ALA A 103 -6.072 -18.536 -11.288 1.00 1.51 H new ATOM 0 HB2 ALA A 103 -5.075 -17.110 -11.664 1.00 1.51 H new ATOM 0 HB3 ALA A 103 -6.247 -17.717 -12.858 1.00 1.51 H new ATOM 1467 N GLU A 104 -5.702 -20.130 -14.365 1.00 71.43 N ATOM 1468 CA GLU A 104 -6.339 -21.296 -14.967 1.00 63.13 C ATOM 1469 C GLU A 104 -5.298 -22.335 -15.375 1.00 43.30 C ATOM 1470 O GLU A 104 -5.533 -23.538 -15.270 1.00 1.21 O ATOM 1471 CB GLU A 104 -7.165 -20.881 -16.186 1.00 54.20 C ATOM 1472 CG GLU A 104 -8.391 -21.750 -16.415 1.00 2.40 C ATOM 1473 CD GLU A 104 -9.175 -21.340 -17.647 1.00 5.02 C ATOM 1474 OE1 GLU A 104 -9.895 -20.322 -17.579 1.00 42.14 O ATOM 1475 OE2 GLU A 104 -9.068 -22.037 -18.677 1.00 51.24 O ATOM 0 H GLU A 104 -5.766 -19.279 -14.923 1.00 71.43 H new ATOM 0 HA GLU A 104 -7.000 -21.741 -14.223 1.00 63.13 H new ATOM 0 HB2 GLU A 104 -7.482 -19.845 -16.064 1.00 54.20 H new ATOM 0 HB3 GLU A 104 -6.533 -20.919 -17.073 1.00 54.20 H new ATOM 0 HG2 GLU A 104 -8.081 -22.790 -16.516 1.00 2.40 H new ATOM 0 HG3 GLU A 104 -9.040 -21.694 -15.541 1.00 2.40 H new ATOM 1482 N GLU A 105 -4.147 -21.859 -15.841 1.00 70.32 N ATOM 1483 CA GLU A 105 -3.071 -22.747 -16.266 1.00 42.31 C ATOM 1484 C GLU A 105 -2.576 -23.599 -15.101 1.00 13.11 C ATOM 1485 O GLU A 105 -2.610 -24.828 -15.159 1.00 72.43 O ATOM 1486 CB GLU A 105 -1.911 -21.936 -16.848 1.00 2.24 C ATOM 1487 CG GLU A 105 -0.895 -22.780 -17.599 1.00 4.43 C ATOM 1488 CD GLU A 105 0.240 -21.953 -18.173 1.00 32.24 C ATOM 1489 OE1 GLU A 105 0.607 -22.183 -19.344 1.00 55.12 O ATOM 1490 OE2 GLU A 105 0.761 -21.077 -17.451 1.00 32.51 O ATOM 0 H GLU A 105 -3.936 -20.865 -15.934 1.00 70.32 H new ATOM 0 HA GLU A 105 -3.465 -23.410 -17.037 1.00 42.31 H new ATOM 0 HB2 GLU A 105 -2.311 -21.178 -17.522 1.00 2.24 H new ATOM 0 HB3 GLU A 105 -1.406 -21.408 -16.039 1.00 2.24 H new ATOM 0 HG2 GLU A 105 -0.486 -23.534 -16.926 1.00 4.43 H new ATOM 0 HG3 GLU A 105 -1.397 -23.312 -18.407 1.00 4.43 H new ATOM 1497 N ILE A 106 -2.117 -22.937 -14.044 1.00 41.35 N ATOM 1498 CA ILE A 106 -1.616 -23.633 -12.866 1.00 1.42 C ATOM 1499 C ILE A 106 -2.710 -24.475 -12.219 1.00 23.33 C ATOM 1500 O ILE A 106 -2.447 -25.560 -11.701 1.00 60.53 O ATOM 1501 CB ILE A 106 -1.060 -22.645 -11.823 1.00 63.20 C ATOM 1502 CG1 ILE A 106 -0.527 -23.402 -10.605 1.00 