USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 784 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 64 SER OG : rot 180:sc= 0.0871 USER MOD Set 1.2: A 98 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 27 THR OG1 : rot -82:sc= -0.588 USER MOD Set 2.2: A 30 GLN : amide:sc= -0.391 X(o=-0.98,f=-0.89) USER MOD Single : A 12 THR OG1 : rot 22:sc= 0.187 USER MOD Single : A 14 HIS : no HD1:sc= -0.207 X(o=-0.21,f=0) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.168 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 138:sc= 0.219 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 78:sc= 0.917 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 X(o=0,f=-0.074) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.0346 X(o=-0.035,f=-0.22) 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 161:sc= 0.0225 USER MOD Single : A 62 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.0269) USER MOD Single : A 70 ASN : amide:sc= -0.0331 X(o=-0.033,f=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0.0603 USER MOD Single : A 79 GLN : amide:sc=-0.00301 X(o=-0.003,f=0.016) 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= -0.0441 USER MOD Single : A 89 GLN : amide:sc= -0.304 K(o=-0.3,f=-4.9!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.00647 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0625) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 12 0.015 0.262 -0.056 1.00 10.31 N ATOM 2 CA THR A 12 0.849 0.288 -1.251 1.00 22.34 C ATOM 3 C THR A 12 0.023 0.021 -2.504 1.00 23.22 C ATOM 4 O THR A 12 -0.905 -0.788 -2.486 1.00 42.14 O ATOM 5 CB THR A 12 1.983 -0.751 -1.166 1.00 63.30 C ATOM 6 OG1 THR A 12 2.646 -0.651 0.099 1.00 3.12 O ATOM 7 CG2 THR A 12 2.989 -0.547 -2.289 1.00 20.30 C ATOM 0 HA THR A 12 1.284 1.286 -1.312 1.00 22.34 H new ATOM 0 HB THR A 12 1.544 -1.744 -1.268 1.00 63.30 H new ATOM 0 HG1 THR A 12 2.050 -0.223 0.748 1.00 3.12 H new ATOM 0 HG21 THR A 12 3.780 -1.292 -2.208 1.00 20.30 H new ATOM 0 HG22 THR A 12 2.487 -0.653 -3.251 1.00 20.30 H new ATOM 0 HG23 THR A 12 3.421 0.451 -2.214 1.00 20.30 H new ATOM 15 N ASP A 13 0.367 0.704 -3.590 1.00 11.53 N ATOM 16 CA ASP A 13 -0.342 0.540 -4.853 1.00 73.52 C ATOM 17 C ASP A 13 0.631 0.228 -5.986 1.00 11.20 C ATOM 18 O ASP A 13 1.692 0.844 -6.094 1.00 54.42 O ATOM 19 CB ASP A 13 -1.141 1.802 -5.183 1.00 30.42 C ATOM 20 CG ASP A 13 -0.351 3.070 -4.928 1.00 65.14 C ATOM 21 OD1 ASP A 13 -0.601 3.729 -3.897 1.00 24.40 O ATOM 22 OD2 ASP A 13 0.519 3.404 -5.760 1.00 72.42 O ATOM 0 H ASP A 13 1.133 1.377 -3.621 1.00 11.53 H new ATOM 0 HA ASP A 13 -1.030 -0.299 -4.748 1.00 73.52 H new ATOM 0 HB2 ASP A 13 -1.447 1.772 -6.229 1.00 30.42 H new ATOM 0 HB3 ASP A 13 -2.052 1.818 -4.585 1.00 30.42 H new ATOM 27 N HIS A 14 0.263 -0.733 -6.828 1.00 4.23 N ATOM 28 CA HIS A 14 1.104 -1.127 -7.953 1.00 4.54 C ATOM 29 C HIS A 14 0.287 -1.213 -9.238 1.00 31.41 C ATOM 30 O HIS A 14 -0.775 -1.834 -9.267 1.00 72.33 O ATOM 31 CB HIS A 14 1.775 -2.471 -7.669 1.00 60.01 C ATOM 32 CG HIS A 14 0.817 -3.539 -7.240 1.00 61.50 C ATOM 33 ND1 HIS A 14 0.578 -3.849 -5.918 1.00 31.02 N ATOM 34 CD2 HIS A 14 0.035 -4.371 -7.967 1.00 61.31 C ATOM 35 CE1 HIS A 14 -0.308 -4.826 -5.850 1.00 75.21 C ATOM 36 NE2 HIS A 14 -0.654 -5.161 -7.080 1.00 73.00 N ATOM 0 H HIS A 14 -0.611 -1.253 -6.753 1.00 4.23 H new ATOM 0 HA HIS A 14 1.874 -0.366 -8.084 1.00 4.54 H new ATOM 0 HB2 HIS A 14 2.299 -2.803 -8.565 1.00 60.01 H new ATOM 0 HB3 HIS A 14 2.527 -2.335 -6.892 1.00 60.01 H new ATOM 0 HD2 HIS A 14 -0.034 -4.407 -9.044 1.00 61.31 H new ATOM 0 HE1 HIS A 14 -0.685 -5.275 -4.943 1.00 75.21 H new ATOM 0 HE2 HIS A 14 -1.324 -5.888 -7.330 1.00 73.00 H new ATOM 44 N GLN A 15 0.789 -0.586 -10.297 1.00 24.44 N ATOM 45 CA GLN A 15 0.104 -0.592 -11.584 1.00 22.34 C ATOM 46 C GLN A 15 1.072 -0.926 -12.714 1.00 71.50 C ATOM 47 O GLN A 15 2.139 -0.323 -12.831 1.00 62.44 O ATOM 48 CB GLN A 15 -0.551 0.765 -11.842 1.00 55.33 C ATOM 49 CG GLN A 15 0.446 1.900 -12.011 1.00 13.31 C ATOM 50 CD GLN A 15 -0.182 3.264 -11.804 1.00 13.54 C ATOM 51 OE1 GLN A 15 -0.598 3.921 -12.759 1.00 34.31 O ATOM 52 NE2 GLN A 15 -0.254 3.699 -10.551 1.00 13.20 N ATOM 0 H GLN A 15 1.667 -0.068 -10.289 1.00 24.44 H new ATOM 0 HA GLN A 15 -0.668 -1.360 -11.553 1.00 22.34 H new ATOM 0 HB2 GLN A 15 -1.167 0.697 -12.739 1.00 55.33 H new ATOM 0 HB3 GLN A 15 -1.219 1.000 -11.013 1.00 55.33 H new ATOM 0 HG2 GLN A 15 1.263 1.769 -11.302 1.00 13.31 H new ATOM 0 HG3 GLN A 15 0.880 1.852 -13.010 1.00 13.31 H new ATOM 0 HE21 GLN A 15 0.103 3.122 -9.789 1.00 13.20 H new ATOM 0 HE22 GLN A 15 -0.666 4.610 -10.350 1.00 13.20 H new ATOM 61 N THR A 16 0.693 -1.892 -13.545 1.00 74.41 N ATOM 62 CA THR A 16 1.527 -2.308 -14.665 1.00 60.33 C ATOM 63 C THR A 16 0.679 -2.847 -15.812 1.00 44.42 C ATOM 64 O THR A 16 -0.232 -3.647 -15.601 1.00 54.54 O ATOM 65 CB THR A 16 2.541 -3.388 -14.241 1.00 13.55 C ATOM 66 OG1 THR A 16 2.798 -3.292 -12.835 1.00 45.53 O ATOM 67 CG2 THR A 16 3.844 -3.240 -15.012 1.00 14.44 C ATOM 0 H THR A 16 -0.187 -2.401 -13.463 1.00 74.41 H new ATOM 0 HA THR A 16 2.068 -1.423 -15.001 1.00 60.33 H new ATOM 0 HB THR A 16 2.114 -4.365 -14.466 1.00 13.55 H new ATOM 0 HG1 THR A 16 3.442 -3.982 -12.572 1.00 45.53 H new ATOM 0 HG21 THR A 16 4.544 -4.013 -14.695 1.00 14.44 H new ATOM 0 HG22 THR A 16 3.649 -3.342 -16.079 1.00 14.44 H new ATOM 0 HG23 THR A 16 4.274 -2.258 -14.814 1.00 14.44 H new ATOM 75 N VAL A 17 0.986 -2.404 -17.027 1.00 41.44 N ATOM 76 CA VAL A 17 0.253 -2.843 -18.209 1.00 1.32 C ATOM 77 C VAL A 17 1.128 -3.708 -19.108 1.00 62.41 C ATOM 78 O VAL A 17 2.343 -3.521 -19.177 1.00 1.42 O ATOM 79 CB VAL A 17 -0.272 -1.644 -19.021 1.00 64.14 C ATOM 80 CG1 VAL A 17 -1.190 -2.117 -20.138 1.00 50.20 C ATOM 81 CG2 VAL A 17 -0.988 -0.657 -18.112 1.00 73.32 C ATOM 0 H VAL A 17 1.737 -1.741 -17.219 1.00 41.44 H new ATOM 0 HA VAL A 17 -0.594 -3.432 -17.856 1.00 1.32 H new ATOM 0 HB VAL A 17 0.578 -1.134 -19.474 1.00 64.14 H new ATOM 0 HG11 VAL A 17 -1.551 -1.256 -20.701 1.00 50.20 H new ATOM 0 HG12 VAL A 17 -0.640 -2.781 -20.804 1.00 50.20 H new ATOM 0 HG13 VAL A 17 -2.038 -2.653 -19.710 1.00 50.20 H new ATOM 0 HG21 VAL A 17 -1.352 0.184 -18.703 1.00 73.32 H new ATOM 0 HG22 VAL A 17 -1.830 -1.152 -17.628 1.00 73.32 H new ATOM 0 HG23 VAL A 17 -0.296 -0.294 -17.352 1.00 73.32 H new ATOM 91 N TYR A 18 0.503 -4.657 -19.797 1.00 1.13 N ATOM 92 CA TYR A 18 1.225 -5.554 -20.691 1.00 41.32 C ATOM 93 C TYR A 18 0.876 -5.267 -22.148 1.00 73.24 C ATOM 94 O TYR A 18 -0.296 -5.249 -22.526 1.00 62.34 O ATOM 95 CB TYR A 18 0.904 -7.011 -20.355 1.00 55.11 C ATOM 96 CG TYR A 18 1.053 -7.341 -18.887 1.00 52.12 C ATOM 97 CD1 TYR A 18 2.222 -7.911 -18.399 1.00 2.13 C ATOM 98 CD2 TYR A 18 0.025 -7.084 -17.989 1.00 13.22 C ATOM 99 CE1 TYR A 18 2.363 -8.215 -17.058 1.00 40.24 C ATOM 100 CE2 TYR A 18 0.157 -7.383 -16.647 1.00 2.12 C ATOM 101 CZ TYR A 18 1.328 -7.948 -16.186 1.00 60.44 C ATOM 102 OH TYR A 18 1.463 -8.249 -14.850 1.00 64.35 O ATOM 0 H TYR A 18 -0.502 -4.825 -19.753 1.00 1.13 H new ATOM 0 HA TYR A 18 2.292 -5.383 -20.551 1.00 41.32 H new ATOM 0 HB2 TYR A 18 -0.117 -7.230 -20.666 1.00 55.11 H new ATOM 0 HB3 TYR A 18 1.560 -7.661 -20.933 1.00 55.11 H new ATOM 0 HD1 TYR A 18 3.035 -8.120 -19.079 1.00 2.13 H new ATOM 0 HD2 TYR A 18 -0.894 -6.643 -18.346 1.00 13.22 H new ATOM 0 HE1 TYR A 18 3.278 -8.659 -16.695 1.00 40.24 H new ATOM 0 HE2 TYR A 18 -0.652 -7.176 -15.962 1.00 2.12 H new ATOM 0 HH TYR A 18 0.644 -7.997 -14.374 1.00 64.35 H new ATOM 112 N VAL A 19 1.902 -5.044 -22.963 1.00 50.23 N ATOM 113 CA VAL A 19 1.706 -4.760 -24.380 1.00 13.32 C ATOM 114 C VAL A 19 2.500 -5.727 -25.250 1.00 22.44 C ATOM 115 O VAL A 19 3.582 -6.176 -24.870 1.00 70.41 O ATOM 116 CB VAL A 19 2.120 -3.317 -24.726 1.00 20.14 C ATOM 117 CG1 VAL A 19 1.744 -2.983 -26.161 1.00 41.11 C ATOM 118 CG2 VAL A 19 1.483 -2.333 -23.756 1.00 73.30 C ATOM 0 H VAL A 19 2.878 -5.054 -22.666 1.00 50.23 H new ATOM 0 HA VAL A 19 0.642 -4.884 -24.583 1.00 13.32 H new ATOM 0 HB VAL A 19 3.203 -3.236 -24.631 1.00 20.14 H new ATOM 0 HG11 VAL A 19 2.044 -1.960 -26.387 1.00 41.11 H new ATOM 0 HG12 VAL A 19 2.252 -3.669 -26.839 1.00 41.11 H new ATOM 0 HG13 VAL A 19 0.666 -3.081 -26.287 1.00 41.11 H new ATOM 0 HG21 VAL A 19 1.786 -1.319 -24.015 1.00 73.30 H new ATOM 0 HG22 VAL A 19 0.398 -2.414 -23.816 1.00 73.30 H new ATOM 0 HG23 VAL A 19 1.808 -2.561 -22.741 1.00 73.30 H new ATOM 128 N LYS A 20 1.957 -6.045 -26.420 1.00 32.13 N ATOM 129 CA LYS A 20 2.615 -6.959 -27.347 1.00 14.55 C ATOM 130 C LYS A 20 4.056 -6.530 -27.602 1.00 22.25 C ATOM 131 O LYS A 20 4.423 -5.367 -27.432 1.00 33.22 O ATOM 132 CB LYS A 20 1.847 -7.016 -28.669 1.00 71.22 C ATOM 133 CG LYS A 20 1.419 -5.653 -29.184 1.00 11.21 C ATOM 134 CD LYS A 20 1.715 -5.498 -30.666 1.00 64.12 C ATOM 135 CE LYS A 20 2.880 -4.549 -30.906 1.00 34.03 C ATOM 136 NZ LYS A 20 3.584 -4.846 -32.184 1.00 34.32 N ATOM 0 H LYS A 20 1.062 -5.683 -26.749 1.00 32.13 H new ATOM 0 HA LYS A 20 2.624 -7.951 -26.896 1.00 14.55 H new ATOM 0 HB2 LYS A 20 2.471 -7.500 -29.421 1.00 71.22 H new ATOM 0 HB3 LYS A 20 0.963 -7.640 -28.539 1.00 71.22 H new ATOM 0 HG2 LYS A 20 0.352 -5.516 -29.009 1.00 11.21 H new ATOM 0 HG3 LYS A 20 1.937 -4.873 -28.625 1.00 11.21 H new ATOM 0 HD2 LYS A 20 1.944 -6.473 -31.096 1.00 64.12 H new ATOM 0 HD3 LYS A 20 0.828 -5.124 -31.178 1.00 64.12 H new ATOM 0 HE2 LYS A 20 2.514 -3.522 -30.923 1.00 34.03 H new ATOM 0 HE3 LYS A 20 3.585 -4.623 -30.078 1.00 34.03 H new ATOM 0 HZ1 LYS A 20 3.810 -3.955 -32.671 1.00 34.32 H new ATOM 0 HZ2 LYS A 20 4.463 -5.364 -31.984 1.00 34.32 H new ATOM 0 HZ3 LYS A 20 2.971 -5.426 -32.791 1.00 34.32 H new ATOM 150 N PRO A 21 4.894 -7.490 -28.020 1.00 43.13 N ATOM 151 CA PRO A 21 6.309 -7.235 -28.310 1.00 14.14 C ATOM 152 C PRO A 21 6.500 -6.385 -29.561 1.00 62.12 C ATOM 153 O PRO A 21 5.559 -6.164 -30.324 1.00 2.35 O ATOM 154 CB PRO A 21 6.886 -8.637 -28.522 1.00 13.34 C ATOM 155 CG PRO A 21 5.724 -9.463 -28.955 1.00 44.12 C ATOM 156 CD PRO A 21 4.526 -8.898 -28.244 1.00 52.12 C ATOM 0 HA PRO A 21 6.795 -6.676 -27.510 1.00 14.14 H new ATOM 0 HB2 PRO A 21 7.672 -8.632 -29.278 1.00 13.34 H new ATOM 0 HB3 PRO A 21 7.328 -9.026 -27.605 1.00 13.34 H new ATOM 0 HG2 PRO A 21 5.594 -9.417 -30.036 1.00 44.12 H new ATOM 0 HG3 PRO A 21 5.873 -10.511 -28.696 1.00 44.12 H new ATOM 0 HD2 PRO A 21 3.622 -8.986 -28.847 1.00 52.12 H new ATOM 0 HD3 PRO A 21 4.334 -9.417 -27.305 1.00 52.12 H new ATOM 164 N VAL A 22 7.725 -5.911 -29.768 1.00 31.35 N ATOM 165 CA VAL A 22 8.040 -5.087 -30.928 1.00 2.20 C ATOM 166 C VAL A 22 8.902 -5.851 -31.927 1.00 2.41 C ATOM 167 O VAL A 22 9.613 -6.794 -31.578 1.00 13.41 O ATOM 168 CB VAL A 22 8.772 -3.796 -30.517 1.00 2.52 C ATOM 169 CG1 VAL A 22 7.800 -2.805 -29.895 1.00 33.35 C ATOM 170 CG2 VAL A 22 9.911 -4.111 -29.559 1.00 32.14 C ATOM 0 H VAL A 22 8.515 -6.084 -29.147 1.00 31.35 H new ATOM 0 HA VAL A 22 7.092 -4.825 -31.397 1.00 2.20 H new ATOM 0 HB VAL A 22 9.196 -3.339 -31.411 1.00 2.52 H new ATOM 0 HG11 VAL A 22 8.336 -1.899 -29.611 1.00 33.35 H new ATOM 0 HG12 VAL A 22 7.023 -2.555 -30.617 1.00 33.35 H new ATOM 0 HG13 VAL A 22 7.344 -3.249 -29.010 1.00 33.35 H new ATOM 0 HG21 VAL A 22 10.417 -3.187 -29.279 1.00 32.14 H new ATOM 0 HG22 VAL A 22 9.513 -4.591 -28.665 1.00 32.14 H new ATOM 0 HG23 VAL A 22 10.621 -4.781 -30.045 1.00 32.14 H new ATOM 180 N PRO A 23 8.840 -5.435 -33.201 1.00 24.33 N ATOM 181 CA PRO A 23 9.610 -6.066 -34.277 1.00 