USER MOD reduce.3.24.130724 H: found=0, std=0, add=1085, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1084 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 137 GLN : amide:sc= 0.836 K(o=2.7,f=-7.7) USER MOD Set 1.2: A 140 ASN : amide:sc= 1.83 K(o=2.7,f=-6.7!) USER MOD Set 2.1: A 106 THR OG1 : rot 115:sc= 0.102 USER MOD Set 2.2: A 111 TYR OH : rot 142:sc= 1.35 USER MOD Set 3.1: A 74 TYR OH : rot 180:sc= -0.0023 USER MOD Set 3.2: A 76 SER OG : rot 101:sc= -0.012 USER MOD Single : A 8 LYS NZ :NH3+ -114:sc= 0.604 (180deg=-2.89!) USER MOD Single : A 9 THR OG1 : rot 97:sc= 0.286 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot -72:sc= 0.33 USER MOD Single : A 16 SER OG : rot -39:sc= 0.146 USER MOD Single : A 17 SER OG : rot 23:sc= 0.167 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 3.01 K(o=3,f=-9.4!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 83:sc= 0.914 USER MOD Single : A 26 LYS NZ :NH3+ -113:sc= 0.776 (180deg=0.0111) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot -67:sc= -0.0292 USER MOD Single : A 44 GLN : amide:sc= -1.81! C(o=-1.8!,f=-6.5!) USER MOD Single : A 45 THR OG1 : rot 28:sc= 0.0322 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0233 USER MOD Single : A 52 LYS NZ :NH3+ 177:sc= -0.213 (180deg=-0.288) USER MOD Single : A 60 THR OG1 : rot -140:sc= 0.388 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 26:sc= 0.048 USER MOD Single : A 77 HIS : no HD1:sc= -0.11 X(o=-0.11,f=0.0087) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc=-0.000976 X(o=-0.00098,f=-0.015) USER MOD Single : A 85 HIS : no HE2:sc= 0.392 K(o=0.39,f=-1.7!) USER MOD Single : A 86 LYS NZ :NH3+ -143:sc= 1.05 (180deg=0.0959) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 THR OG1 : rot -16:sc= 0.055 USER MOD Single : A 115 CYS SG : rot 8:sc= -1.82 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc=-0.00791 K(o=-0.0079,f=-7.7!) USER MOD Single : A 120 TYR OH : rot -161:sc= -0.799! USER MOD Single : A 121 ASN : amide:sc= 0.491 K(o=0.49,f=-2!) USER MOD Single : A 127 ASN : amide:sc= -0.442 X(o=-0.44,f=-0.00056) USER MOD Single : A 132 THR OG1 : rot 76:sc= 0.743 USER MOD Single : A 134 GLN : amide:sc= 0 X(o=0,f=-0.099) USER MOD Single : A 141 LYS NZ :NH3+ -147:sc= 1.26 (180deg=0.495) USER MOD Single : A 147 HIS : no HD1:sc= -0.0778 K(o=-0.078,f=-0.75) USER MOD ----------------------------------------------------------------- ATOM 33 N GLU A 4 22.951 5.009 -5.705 1.00 5.11 N ATOM 34 CA GLU A 4 21.539 5.146 -5.386 1.00 12.21 C ATOM 35 C GLU A 4 21.280 4.528 -4.017 1.00 73.42 C ATOM 36 O GLU A 4 22.203 4.125 -3.307 1.00 34.12 O ATOM 37 CB GLU A 4 20.637 