30.42 C ATOM 1503 CG2 ILE A 106 -2.135 -21.652 -11.408 1.00 22.13 C ATOM 1504 CD1 ILE A 106 0.912 -23.076 -10.272 1.00 40.12 C ATOM 0 H ILE A 106 -2.082 -21.920 -13.980 1.00 41.35 H new ATOM 0 HA ILE A 106 -0.810 -24.285 -13.203 1.00 1.42 H new ATOM 0 HB ILE A 106 -0.236 -22.091 -12.272 1.00 63.20 H new ATOM 0 HG12 ILE A 106 -1.152 -23.172 -9.742 1.00 30.42 H new ATOM 0 HG13 ILE A 106 -0.616 -24.473 -10.786 1.00 30.42 H new ATOM 0 HG21 ILE A 106 -1.727 -20.961 -10.671 1.00 22.13 H new ATOM 0 HG22 ILE A 106 -2.471 -21.094 -12.282 1.00 22.13 H new ATOM 0 HG23 ILE A 106 -2.978 -22.189 -10.974 1.00 22.13 H new ATOM 0 HD11 ILE A 106 1.222 -23.649 -9.398 1.00 40.12 H new ATOM 0 HD12 ILE A 106 1.549 -23.333 -11.119 1.00 40.12 H new ATOM 0 HD13 ILE A 106 1.004 -22.011 -10.059 1.00 40.12 H new ATOM 1516 N ALA A 107 -3.938 -23.969 -12.253 1.00 41.34 N ATOM 1517 CA ALA A 107 -5.073 -24.676 -11.674 1.00 22.42 C ATOM 1518 C ALA A 107 -5.259 -26.042 -12.326 1.00 21.34 C ATOM 1519 O ALA A 107 -5.580 -27.022 -11.654 1.00 72.32 O ATOM 1520 CB ALA A 107 -6.340 -23.846 -11.813 1.00 41.35 C ATOM 0 H ALA A 107 -4.172 -23.071 -12.676 1.00 41.34 H new ATOM 0 HA ALA A 107 -4.869 -24.832 -10.615 1.00 22.42 H new ATOM 0 HB1 ALA A 107 -7.179 -24.387 -11.376 1.00 41.35 H new ATOM 0 HB2 ALA A 107 -6.211 -22.896 -11.294 1.00 41.35 H new ATOM 0 HB3 ALA A 107 -6.539 -23.659 -12.868 1.00 41.35 H new ATOM 1526 N ALA A 108 -5.056 -26.099 -13.638 1.00 23.32 N ATOM 1527 CA ALA A 108 -5.200 -27.346 -14.380 1.00 11.33 C ATOM 1528 C ALA A 108 -4.151 -28.365 -13.949 1.00 72.42 C ATOM 1529 O ALA A 108 -4.453 -29.546 -13.775 1.00 63.43 O ATOM 1530 CB ALA A 108 -5.102 -27.084 -15.875 1.00 41.03 C ATOM 0 H ALA A 108 -4.791 -25.296 -14.209 1.00 23.32 H new ATOM 0 HA ALA A 108 -6.183 -27.761 -14.159 1.00 11.33 H new ATOM 0 HB1 ALA A 108 -5.211 -28.023 -16.417 1.00 41.03 H new ATOM 0 HB2 ALA A 108 -5.893 -26.397 -16.177 1.00 41.03 H new ATOM 0 HB3 ALA A 108 -4.132 -26.643 -16.104 1.00 41.03 H new ATOM 1536 N LYS A 109 -2.917 -27.902 -13.779 1.00 74.43 N ATOM 1537 CA LYS A 109 -1.823 -28.773 -13.368 1.00 64.45 C ATOM 1538 C LYS A 109 -2.000 -29.225 -11.922 1.00 44.42 C ATOM 1539 O LYS A 109 -1.964 -30.419 -11.625 1.00 14.24 O ATOM 1540 CB LYS A 109 -0.482 -28.052 -13.529 1.00 33.35 C ATOM 1541 CG