61.02 C ATOM 182 C PRO A 23 11.105 -5.792 -34.158 1.00 24.52 C ATOM 183 O PRO A 23 11.545 -4.941 -33.385 1.00 44.11 O ATOM 184 CB PRO A 23 9.047 -5.416 -35.544 1.00 21.14 C ATOM 185 CG PRO A 23 8.515 -4.101 -35.090 1.00 12.22 C ATOM 186 CD PRO A 23 8.015 -4.318 -33.688 1.00 51.42 C ATOM 0 HA PRO A 23 9.518 -7.152 -34.261 1.00 61.02 H new ATOM 0 HB2 PRO A 23 9.820 -5.290 -36.302 1.00 21.14 H new ATOM 0 HB3 PRO A 23 8.262 -6.029 -35.988 1.00 21.14 H new ATOM 0 HG2 PRO A 23 9.292 -3.337 -35.113 1.00 12.22 H new ATOM 0 HG3 PRO A 23 7.712 -3.759 -35.742 1.00 12.22 H new ATOM 0 HD2 PRO A 23 8.142 -3.427 -33.074 1.00 51.42 H new ATOM 0 HD3 PRO A 23 6.954 -4.566 -33.674 1.00 51.42 H new ATOM 194 N PRO A 24 11.907 -6.530 -34.940 1.00 61.22 N ATOM 195 CA PRO A 24 13.366 -6.384 -34.941 1.00 13.15 C ATOM 196 C PRO A 24 13.816 -5.064 -35.557 1.00 12.22 C ATOM 197 O PRO A 24 14.942 -4.617 -35.339 1.00 45.51 O ATOM 198 CB PRO A 24 13.840 -7.562 -35.795 1.00 21.11 C ATOM 199 CG PRO A 24 12.687 -7.874 -36.685 1.00 14.53 C ATOM 200 CD PRO A 24 11.451 -7.563 -35.885 1.00 64.51 C ATOM 0 HA PRO A 24 13.776 -6.380 -33.931 1.00 13.15 H new ATOM 0 HB2 PRO A 24 14.726 -7.300 -36.373 1.00 21.11 H new ATOM 0 HB3 PRO A 24 14.105 -8.419 -35.175 1.00 21.11 H new ATOM 0 HG2 PRO A 24 12.724 -7.276 -37.595 1.00 14.53 H new ATOM 0 HG3 PRO A 24 12.701 -8.920 -36.990 1.00 14.53 H new ATOM 0 HD2 PRO A 24 10.643 -7.199 -36.519 1.00 64.51 H new ATOM 0 HD3 PRO A 24 11.076 -8.445 -35.366 1.00 64.51 H new ATOM 208 N THR A 25 12.928 -4.443 -36.327 1.00 43.55 N ATOM 209 CA THR A 25 13.235 -3.174 -36.976 1.00 15.31 C ATOM 210 C THR A 25 12.968 -2.000 -36.040 1.00 45.14 C ATOM 211 O THR A 25 13.743 -1.045 -35.991 1.00 63.23 O ATOM 212 CB THR A 25 12.409 -2.987 -38.263 1.00 63.00 C ATOM 213 OG1 THR A 25 12.614 -4.099 -39.142 1.00 33.03 O ATOM 214 CG2 THR A 25 12.795 -1.697 -38.971 1.00 23.10 C ATOM 0 H THR A 25 11.991 -4.798 -36.516 1.00 43.55 H new ATOM 0 HA THR A 25 14.294 -3.198 -37.233 1.00 15.31 H new ATOM 0 HB THR A 25 11.356 -2.931 -37.988 1.00 63.00 H new ATOM 0 HG1 THR A 25 12.084 -3.974 -39.957 1.00 33.03 H new ATOM 0 HG21 THR A 25 12.199 -1.587 -39.877 1.00 23.10 H new ATOM 0 HG22 THR A 25 12.611 -0.850 -38.310 1.00 23.10 H new ATOM 0 HG23 THR A 25 13.852 -1.729 -39.234 1.00 23.10 H new ATOM 222 N ALA A 26 11.868 -2.078 -35.299 1.00 3.21 N ATOM 223 CA ALA A 26 11.502 -1.023 -34.363 1.00 11.55 C ATOM 224 C ALA A 26 12.601 -0.799 -33.329 1.00 60.44 C ATOM 225 O ALA A 26 12.861 -1.660 -32.488 1.00 25.20 O ATOM 226 CB ALA A 26 10.188 -1.361 -33.674 1.00 2.13 C ATOM 0 H ALA A 26 11.215 -2.861 -35.329 1.00 3.21 H new ATOM 0 HA ALA A 26 11.377 -0.099 -34.927 1.00 11.55 H new ATOM 0 HB1 ALA A 26 9.927 -0.564 -32.978 1.00 2.13 H new ATOM 0 HB2 ALA A 26 9.401 -1.462 -34.421 1.00 2.13 H new ATOM 0 HB3 ALA A 26 10.294 -2.299 -33.129 1.00 2.13 H new ATOM 232 N THR A 27 13.245 0.362 -33.398 1.00 72.22 N ATOM 233 CA THR A 27 14.317 0.697 -32.470 1.00 43.32 C ATOM 234 C THR A 27 13.764 1.309 -31.188 1.00 50.34 C ATOM 235 O THR A 27 12.567 1.579 -31.084 1.00 13.24 O ATOM 236 CB THR A 27 15.321 1.680 -33.103 1.00 70.40 C ATOM 237 OG1 THR A 27 14.644 2.554 -34.012 1.00 54.13 O ATOM 238 CG2 THR A 27 16.422 0.930 -33.838 1.00 21.13 C ATOM 0 H THR A 27 13.042 1.086 -34.087 1.00 72.22 H new ATOM 0 HA THR A 27 14.831 -0.234 -32.232 1.00 43.32 H new ATOM 0 HB THR A 27 15.774 2.267 -32.304 1.00 70.40 H new ATOM 0 HG1 THR A 27 14.533 2.105 -34.876 1.00 54.13 H new ATOM 0 HG21 THR A 27 17.119 1.644 -34.277 1.00 21.13 H new ATOM 0 HG22 THR A 27 16.955 0.287 -33.137 1.00 21.13 H new ATOM 0 HG23 THR A 27 15.982 0.320 -34.628 1.00 21.13 H new ATOM 246 N LEU A 28 14.642 1.527 -30.215 1.00 72.05 N ATOM 247 CA LEU A 28 14.241 2.109 -28.939 1.00 73.22 C ATOM 248 C LEU A 28 13.885 3.583 -29.101 1.00 13.12 C ATOM 249 O LEU A 28 12.898 4.058 -28.539 1.00 63.10 O ATOM 250 CB LEU A 28 15.362 1.953 -27.910 1.00 70.14 C ATOM 251 CG LEU A 28 14.925 1.885 -26.447 1.00 2.34 C ATOM 252 CD1 LEU A 28 15.356 0.568 -25.821 1.00 73.43 C ATOM 253 CD2 LEU A 28 15.495 3.060 -25.665 1.00 44.02 C ATOM 0 H LEU A 28 15.636 1.310 -30.285 1.00 72.05 H new ATOM 0 HA LEU A 28 13.357 1.577 -28.587 1.00 73.22 H new ATOM 0 HB2 LEU A 28 15.919 1.046 -28.144 1.00 70.14 H new ATOM 0 HB3 LEU A 28 16.052 2.789 -28.024 1.00 70.14 H new ATOM 0 HG LEU A 28 13.837 1.942 -26.410 1.00 2.34 H new ATOM 0 HD11 LEU A 28 15.036 0.538 -24.779 1.00 73.43 H new ATOM 0 HD12 LEU A 28 14.900 -0.260 -26.364 1.00 73.43 H new ATOM 0 HD13 LEU A 28 16.441 0.480 -25.870 1.00 73.43 H new ATOM 0 HD21 LEU A 28 15.174 2.995 -24.625 1.00 44.02 H new ATOM 0 HD22 LEU A 28 16.584 3.034 -25.711 1.00 44.02 H new ATOM 0 HD23 LEU A 28 15.136 3.994 -26.098 1.00 44.02 H new ATOM 265 N GLU A 29 14.694 4.301 -29.874 1.00 31.13 N ATOM 266 CA GLU A 29 14.462 5.721 -30.110 1.00 5.01 C ATOM 267 C GLU A 29 13.137 5.943 -30.833 1.00 44.43 C ATOM 268 O GLU A 29 12.395 6.872 -30.517 1.00 13.32 O ATOM 269 CB GLU A 29 15.609 6.318 -30.928 1.00 43.22 C ATOM 270 CG GLU A 29 15.823 7.803 -30.684 1.00 74.30 C ATOM 271 CD GLU A 29 17.226 8.256 -31.038 1.00 14.34 C ATOM 272 OE1 GLU A 29 17.522 8.380 -32.245 1.00 20.54 O ATOM 273 OE2 GLU A 29 18.027 8.488 -30.108 1.00 72.23 O ATOM 0 H GLU A 29 15.515 3.923 -30.347 1.00 31.13 H new ATOM 0 HA GLU A 29 14.416 6.222 -29.143 1.00 5.01 H new ATOM 0 HB2 GLU A 29 16.529 5.783 -30.692 1.00 43.22 H new ATOM 0 HB3 GLU A 29 15.410 6.158 -31.988 1.00 43.22 H new ATOM 0 HG2 GLU A 29 15.102 8.372 -31.272 1.00 74.30 H new ATOM 0 HG3 GLU A 29 15.627 8.027 -29.636 1.00 74.30 H new ATOM 280 N GLN A 30 12.849 5.084 -31.806 1.00 4.52 N ATOM 281 CA GLN A 30 11.615 5.188 -32.575 1.00 60.10 C ATOM 282 C GLN A 30 10.400 4.925 -31.692 1.00 73.40 C ATOM 283 O GLN A 30 9.418 5.668 -31.731 1.00 23.23 O ATOM 284 CB GLN A 30 11.634 4.202 -33.744 1.00 71.04 C ATOM 285 CG GLN A 30 11.443 4.863 -35.100 1.00 62.52 C ATOM 286 CD GLN A 30 12.246 4.189 -36.196 1.00 5.35 C ATOM 287 OE1 GLN A 30 13.378 3.756 -35.975 1.00 11.32 O ATOM 288 NE2 GLN A 30 11.664 4.097 -37.386 1.00 5.35 N ATOM 0 H GLN A 30 13.453 4.309 -32.080 1.00 4.52 H new ATOM 0 HA GLN A 30 11.544 6.203 -32.966 1.00 60.10 H new ATOM 0 HB2 GLN A 30 12.583 3.666 -33.741 1.00 71.04 H new ATOM 0 HB3 GLN A 30 10.848 3.461 -33.596 1.00 71.04 H new ATOM 0 HG2 GLN A 30 10.386 4.842 -35.364 1.00 62.52 H new ATOM 0 HG3 GLN A 30 11.735 5.911 -35.033 1.00 62.52 H new ATOM 0 HE21 GLN A 30 10.725 4.469 -37.524 1.00 5.35 H new ATOM 0 HE22 GLN A 30 12.156 3.654 -38.162 1.00 5.35 H new ATOM 297 N LEU A 31 10.471 3.863 -30.897 1.00 63.42 N ATOM 298 CA LEU A 31 9.376 3.500 -30.004 1.00 3.41 C ATOM 299 C LEU A 31 9.061 4.639 -29.040 1.00 13.43 C ATOM 300 O LEU A 31 7.910 5.059 -28.912 1.00 50.44 O ATOM 301 CB LEU A 31 9.729 2.236 -29.219 1.00 64.30 C ATOM 302 CG LEU A 31 8.861 1.008 -29.498 1.00 44.23 C ATOM 303 CD1 LEU A 31 9.524 -0.249 -28.955 1.00 54.53 C ATOM 304 CD2 LEU A 31 7.476 1.186 -28.895 1.00 52.41 C ATOM 0 H LEU A 31 11.276 3.238 -30.853 1.00 63.42 H new ATOM 0 HA LEU A 31 8.492 3.307 -30.612 1.00 3.41 H new ATOM 0 HB2 LEU A 31 10.767 1.978 -29.431 1.00 64.30 H new ATOM 0 HB3 LEU A 31 9.669 2.465 -28.155 1.00 64.30 H new ATOM 0 HG LEU A 31 8.754 0.900 -30.577 1.00 44.23 H new ATOM 0 HD11 LEU A 31 8.892 -1.112 -29.163 1.00 54.53 H new ATOM 0 HD12 LEU A 31 10.493 -0.385 -29.434 1.00 54.53 H new ATOM 0 HD13 LEU A 31 9.662 -0.151 -27.878 1.00 54.53 H new ATOM 0 HD21 LEU A 31 6.872 0.303 -29.103 1.00 52.41 H new ATOM 0 HD22 LEU A 31 7.563 1.320 -27.817 1.00 52.41 H new ATOM 0 HD23 LEU A 31 6.999 2.063 -29.332 1.00 52.41 H new ATOM 316 N THR A 32 10.091 5.138 -28.363 1.00 72.10 N ATOM 317 CA THR A 32 9.924 6.229 -27.411 1.00 61.03 C ATOM 318 C THR A 32 9.357 7.470 -28.091 1.00 71.23 C ATOM 319 O THR A 32 8.478 8.139 -27.549 1.00 21.55 O ATOM 320 CB THR A 32 11.259 6.593 -26.735 1.00 1.32 C ATOM 321 OG1 THR A 32 11.903 5.409 -26.252 1.00 32.21 O ATOM 322 CG2 THR A 32 11.035 7.561 -25.582 1.00 65.24 C ATOM 0 H THR A 32 11.050 4.803 -28.457 1.00 72.10 H new ATOM 0 HA THR A 32 9.223 5.882 -26.652 1.00 61.03 H new ATOM 0 HB THR A 32 11.896 7.076 -27.476 1.00 1.32 H new ATOM 0 HG1 THR A 32 12.334 4.943 -26.999 1.00 32.21 H new ATOM 0 HG21 THR A 32 11.992 7.804 -25.120 1.00 65.24 H new ATOM 0 HG22 THR A 32 10.572 8.473 -25.958 1.00 65.24 H new ATOM 0 HG23 THR A 32 10.381 7.100 -24.842 1.00 65.24 H new ATOM 330 N GLU A 33 9.865 7.771 -29.282 1.00 71.24 N ATOM 331 CA GLU A 33 9.407 8.933 -30.036 1.00 25.53 C ATOM 332 C GLU A 33 7.905 8.857 -30.294 1.00 23.34 C ATOM 333 O GLU A 33 7.165 9.796 -29.999 1.00 24.54 O ATOM 334 CB GLU A 33 10.160 9.035 -31.364 1.00 74.03 C ATOM 335 CG GLU A 33 10.054 10.402 -32.020 1.00 21.24 C ATOM 336 CD GLU A 33 11.396 11.098 -32.137 1.00 22.23 C ATOM 337 OE1 GLU A 33 11.453 12.321 -31.892 1.00 13.14 O ATOM 338 OE2 GLU A 33 12.389 10.420 -32.473 1.00 63.04 O ATOM 0 H GLU A 33 10.593 7.227 -29.745 1.00 71.24 H new ATOM 0 HA GLU A 33 9.611 9.824 -29.442 1.00 25.53 H new ATOM 0 HB2 GLU A 33 11.211 8.803 -31.195 1.00 74.03 H new ATOM 0 HB3 GLU A 33 9.774 8.281 -32.050 1.00 74.03 H new ATOM 0 HG2 GLU A 33 9.618 10.292 -33.013 1.00 21.24 H new ATOM 0 HG3 GLU A 33 9.374 11.027 -31.441 1.00 21.24 H new ATOM 345 N PHE A 34 7.462 7.733 -30.847 1.00 31.34 N ATOM 346 CA PHE A 34 6.049 7.534 -31.146 1.00 73.21 C ATOM 347 C PHE A 34 5.203 7.645 -29.881 1.00 5.24 C ATOM 348 O PHE A 34 4.148 8.279 -29.879 1.00 50.13 O ATOM 349 CB PHE A 34 5.831 6.167 -31.799 1.00 44.34 C ATOM 350 CG PHE A 34 5.884 6.205 -33.300 1.00 13.10 C ATOM 351 CD1 PHE A 34 7.084 6.412 -33.960 1.00 5.25 C ATOM 352 CD2 PHE A 34 4.732 6.034 -34.051 1.00 10.00 C ATOM 353 CE1 PHE A 34 7.136 6.447 -35.340 1.00 42.23 C ATOM 354 CE2 PHE A 34 4.778 6.068 -35.432 1.00 34.51 C ATOM 355 CZ PHE A 34 5.981 6.276 -36.077 1.00 71.43 C ATOM 0 H PHE A 34 8.061 6.946 -31.097 1.00 31.34 H new ATOM 0 HA PHE A 34 5.738 8.315 -31.840 1.00 73.21 H new ATOM 0 HB2 PHE A 34 6.589 5.474 -31.434 1.00 44.34 H new ATOM 0 HB3 PHE A 34 4.863 5.774 -31.487 1.00 44.34 H new ATOM 0 HD1 PHE A 34 7.990 6.548 -33.389 1.00 5.25 H new ATOM 0 HD2 PHE A 34 3.788 5.872 -33.552 1.00 10.00 H new ATOM 0 HE1 PHE A 34 8.079 6.608 -35.842 1.00 42.23 H new ATOM 0 HE2 PHE A 34 3.873 5.932 -36.006 1.00 34.51 H new ATOM 0 HZ PHE A 34 6.018 6.305 -37.156 1.00 71.43 H new ATOM 365 N PHE A 35 5.675 7.024 -28.805 1.00 22.03 N ATOM 366 CA PHE A 35 4.963 7.051 -27.532 1.00 41.34 C ATOM 367 C PHE A 35 4.687 8.487 -27.094 1.00 71.35 C ATOM 368 O PHE A 35 3.547 8.851 -26.806 1.00 71.34 O ATOM 369 CB PHE A 35 5.771 6.324 -26.456 1.00 2.13 C ATOM 370 CG PHE A 35 5.399 4.877 -26.301 1.00 55.33 C ATOM 371 CD1 PHE A 35 5.025 4.372 -25.066 1.00 41.43 C ATOM 372 CD2 PHE A 35 5.422 4.022 -27.391 1.00 41.12 C ATOM 373 CE1 PHE A 35 4.681 3.042 -24.921 1.00 22.43 C ATOM 374 CE2 PHE A 35 5.079 2.691 -27.252 1.00 31.41 C ATOM 375 CZ PHE A 35 4.709 2.199 -26.015 1.00 2.40 C ATOM 0 H PHE A 35 6.547 6.496 -28.789 1.00 22.03 H new ATOM 0 HA PHE A 35 4.009 6.541 -27.667 1.00 41.34 H new ATOM 0 HB2 PHE A 35 6.831 6.394 -26.700 1.00 2.13 H new ATOM 0 HB3 PHE A 35 5.629 6.831 -25.502 1.00 2.13 H new ATOM 0 HD1 PHE A 35 5.002 5.026 -24.207 1.00 41.43 H new ATOM 0 HD2 PHE A 35 5.711 4.400 -28.360 1.00 41.12 H new ATOM 0 HE1 PHE A 35 4.390 2.661 -23.953 1.00 22.43 H new ATOM 0 HE2 PHE A 35 5.100 2.035 -28.110 1.00 31.41 H new ATOM 0 HZ PHE A 35 4.442 1.158 -25.904 1.00 2.40 H new ATOM 385 N SER A 36 5.739 