4.540 -6.475 1.00 34.44 C ATOM 38 CG GLU A 4 20.959 4.945 -7.923 1.00 10.21 C ATOM 39 CD GLU A 4 21.476 3.747 -8.714 1.00 24.21 C ATOM 40 OE1 GLU A 4 22.460 3.119 -8.274 1.00 63.13 O ATOM 41 OE2 GLU A 4 20.817 3.384 -9.719 1.00 34.21 O ATOM 0 HA GLU A 4 21.284 6.205 -5.352 1.00 12.21 H new ATOM 0 HB2 GLU A 4 20.693 3.454 -6.402 1.00 34.44 H new ATOM 0 HB3 GLU A 4 19.606 4.821 -6.262 1.00 34.44 H new ATOM 0 HG2 GLU A 4 20.065 5.345 -8.402 1.00 10.21 H new ATOM 0 HG3 GLU A 4 21.705 5.739 -7.927 1.00 10.21 H new ATOM 48 N GLU A 5 20.013 4.489 -3.631 1.00 53.24 N ATOM 49 CA GLU A 5 19.558 3.948 -2.371 1.00 44.33 C ATOM 50 C GLU A 5 19.721 2.412 -2.340 1.00 3.22 C ATOM 51 O GLU A 5 20.143 1.783 -3.314 1.00 14.51 O ATOM 52 CB GLU A 5 18.091 4.374 -2.239 1.00 64.31 C ATOM 53 CG GLU A 5 17.645 4.691 -0.817 1.00 52.54 C ATOM 54 CD GLU A 5 18.242 5.994 -0.294 1.00 62.00 C ATOM 55 OE1 GLU A 5 19.369 5.961 0.253 1.00 23.31 O ATOM 56 OE2 GLU A 5 17.510 7.009 -0.289 1.00 55.53 O ATOM 0 H GLU A 5 19.253 4.846 -4.210 1.00 53.24 H new ATOM 0 HA GLU A 5 20.145 4.322 -1.532 1.00 44.33 H new ATOM 0 HB2 GLU A 5 17.925 5.253 -2.862 1.00 64.31 H new ATOM 0 HB3 GLU A 5 17.459 3.579 -2.635 1.00 64.31 H new ATOM 0 HG2 GLU A 5 16.557 4.756 -0.787 1.00 52.54 H new ATOM 0 HG3 GLU A 5 17.934 3.872 -0.158 1.00 52.54 H new ATOM 63 N ASP A 6 19.307 1.783 -1.242 1.00 24.33 N ATOM 64 CA ASP A 6 19.367 0.336 -1.021 1.00 51.21 C ATOM 65 C ASP A 6 17.976 -0.119 -0.608 1.00 73.14 C ATOM 66 O ASP A 6 17.430 0.393 0.367 1.00 5.54 O ATOM 67 CB ASP A 6 20.415 0.025 0.055 1.00 10.54 C ATOM 68 CG ASP A 6 20.387 -1.395 0.638 1.00 43.32 C ATOM 69 OD1 ASP A 6 19.683 -2.298 0.128 1.00 70.11 O ATOM 70 OD2 ASP A 6 21.095 -1.629 1.635 1.00 10.15 O ATOM 0 H ASP A 6 18.905 2.285 -0.450 1.00 24.33 H new ATOM 0 HA ASP A 6 19.666 -0.197 -1.923 1.00 51.21 H new ATOM 0 HB2 ASP A 6 21.404 0.202 -0.368 1.00 10.54 H new ATOM 0 HB3 ASP A 6 20.287 0.734 0.873 1.00 10.54 H new ATOM 75 N PHE A 7 17.392 -1.063 -1.346 1.00 32.41 N ATOM 76 CA PHE A 7 16.054 -1.624 -1.132 1.00 73.33 C ATOM 77 C PHE A 7 15.815 -2.152 0.290 1.00 13.15 C ATOM 78 O PHE A 7 14.675 -2.283 0.725 1.00 61.04 O ATOM 79 CB PHE A 7 15.836 -2.754 -2.140 1.00 53.10 C ATOM 80 CG PHE A 7 16.821 -3.901 -1.995 1.00 32.03 C ATOM 81 CD1 PHE A 7 16.563 -4.964 -1.108 1.00 74.44 C ATOM 82 CD2 PHE A 7 18.017 -3.891 -2.734 1.00 50.42 C ATOM 83 CE1 PHE A 7 17.498 -6.005 -0.963 1.00 42.44 C ATOM 84 CE2 PHE A 7 18.947 -4.934 -2.595 1.00 62.00 C ATOM 85 CZ PHE A 7 18.690 -5.992 -1.708 1.00 43.50 C ATOM 0 H PHE A 7 17.861 -1.479 -2.150 1.00 32.41 H new ATOM 0 HA PHE A 7 15.341 -0.812 -1.273 