LYS A 109 -0.177 -27.647 -14.960 1.00 65.42 C ATOM 1542 CD LYS A 109 1.224 -28.069 -15.372 1.00 2.43 C ATOM 1543 CE LYS A 109 1.276 -29.542 -15.746 1.00 53.15 C ATOM 1544 NZ LYS A 109 2.637 -30.115 -15.556 1.00 34.53 N ATOM 0 H LYS A 109 -2.650 -26.928 -13.920 1.00 74.43 H new ATOM 0 HA LYS A 109 -1.834 -29.655 -14.009 1.00 64.45 H new ATOM 0 HB2 LYS A 109 -0.480 -27.162 -12.900 1.00 33.35 H new ATOM 0 HB3 LYS A 109 0.315 -28.700 -13.166 1.00 33.35 H new ATOM 0 HG2 LYS A 109 -0.907 -28.100 -15.631 1.00 65.42 H new ATOM 0 HG3 LYS A 109 -0.278 -26.567 -15.063 1.00 65.42 H new ATOM 0 HD2 LYS A 109 1.552 -27.466 -16.219 1.00 2.43 H new ATOM 0 HD3 LYS A 109 1.918 -27.876 -14.554 1.00 2.43 H new ATOM 0 HE2 LYS A 109 0.561 -30.096 -15.139 1.00 53.15 H new ATOM 0 HE3 LYS A 109 0.973 -29.664 -16.786 1.00 53.15 H new ATOM 0 HZ1 LYS A 109 2.631 -31.120 -15.822 1.00 34.53 H new ATOM 0 HZ2 LYS A 109 3.316 -29.603 -16.155 1.00 34.53 H new ATOM 0 HZ3 LYS A 109 2.917 -30.022 -14.559 1.00 34.53 H new ATOM 1558 N LYS A 110 -2.191 -28.262 -11.026 1.00 74.33 N ATOM 1559 CA LYS A 110 -2.377 -28.560 -9.611 1.00 51.10 C ATOM 1560 C LYS A 110 -3.820 -28.963 -9.325 1.00 30.15 C ATOM 1561 O LYS A 110 -4.213 -29.121 -8.168 1.00 63.13 O ATOM 1562 CB LYS A 110 -1.997 -27.347 -8.760 1.00 2.55 C ATOM 1563 CG LYS A 110 -0.903 -27.634 -7.745 1.00 51.24 C ATOM 1564 CD LYS A 110 -0.105 -26.383 -7.417 1.00 23.40 C ATOM 1565 CE LYS A 110 1.343 -26.717 -7.088 1.00 55.53 C ATOM 1566 NZ LYS A 110 1.445 -27.760 -6.031 1.00 61.42 N ATOM 0 H LYS A 110 -2.221 -27.269 -11.255 1.00 74.33 H new ATOM 0 HA LYS A 110 -1.727 -29.396 -9.353 1.00 51.10 H new ATOM 0 HB2 LYS A 110 -1.669 -26.541 -9.417 1.00 2.55 H new ATOM 0 HB3 LYS A 110 -2.883 -26.990 -8.235 1.00 2.55 H new ATOM 0 HG2 LYS A 110 -1.347 -28.033 -6.833 1.00 51.24 H new ATOM 0 HG3 LYS A 110 -0.235 -28.401 -8.136 1.00 51.24 H new ATOM 0 HD2 LYS A 110 -0.138 -25.696 -8.263 1.00 23.40 H new ATOM 0 HD3 LYS A 110 -0.562 -25.869 -6.571 1.00 23.40 H new ATOM 0 HE2 LYS A 110 1.850 -27.062 -7.989 1.00 55.53 H new ATOM 0 HE3 LYS A 110 1.858 -25.815 -6.759 1.00 55.53 H new ATOM 0 HZ1 LYS A 110 2.430 -27.827 -5.703 1.00 61.42 H new ATOM 0 HZ2 LYS A 110 0.830 -27.505 -5.232 1.00 61.42 H new ATOM 0 HZ3 LYS A 110 1.146 -28.678 -6.419 1.00 61.42 H new