9.297 -27.046 1.00 43.24 N ATOM 386 CA SER A 36 5.612 10.692 -26.639 1.00 62.34 C ATOM 387 C SER A 36 4.585 11.418 -27.503 1.00 4.20 C ATOM 388 O SER A 36 3.836 12.266 -27.017 1.00 71.52 O ATOM 389 CB SER A 36 6.966 11.398 -26.734 1.00 10.02 C ATOM 390 OG SER A 36 7.155 12.286 -25.646 1.00 11.12 O ATOM 0 H SER A 36 6.689 9.012 -27.284 1.00 43.24 H new ATOM 0 HA SER A 36 5.271 10.714 -25.604 1.00 62.34 H new ATOM 0 HB2 SER A 36 7.766 10.658 -26.746 1.00 10.02 H new ATOM 0 HB3 SER A 36 7.027 11.949 -27.672 1.00 10.02 H new ATOM 0 HG SER A 36 8.028 12.723 -25.729 1.00 11.12 H new ATOM 396 N LYS A 37 4.557 11.080 -28.788 1.00 2.23 N ATOM 397 CA LYS A 37 3.623 11.698 -29.721 1.00 72.43 C ATOM 398 C LYS A 37 2.180 11.434 -29.302 1.00 22.50 C ATOM 399 O LYS A 37 1.311 12.292 -29.457 1.00 70.00 O ATOM 400 CB LYS A 37 3.859 11.167 -31.137 1.00 72.41 C ATOM 401 CG LYS A 37 3.111 11.940 -32.209 1.00 72.13 C ATOM 402 CD LYS A 37 3.138 11.212 -33.543 1.00 12.11 C ATOM 403 CE LYS A 37 4.459 11.424 -34.267 1.00 14.02 C ATOM 404 NZ LYS A 37 4.263 11.636 -35.728 1.00 34.13 N ATOM 0 H LYS A 37 5.171 10.381 -29.207 1.00 2.23 H new ATOM 0 HA LYS A 37 3.795 12.774 -29.709 1.00 72.43 H new ATOM 0 HB2 LYS A 37 4.926 11.200 -31.355 1.00 72.41 H new ATOM 0 HB3 LYS A 37 3.557 10.120 -31.178 1.00 72.41 H new ATOM 0 HG2 LYS A 37 2.078 12.090 -31.896 1.00 72.13 H new ATOM 0 HG3 LYS A 37 3.556 12.928 -32.324 1.00 72.13 H new ATOM 0 HD2 LYS A 37 2.978 10.146 -33.380 1.00 12.11 H new ATOM 0 HD3 LYS A 37 2.318 11.566 -34.168 1.00 12.11 H new ATOM 0 HE2 LYS A 37 4.973 12.286 -33.841 1.00 14.02 H new ATOM 0 HE3 LYS A 37 5.103 10.559 -34.109 1.00 14.02 H new ATOM 0 HZ1 LYS A 37 5.186 11.777 -36.185 1.00 34.13 H new ATOM 0 HZ2 LYS A 37 3.796 10.803 -36.140 1.00 34.13 H new ATOM 0 HZ3 LYS A 37 3.670 12.476 -35.880 1.00 34.13 H new ATOM 418 N HIS A 38 1.932 10.241 -28.769 1.00 4.32 N ATOM 419 CA HIS A 38 0.595 9.865 -28.325 1.00 12.41 C ATOM 420 C HIS A 38 0.662 8.992 -27.076 1.00 64.40 C ATOM 421 O HIS A 38 1.114 7.849 -27.130 1.00 21.41 O ATOM 422 CB HIS A 38 -0.146 9.126 -29.439 1.00 54.23 C ATOM 423 CG HIS A 38 -1.636 9.148 -29.285 1.00 21.44 C ATOM 424 ND1 HIS A 38 -2.372 10.313 -29.250 1.00 34.11 N ATOM 425 CD2 HIS A 38 -2.527 8.137 -29.157 1.00 13.03 C ATOM 426 CE1 HIS A 38 -3.652 10.018 -29.106 1.00 10.34 C ATOM 427 NE2 HIS A 38 -3.773 8.704 -29.047 1.00 11.31 N ATOM 0 H HIS A 38 2.640 9.519 -28.634 1.00 4.32 H new ATOM 0 HA HIS A 38 0.051 10.777 -28.080 1.00 12.41 H new ATOM 0 HB2 HIS A 38 0.118 9.572 -30.398 1.00 54.23 H new ATOM 0 HB3 HIS A 38 0.193 8.090 -29.465 1.00 54.23 H new ATOM 0 HD2 HIS A 38 -2.300 7.081 -29.144 1.00 13.03 H new ATOM 0 HE1 HIS A 38 -4.462 10.730 -29.047 1.00 10.34 H new ATOM 0 HE2 HIS A 38 -4.649 8.194 -28.938 1.00 11.31 H new ATOM 435 N GLY A 39 0.210 9.539 -25.951 1.00 64.55 N ATOM 436 CA GLY A 39 0.229 8.795 -24.705 1.00 45.22 C ATOM 437 C GLY A 39 1.447 9.113 -23.859 1.00 74.44 C ATOM 438 O GLY A 39 2.568 9.163 -24.365 1.00 43.22 O ATOM 0 H GLY A 39 -0.169 10.483 -25.881 1.00 64.55 H new ATOM 0 HA2 GLY A 39 -0.673 9.021 -24.137 1.00 45.22 H new ATOM 0 HA3 GLY A 39 0.210 7.727 -24.923 1.00 45.22 H new ATOM 442 N THR A 40 1.227 9.329 -22.566 1.00 53.02 N ATOM 443 CA THR A 40 2.314 9.646 -21.649 1.00 13.23 C ATOM 444 C THR A 40 2.592 8.483 -20.703 1.00 44.24 C ATOM 445 O THR A 40 1.746 8.116 -19.888 1.00 70.25 O ATOM 446 CB THR A 40 1.998 10.904 -20.818 1.00 4.15 C ATOM 447 OG1 THR A 40 1.340 11.878 -21.634 1.00 54.53 O ATOM 448 CG2 THR A 40 3.271 11.500 -20.234 1.00 54.44 C ATOM 0 H THR A 40 0.305 9.290 -22.130 1.00 53.02 H new ATOM 0 HA THR A 40 3.198 9.834 -22.259 1.00 13.23 H new ATOM 0 HB THR A 40 1.341 10.615 -19.998 1.00 4.15 H new ATOM 0 HG1 THR A 40 1.141 12.674 -21.098 1.00 54.53 H new ATOM 0 HG21 THR A 40 3.023 12.387 -19.651 1.00 54.44 H new ATOM 0 HG22 THR A 40 3.754 10.766 -19.589 1.00 54.44 H new ATOM 0 HG23 THR A 40 3.948 11.774 -21.043 1.00 54.44 H new ATOM 456 N VAL A 41 3.785 7.907 -20.817 1.00 10.02 N ATOM 457 CA VAL A 41 4.176 6.786 -19.971 1.00 1.15 C ATOM 458 C VAL A 41 5.348 7.160 -19.070 1.00 10.00 C ATOM 459 O VAL A 41 6.209 7.951 -19.453 1.00 1.41 O ATOM 460 CB VAL A 41 4.562 5.555 -20.812 1.00 41.33 C ATOM 461 CG1 VAL A 41 3.336 4.969 -21.495 1.00 52.21 C ATOM 462 CG2 VAL A 41 5.627 5.922 -21.834 1.00 44.24 C ATOM 0 H VAL A 41 4.497 8.198 -21.487 1.00 10.02 H new ATOM 0 HA VAL A 41 3.312 6.539 -19.355 1.00 1.15 H new ATOM 0 HB VAL A 41 4.975 4.797 -20.147 1.00 41.33 H new ATOM 0 HG11 VAL A 41 3.628 4.100 -22.085 1.00 52.21 H new ATOM 0 HG12 VAL A 41 2.609 4.668 -20.741 1.00 52.21 H new ATOM 0 HG13 VAL A 41 2.891 5.718 -22.149 1.00 52.21 H new ATOM 0 HG21 VAL A 41 5.888 5.041 -22.420 1.00 44.24 H new ATOM 0 HG22 VAL A 41 5.243 6.698 -22.497 1.00 44.24 H new ATOM 0 HG23 VAL A 41 6.514 6.291 -21.319 1.00 44.24 H new ATOM 472 N GLN A 42 5.374 6.585 -17.872 1.00 35.00 N ATOM 473 CA GLN A 42 6.440 6.859 -16.916 1.00 64.45 C ATOM 474 C GLN A 42 7.734 6.166 -17.332 1.00 42.32 C ATOM 475 O GLN A 42 8.775 6.808 -17.474 1.00 72.31 O ATOM 476 CB GLN A 42 6.030 6.400 -15.516 1.00 73.22 C ATOM 477 CG GLN A 42 6.758 7.129 -14.399 1.00 2.20 C ATOM 478 CD GLN A 42 7.089 6.223 -13.229 1.00 52.52 C ATOM 479 OE1 GLN A 42 7.657 5.145 -13.405 1.00 42.41 O ATOM 480 NE2 GLN A 42 6.734 6.657 -12.025 1.00 51.44 N ATOM 0 H GLN A 42 4.669 5.927 -17.540 1.00 35.00 H new ATOM 0 HA GLN A 42 6.613 7.935 -16.901 1.00 64.45 H new ATOM 0 HB2 GLN A 42 4.957 6.546 -15.395 1.00 73.22 H new ATOM 0 HB3 GLN A 42 6.219 5.330 -15.424 1.00 73.22 H new ATOM 0 HG2 GLN A 42 7.679 7.560 -14.792 1.00 2.20 H new ATOM 0 HG3 GLN A 42 6.142 7.957 -14.049 1.00 2.20 H new ATOM 0 HE21 GLN A 42 6.265 7.557 -11.925 1.00 51.44 H new ATOM 0 HE22 GLN A 42 6.930 6.090 -11.200 1.00 51.44 H new ATOM 489 N ALA A 43 7.661 4.853 -17.525 1.00 44.54 N ATOM 490 CA ALA A 43 8.826 4.075 -17.926 1.00 64.43 C ATOM 491 C ALA A 43 8.410 2.763 -18.583 1.00 61.21 C ATOM 492 O ALA A 43 7.250 2.359 -18.506 1.00 54.12 O ATOM 493 CB ALA A 43 9.720 3.805 -16.725 1.00 2.22 C ATOM 0 H ALA A 43 6.808 4.306 -17.410 1.00 44.54 H new ATOM 0 HA ALA A 43 9.386 4.657 -18.658 1.00 64.43 H new ATOM 0 HB1 ALA A 43 10.586 3.223 -17.040 1.00 2.22 H new ATOM 0 HB2 ALA A 43 10.054 4.752 -16.300 1.00 2.22 H new ATOM 0 HB3 ALA A 43 9.161 3.247 -15.974 1.00 2.22 H new ATOM 499 N VAL A 44 9.365 2.101 -19.230 1.00 14.03 N ATOM 500 CA VAL A 44 9.097 0.834 -19.900 1.00 11.11 C ATOM 501 C VAL A 44 10.301 -0.098 -19.815 1.00 15.42 C ATOM 502 O VAL A 44 11.447 0.350 -19.830 1.00 41.21 O ATOM 503 CB VAL A 44 8.731 1.049 -21.381 1.00 23.33 C ATOM 504 CG1 VAL A 44 9.873 1.731 -22.119 1.00 72.12 C ATOM 505 CG2 VAL A 44 8.376 -0.276 -22.039 1.00 11.04 C ATOM 0 H VAL A 44 10.331 2.421 -19.304 1.00 14.03 H new ATOM 0 HA VAL A 44 8.251 0.377 -19.387 1.00 11.11 H new ATOM 0 HB VAL A 44 7.858 1.699 -21.431 1.00 23.33 H new ATOM 0 HG11 VAL A 44 9.597 1.875 -23.164 1.00 72.12 H new ATOM 0 HG12 VAL A 44 10.076 2.699 -21.661 1.00 72.12 H new ATOM 0 HG13 VAL A 44 10.766 1.109 -22.062 1.00 72.12 H new ATOM 0 HG21 VAL A 44 8.120 -0.106 -23.085 1.00 11.04 H new ATOM 0 HG22 VAL A 44 9.229 -0.952 -21.980 1.00 11.04 H new ATOM 0 HG23 VAL A 44 7.524 -0.721 -21.525 1.00 11.04 H new ATOM 515 N TRP A 45 10.032 -1.395 -19.726 1.00 32.13 N ATOM 516 CA TRP A 45 11.094 -2.391 -19.639 1.00 33.24 C ATOM 517 C TRP A 45 10.582 -3.769 -20.044 1.00 21.12 C ATOM 518 O TRP A 45 9.377 -3.977 -20.183 1.00 72.43 O ATOM 519 CB TRP A 45 11.659 -2.441 -18.218 1.00 43.24 C ATOM 520 CG TRP A 45 13.080 -2.916 -18.161 1.00 12.41 C ATOM 521 CD1 TRP A 45 13.524 -4.115 -17.682 1.00 63.04 C ATOM 522 CD2 TRP A 45 14.241 -2.200 -18.596 1.00 11.43 C ATOM 523 NE1 TRP A 45 14.892 -4.188 -17.793 1.00 51.35 N ATOM 524 CE2 TRP A 45 15.355 -3.026 -18.352 1.00 4.25 C ATOM 525 CE3 TRP A 45 14.448 -0.942 -19.169 1.00 75.33 C ATOM 526 CZ2 TRP A 45 16.655 -2.633 -18.660 1.00 51.25 C ATOM 527 CZ3 TRP A 45 15.738 -0.554 -19.475 1.00 52.51 C ATOM 528 CH2 TRP A 45 16.828 -1.397 -19.221 1.00 50.51 C ATOM 0 H TRP A 45 9.088 -1.782 -19.712 1.00 32.13 H new ATOM 0 HA TRP A 45 11.887 -2.101 -20.328 1.00 33.24 H new ATOM 0 HB2 TRP A 45 11.597 -1.447 -17.775 1.00 43.24 H new ATOM 0 HB3 TRP A 45 11.038 -3.100 -17.611 1.00 43.24 H new ATOM 0 HD1 TRP A 45 12.893 -4.892 -17.276 1.00 63.04 H new ATOM 0 HE1 TRP A 45 15.469 -4.979 -17.506 1.00 51.35 H new ATOM 0 HE3 TRP A 45 13.614 -0.285 -19.369 1.00 75.33 H new ATOM 0 HZ2 TRP A 45 17.497 -3.281 -18.463 1.00 51.25 H new ATOM 0 HZ3 TRP A 45 15.909 0.416 -19.918 1.00 52.51 H new ATOM 0 HH2 TRP A 45 17.824 -1.065 -19.473 1.00 50.51 H new ATOM 539 N ARG A 46 11.505 -4.707 -20.231 1.00 41.20 N ATOM 540 CA ARG A 46 11.146 -6.065 -20.621 1.00 42.12 C ATOM 541 C ARG A 46 12.262 -7.045 -20.268 1.00 54.33 C ATOM 542 O ARG A 46 13.444 -6.720 -20.378 1.00 61.11 O ATOM 543 CB ARG A 46 10.854 -6.127 -22.122 1.00 3.14 C ATOM 544 CG ARG A 46 12.019 -5.676 -22.988 1.00 30.11 C ATOM 545 CD ARG A 46 11.992 -4.173 -23.220 1.00 32.52 C ATOM 546 NE ARG A 46 11.635 -3.838 -24.596 1.00 20.33 N ATOM 547 CZ ARG A 46 12.447 -4.021 -25.631 1.00 22.11 C ATOM 548 NH1 ARG A 46 13.656 -4.534 -25.447 1.00 0.31 N ATOM 549 NH2 ARG A 46 12.050 -3.691 -26.853 1.00 64.34 N ATOM 0 H ARG A 46 12.507 -4.551 -20.119 1.00 41.20 H new ATOM 0 HA ARG A 46 10.249 -6.349 -20.071 1.00 42.12 H new ATOM 0 HB2 ARG A 46 10.588 -7.149 -22.390 1.00 3.14 H new ATOM 0 HB3 ARG A 46 9.987 -5.504 -22.341 1.00 3.14 H new ATOM 0 HG2 ARG A 46 12.958 -5.955 -22.510 1.00 30.11 H new ATOM 0 HG3 ARG A 46 11.983 -6.194 -23.946 1.00 30.11 H new ATOM 0 HD2 ARG A 46 11.277 -3.714 -22.538 1.00 32.52 H new ATOM 0 HD3 ARG A 46 12.970 -3.753 -22.987 1.00 32.52 H new ATOM 0 HE ARG A 46 10.712 -3.442 -24.772 1.00 20.33 H new ATOM 0 HH11 ARG A 46 13.964 -4.789 -24.509 1.00 0.31 H new ATOM 0 HH12 ARG A 46 14.277 -4.673 -26.244 1.00 0.31 H new ATOM 0 HH21 ARG A 46 11.121 -3.296 -26.998 1.00 64.34 H new ATOM 0 HH22 ARG A 46 12.674 -3.832 -27.647 1.00 64.34 H new ATOM 563 N ARG A 47 11.876 -8.244 -19.844 1.00 5.32 N ATOM 564 CA ARG A 47 12.843 -9.270 -19.473 1.00 45.21 C ATOM 565 C ARG A 47 12.281 -10.665 -19.728 1.00 54.03 C ATOM 566 O ARG A 47 11.072 -10.838 -19.887 1.00 30.42 O ATOM 567 CB ARG A 47 13.232 -9.127 -18.000 1.00 52.43 C ATOM 568 CG ARG A 47 12.090 -9.412 -17.039 1.00 32.02 C ATOM 569 CD ARG A 47 11.605 -8.142 -16.357 1.00 74.04 C ATOM 570 NE ARG A 47 12.538 -7.679 -15.334 1.00 60.10 N ATOM 571 CZ ARG A 47 12.643 -8.232 -14.131 1.00 14.23 C ATOM 572 NH1 ARG A 47 11.876 -9.262 -13.802 1.00 32.31 N ATOM 573 NH2 ARG A 47 13.516 -7.754 -13.253 1.00 61.14 N ATOM 0 H ARG A 47 10.901 -8.529 -19.749 1.00 5.32 H new ATOM 0 HA ARG A 47 13.731 -9.136 -20.091 1.00 45.21 H new ATOM 0 HB2 ARG A 47 14.056 -9.806 -17.783 1.00 52.43 H new ATOM 0 HB3 ARG A 47 13.598 -8.115 -17.826 1.00 52.43 H new ATOM 0 HG2 ARG A 47 11.264 -9.874 -17.580 1.00 32.02 H new ATOM 0 HG3 ARG A 47 12.417 -10.129 -16.286 1.00 32.02 H new ATOM 0 HD2 ARG A 47 11.468 -7.360 -17.103 1.00 74.04 H new ATOM 0 HD3 ARG A 47 10.631 -8.324 -15.903 1.00 74.04 H new ATOM 0 HE ARG A 47 13.142 -6.888 -15.555 1.00 60.10 H new ATOM 0 HH11 ARG A 47 11.203 -9.632 -14.473 1.00 32.31 H new ATOM 0 HH12 ARG A 47 11.959 -9.685 -12.877 1.00 32.31 H new ATOM 0 HH21 ARG A 47 14.107 -6.961 -13.502 1.00 61.14 H new ATOM 0 HH22 ARG A 47 13.596 -8.180 -12.329 1.00 61.14 H new ATOM 587 N TYR A 48 13.165 -11.656 -19.767 1.00 54.34 N ATOM 588 CA TYR A 48 12.757 -13.035 -20.006 1.00 54.14 C ATOM 589 C TYR A 48 13.663 -14.008 -19.260 1.00 25.43 C ATOM 590 O TYR A 48 14.872 -14.049 -19.489 1.00 25.32 O ATOM 591 CB TYR A 48 12.782 -13.344 -21.504 1.00 54.03 C ATOM 592 CG TYR A 48 14.062 -12.921 -22.189 1.00 14.43 C ATOM 593 CD1 TYR A 48 15.102 -13.822 -22.378 1.00 71.02 C ATOM 594 CD2 TYR A 48 14.231 -11.619 -22.645 1.00 23.32 C ATOM 595 CE1 TYR A 48 16.274 -13.440 -23.002 1.00 54.34 C ATOM 596 CE2 TYR A 48 15.399 -11.229 -23.271 1.00 52.53 C ATOM 597 CZ TYR A 48 16.417 -12.142 -23.448 1.00 21.15 C ATOM 598 OH TYR A 48 17.582 -11.756 -24.070 1.00 22.42 O ATOM 0 H TYR A 48 14.169 -11.530 -19.636 1.00 54.34 H new ATOM 0 HA TYR A 48 11.740 -13.156 -19.634 1.00 54.14 H new ATOM 0 HB2 TYR A 48 12.640 -14.415 -21.648 1.00 54.03 H new ATOM 0 HB3 TYR A 48 11.941 -12.844 -21.984 1.00 54.03 H new ATOM 0 HD1 TYR A 48 14.993 -14.839 -22.031 1.00 71.02 H new ATOM 0 HD2 TYR A 48 13.436 -10.901 -22.508 1.00 23.32 H new ATOM 0 HE1 TYR A 48 17.073 -14.153 -23.140 1.00 54.34 H new ATOM 0 HE2 TYR A 48 15.514 -10.214 -23.620 1.00 52.53 H new ATOM 0 HH TYR A 48 17.520 -10.811 -24.323 1.00 22.42 H new ATOM 608 N PHE A 49 13.070 -14.792 -18.365 1.00 61.03 N ATOM 609 CA PHE A 49 13.823 -15.766 -17.583 1.00 72.15 C ATOM 610 C PHE A 49 14.071 -17.037 -18.391 1.00 44.52 C ATOM 611 O PHE A 49 13.132 -17.694 -18.838 1.00 63.23 O ATOM 612 CB PHE A 49 13.072 -16.106 -16.294 1.00 61.54 C ATOM 613 CG PHE A 49 13.583 -15.368 -15.090 1.00 63.33 C ATOM 614 CD1 PHE A 49 13.730 -13.991 -15.117 1.00 5.14 C ATOM 615 CD2 PHE A 49 13.917 -16.052 -13.932 1.00 40.03 C ATOM 616 CE1 PHE A 49 14.200 -13.308 -14.010 1.00 62.42 C ATOM 617 CE2 PHE A 49 14.387 -15.375 -12.823 1.00 12.13 C ATOM 618 CZ PHE A 49 14.530 -14.002 -12.862 1.00 53.31 C ATOM 0 H PHE A 49 12.070 -14.772 -18.163 1.00 61.03 H new ATOM 0 HA PHE A 49 14.787 -15.324 -17.329 1.00 72.15 H new ATOM 0 HB2 PHE A 49 12.015 -15.878 -16.428 1.00 61.54 H new ATOM 0 HB3 PHE A 49 13.146 -17.178 -16.112 1.00 61.54 H new ATOM 0 HD1 PHE A 49 13.475 -13.444 -16.013 1.00 5.14 H new ATOM 0 HD2 PHE A 49 13.809 -17.126 -13.896 1.00 40.03 H new ATOM 0 HE1 PHE A 49 14.309 -12.234 -14.043 1.00 62.42 H new ATOM 0 HE2 PHE A 49 14.642 -15.919 -11.926 1.00 12.13 H new ATOM 0 HZ PHE A 49 14.899 -13.472 -11.997 1.00 53.31 H new ATOM 628 N ALA A 50 15.344 -17.375 -18.574 1.00 55.32 N ATOM 629 CA ALA A 50 15.717 -18.566 -19.326 1.00 74.23 C ATOM 630 C ALA A 50 15.672 -19.809 -18.444 1.00 14.02 C ATOM 631 O ALA A 50 15.351 -20.902 -18.909 1.00 55.43 O ATOM 632 CB ALA A 50 17.102 -18.396 -19.931 1.00 63.13 C ATOM 0 H ALA A 50 16.133 -16.840 -18.212 1.00 55.32 H new ATOM 0 HA ALA A 50 14.994 -18.698 -20.131 1.00 74.23 H new ATOM 0 HB1 ALA A 50 17.368 -19.293 -20.490 1.00 63.13 H new ATOM 0 HB2 ALA A 50 17.103 -17.537 -20.602 1.00 63.13 H new ATOM 0 HB3 ALA A 50 17.829 -18.236 -19.135 1.00 63.13 H new ATOM 638 N GLY A 51 15.996 -19.634 -17.166 1.00 64.33 N ATOM 639 CA GLY A 51 15.987 -20.751 -16.239 1.00 44.22 C ATOM 640 C GLY A 51 17.296 -21.515 -16.239 1.00 64.14 C ATOM 641 O GLY A 51 17.678 -22.108 -17.249 1.00 1.03 O ATOM 0 H GLY A 51 16.264 -18.739 -16.756 1.00 64.33 H new ATOM 0 HA2 GLY A 51 15.785 -20.383 -15.233 1.00 44.22 H new ATOM 0 HA3 GLY A 51 15.174 -21.429 -16.500 1.00 44.22 H new ATOM 645 N LYS A 52 17.988 -21.501 -15.105 1.00 20.10 N ATOM 646 CA LYS A 52 19.263 -22.198 -14.977 1.00 14.53 C ATOM 647 C LYS A 52 19.345 -22.942 -13.648 1.00 13.53 C ATOM 648 O LYS A 52 20.325 -22.816 -12.914 1.00 23.53 O ATOM 649 CB LYS A 52 20.423 -21.206 -15.091 1.00 33.02 C ATOM 650 CG LYS A 52 20.570 -20.598 -16.475 1.00 73.51 C ATOM 651 CD LYS A 52 20.531 -19.080 -16.425 1.00 31.32 C ATOM 652 CE LYS A 52 20.623 -18.474 -17.817 1.00 34.02 C ATOM 653 NZ LYS A 52 21.202 -17.103 -17.787 1.00 42.43 N ATOM 0 H LYS A 52 17.687 -21.014 -14.261 1.00 20.10 H new ATOM 0 HA LYS A 52 19.334 -22.926 -15.785 1.00 14.53 H new ATOM 0 HB2 LYS A 52 20.278 -20.406 -14.365 1.00 33.02 H new ATOM 0 HB3 LYS A 52 21.351 -21.713 -14.826 1.00 33.02 H new ATOM 0 HG2 LYS A 52 21.511 -20.924 -16.918 1.00 73.51 H new ATOM 0 HG3 LYS A 52 19.770 -20.962 -17.120 1.00 73.51 H new ATOM 0 HD2 LYS A 52 19.608 -18.754 -15.946 1.00 31.32 H new ATOM 0 HD3 LYS A 52 21.355 -18.714 -15.812 1.00 31.32 H new ATOM 0 HE2 LYS A 52 21.236 -19.114 -18.452 1.00 34.02 H new ATOM 0 HE3 LYS A 52 19.630 -18.439 -18.264 1.00 34.02 H new ATOM 0 HZ1 LYS A 52 21.248 -16.724 -18.755 1.00 42.43 H new ATOM 0 HZ2 LYS A 52 20.603 -16.486 -17.202 1.00 42.43 H new ATOM 0 HZ3 LYS A 52 22.160 -17.139 -17.384 1.00 42.43 H new ATOM 667 N LYS A 53 18.310 -23.717 -13.344 1.00 74.32 N ATOM 668 CA LYS A 53 18.265 -24.484 -12.105 1.00 60.40 C ATOM 669 C LYS A 53 17.493 -25.785 -12.298 1.00 35.41 C ATOM 670 O LYS A 53 16.984 -26.061 -13.385 1.00 31.03 O ATOM 671 CB LYS A 53 17.620 -23.656 -10.991 1.00 61.24 C ATOM 672 CG LYS A 53 16.208 -23.198 -11.314 1.00 23.22 C ATOM 673 CD LYS A 53 16.122 -21.684 -11.411 1.00 72.33 C ATOM 674 CE LYS A 53 14.934 -21.247 -12.255 1.00 64.14 C ATOM 675 NZ LYS A 53 13.981 -20.407 -11.479 1.00 3.22 N ATOM 0 H LYS A 53 17.490 -23.831 -13.940 1.00 74.32 H new ATOM 0 HA LYS A 53 19.289 -24.728 -11.821 1.00 60.40 H new ATOM 0 HB2 LYS A 53 17.601 -24.247 -10.075 1.00 61.24 H new ATOM 0 HB3 LYS A 53 18.240 -22.782 -10.794 1.00 61.24 H new ATOM 0 HG2 LYS A 53 15.887 -23.643 -12.256 1.00 23.22 H new ATOM 0 HG3 LYS A 53 15.524 -23.554 -10.544 1.00 23.22 H new ATOM 0 HD2 LYS A 53 16.036 -21.258 -10.411 1.00 72.33 H new ATOM 0 HD3 LYS A 53 17.042 -21.293 -11.846 1.00 72.33 H new ATOM 0 HE2 LYS A 53 15.290 -20.688 -13.120 1.00 64.14 H new ATOM 0 HE3 LYS A 53 14.416 -22.127 -12.635 1.00 64.14 H new ATOM 0 HZ1 LYS A 53 13.186 -20.130 -12.089 1.00 3.22 H new ATOM 0 HZ2 LYS A 53 13.622 -20.949 -10.667 1.00 3.22 H new ATOM 0 HZ3 LYS A 53 14.469 -19.554 -11.137 1.00 3.22 H new ATOM 689 N ASP A 54 17.408 -26.580 -11.237 1.00 74.41 N ATOM 690 CA ASP A 54 16.694 -27.851 -11.289 1.00 65.43 C ATOM 691 C ASP A 54 15.293 -27.713 -10.704 1.00 12.55 C ATOM 692 O ASP A 54 14.723 -28.678 -10.196 1.00 70.12 O ATOM 693 CB ASP A 54 17.473 -28.929 -10.532 1.00 54.41 C ATOM 694 CG ASP A 54 17.198 -30.322 -11.063 1.00 1.02 C ATOM 695 OD1 ASP A 54 16.510 -31.098 -10.366 1.00 43.22 O ATOM 696 OD2 ASP A 54 17.670 -30.636 -12.175 1.00 62.41 O ATOM 0 H ASP A 54 17.824 -26.367 -10.331 1.00 74.41 H new ATOM 0 HA ASP A 54 16.603 -28.145 -12.335 1.00 65.43 H new ATOM 0 HB2 ASP A 54 18.540 -28.720 -10.604 1.00 54.41 H new ATOM 0 HB3 ASP A 54 17.211 -28.888 -9.475 1.00 54.41 H new ATOM 701 N ALA A 55 14.743 -26.505 -10.777 1.00 4.43 N ATOM 702 CA ALA A 55 13.409 -26.240 -10.255 1.00 15.43 C ATOM 703 C ALA A 55 12.435 -25.908 -11.380 1.00 52.34 C ATOM 704 O ALA A 55 12.830 -25.537 -12.486 1.00 14.30 O ATOM 705 CB ALA A 55 13.454 -25.105 -9.242 1.00 35.44 C ATOM 0 H ALA A 55 15.202 -25.694 -11.193 1.00 4.43 H new ATOM 0 HA ALA A 55 13.055 -27.143 -9.758 1.00 15.43 H new ATOM 0 HB1 ALA A 55 12.450 -24.918 -8.860 1.00 35.44 H new ATOM 0 HB2 ALA A 55 14.111 -25.380 -8.417 1.00 35.44 H new ATOM 0 HB3 ALA A 55 13.833 -24.203 -9.723 1.00 35.44 H new ATOM 711 N PRO A 56 11.131 -26.044 -11.096 1.00 22.13 N ATOM 712 CA PRO A 56 10.074 -25.764 -12.072 1.00 2.41 C ATOM 713 C PRO A 56 9.951 -24.276 -12.382 1.00 2.32 C ATOM 714 O PRO A 56 10.517 -23.425 -11.695 1.00 31.14 O ATOM 715 CB PRO A 56 8.807 -26.272 -11.379 1.00 45.00 C ATOM 716 CG PRO A 56 9.117 -26.200 -9.924 1.00 10.04 C ATOM 717 CD PRO A 56 10.589 -26.482 -9.799 1.00 33.13 C ATOM 0 HA PRO A 56 10.270 -26.240 -13.033 1.00 2.41 H new ATOM 0 HB2 PRO A 56 7.944 -25.656 -11.631 1.00 45.00 H new ATOM 0 HB3 PRO A 56 8.571 -27.292 -11.684 1.00 45.00 H new ATOM 0 HG2 PRO A 56 8.873 -25.217 -9.521 1.00 10.04 H new ATOM 0 HG3 PRO A 56 8.531 -26.929 -9.364 1.00 10.04 H new ATOM 0 HD2 PRO A 56 11.035 -25.931 -8.971 1.00 33.13 H new ATOM 0 HD3 PRO A 56 10.782 -27.540 -9.619 1.00 33.13 H new ATOM 725 N PRO A 57 9.195 -23.951 -13.441 1.00 35.52 N ATOM 726 CA PRO A 57 8.979 -22.565 -13.865 1.00 10.11 C ATOM 727 C PRO A 57 8.111 -21.787 -12.882 1.00 54.55 C ATOM 728 O PRO A 57 6.885 -21.899 -12.900 1.00 25.24 O ATOM 729 CB PRO A 57 8.264 -22.713 -15.210 1.00 53.41 C ATOM 730 CG PRO A 57 7.593 -24.041 -15.139 1.00 23.12 C ATOM 731 CD PRO A 57 8.491 -24.914 -14.305 1.00 54.53 C ATOM 0 HA PRO A 57 9.913 -22.006 -13.923 1.00 10.11 H new ATOM 0 HB2 PRO A 57 7.541 -21.912 -15.364 1.00 53.41 H new ATOM 0 HB3 PRO A 57 8.969 -22.670 -16.040 1.00 53.41 H new ATOM 0 HG2 PRO A 57 6.604 -23.955 -14.689 1.00 23.12 H new ATOM 0 HG3 PRO A 57 7.454 -24.462 -16.135 1.00 23.12 H new ATOM 0 HD2 PRO A 57 7.920 -25.636 -13.721 1.00 54.53 H new ATOM 0 HD3 PRO A 57 9.186 -25.482 -14.923 1.00 54.53 H new ATOM 739 N GLU A 58 8.754 -20.997 -12.028 1.00 11.01 N ATOM 740 CA GLU A 58 8.038 -20.200 -11.038 1.00 64.41 C ATOM 741 C GLU A 58 7.739 -18.804 -11.577 1.00 30.34 C ATOM 742 O GLU A 58 6.657 -18.261 -11.356 1.00 75.20 O ATOM 743 CB GLU A 58 8.854 -20.097 -9.748 1.00 21.13 C ATOM 744 CG GLU A 58 8.011 -19.815 -8.516 1.00 10.44 C ATOM 745 CD GLU A 58 8.125 -20.905 -7.468 1.00 4.21 C ATOM 746 OE1 GLU A 58 9.098 -20.874 -6.685 1.00 32.33 O ATOM 747 OE2 GLU A 58 7.244 -21.788 -7.431 1.00 74.11 O ATOM 0 H GLU A 58 9.768 -20.892 -12.001 1.00 11.01 H new ATOM 0 HA GLU A 58 7.092 -20.698 -10.823 1.00 64.41 H new ATOM 0 HB2 GLU A 58 9.401 -21.028 -9.599 1.00 21.13 H new ATOM 0 HB3 GLU A 58 9.596 -19.306 -9.859 1.00 21.13 H new ATOM 0 HG2 GLU A 58 8.318 -18.864 -8.080 1.00 10.44 H new ATOM 0 HG3 GLU A 58 6.967 -19.708 -8.811 1.00 10.44 H new ATOM 754 N SER A 59 8.707 -18.229 -12.283 1.00 54.04 N ATOM 755 CA SER A 59 8.549 -16.895 -12.850 1.00 43.40 C ATOM 756 C SER A 59 7.934 -16.966 -14.244 1.00 52.52 C ATOM 757 O SER A 59 7.887 -18.030 -14.860 1.00 73.34 O ATOM 758 CB SER A 59 9.901 -16.182 -12.913 1.00 4.42 C ATOM 759 OG SER A 59 10.798 -16.702 -11.947 1.00 31.24 O ATOM 0 H SER A 59 9.608 -18.666 -12.476 1.00 54.04 H new ATOM 0 HA SER A 59 7.877 -16.330 -12.204 1.00 43.40 H new ATOM 0 HB2 SER A 59 10.329 -16.295 -13.909 1.00 4.42 H new ATOM 0 HB3 SER A 59 9.761 -15.114 -12.746 1.00 4.42 H new ATOM 0 HG SER A 59 11.655 -16.231 -12.009 1.00 31.24 H new ATOM 765 N ARG A 60 7.463 -15.824 -14.735 1.00 41.31 N ATOM 766 CA ARG A 60 6.849 -15.755 -16.056 1.00 21.34 C ATOM 767 C ARG A 60 7.811 -15.147 -17.072 1.00 24.13 C ATOM 768 O ARG A 60 8.237 -14.000 -16.932 1.00 20.04 O ATOM 769 CB ARG A 60 5.561 -14.932 -16.001 1.00 1.44 C ATOM 770 CG ARG A 60 4.460 -15.577 -15.175 1.00 4.25 C ATOM 771 CD ARG A 60 3.879 -16.795 -15.876 1.00 11.55 C ATOM 772 NE ARG A 60 3.402 -17.797 -14.926 1.00 41.23 N ATOM 773 CZ ARG A 60 2.886 -18.966 -15.289 1.00 51.31 C ATOM 774 NH1 ARG A 60 2.781 -19.278 -16.573 1.00 52.24 N ATOM 775 NH2 ARG A 60 2.474 -19.826 -14.366 1.00 50.52 N ATOM 0 H ARG A 60 7.495 -14.934 -14.238 1.00 41.31 H new ATOM 0 HA ARG A 60 6.610 -16.771 -16.371 1.00 21.34 H new ATOM 0 HB2 ARG A 60 5.786 -13.949 -15.587 1.00 1.44 H new ATOM 0 HB3 ARG A 60 5.197 -14.775 -17.016 1.00 1.44 H new ATOM 0 HG2 ARG A 60 4.857 -15.870 -14.203 1.00 4.25 H new ATOM 0 HG3 ARG A 60 3.669 -14.850 -14.990 1.00 4.25 H new ATOM 0 HD2 ARG A 60 3.056 -16.485 -16.520 1.00 11.55 H new ATOM 0 HD3 ARG A 60 4.638 -17.239 -16.521 1.00 11.55 H new ATOM 0 HE ARG A 60 3.469 -17.588 -13.930 1.00 41.23 H new ATOM 0 HH11 ARG A 60 3.097 -18.620 -17.285 1.00 52.24 H new ATOM 0 HH12 ARG A 60 2.384 -20.176 -16.849 1.00 52.24 H new ATOM 0 HH21 ARG A 60 2.553 -19.590 -13.377 1.00 50.52 H new ATOM 0 HH22 ARG A 60 2.078 -20.723 -14.646 1.00 50.52 H new ATOM 789 N THR A 61 8.152 -15.924 -18.096 1.00 15.13 N ATOM 790 CA THR A 61 9.064 -15.463 -19.134 1.00 64.42 C ATOM 791 C THR A 61 8.360 -15.369 -20.483 1.00 1.32 C ATOM 792 O THR A 61 8.087 -16.383 -21.125 1.00 15.11 O ATOM 793 CB THR A 61 10.281 -16.399 -19.268 1.00 1.52 C ATOM 794 OG1 THR A 61 11.031 -16.062 -20.440 1.00 70.35 O ATOM 795 CG2 THR A 61 9.840 -17.853 -19.341 1.00 45.31 C ATOM 0 H THR A 61 7.810 -16.876 -18.228 1.00 15.13 H new ATOM 0 HA THR A 61 9.407 -14.472 -18.836 1.00 64.42 H new ATOM 0 HB THR A 61 10.909 -16.271 -18.387 1.00 1.52 H new ATOM 0 HG1 THR A 61 11.934 -16.436 -20.369 1.00 70.35 H new ATOM 0 HG21 THR A 61 10.716 -18.495 -19.435 1.00 45.31 H new ATOM 0 HG22 THR A 61 9.295 -18.114 -18.434 1.00 45.31 H new ATOM 0 HG23 THR A 61 9.192 -17.994 -20.206 1.00 45.31 H new ATOM 803 N LYS A 62 8.069 -14.144 -20.908 1.00 61.03 N ATOM 804 CA LYS A 62 7.398 -13.916 -22.182 1.00 41.55 C ATOM 805 C LYS A 62 7.991 -12.708 -22.901 1.00 3.21 C ATOM 806 O LYS A 62 8.598 -11.828 -22.290 1.00 24.22 O ATOM 807 CB LYS A 62 5.898 -13.705 -21.962 1.00 23.20 C ATOM 808 CG LYS A 62 5.577 -12.829 -20.764 1.00 13.13 C ATOM 809 CD LYS A 62 5.136 -13.658 -19.569 1.00 4.11 C ATOM 810 CE LYS A 62 3.624 -13.811 -19.524 1.00 72.51 C ATOM 811 NZ LYS A 62 3.217 -15.210 -19.213 1.00 2.10 N ATOM 0 H LYS A 62 8.287 -13.294 -20.388 1.00 61.03 H new ATOM 0 HA LYS A 62 7.547 -14.798 -22.805 1.00 41.55 H new ATOM 0 HB2 LYS A 62 5.468 -13.255 -22.857 1.00 23.20 H new ATOM 0 HB3 LYS A 62 5.418 -14.675 -21.831 1.00 23.20 H new ATOM 0 HG2 LYS A 62 6.455 -12.241 -20.496 1.00 13.13 H new ATOM 0 HG3 LYS A 62 4.790 -12.123 -21.029 1.00 13.13 H new ATOM 0 HD2 LYS A 62 5.601 -14.643 -19.617 1.00 4.11 H new ATOM 0 HD3 LYS A 62 5.482 -13.186 -18.650 1.00 4.11 H new ATOM 0 HE2 LYS A 62 3.213 -13.138 -18.772 1.00 72.51 H new ATOM 0 HE3 LYS A 62 3.200 -13.514 -20.483 1.00 72.51 H new ATOM 0 HZ1 LYS A 62 2.228 -15.221 -18.893 1.00 2.10 H new ATOM 0 HZ2 LYS A 62 3.311 -15.797 -20.066 1.00 2.10 H new ATOM 0 HZ3 LYS A 62 3.828 -15.590 -18.462 1.00 2.10 H new ATOM 825 N PRO A 63 7.812 -12.661 -24.229 1.00 73.43 N ATOM 826 CA PRO A 63 8.320 -11.565 -25.059 1.00 62.00 C ATOM 827 C PRO A 63 7.574 -10.258 -24.814 1.00 33.21 C ATOM 828 O PRO A 63 8.053 -9.182 -25.171 1.00 22.14 O ATOM 829 CB PRO A 63 8.078 -12.059 -26.487 1.00 60.44 C ATOM 830 CG PRO A 63 6.946 -13.021 -26.369 1.00 0.53 C ATOM 831 CD PRO A 63 7.098 -13.675 -25.024 1.00 31.34 C ATOM 0 HA PRO A 63 9.364 -11.341 -24.842 1.00 62.00 H new ATOM 0 HB2 PRO A 63 7.828 -11.234 -27.154 1.00 60.44 H new ATOM 0 HB3 PRO A 63 8.966 -12.541 -26.895 1.00 60.44 H new ATOM 0 HG2 PRO A 63 5.988 -12.508 -26.447 1.00 0.53 H new ATOM 0 HG3 PRO A 63 6.978 -13.761 -27.169 1.00 0.53 H new ATOM 0 HD2 PRO A 63 6.131 -13.921 -24.586 1.00 31.34 H new ATOM 0 HD3 PRO A 63 7.664 -14.604 -25.091 1.00 31.34 H new ATOM 839 N SER A 64 6.398 -10.359 -24.203 1.00 32.45 N ATOM 840 CA SER A 64 5.583 -9.185 -23.913 1.00 24.04 C ATOM 841 C SER A 64 6.395 -8.133 -23.163 1.00 50.32 C ATOM 842 O SER A 64 7.316 -8.459 -22.415 1.00 21.33 O ATOM 843 CB SER A 64 4.356 -9.580 -23.090 1.00 33.13 C ATOM 844 OG SER A 64 4.014 -10.939 -23.304 1.00 12.52 O ATOM 0 H SER A 64 5.988 -11.242 -23.899 1.00 32.45 H new ATOM 0 HA SER A 64 5.254 -8.759 -24.861 1.00 24.04 H new ATOM 0 HB2 SER A 64 4.556 -9.414 -22.031 1.00 33.13 H new ATOM 0 HB3 SER A 64 3.513 -8.943 -23.359 1.00 33.13 H new ATOM 0 HG SER A 64 3.228 -11.167 -22.765 1.00 12.52 H new ATOM 850 N VAL A 65 6.046 -6.867 -23.370 1.00 52.15 N ATOM 851 CA VAL A 65 6.740 -5.765 -22.715 1.00 31.14 C ATOM 852 C VAL A 65 5.884 -5.156 -21.610 1.00 31.44 C ATOM 853 O VAL A 65 4.658 -5.109 -21.714 1.00 40.21 O ATOM 854 CB VAL A 65 7.120 -4.663 -23.721 1.00 13.31 C ATOM 855 CG1 VAL A 65 8.204 -5.154 -24.668 1.00 20.24 C ATOM 856 CG2 VAL A 65 5.893 -4.203 -24.495 1.00 4.45 C ATOM 0 H VAL A 65 5.286 -6.579 -23.987 1.00 52.15 H new ATOM 0 HA VAL A 65 7.650 -6.178 -22.280 1.00 31.14 H new ATOM 0 HB VAL A 65 7.514 -3.811 -23.168 1.00 13.31 H new ATOM 0 HG11 VAL A 65 8.459 -4.361 -25.371 1.00 20.24 H new ATOM 0 HG12 VAL A 65 9.090 -5.430 -24.096 1.00 20.24 H new ATOM 0 HG13 VAL A 65 7.841 -6.023 -25.217 1.00 20.24 H new ATOM 0 HG21 VAL A 65 6.179 -3.424 -25.202 1.00 4.45 H new ATOM 0 HG22 VAL A 65 5.468 -5.047 -25.038 1.00 4.45 H new ATOM 0 HG23 VAL A 65 5.152 -3.808 -23.800 1.00 4.45 H new ATOM 866 N PHE A 66 6.538 -4.691 -20.551 1.00 31.14 N ATOM 867 CA PHE A 66 5.837 -4.085 -19.425 1.00 31.04 C ATOM 868 C PHE A 66 5.982 -2.566 -19.447 1.00 62.23 C ATOM 869 O PHE A 66 7.086 -2.039 -19.586 1.00 52.23 O ATOM 870 CB PHE A 66 6.374 -4.640 -18.104 1.00 35.33 C ATOM 871 CG PHE A 66 6.507 -6.136 -18.092 1.00 72.34 C ATOM 872 CD1 PHE A 66 7.755 -6.733 -18.029 1.00 25.43 C ATOM 873 CD2 PHE A 66 5.383 -6.946 -18.146 1.00 4.41 C ATOM 874 CE1 PHE A 66 7.882 -8.110 -18.018 1.00 13.22 C ATOM 875 CE2 PHE A 66 5.503 -8.322 -18.135 1.00 23.42 C ATOM 876 CZ PHE A 66 6.754 -8.905 -18.072 1.00 30.21 C ATOM 0 H PHE A 66 7.552 -4.722 -20.449 1.00 31.14 H new ATOM 0 HA PHE A 66 4.779 -4.333 -19.513 1.00 31.04 H new ATOM 0 HB2 PHE A 66 7.348 -4.195 -17.902 1.00 35.33 H new ATOM 0 HB3 PHE A 66 5.710 -4.336 -17.295 1.00 35.33 H new ATOM 0 HD1 PHE A 66 8.640 -6.115 -17.988 1.00 25.43 H new ATOM 0 HD2 PHE A 66 4.403 -6.496 -18.197 1.00 4.41 H new ATOM 0 HE1 PHE A 66 8.861 -8.563 -17.967 1.00 13.22 H new ATOM 0 HE2 PHE A 66 4.619 -8.942 -18.176 1.00 23.42 H new ATOM 0 HZ PHE A 66 6.850 -9.981 -18.065 1.00 30.21 H new ATOM 886 N VAL A 67 4.859 -1.868 -19.310 1.00 62.22 N ATOM 887 CA VAL A 67 4.860 -0.410 -19.314 1.00 60.22 C ATOM 888 C VAL A 67 4.148 0.143 -18.085 1.00 3.11 C ATOM 889 O VAL A 67 3.121 -0.384 -17.659 1.00 74.31 O ATOM 890 CB VAL A 67 4.183 0.148 -20.580 1.00 63.13 C ATOM 891 CG1 VAL A 67 4.981 -0.225 -21.821 1.00 33.02 C ATOM 892 CG2 VAL A 67 2.752 -0.356 -20.685 1.00 71.31 C ATOM 0 H VAL A 67 3.937 -2.289 -19.195 1.00 62.22 H new ATOM 0 HA VAL A 67 5.903 -0.094 -19.299 1.00 60.22 H new ATOM 0 HB VAL A 67 4.156 1.235 -20.508 1.00 63.13 H new ATOM 0 HG11 VAL A 67 4.488 0.178 -22.706 1.00 33.02 H new ATOM 0 HG12 VAL A 67 5.986 0.190 -21.746 1.00 33.02 H new ATOM 0 HG13 VAL A 67 5.042 -1.310 -21.902 1.00 33.02 H new ATOM 0 HG21 VAL A 67 2.289 0.048 -21.585 1.00 71.31 H new ATOM 0 HG22 VAL A 67 2.752 -1.445 -20.735 1.00 71.31 H new ATOM 0 HG23 VAL A 67 2.187 -0.033 -19.810 1.00 71.31 H new ATOM 902 N VAL A 68 4.702 1.211 -17.518 1.00 35.41 N ATOM 903 CA VAL A 68 4.119 1.838 -16.338 1.00 20.35 C ATOM 904 C VAL A 68 3.817 3.310 -16.590 1.00 51.42 C ATOM 905 O VAL A 68 4.723 4.108 -16.833 1.00 14.44 O ATOM 906 CB VAL A 68 5.054 1.718 -15.119 1.00 40.34 C ATOM 907 CG1 VAL A 68 4.369 2.244 -13.867 1.00 22.31 C ATOM 908 CG2 VAL A 68 5.499 0.276 -14.929 1.00 14.12 C ATOM 0 H VAL A 68 5.553 1.659 -17.857 1.00 35.41 H new ATOM 0 HA VAL A 68 3.189 1.311 -16.127 1.00 20.35 H new ATOM 0 HB VAL A 68 5.940 2.326 -15.301 1.00 40.34 H new ATOM 0 HG11 VAL A 68 5.044 2.151 -13.016 1.00 22.31 H new ATOM 0 HG12 VAL A 68 4.106 3.292 -14.009 1.00 22.31 H new ATOM 0 HG13 VAL A 68 3.465 1.666 -13.677 1.00 22.31 H new ATOM 0 HG21 VAL A 68 6.159 0.210 -14.064 1.00 14.12 H new ATOM 0 HG22 VAL A 68 4.626 -0.356 -14.769 1.00 14.12 H new ATOM 0 HG23 VAL A 68 6.032 -0.060 -15.818 1.00 14.12 H new ATOM 918 N PHE A 69 2.537 3.665 -16.532 1.00 25.15 N ATOM 919 CA PHE A 69 2.115 5.043 -16.754 1.00 72.45 C ATOM 920 C PHE A 69 2.232 5.862 -15.472 1.00 72.43 C ATOM 921 O PHE A 69 2.069 5.337 -14.371 1.00 54.44 O ATOM 922 CB PHE A 69 0.674 5.080 -17.267 1.00 74.30 C ATOM 923 CG PHE A 69 0.484 4.364 -18.574 1.00 15.12 C ATOM 924 CD1 PHE A 69 0.401 5.073 -19.761 1.00 74.14 C ATOM 925 CD2 PHE A 69 0.387 2.982 -18.614 1.00 42.44 C ATOM 926 CE1 PHE A 69 0.226 4.417 -20.966 1.00 1.43 C ATOM 927 CE2 PHE A 69 0.213 2.321 -19.816 1.00 1.53 C ATOM 928 CZ PHE A 69 0.131 3.040 -20.993 1.00 21.24 C ATOM 0 H PHE A 69 1.775 3.017 -16.333 1.00 25.15 H new ATOM 0 HA PHE A 69 2.773 5.482 -17.505 1.00 72.45 H new ATOM 0 HB2 PHE A 69 0.019 4.634 -16.519 1.00 74.30 H new ATOM 0 HB3 PHE A 69 0.365 6.119 -17.383 1.00 74.30 H new ATOM 0 HD1 PHE A 69 0.474 6.150 -19.745 1.00 74.14 H new ATOM 0 HD2 PHE A 69 0.448 2.415 -17.697 1.00 42.44 H new ATOM 0 HE1 PHE A 69 0.164 4.981 -21.885 1.00 1.43 H new ATOM 0 HE2 PHE A 69 0.141 1.244 -19.835 1.00 1.53 H new ATOM 0 HZ PHE A 69 -0.007 2.526 -21.933 1.00 21.24 H new ATOM 938 N ASN A 70 2.516 7.151 -15.625 1.00 24.13 N ATOM 939 CA ASN A 70 2.657 8.043 -14.480 1.00 13.23 C ATOM 940 C ASN A 70 1.297 8.572 -14.032 1.00 63.31 C ATOM 941 O ASN A 70 1.025 8.679 -12.837 1.00 14.15 O ATOM 942 CB ASN A 70 3.581 9.212 -14.828 1.00 23.44 C ATOM 943 CG ASN A 70 3.639 10.251 -13.725 1.00 1.20 C ATOM 944 OD1 ASN A 70 3.441 11.442 -13.968 1.00 65.21 O ATOM 945 ND2 ASN A 70 3.911 9.804 -12.504 1.00 44.45 N ATOM 0 H ASN A 70 2.653 7.601 -16.530 1.00 24.13 H new ATOM 0 HA ASN A 70 3.095 7.474 -13.660 1.00 13.23 H new ATOM 0 HB2 ASN A 70 4.585 8.833 -15.020 1.00 23.44 H new ATOM 0 HB3 ASN A 70 3.236 9.682 -15.749 1.00 23.44 H new ATOM 0 HD21 ASN A 70 3.963 10.457 -11.722 1.00 44.45 H new ATOM 0 HD22 ASN A 70 4.068 8.808 -12.349 1.00 44.45 H new ATOM 952 N SER A 71 0.448 8.900 -15.000 1.00 72.44 N ATOM 953 CA SER A 71 -0.882 9.420 -14.707 1.00 34.24 C ATOM 954 C SER A 71 -1.856 8.284 -14.408 1.00 73.14 C ATOM 955 O SER A 71 -1.955 7.321 -15.168 1.00 71.43 O ATOM 956 CB SER A 71 -1.398 10.254 -15.881 1.00 62.42 C ATOM 957 OG SER A 71 -0.390 11.119 -16.373 1.00 43.34 O ATOM 0 H SER A 71 0.658 8.815 -15.995 1.00 72.44 H new ATOM 0 HA SER A 71 -0.810 10.055 -13.824 1.00 34.24 H new ATOM 0 HB2 SER A 71 -1.737 9.594 -16.679 1.00 62.42 H new ATOM 0 HB3 SER A 71 -2.261 10.839 -15.564 1.00 62.42 H new ATOM 0 HG SER A 71 -0.744 11.640 -17.124 1.00 43.34 H new ATOM 963 N SER A 72 -2.574 8.405 -13.296 1.00 62.21 N ATOM 964 CA SER A 72 -3.538 7.387 -12.894 1.00 2.21 C ATOM 965 C SER A 72 -4.635 7.234 -13.943 1.00 32.24 C ATOM 966 O SER A 72 -4.959 6.122 -14.359 1.00 45.12 O ATOM 967 CB SER A 72 -4.156 7.746 -11.541 1.00 42.32 C ATOM 968 OG SER A 72 -4.304 9.149 -11.405 1.00 33.14 O ATOM 0 H SER A 72 -2.507 9.198 -12.657 1.00 62.21 H new ATOM 0 HA SER A 72 -3.011 6.437 -12.804 1.00 2.21 H new ATOM 0 HB2 SER A 72 -5.128 7.263 -11.442 1.00 42.32 H new ATOM 0 HB3 SER A 72 -3.527 7.364 -10.737 1.00 42.32 H new ATOM 0 HG SER A 72 -4.702 9.353 -10.533 1.00 33.14 H new ATOM 974 N GLU A 73 -5.204 8.359 -14.364 1.00 42.20 N ATOM 975 CA GLU A 73 -6.266 8.350 -15.363 1.00 63.04 C ATOM 976 C GLU A 73 -5.796 7.679 -16.651 1.00 25.34 C ATOM 977 O GLU A 73 -6.396 6.709 -17.111 1.00 73.25 O ATOM 978 CB GLU A 73 -6.730 9.778 -15.660 1.00 22.52 C ATOM 979 CG GLU A 73 -8.160 9.860 -16.167 1.00 63.43 C ATOM 980 CD GLU A 73 -8.287 10.706 -17.419 1.00 63.22 C ATOM 981 OE1 GLU A 73 -8.605 11.907 -17.293 1.00 34.21 O ATOM 982 OE2 GLU A 73 -8.068 10.168 -18.524 1.00 61.34 O ATOM 0 H GLU A 73 -4.948 9.288 -14.029 1.00 42.20 H new ATOM 0 HA GLU A 73 -7.103 7.780 -14.960 1.00 63.04 H new ATOM 0 HB2 GLU A 73 -6.640 10.376 -14.753 1.00 22.52 H new ATOM 0 HB3 GLU A 73 -6.065 10.221 -16.401 1.00 22.52 H new ATOM 0 HG2 GLU A 73 -8.527 8.854 -16.374 1.00 63.43 H new ATOM 0 HG3 GLU A 73 -8.795 10.277 -15.385 1.00 63.43 H new ATOM 989 N GLU A 74 -4.718 8.203 -17.225 1.00 43.53 N ATOM 990 CA GLU A 74 -4.168 7.656 -18.460 1.00 31.11 C ATOM 991 C GLU A 74 -3.774 6.193 -18.278 1.00 75.24 C ATOM 992 O GLU A 74 -3.898 5.387 -19.200 1.00 73.20 O ATOM 993 CB GLU A 74 -2.953 8.470 -18.909 1.00 1.43 C ATOM 994 CG GLU A 74 -2.625 8.312 -20.384 1.00 14.40 C ATOM 995 CD GLU A 74 -2.545 9.642 -21.109 1.00 74.54 C ATOM 996 OE1 GLU A 74 -1.984 10.598 -20.535 1.00 24.54 O ATOM 997 OE2 GLU A 74 -3.044 9.726 -22.251 1.00 13.11 O ATOM 0 H GLU A 74 -4.208 9.005 -16.855 1.00 43.53 H new ATOM 0 HA GLU A 74 -4.939 7.715 -19.228 1.00 31.11 H new ATOM 0 HB2 GLU A 74 -3.134 9.524 -18.697 1.00 1.43 H new ATOM 0 HB3 GLU A 74 -2.087 8.170 -18.319 1.00 1.43 H new ATOM 0 HG2 GLU A 74 -1.675 7.788 -20.487 1.00 14.40 H new ATOM 0 HG3 GLU A 74 -3.385 7.690 -20.857 1.00 14.40 H new ATOM 1004 N ALA A 75 -3.299 5.858 -17.083 1.00 71.03 N ATOM 1005 CA ALA A 75 -2.889 4.493 -16.780 1.00 24.24 C ATOM 1006 C ALA A 75 -4.048 3.519 -16.956 1.00 73.54 C ATOM 1007 O ALA A 75 -3.949 2.553 -17.713 1.00 13.13 O ATOM 1008 CB ALA A 75 -2.338 4.410 -15.364 1.00 33.25 C ATOM 0 H ALA A 75 -3.189 6.513 -16.309 1.00 71.03 H new ATOM 0 HA ALA A 75 -2.104 4.212 -17.482 1.00 24.24 H new ATOM 0 HB1 ALA A 75 -2.035 3.385 -15.151 1.00 33.25 H new ATOM 0 HB2 ALA A 75 -1.476 5.070 -15.270 1.00 33.25 H new ATOM 0 HB3 ALA A 75 -3.108 4.716 -14.656 1.00 33.25 H new ATOM 1014 N GLU A 76 -5.146 3.779 -16.253 1.00 71.51 N ATOM 1015 CA GLU A 76 -6.324 2.922 -16.332 1.00 41.44 C ATOM 1016 C GLU A 76 -6.898 2.916 -17.746 1.00 65.25 C ATOM 1017 O GLU A 76 -7.335 1.880 -18.245 1.00 73.52 O ATOM 1018 CB GLU A 76 -7.390 3.391 -15.340 1.00 30.21 C ATOM 1019 CG GLU A 76 -7.105 2.984 -13.904 1.00 15.01 C ATOM 1020 CD GLU A 76 -7.456 1.535 -13.628 1.00 24.32 C ATOM 1021 OE1 GLU A 76 -7.985 1.251 -12.533 1.00 1.24 O ATOM 1022 OE2 GLU A 76 -7.200 0.684 -14.506 1.00 15.42 O ATOM 0 H GLU A 76 -5.245 4.575 -15.623 1.00 71.51 H new ATOM 0 HA GLU A 76 -6.021 1.907 -16.076 1.00 41.44 H new ATOM 0 HB2 GLU A 76 -7.470 4.477 -15.392 1.00 30.21 H new ATOM 0 HB3 GLU A 76 -8.356 2.985 -15.639 1.00 30.21 H new ATOM 0 HG2 GLU A 76 -6.049 3.146 -13.687 1.00 15.01 H new ATOM 0 HG3 GLU A 76 -7.671 3.626 -13.229 1.00 15.01 H new ATOM 1029 N ALA A 77 -6.892 4.081 -18.386 1.00 61.44 N ATOM 1030 CA ALA A 77 -7.410 4.210 -19.743 1.00 22.43 C ATOM 1031 C ALA A 77 -6.708 3.245 -20.692 1.00 62.15 C ATOM 1032 O ALA A 77 -7.356 2.478 -21.405 1.00 63.11 O ATOM 1033 CB ALA A 77 -7.255 5.642 -20.233 1.00 32.33 C ATOM 0 H ALA A 77 -6.534 4.949 -17.987 1.00 61.44 H new ATOM 0 HA ALA A 77 -8.470 3.956 -19.727 1.00 22.43 H new ATOM 0 HB1 ALA A 77 -7.646 5.724 -21.247 1.00 32.33 H new ATOM 0 HB2 ALA A 77 -7.808 6.313 -19.576 1.00 32.33 H new ATOM 0 HB3 ALA A 77 -6.200 5.916 -20.227 1.00 32.33 H new ATOM 1039 N PHE A 78 -5.380 3.289 -20.698 1.00 63.11 N ATOM 1040 CA PHE A 78 -4.590 2.419 -21.562 1.00 44.51 C ATOM 1041 C PHE A 78 -4.752 0.957 -21.157 1.00 50.32 C ATOM 1042 O PHE A 78 -4.794 0.069 -22.008 1.00 21.34 O ATOM 1043 CB PHE A 78 -3.113 2.815 -21.506 1.00 24.12 C ATOM 1044 CG PHE A 78 -2.721 3.821 -22.550 1.00 71.22 C ATOM 1045 CD1 PHE A 78 -1.899 3.460 -23.605 1.00 61.42 C ATOM 1046 CD2 PHE A 78 -3.175 5.128 -22.477 1.00 30.14 C ATOM 1047 CE1 PHE A 78 -1.537 4.383 -24.568 1.00 60.33 C ATOM 1048 CE2 PHE A 78 -2.817 6.055 -23.437 1.00 1.22 C ATOM 1049 CZ PHE A 78 -1.996 5.683 -24.483 1.00 61.52 C ATOM 0 H PHE A 78 -4.828 3.918 -20.114 1.00 63.11 H new ATOM 0 HA PHE A 78 -4.952 2.537 -22.583 1.00 44.51 H new ATOM 0 HB2 PHE A 78 -2.892 3.222 -20.519 1.00 24.12 H new ATOM 0 HB3 PHE A 78 -2.501 1.921 -21.626 1.00 24.12 H new ATOM 0 HD1 PHE A 78 -1.537 2.445 -23.676 1.00 61.42 H new ATOM 0 HD2 PHE A 78 -3.816 5.426 -21.660 1.00 30.14 H new ATOM 0 HE1 PHE A 78 -0.896 4.088 -25.386 1.00 60.33 H new ATOM 0 HE2 PHE A 78 -3.179 7.070 -23.369 1.00 1.22 H new ATOM 0 HZ PHE A 78 -1.713 6.407 -25.233 1.00 61.52 H new ATOM 1059 N GLN A 79 -4.842 0.717 -19.853 1.00 53.11 N ATOM 1060 CA GLN A 79 -4.999 -0.637 -19.335 1.00 43.12 C ATOM 1061 C GLN A 79 -6.246 -1.299 -19.910 1.00 74.04 C ATOM 1062 O GLN A 79 -6.210 -2.454 -20.335 1.00 21.10 O ATOM 1063 CB GLN A 79 -5.076 -0.616 -17.808 1.00 14.43 C ATOM 1064 CG GLN A 79 -4.277 -1.724 -17.142 1.00 44.13 C ATOM 1065 CD GLN A 79 -3.932 -1.410 -15.700 1.00 1.41 C ATOM 1066 OE1 GLN A 79 -4.695 -0.745 -14.998 1.00 21.43 O ATOM 1067 NE2 GLN A 79 -2.777 -1.887 -15.249 1.00 54.44 N ATOM 0 H GLN A 79 -4.809 1.442 -19.136 1.00 53.11 H new ATOM 0 HA GLN A 79 -4.129 -1.218 -19.640 1.00 43.12 H new ATOM 0 HB2 GLN A 79 -4.715 0.347 -17.448 1.00 14.43 H new ATOM 0 HB3 GLN A 79 -6.119 -0.699 -17.504 1.00 14.43 H new ATOM 0 HG2 GLN A 79 -4.848 -2.652 -17.181 1.00 44.13 H new ATOM 0 HG3 GLN A 79 -3.358 -1.891 -17.703 1.00 44.13 H new ATOM 0 HE21 GLN A 79 -2.175 -2.433 -15.865 1.00 54.44 H new ATOM 0 HE22 GLN A 79 -2.492 -1.707 -14.286 1.00 54.44 H new ATOM 1076 N LYS A 80 -7.351 -0.560 -19.921 1.00 63.12 N ATOM 1077 CA LYS A 80 -8.611 -1.074 -20.445 1.00 3.01 C ATOM 1078 C LYS A 80 -8.463 -1.492 -21.905 1.00 13.45 C ATOM 1079 O LYS A 80 -8.529 -2.676 -22.231 1.00 34.34 O ATOM 1080 CB LYS A 80 -9.710 -0.017 -20.314 1.00 61.32 C ATOM 1081 CG LYS A 80 -11.086 -0.518 -20.717 1.00 31.10 C ATOM 1082 CD LYS A 80 -12.128 0.585 -20.633 1.00 4.11 C ATOM 1083 CE LYS A 80 -12.713 0.904 -22.000 1.00 33.11 C ATOM 1084 NZ LYS A 80 -13.849 1.863 -21.907 1.00 21.21 N ATOM 0 H LYS A 80 -7.399 0.397 -19.573 1.00 63.12 H new ATOM 0 HA LYS A 80 -8.888 -1.952 -19.861 1.00 3.01 H new ATOM 0 HB2 LYS A 80 -9.747 0.331 -19.282 1.00 61.32 H new ATOM 0 HB3 LYS A 80 -9.451 0.843 -20.931 1.00 61.32 H new ATOM 0 HG2 LYS A 80 -11.049 -0.908 -21.734 1.00 31.10 H new ATOM 0 HG3 LYS A 80 -11.377 -1.345 -20.069 1.00 31.10 H new ATOM 0 HD2 LYS A 80 -12.927 0.282 -19.956 1.00 4.11 H new ATOM 0 HD3 LYS A 80 -11.676 1.483 -20.211 1.00 4.11 H new ATOM 0 HE2 LYS A 80 -11.936 1.323 -22.639 1.00 33.11 H new ATOM 0 HE3 LYS A 80 -13.053 -0.017 -22.473 1.00 33.11 H new ATOM 0 HZ1 LYS A 80 -14.220 2.055 -22.859 1.00 21.21 H new ATOM 0 HZ2 LYS A 80 -14.602 1.453 -21.318 1.00 21.21 H new ATOM 0 HZ3 LYS A 80 -13.519 2.751 -21.479 1.00 21.21 H new ATOM 1098 N ALA A 81 -8.262 -0.511 -22.778 1.00 40.34 N ATOM 1099 CA ALA A 81 -8.102 -0.777 -24.202 1.00 64.45 C ATOM 1100 C ALA A 81 -6.791 -0.198 -24.725 1.00 73.33 C ATOM 1101 O ALA A 81 -6.189 0.687 -24.117 1.00 33.31 O ATOM 1102 CB ALA A 81 -9.279 -0.211 -24.981 1.00 53.34 C ATOM 0 H ALA A 81 -8.206 0.475 -22.524 1.00 40.34 H new ATOM 0 HA ALA A 81 -8.074 -1.857 -24.343 1.00 64.45 H new ATOM 0 HB1 ALA A 81 -9.145 -0.417 -26.043 1.00 53.34 H new ATOM 0 HB2 ALA A 81 -10.202 -0.676 -24.634 1.00 53.34 H new ATOM 0 HB3 ALA A 81 -9.334 0.866 -24.825 1.00 53.34 H new ATOM 1108 N PRO A 82 -6.337 -0.708 -25.880 1.00 21.34 N ATOM 1109 CA PRO A 82 -5.093 -0.256 -26.509 1.00 62.24 C ATOM 1110 C PRO A 82 -5.206 1.159 -27.066 1.00 3.13 C ATOM 1111 O PRO A 82 -6.294 1.724 -27.174 1.00 50.40 O ATOM 1112 CB PRO A 82 -4.884 -1.262 -27.644 1.00 50.24 C ATOM 1113 CG PRO A 82 -6.250 -1.765 -27.961 1.00 11.02 C ATOM 1114 CD PRO A 82 -7.003 -1.765 -26.659 1.00 70.22 C ATOM 0 HA PRO A 82 -4.268 -0.217 -25.798 1.00 62.24 H new ATOM 0 HB2 PRO A 82 -4.425 -0.789 -28.512 1.00 50.24 H new ATOM 0 HB3 PRO A 82 -4.225 -2.074 -27.337 1.00 50.24 H new ATOM 0 HG2 PRO A 82 -6.740 -1.126 -28.696 1.00 11.02 H new ATOM 0 HG3 PRO A 82 -6.208 -2.767 -28.388 1.00 11.02 H new ATOM 0 HD2 PRO A 82 -8.061 -1.549 -26.807 1.00 70.22 H new ATOM 0 HD3 PRO A 82 -6.942 -2.732 -26.159 1.00 70.22 H new ATOM 1122 N PRO A 83 -4.056 1.747 -27.428 1.00 23.12 N ATOM 1123 CA PRO A 83 -4.000 3.104 -27.980 1.00 61.41 C ATOM 1124 C PRO A 83 -4.596 3.184 -29.381 1.00 50.13 C ATOM 1125 O PRO A 83 -5.206 4.187 -29.750 1.00 11.44 O ATOM 1126 CB PRO A 83 -2.501 3.410 -28.019 1.00 25.54 C ATOM 1127 CG PRO A 83 -1.844 2.075 -28.102 1.00 63.01 C ATOM 1128 CD PRO A 83 -2.721 1.132 -27.326 1.00 55.24 C ATOM 0 HA PRO A 83 -4.578 3.811 -27.384 1.00 61.41 H new ATOM 0 HB2 PRO A 83 -2.246 4.031 -28.878 1.00 25.54 H new ATOM 0 HB3 PRO A 83 -2.184 3.952 -27.128 1.00 25.54 H new ATOM 0 HG2 PRO A 83 -1.746 1.752 -29.139 1.00 63.01 H new ATOM 0 HG3 PRO A 83 -0.839 2.108 -27.682 1.00 63.01 H new ATOM 0 HD2 PRO A 83 -2.707 0.128 -27.751 1.00 55.24 H new ATOM 0 HD3 PRO A 83 -2.397 1.043 -26.289 1.00 55.24 H new ATOM 1136 N MET A 84 -4.416 2.121 -30.158 1.00 63.11 N ATOM 1137 CA MET A 84 -4.938 2.072 -31.519 1.00 21.42 C ATOM 1138 C MET A 84 -4.295 3.148 -32.387 1.00 64.03 C ATOM 1139 O MET A 84 -4.751 4.291 -32.415 1.00 42.32 O ATOM 1140 CB MET A 84 -6.458 2.247 -31.511 1.00 63.12 C ATOM 1141 CG MET A 84 -7.214 1.017 -31.988 1.00 44.44 C ATOM 1142 SD MET A 84 -8.239 1.350 -33.434 1.00 1.02 S ATOM 1143 CE MET A 84 -9.611 2.222 -32.682 1.00 72.31 C ATOM 0 H MET A 84 -3.913 1.282 -29.869 1.00 63.11 H new ATOM 0 HA MET A 84 -4.694 1.097 -31.941 1.00 21.42 H new ATOM 0 HB2 MET A 84 -6.782 2.493 -30.500 1.00 63.12 H new ATOM 0 HB3 MET A 84 -6.721 3.094 -32.145 1.00 63.12 H new ATOM 0 HG2 MET A 84 -6.502 0.227 -32.226 1.00 44.44 H new ATOM 0 HG3 MET A 84 -7.843 0.645 -31.179 1.00 44.44 H new ATOM 0 HE1 MET A 84 -10.333 2.496 -33.451 1.00 72.31 H new ATOM 0 HE2 MET A 84 -10.092 1.578 -31.946 1.00 72.31 H new ATOM 0 HE3 MET A 84 -9.244 3.123 -32.191 1.00 72.31 H new ATOM 1153 N TYR A 85 -3.233 2.775 -33.094 1.00 55.30 N ATOM 1154 CA TYR A 85 -2.526 3.710 -33.961 1.00 71.02 C ATOM 1155 C TYR A 85 -2.555 3.236 -35.411 1.00 42.32 C ATOM 1156 O TYR A 85 -2.142 2.118 -35.719 1.00 32.11 O ATOM 1157 CB TYR A 85 -1.078 3.875 -33.495 1.00 75.24 C ATOM 1158 CG TYR A 85 -0.620 5.315 -33.441 1.00 32.32 C ATOM 1159 CD1 TYR A 85 -0.066 5.844 -32.282 1.00 4.01 C ATOM 1160 CD2 TYR A 85 -0.743 6.146 -34.547 1.00 64.02 C ATOM 1161 CE1 TYR A 85 0.354 7.159 -32.227 1.00 11.21 C ATOM 1162 CE2 TYR A 85 -0.324 7.462 -34.502 1.00 35.23 C ATOM 1163 CZ TYR A 85 0.223 7.964 -33.339 1.00 71.25 C ATOM 1164 OH TYR A 85 0.639 9.274 -33.290 1.00 3.43 O ATOM 0 H TYR A 85 -2.844 1.832 -33.083 1.00 55.30 H new ATOM 0 HA TYR A 85 -3.031 4.674 -33.903 1.00 71.02 H new ATOM 0 HB2 TYR A 85 -0.971 3.431 -32.505 1.00 75.24 H new ATOM 0 HB3 TYR A 85 -0.423 3.319 -34.166 1.00 75.24 H new ATOM 0 HD1 TYR A 85 0.038 5.217 -31.409 1.00 4.01 H new ATOM 0 HD2 TYR A 85 -1.174 5.757 -35.458 1.00 64.02 H new ATOM 0 HE1 TYR A 85 0.783 7.554 -31.318 1.00 11.21 H new ATOM 0 HE2 TYR A 85 -0.424 8.094 -35.372 1.00 35.23 H new ATOM 0 HH TYR A 85 0.477 9.701 -34.157 1.00 3.43 H new ATOM 1174 N ASP A 86 -3.044 4.096 -36.298 1.00 33.12 N ATOM 1175 CA ASP A 86 -3.126 3.768 -37.716 1.00 70.13 C ATOM 1176 C ASP A 86 -1.778 3.282 -38.240 1.00 51.43 C ATOM 1177 O ASP A 86 -1.704 2.291 -38.967 1.00 41.41 O ATOM 1178 CB ASP A 86 -3.590 4.985 -38.517 1.00 50.53 C ATOM 1179 CG ASP A 86 -4.867 4.718 -39.289 1.00 14.31 C ATOM 1180 OD1 ASP A 86 -5.014 3.600 -39.826 1.00 1.13 O ATOM 1181 OD2 ASP A 86 -5.721 5.627 -39.355 1.00 40.23 O ATOM 0 H ASP A 86 -3.390 5.026 -36.060 1.00 33.12 H new ATOM 0 HA ASP A 86 -3.853 2.965 -37.837 1.00 70.13 H new ATOM 0 HB2 ASP A 86 -3.748 5.824 -37.839 1.00 50.53 H new ATOM 0 HB3 ASP A 86 -2.804 5.280 -39.212 1.00 50.53 H new ATOM 1186 N ASP A 87 -0.716 3.987 -37.868 1.00 3.34 N ATOM 1187 CA ASP A 87 0.630 3.628 -38.300 1.00 1.42 C ATOM 1188 C ASP A 87 0.925 2.162 -37.998 1.00 52.32 C ATOM 1189 O ASP A 87 1.134 1.360 -38.908 1.00 52.25 O ATOM 1190 CB ASP A 87 1.665 4.521 -37.613 1.00 15.32 C ATOM 1191 CG ASP A 87 1.736 5.904 -38.229 1.00 41.53 C ATOM 1192 OD1 ASP A 87 0.857 6.737 -37.922 1.00 45.52 O ATOM 1193 OD2 ASP A 87 2.671 6.154 -39.018 1.00 41.31 O ATOM 0 H ASP A 87 -0.761 4.811 -37.268 1.00 3.34 H new ATOM 0 HA ASP A 87 0.691 3.778 -39.378 1.00 1.42 H new ATOM 0 HB2 ASP A 87 1.419 4.610 -36.555 1.00 15.32 H new ATOM 0 HB3 ASP A 87 2.645 4.049 -37.673 1.00 15.32 H new ATOM 1198 N VAL A 88 0.941 1.819 -36.714 1.00 41.21 N ATOM 1199 CA VAL A 88 1.210 0.450 -36.292 1.00 64.20 C ATOM 1200 C VAL A 88 0.111 -0.068 -35.372 1.00 14.11 C ATOM 1201 O VAL A 88 -0.338 0.637 -34.468 1.00 70.41 O ATOM 1202 CB VAL A 88 2.565 0.342 -35.566 1.00 53.14 C ATOM 1203 CG1 VAL A 88 2.858 -1.103 -35.195 1.00 64.43 C ATOM 1204 CG2 VAL A 88 3.678 0.917 -36.429 1.00 61.42 C ATOM 0 H VAL A 88 0.771 2.471 -35.948 1.00 41.21 H new ATOM 0 HA VAL A 88 1.240 -0.159 -37.196 1.00 64.20 H new ATOM 0 HB VAL A 88 2.513 0.924 -34.646 1.00 53.14 H new ATOM 0 HG11 VAL A 88 3.819 -1.160 -34.683 1.00 64.43 H new ATOM 0 HG12 VAL A 88 2.074 -1.476 -34.536 1.00 64.43 H new ATOM 0 HG13 VAL A 88 2.892 -1.711 -36.099 1.00 64.43 H new ATOM 0 HG21 VAL A 88 4.628 0.833 -35.901 1.00 61.42 H new ATOM 0 HG22 VAL A 88 3.734 0.364 -37.367 1.00 61.42 H new ATOM 0 HG23 VAL A 88 3.471 1.967 -36.638 1.00 61.42 H new ATOM 1214 N GLN A 89 -0.319 -1.303 -35.609 1.00 25.44 N ATOM 1215 CA GLN A 89 -1.367 -1.915 -34.801 1.00 24.55 C ATOM 1216 C GLN A 89 -0.857 -2.234 -33.399 1.00 12.54 C ATOM 1217 O GLN A 89 0.084 -3.010 -33.230 1.00 3.31 O ATOM 1218 CB GLN A 89 -1.878 -3.191 -35.472 1.00 21.32 C ATOM 1219 CG GLN A 89 -3.257 -3.041 -36.093 1.00 72.10 C ATOM 1220 CD GLN A 89 -4.351 -2.883 -35.055 1.00 44.40 C ATOM 1221 OE1 GLN A 89 -4.081 -2.566 -33.896 1.00 30.41 O ATOM 1222 NE2 GLN A 89 -5.594 -3.102 -35.466 1.00 50.13 N ATOM 0 H GLN A 89 0.042 -1.899 -36.354 1.00 25.44 H new ATOM 0 HA GLN A 89 -2.188 -1.203 -34.717 1.00 24.55 H new ATOM 0 HB2 GLN A 89 -1.171 -3.493 -36.245 1.00 21.32 H new ATOM 0 HB3 GLN A 89 -1.906 -3.993 -34.735 1.00 21.32 H new ATOM 0 HG2 GLN A 89 -3.261 -2.175 -36.754 1.00 72.10 H new ATOM 0 HG3 GLN A 89 -3.470 -3.914 -36.710 1.00 72.10 H new ATOM 0 HE21 GLN A 89 -5.772 -3.363 -36.436 1.00 50.13 H new ATOM 0 HE22 GLN A 89 -6.371 -3.009 -34.812 1.00 50.13 H new ATOM 1231 N LEU A 90 -1.484 -1.629 -32.396 1.00 33.25 N ATOM 1232 CA LEU A 90 -1.094 -1.848 -31.007 1.00 14.31 C ATOM 1233 C LEU A 90 -2.046 -2.823 -30.321 1.00 51.30 C ATOM 1234 O LEU A 90 -3.266 -2.705 -30.441 1.00 31.23 O ATOM 1235 CB LEU A 90 -1.072 -0.520 -30.248 1.00 12.22 C ATOM 1236 CG LEU A 90 0.309 0.007 -29.856 1.00 70.54 C ATOM 1237 CD1 LEU A 90 0.993 -0.953 -28.895 1.00 62.12 C ATOM 1238 CD2 LEU A 90 1.166 0.226 -31.094 1.00 45.32 C ATOM 0 H LEU A 90 -2.264 -0.983 -32.518 1.00 33.25 H new ATOM 0 HA LEU A 90 -0.094 -2.281 -31.000 1.00 14.31 H new ATOM 0 HB2 LEU A 90 -1.566 0.234 -30.861 1.00 12.22 H new ATOM 0 HB3 LEU A 90 -1.666 -0.633 -29.341 1.00 12.22 H new ATOM 0 HG LEU A 90 0.182 0.965 -29.352 1.00 70.54 H new ATOM 0 HD11 LEU A 90 1.974 -0.562 -28.627 1.00 62.12 H new ATOM 0 HD12 LEU A 90 0.387 -1.061 -27.995 1.00 62.12 H new ATOM 0 HD13 LEU A 90 1.108 -1.926 -29.373 1.00 62.12 H new ATOM 0 HD21 LEU A 90 2.145 0.601 -30.797 1.00 45.32 H new ATOM 0 HD22 LEU A 90 1.285 -0.718 -31.626 1.00 45.32 H new ATOM 0 HD23 LEU A 90 0.682 0.952 -31.748 1.00 45.32 H new ATOM 1250 N THR A 91 -1.480 -3.785 -29.600 1.00 32.54 N ATOM 1251 CA THR A 91 -2.278 -4.780 -28.893 1.00 65.34 C ATOM 1252 C THR A 91 -1.892 -4.849 -27.420 1.00 52.21 C ATOM 1253 O THR A 91 -0.847 -5.394 -27.067 1.00 10.01 O ATOM 1254 CB THR A 91 -2.116 -6.178 -29.520 1.00 64.01 C ATOM 1255 OG1 THR A 91 -1.782 -6.057 -30.907 1.00 64.13 O ATOM 1256 CG2 THR A 91 -3.393 -6.990 -29.370 1.00 13.22 C ATOM 0 H THR A 91 -0.472 -3.897 -29.490 1.00 32.54 H new ATOM 0 HA THR A 91 -3.319 -4.469 -28.979 1.00 65.34 H new ATOM 0 HB THR A 91 -1.312 -6.695 -28.997 1.00 64.01 H new ATOM 0 HG1 THR A 91 -1.679 -6.950 -31.298 1.00 64.13 H new ATOM 0 HG21 THR A 91 -3.254 -7.973 -29.820 1.00 13.22 H new ATOM 0 HG22 THR A 91 -3.629 -7.105 -28.312 1.00 13.22 H new ATOM 0 HG23 THR A 91 -4.213 -6.474 -29.870 1.00 13.22 H new ATOM 1264 N ALA A 92 -2.743 -4.293 -26.564 1.00 53.32 N ATOM 1265 CA ALA A 92 -2.493 -4.293 -25.128 1.00 64.53 C ATOM 1266 C ALA A 92 -3.454 -5.229 -24.404 1.00 15.25 C ATOM 1267 O ALA A 92 -4.615 -5.360 -24.790 1.00 33.21 O ATOM 1268 CB ALA A 92 -2.606 -2.882 -24.572 1.00 13.11 C ATOM 0 H ALA A 92 -3.612 -3.836 -26.840 1.00 53.32 H new ATOM 0 HA ALA A 92 -1.479 -4.656 -24.961 1.00 64.53 H new ATOM 0 HB1 ALA A 92 -2.417 -2.898 -23.499 1.00 13.11 H new ATOM 0 HB2 ALA A 92 -1.874 -2.239 -25.060 1.00 13.11 H new ATOM 0 HB3 ALA A 92 -3.609 -2.497 -24.758 1.00 13.11 H new ATOM 1274 N GLU A 93 -2.963 -5.877 -23.352 1.00 11.21 N ATOM 1275 CA GLU A 93 -3.780 -6.801 -22.575 1.00 33.31 C ATOM 1276 C GLU A 93 -4.043 -6.252 -21.176 1.00 5.33 C ATOM 1277 O GLU A 93 -3.400 -5.295 -20.743 1.00 34.21 O ATOM 1278 CB GLU A 93 -3.095 -8.166 -22.479 1.00 5.35 C ATOM 1279 CG GLU A 93 -3.339 -9.056 -23.685 1.00 60.41 C ATOM 1280 CD GLU A 93 -4.402 -10.107 -23.429 1.00 23.23 C ATOM 1281 OE1 GLU A 93 -4.064 -11.164 -22.854 1.00 50.34 O ATOM 1282 OE2 GLU A 93 -5.570 -9.874 -23.802 1.00 50.22 O ATOM 0 H GLU A 93 -2.004 -5.779 -23.019 1.00 11.21 H new ATOM 0 HA GLU A 93 -4.736 -6.917 -23.086 1.00 33.31 H new ATOM 0 HB2 GLU A 93 -2.022 -8.017 -22.359 1.00 5.35 H new ATOM 0 HB3 GLU A 93 -3.447 -8.678 -21.583 1.00 5.35 H new ATOM 0 HG2 GLU A 93 -3.640 -8.439 -24.532 1.00 60.41 H new ATOM 0 HG3 GLU A 93 -2.407 -9.548 -23.964 1.00 60.41 H new ATOM 1289 N MET A 94 -4.991 -6.864 -20.474 1.00 40.42 N ATOM 1290 CA MET A 94 -5.338 -6.436 -19.124 1.00 31.33 C ATOM 1291 C MET A 94 -4.714 -7.361 -18.084 1.00 34.54 C ATOM 1292 O MET A 94 -4.474 -8.539 -18.350 1.00 33.45 O ATOM 1293 CB MET A 94 -6.858 -6.406 -18.950 1.00 42.23 C ATOM 1294 CG MET A 94 -7.376 -5.104 -18.360 1.00 72.42 C ATOM 1295 SD MET A 94 -8.998 -4.648 -19.002 1.00 33.32 S ATOM 1296 CE MET A 94 -10.066 -5.319 -17.730 1.00 73.30 C ATOM 0 H MET A 94 -5.532 -7.657 -20.817 1.00 40.42 H new ATOM 0 HA MET A 94 -4.943 -5.431 -18.975 1.00 31.33 H new ATOM 0 HB2 MET A 94 -7.330 -6.570 -19.919 1.00 42.23 H new ATOM 0 HB3 MET A 94 -7.158 -7.232 -18.306 1.00 42.23 H new ATOM 0 HG2 MET A 94 -7.432 -5.198 -17.275 1.00 72.42 H new ATOM 0 HG3 MET A 94 -6.667 -4.305 -18.575 1.00 72.42 H new ATOM 0 HE1 MET A 94 -11.106 -5.117 -17.984 1.00 73.30 H new ATOM 0 HE2 MET A 94 -9.913 -6.396 -17.657 1.00 73.30 H new ATOM 0 HE3 MET A 94 -9.829 -4.853 -16.773 1.00 73.30 H new ATOM 1306 N LYS A 95 -4.454 -6.821 -16.898 1.00 63.01 N ATOM 1307 CA LYS A 95 -3.859 -7.597 -15.817 1.00 23.51 C ATOM 1308 C LYS A 95 -4.771 -8.749 -15.408 1.00 35.20 C ATOM 1309 O LYS A 95 -4.310 -9.864 -15.162 1.00 21.05 O ATOM 1310 CB LYS A 95 -3.581 -6.699 -14.609 1.00 70.33 C ATOM 1311 CG LYS A 95 -4.808 -5.958 -14.107 1.00 73.43 C ATOM 1312 CD LYS A 95 -4.449 -4.954 -13.025 1.00 53.34 C ATOM 1313 CE LYS A 95 -5.629 -4.055 -12.686 1.00 23.45 C ATOM 1314 NZ LYS A 95 -6.004 -4.153 -11.248 1.00 1.13 N ATOM 0 H LYS A 95 -4.646 -5.848 -16.661 1.00 63.01 H new ATOM 0 HA LYS A 95 -2.918 -8.012 -16.177 1.00 23.51 H new ATOM 0 HB2 LYS A 95 -3.178 -7.308 -13.800 1.00 70.33 H new ATOM 0 HB3 LYS A 95 -2.812 -5.973 -14.875 1.00 70.33 H new ATOM 0 HG2 LYS A 95 -5.288 -5.442 -14.939 1.00 73.43 H new ATOM 0 HG3 LYS A 95 -5.531 -6.673 -13.715 1.00 73.43 H new ATOM 0 HD2 LYS A 95 -4.124 -5.483 -12.129 1.00 53.34 H new ATOM 0 HD3 LYS A 95 -3.609 -4.344 -13.357 1.00 53.34 H new ATOM 0 HE2 LYS A 95 -5.380 -3.022 -12.927 1.00 23.45 H new ATOM 0 HE3 LYS A 95 -6.484 -4.329 -13.304 1.00 23.45 H new ATOM 0 HZ1 LYS A 95 -6.811 -3.526 -11.056 1.00 1.13 H new ATOM 0 HZ2 LYS A 95 -6.266 -5.134 -11.024 1.00 1.13 H new ATOM 0 HZ3 LYS A 95 -5.196 -3.867 -10.658 1.00 1.13 H new ATOM 1328 N THR A 96 -6.070 -8.473 -15.339 1.00 32.42 N ATOM 1329 CA THR A 96 -7.048 -9.486 -14.960 1.00 65.13 C ATOM 1330 C THR A 96 -6.963 -10.701 -15.877 1.00 21.43 C ATOM 1331 O THR A 96 -6.988 -11.843 -15.416 1.00 31.22 O ATOM 1332 CB THR A 96 -8.482 -8.926 -15.001 1.00 3.32 C ATOM 1333 OG1 THR A 96 -8.580 -7.771 -14.160 1.00 13.21 O ATOM 1334 CG2 THR A 96 -9.486 -9.975 -14.549 1.00 62.41 C ATOM 0 H THR A 96 -6.469 -7.556 -15.541 1.00 32.42 H new ATOM 0 HA THR A 96 -6.813 -9.787 -13.939 1.00 65.13 H new ATOM 0 HB THR A 96 -8.711 -8.647 -16.030 1.00 3.32 H new ATOM 0 HG1 THR A 96 -9.494 -7.419 -14.192 1.00 13.21 H new ATOM 0 HG21 THR A 96 -10.492 -9.556 -14.586 1.00 62.41 H new ATOM 0 HG22 THR A 96 -9.429 -10.841 -15.208 1.00 62.41 H new ATOM 0 HG23 THR A 96 -9.258 -10.281 -13.528 1.00 62.41 H new ATOM 1342 N THR A 97 -6.862 -10.450 -17.178 1.00 43.42 N ATOM 1343 CA THR A 97 -6.774 -11.523 -18.160 1.00 22.32 C ATOM 1344 C THR A 97 -5.616 -12.463 -17.844 1.00 71.41 C ATOM 1345 O THR A 97 -5.788 -13.682 -17.799 1.00 44.12 O ATOM 1346 CB THR A 97 -6.595 -10.968 -19.585 1.00 51.04 C ATOM 1347 OG1 THR A 97 -7.443 -9.830 -19.778 1.00 32.41 O ATOM 1348 CG2 THR A 97 -6.920 -12.030 -20.625 1.00 25.44 C ATOM 0 H THR A 97 -6.839 -9.511 -17.577 1.00 43.42 H new ATOM 0 HA THR A 97 -7.712 -12.076 -18.109 1.00 22.32 H new ATOM 0 HB THR A 97 -5.554 -10.670 -19.706 1.00 51.04 H new ATOM 0 HG1 THR A 97 -7.322 -9.482 -20.686 1.00 32.41 H new ATOM 0 HG21 THR A 97 -6.786 -11.614 -21.624 1.00 25.44 H new ATOM 0 HG22 THR A 97 -6.254 -12.883 -20.495 1.00 25.44 H new ATOM 0 HG23 THR A 97 -7.953 -12.355 -20.503 1.00 25.44 H new ATOM 1356 N TYR A 98 -4.438 -11.890 -17.625 1.00 62.53 N ATOM 1357 CA TYR A 98 -3.251 -12.678 -17.315 1.00 63.32 C ATOM 1358 C TYR A 98 -3.455 -13.493 -16.041 1.00 42.33 C ATOM 1359 O TYR A 98 -3.184 -14.694 -16.008 1.00 54.10 O ATOM 1360 CB TYR A 98 -2.033 -11.765 -17.161 1.00 32.35 C ATOM 1361 CG TYR A 98 -1.293 -11.519 -18.456 1.00 3.05 C ATOM 1362 CD1 TYR A 98 -1.497 -10.354 -19.185 1.00 14.03 C ATOM 1363 CD2 TYR A 98 -0.389 -12.451 -18.950 1.00 73.25 C ATOM 1364 CE1 TYR A 98 -0.824 -10.125 -20.369 1.00 3.32 C ATOM 1365 CE2 TYR A 98 0.290 -12.230 -20.133 1.00 10.32 C ATOM 1366 CZ TYR A 98 0.069 -11.065 -20.838 1.00 63.34 C ATOM 1367 OH TYR A 98 0.743 -10.842 -22.017 1.00 51.43 O ATOM 0 H TYR A 98 -4.279 -10.883 -17.656 1.00 62.53 H new ATOM 0 HA TYR A 98 -3.078 -13.367 -18.141 1.00 63.32 H new ATOM 0 HB2 TYR A 98 -2.356 -10.809 -16.750 1.00 32.35 H new ATOM 0 HB3 TYR A 98 -1.347 -12.207 -16.439 1.00 32.35 H new ATOM 0 HD1 TYR A 98 -2.194 -9.615 -18.819 1.00 14.03 H new ATOM 0 HD2 TYR A 98 -0.214 -13.364 -18.400 1.00 73.25 H new ATOM 0 HE1 TYR A 98 -0.996 -9.215 -20.924 1.00 3.32 H new ATOM 0 HE2 TYR A 98 0.989 -12.965 -20.503 1.00 10.32 H new ATOM 0 HH TYR A 98 1.334 -11.601 -22.204 1.00 51.43 H new ATOM 1377 N LEU A 99 -3.934 -12.830 -14.994 1.00 74.53 N ATOM 1378 CA LEU A 99 -4.177 -13.491 -13.717 1.00 24.35 C ATOM 1379 C LEU A 99 -5.032 -14.740 -13.903 1.00 22.50 C ATOM 1380 O LEU A 99 -4.726 -15.800 -13.358 1.00 23.31 O ATOM 1381 CB LEU A 99 -4.863 -12.530 -12.745 1.00 1.13 C ATOM 1382 CG LEU A 99 -4.961 -13.000 -11.293 1.00 11.41 C ATOM 1383 CD1 LEU A 99 -4.109 -12.122 -10.389 1.00 61.21 C ATOM 1384 CD2 LEU A 99 -6.410 -12.998 -10.829 1.00 13.24 C ATOM 0 H LEU A 99 -4.162 -11.836 -15.004 1.00 74.53 H new ATOM 0 HA LEU A 99 -3.214 -13.791 -13.303 1.00 24.35 H new ATOM 0 HB2 LEU A 99 -4.326 -11.582 -12.763 1.00 1.13 H new ATOM 0 HB3 LEU A 99 -5.871 -12.333 -13.111 1.00 1.13 H new ATOM 0 HG LEU A 99 -4.583 -14.021 -11.235 1.00 11.41 H new ATOM 0 HD11 LEU A 99 -4.191 -12.471 -9.360 1.00 61.21 H new ATOM 0 HD12 LEU A 99 -3.068 -12.174 -10.708 1.00 61.21 H new ATOM 0 HD13 LEU A 99 -4.457 -11.091 -10.451 1.00 61.21 H new ATOM 0 HD21 LEU A 99 -6.461 -13.335 -9.794 1.00 13.24 H new ATOM 0 HD22 LEU A 99 -6.814 -11.988 -10.902 1.00 13.24 H new ATOM 0 HD23 LEU A 99 -6.994 -13.669 -11.458 1.00 13.24 H new ATOM 1396 N GLU A 100 -6.103 -14.608 -14.678 1.00 54.54 N ATOM 1397 CA GLU A 100 -7.002 -15.727 -14.937 1.00 44.45 C ATOM 1398 C GLU A 100 -6.294 -16.819 -15.733 1.00 63.52 C ATOM 1399 O GLU A 100 -6.479 -18.009 -15.475 1.00 55.14 O ATOM 1400 CB GLU A 100 -8.241 -15.249 -15.697 1.00 33.21 C ATOM 1401 CG GLU A 100 -9.516 -15.973 -15.297 1.00 52.30 C ATOM 1402 CD GLU A 100 -10.071 -16.836 -16.413 1.00 35.20 C ATOM 1403 OE1 GLU A 100 -10.050 -18.077 -16.269 1.00 43.32 O ATOM 1404 OE2 GLU A 100 -10.527 -16.272 -17.430 1.00 32.25 O ATOM 0 H GLU A 100 -6.370 -13.737 -15.138 1.00 54.54 H new ATOM 0 HA GLU A 100 -7.311 -16.142 -13.978 1.00 44.45 H new ATOM 0 HB2 GLU A 100 -8.371 -14.180 -15.527 1.00 33.21 H new ATOM 0 HB3 GLU A 100 -8.076 -15.384 -16.766 1.00 33.21 H new ATOM 0 HG2 GLU A 100 -9.317 -16.596 -14.425 1.00 52.30 H new ATOM 0 HG3 GLU A 100 -10.267 -15.241 -15.001 1.00 52.30 H new ATOM 1411 N ARG A 101 -5.482 -16.407 -16.701 1.00 54.15 N ATOM 1412 CA ARG A 101 -4.748 -17.350 -17.536 1.00 41.34 C ATOM 1413 C ARG A 101 -3.896 -18.284 -16.682 1.00 11.33 C ATOM 1414 O ARG A 101 -4.044 -19.505 -16.740 1.00 52.41 O ATOM 1415 CB ARG A 101 -3.860 -16.599 -18.531 1.00 21.14 C ATOM 1416 CG ARG A 101 -3.984 -17.103 -19.959 1.00 55.32 C ATOM 1417 CD ARG A 101 -5.034 -16.323 -20.735 1.00 51.33 C ATOM 1418 NE ARG A 101 -4.515 -15.820 -22.004 1.00 50.24 N ATOM 1419 CZ ARG A 101 -4.202 -16.601 -23.032 1.00 34.41 C ATOM 1420 NH1 ARG A 101 -4.356 -17.915 -22.941 1.00 21.24 N ATOM 1421 NH2 ARG A 101 -3.736 -16.069 -24.154 1.00 65.01 N ATOM 0 H ARG A 101 -5.316 -15.426 -16.926 1.00 54.15 H new ATOM 0 HA ARG A 101 -5.473 -17.950 -18.087 1.00 41.34 H new ATOM 0 HB2 ARG A 101 -4.115 -15.540 -18.505 1.00 21.14 H new ATOM 0 HB3 ARG A 101 -2.821 -16.684 -18.214 1.00 21.14 H new ATOM 0 HG2 ARG A 101 -3.020 -17.017 -20.461 1.00 55.32 H new ATOM 0 HG3 ARG A 101 -4.247 -18.161 -19.951 1.00 55.32 H new ATOM 0 HD2 ARG A 101 -5.895 -16.964 -20.924 1.00 51.33 H new ATOM 0 HD3 ARG A 101 -5.385 -15.487 -20.130 1.00 51.33 H new ATOM 0 HE ARG A 101 -4.386 -14.813 -22.107 1.00 50.24 H new ATOM 0 HH11 ARG A 101 -4.715 -18.328 -22.080 1.00 21.24 H new ATOM 0 HH12 ARG A 101 -4.115 -18.513 -23.732 1.00 21.24 H new ATOM 0 HH21 ARG A 101 -3.617 -15.059 -24.229 1.00 65.01 H new ATOM 0 HH22 ARG A 101 -3.496 -16.670 -24.942 1.00 65.01 H new ATOM 1435 N LYS A 102 -3.003 -17.702 -15.888 1.00 52.44 N ATOM 1436 CA LYS A 102 -2.127 -18.480 -15.021 1.00 15.04 C ATOM 1437 C LYS A 102 -2.938 -19.282 -14.008 1.00 33.22 C ATOM 1438 O LYS A 102 -2.632 -20.442 -13.732 1.00 41.23 O ATOM 1439 CB LYS A 102 -1.148 -17.558 -14.290 1.00 53.04 C ATOM 1440 CG LYS A 102 -1.828 -16.469 -13.479 1.00 54.20 C ATOM 1441 CD LYS A 102 -0.822 -15.468 -12.935 1.00 74.21 C ATOM 1442 CE LYS A 102 -0.054 -16.038 -11.753 1.00 4.54 C ATOM 1443 NZ LYS A 102 0.032 -15.066 -10.627 1.00 71.21 N ATOM 0 H LYS A 102 -2.867 -16.693 -15.827 1.00 52.44 H new ATOM 0 HA LYS A 102 -1.565 -19.176 -15.644 1.00 15.04 H new ATOM 0 HB2 LYS A 102 -0.524 -18.157 -13.627 1.00 53.04 H new ATOM 0 HB3 LYS A 102 -0.484 -17.095 -15.020 1.00 53.04 H new ATOM 0 HG2 LYS A 102 -2.557 -15.951 -14.102 1.00 54.20 H new ATOM 0 HG3 LYS A 102 -2.378 -16.919 -12.653 1.00 54.20 H new ATOM 0 HD2 LYS A 102 -0.123 -15.187 -13.723 1.00 74.21 H new ATOM 0 HD3 LYS A 102 -1.340 -14.559 -12.630 1.00 74.21 H new ATOM 0 HE2 LYS A 102 -0.541 -16.950 -11.409 1.00 4.54 H new ATOM 0 HE3 LYS A 102 0.951 -16.314 -12.072 1.00 4.54 H new ATOM 0 HZ1 LYS A 102 0.563 -15.492 -9.841 1.00 71.21 H new ATOM 0 HZ2 LYS A 102 0.520 -14.205 -10.948 1.00 71.21 H new ATOM 0 HZ3 LYS A 102 -0.926 -14.822 -10.305 1.00 71.21 H new ATOM 1457 N ALA A 103 -3.974 -18.657 -13.458 1.00 75.50 N ATOM 1458 CA ALA A 103 -4.831 -19.315 -12.479 1.00 10.11 C ATOM 1459 C ALA A 103 -5.367 -20.637 -13.018 1.00 24.02 C ATOM 1460 O ALA A 103 -5.364 -21.649 -12.318 1.00 22.11 O ATOM 1461 CB ALA A 103 -5.980 -18.399 -12.084 1.00 33.30 C ATOM 0 H ALA A 103 -4.240 -17.696 -13.674 1.00 75.50 H new ATOM 0 HA ALA A 103 -4.231 -19.530 -11.595 1.00 10.11 H new ATOM 0 HB1 ALA A 103 -6.612 -18.903 -11.353 1.00 33.30 H new ATOM 0 HB2 ALA A 103 -5.582 -17.482 -11.649 1.00 33.30 H new ATOM 0 HB3 ALA A 103 -6.571 -18.155 -12.967 1.00 33.30 H new ATOM 1467 N GLU A 104 -5.826 -20.620 -14.265 1.00 41.12 N ATOM 1468 CA GLU A 104 -6.366 -21.818 -14.896 1.00 71.41 C ATOM 1469 C GLU A 104 -5.250 -22.796 -15.251 1.00 61.44 C ATOM 1470 O GLU A 104 -5.420 -24.011 -15.151 1.00 13.11 O ATOM 1471 CB GLU A 104 -7.154 -21.448 -16.154 1.00 74.22 C ATOM 1472 CG GLU A 104 -7.786 -22.642 -16.850 1.00 60.21 C ATOM 1473 CD GLU A 104 -6.956 -23.144 -18.016 1.00 54.11 C ATOM 1474 OE1 GLU A 104 -6.603 -22.323 -18.889 1.00 31.05 O ATOM 1475 OE2 GLU A 104 -6.661 -24.356 -18.056 1.00 61.45 O ATOM 0 H GLU A 104 -5.835 -19.790 -14.858 1.00 41.12 H new ATOM 0 HA GLU A 104 -7.036 -22.301 -14.185 1.00 71.41 H new ATOM 0 HB2 GLU A 104 -7.937 -20.738 -15.886 1.00 74.22 H new ATOM 0 HB3 GLU A 104 -6.489 -20.941 -16.853 1.00 74.22 H new ATOM 0 HG2 GLU A 104 -7.919 -23.449 -16.130 1.00 60.21 H new ATOM 0 HG3 GLU A 104 -8.778 -22.366 -17.207 1.00 60.21 H new ATOM 1482 N GLU A 105 -4.108 -22.257 -15.667 1.00 54.24 N ATOM 1483 CA GLU A 105 -2.965 -23.082 -16.039 1.00 40.10 C ATOM 1484 C GLU A 105 -2.552 -23.991 -14.885 1.00 11.11 C ATOM 1485 O GLU A 105 -2.563 -25.216 -15.012 1.00 4.34 O ATOM 1486 CB GLU A 105 -1.786 -22.200 -16.455 1.00 64.44 C ATOM 1487 CG GLU A 105 -0.587 -22.986 -16.959 1.00 64.12 C ATOM 1488 CD GLU A 105 0.671 -22.143 -17.041 1.00 10.22 C ATOM 1489 OE1 GLU A 105 0.781 -21.333 -17.986 1.00 24.45 O ATOM 1490 OE2 GLU A 105 1.544 -22.292 -16.161 1.00 23.01 O ATOM 0 H GLU A 105 -3.950 -21.253 -15.755 1.00 54.24 H new ATOM 0 HA GLU A 105 -3.259 -23.706 -16.883 1.00 40.10 H new ATOM 0 HB2 GLU A 105 -2.114 -21.514 -17.235 1.00 64.44 H new ATOM 0 HB3 GLU A 105 -1.480 -21.592 -15.604 1.00 64.44 H new ATOM 0 HG2 GLU A 105 -0.409 -23.834 -16.298 1.00 64.12 H new ATOM 0 HG3 GLU A 105 -0.812 -23.393 -17.945 1.00 64.12 H new ATOM 1497 N ILE A 106 -2.189 -23.382 -13.761 1.00 63.31 N ATOM 1498 CA ILE A 106 -1.773 -24.136 -12.585 1.00 22.01 C ATOM 1499 C ILE A 106 -2.895 -25.041 -12.087 1.00 24.00 C ATOM 1500 O ILE A 106 -2.646 -26.138 -11.588 1.00 4.01 O ATOM 1501 CB ILE A 106 -1.338 -23.200 -11.442 1.00 23.34 C ATOM 1502 CG1 ILE A 106 -0.872 -24.017 -10.234 1.00 43.14 C ATOM 1503 CG2 ILE A 106 -2.480 -22.273 -11.052 1.00 65.50 C ATOM 1504 CD1 ILE A 106 0.380 -23.472 -9.583 1.00 40.20 C ATOM 0 H ILE A 106 -2.175 -22.369 -13.640 1.00 63.31 H new ATOM 0 HA ILE A 106 -0.923 -24.748 -12.886 1.00 22.01 H new ATOM 0 HB ILE A 106 -0.504 -22.591 -11.789 1.00 23.34 H new ATOM 0 HG12 ILE A 106 -1.673 -24.047 -9.495 1.00 43.14 H new ATOM 0 HG13 ILE A 106 -0.690 -25.045 -10.549 1.00 43.14 H new ATOM 0 HG21 ILE A 106 -2.157 -21.618 -10.243 1.00 65.50 H new ATOM 0 HG22 ILE A 106 -2.770 -21.671 -11.913 1.00 65.50 H new ATOM 0 HG23 ILE A 106 -3.333 -22.866 -10.720 1.00 65.50 H new ATOM 0 HD11 ILE A 106 0.652 -24.100 -8.735 1.00 40.20 H new ATOM 0 HD12 ILE A 106 1.194 -23.468 -10.307 1.00 40.20 H new ATOM 0 HD13 ILE A 106 0.197 -22.455 -9.237 1.00 40.20 H new ATOM 1516 N ALA A 107 -4.131 -24.574 -12.228 1.00 61.11 N ATOM 1517 CA ALA A 107 -5.292 -25.343 -11.796 1.00 43.34 C ATOM 1518 C ALA A 107 -5.317 -26.717 -12.457 1.00 3.11 C ATOM 1519 O ALA A 107 -5.626 -27.720 -11.814 1.00 1.51 O ATOM 1520 CB ALA A 107 -6.573 -24.583 -12.106 1.00 42.31 C ATOM 0 H ALA A 107 -4.354 -23.667 -12.638 1.00 61.11 H new ATOM 0 HA ALA A 107 -5.220 -25.488 -10.718 1.00 43.34 H new ATOM 0 HB1 ALA A 107 -7.432 -25.169 -11.778 1.00 42.31 H new ATOM 0 HB2 ALA A 107 -6.565 -23.627 -11.583 1.00 42.31 H new ATOM 0 HB3 ALA A 107 -6.642 -24.408 -13.180 1.00 42.31 H new ATOM 1526 N ALA A 108 -4.990 -26.755 -13.745 1.00 30.44 N ATOM 1527 CA ALA A 108 -4.974 -28.007 -14.492 1.00 20.05 C ATOM 1528 C ALA A 108 -3.895 -28.947 -13.965 1.00 4.30 C ATOM 1529 O ALA A 108 -4.104 -30.156 -13.864 1.00 54.21 O ATOM 1530 CB ALA A 108 -4.762 -27.735 -15.973 1.00 53.44 C ATOM 0 H ALA A 108 -4.733 -25.934 -14.292 1.00 30.44 H new ATOM 0 HA ALA A 108 -5.940 -28.494 -14.358 1.00 20.05 H new ATOM 0 HB1 ALA A 108 -4.752 -28.679 -16.518 1.00 53.44 H new ATOM 0 HB2 ALA A 108 -5.571 -27.108 -16.347 1.00 53.44 H new ATOM 0 HB3 ALA A 108 -3.810 -27.223 -16.116 1.00 53.44 H new ATOM 1536 N LYS A 109 -2.738 -28.384 -13.631 1.00 13.12 N ATOM 1537 CA LYS A 109 -1.625 -29.171 -13.114 1.00 0.22 C ATOM 1538 C LYS A 109 -2.003 -29.853 -11.803 1.00 12.21 C ATOM 1539 O LYS A 109 -1.924 -31.076 -11.682 1.00 11.53 O ATOM 1540 CB LYS A 109 -0.399 -28.280 -12.902 1.00 42.13 C ATOM 1541 CG LYS A 109 0.116 -27.641 -14.180 1.00 43.42 C ATOM 1542 CD LYS A 109 1.166 -28.509 -14.854 1.00 53.42 C ATOM 1543 CE LYS A 109 2.509 -28.410 -14.147 1.00 35.33 C ATOM 1544 NZ LYS A 109 3.191 -27.118 -14.430 1.00 3.41 N ATOM 0 H LYS A 109 -2.547 -27.385 -13.709 1.00 13.12 H new ATOM 0 HA LYS A 109 -1.385 -29.941 -13.848 1.00 0.22 H new ATOM 0 HB2 LYS A 109 -0.650 -27.495 -12.189 1.00 42.13 H new ATOM 0 HB3 LYS A 109 0.399 -28.874 -12.455 1.00 42.13 H new ATOM 0 HG2 LYS A 109 -0.715 -27.475 -14.866 1.00 43.42 H new ATOM 0 HG3 LYS A 109 0.542 -26.664 -13.953 1.00 43.42 H new ATOM 0 HD2 LYS A 109 0.832 -29.547 -14.860 1.00 53.42 H new ATOM 0 HD3 LYS A 109 1.278 -28.204 -15.895 1.00 53.42 H new ATOM 0 HE2 LYS A 109 2.362 -28.515 -13.072 1.00 35.33 H new ATOM 0 HE3 LYS A 109 3.148 -29.235 -14.464 1.00 35.33 H new ATOM 0 HZ1 LYS A 109 4.173 -27.162 -14.089 1.00 3.41 H new ATOM 0 HZ2 LYS A 109 3.188 -26.941 -15.455 1.00 3.41 H new ATOM 0 HZ3 LYS A 109 2.690 -26.347 -13.944 1.00 3.41 H new ATOM 1558 N LYS A 110 -2.416 -29.055 -10.824 1.00 22.12 N ATOM 1559 CA LYS A 110 -2.809 -29.581 -9.522 1.00 74.11 C ATOM 1560 C LYS A 110 -4.217 -30.166 -9.575 1.00 31.22 C ATOM 1561 O LYS A 110 -4.407 -31.316 -9.973 1.00 15.24 O ATOM 1562 CB LYS A 110 -2.743 -28.479 -8.462 1.00 70.04 C ATOM 1563 CG LYS A 110 -1.685 -28.720 -7.400 1.00 30.14 C ATOM 1564 CD LYS A 110 -1.976 -27.932 -6.134 1.00 14.32 C ATOM 1565 CE LYS A 110 -0.835 -26.987 -5.790 1.00 63.30 C ATOM 1566 NZ LYS A 110 0.331 -27.713 -5.213 1.00 14.01 N ATOM 0 H LYS A 110 -2.487 -28.041 -10.908 1.00 22.12 H new ATOM 0 HA LYS A 110 -2.113 -30.376 -9.254 1.00 74.11 H new ATOM 0 HB2 LYS A 110 -2.543 -27.526 -8.952 1.00 70.04 H new ATOM 0 HB3 LYS A 110 -3.717 -28.391 -7.980 1.00 70.04 H new ATOM 0 HG2 LYS A 110 -1.639 -29.783 -7.165 1.00 30.14 H new ATOM 0 HG3 LYS A 110 -0.707 -28.437 -7.789 1.00 30.14 H new ATOM 0 HD2 LYS A 110 -2.896 -27.362 -6.263 1.00 14.32 H new ATOM 0 HD3 LYS A 110 -2.141 -28.621 -5.306 1.00 14.32 H new ATOM 0 HE2 LYS A 110 -0.523 -26.453 -6.687 1.00 63.30 H new ATOM 0 HE3 LYS A 110 -1.185 -26.238 -5.079 1.00 63.30 H new ATOM 0 HZ1 LYS A 110 1.088 -27.035 -4.992 1.00 14.01 H new ATOM 0 HZ2 LYS A 110 0.039 -28.202 -4.343 1.00 14.01 H new ATOM 0 HZ3 LYS A 110 0.681 -28.410 -5.901 1.00 14.01 H new TER 1580 LYS A 110