1.00 73.33 H new ATOM 0 HB2 PHE A 7 14.823 -3.140 -2.026 1.00 53.10 H new ATOM 0 HB3 PHE A 7 15.911 -2.348 -3.149 1.00 53.10 H new ATOM 0 HD1 PHE A 7 15.646 -4.980 -0.538 1.00 74.44 H new ATOM 0 HD2 PHE A 7 18.222 -3.076 -3.413 1.00 50.42 H new ATOM 0 HE1 PHE A 7 17.300 -6.816 -0.278 1.00 42.44 H new ATOM 0 HE2 PHE A 7 19.861 -4.922 -3.171 1.00 62.00 H new ATOM 0 HZ PHE A 7 19.406 -6.793 -1.599 1.00 43.50 H new ATOM 95 N LYS A 8 16.873 -2.442 1.040 1.00 30.23 N ATOM 96 CA LYS A 8 16.809 -2.824 2.444 1.00 33.31 C ATOM 97 C LYS A 8 16.763 -1.575 3.326 1.00 4.55 C ATOM 98 O LYS A 8 15.794 -1.353 4.046 1.00 72.13 O ATOM 99 CB LYS A 8 18.045 -3.683 2.672 1.00 30.24 C ATOM 100 CG LYS A 8 18.284 -4.144 4.105 1.00 54.30 C ATOM 101 CD LYS A 8 19.535 -5.031 4.162 1.00 21.32 C ATOM 102 CE LYS A 8 20.838 -4.274 3.836 1.00 63.42 C ATOM 103 NZ LYS A 8 21.144 -4.183 2.389 1.00 33.13 N ATOM 0 H LYS A 8 17.826 -2.417 0.676 1.00 30.23 H new ATOM 0 HA LYS A 8 15.910 -3.384 2.703 1.00 33.31 H new ATOM 0 HB2 LYS A 8 17.973 -4.565 2.035 1.00 30.24 H new ATOM 0 HB3 LYS A 8 18.919 -3.122 2.341 1.00 30.24 H new ATOM 0 HG2 LYS A 8 18.409 -3.281 4.759 1.00 54.30 H new ATOM 0 HG3 LYS A 8 17.418 -4.697 4.469 1.00 54.30 H new ATOM 0 HD2 LYS A 8 19.617 -5.468 5.157 1.00 21.32 H new ATOM 0 HD3 LYS A 8 19.418 -5.857 3.460 1.00 21.32 H new ATOM 0 HE2 LYS A 8 20.771 -3.266 4.245 1.00 63.42 H new ATOM 0 HE3 LYS A 8 21.668 -4.769 4.341 1.00 63.42 H new ATOM 0 HZ1 LYS A 8 22.006 -4.726 2.182 1.00 33.13 H new ATOM 0 HZ2 LYS A 8 20.350 -4.572 1.841 1.00 33.13 H new ATOM 0 HZ3 LYS A 8 21.291 -3.187 2.127 1.00 33.13 H new ATOM 117 N THR A 9 17.802 -0.748 3.291 1.00 31.14 N ATOM 118 CA THR A 9 17.937 0.441 4.123 1.00 1.44 C ATOM 119 C THR A 9 16.797 1.433 3.883 1.00 24.31 C ATOM 120 O THR A 9 16.283 2.027 4.832 1.00 41.21 O ATOM 121 CB THR A 9 19.317 1.014 3.775 1.00 64.02 C ATOM 122 OG1 THR A 9 20.289 0.040 4.097 1.00 72.32 O ATOM 123 CG2 THR A 9 19.657 2.355 4.421 1.00 35.41 C ATOM 0 H THR A 9 18.595 -0.891 2.666 1.00 31.14 H new ATOM 0 HA THR A 9 17.868 0.212 5.186 1.00 1.44 H new ATOM 0 HB THR A 9 19.304 1.238 2.708 1.00 64.02 H new ATOM 0 HG1 THR A 9 20.531 -0.460 3.290 1.00 72.32 H new ATOM 0 HG21 THR A 9 20.653 2.667 4.108 1.00 35.41 H new ATOM 0 HG22 THR A 9 18.928 3.104 4.111 1.00 35.41 H new ATOM 0 HG23 THR A 9 19.633 2.253 5.506 1.00 35.41 H new ATOM 131 N PHE A 10 16.347 1.606 2.636 1.00 24.02 N ATOM 132 CA PHE A 10 15.325 2.599 2.327 1.00 15.23 C ATOM 133 C PHE A 10 13.995 2.204 2.998 1.00 62.11 C ATOM 134 O PHE A 10 13.160 3.069 3.273 1.00 23.14 O ATOM 135 CB PHE A 10 15.176 2.771 0.798 1.00 33.14 C ATOM 136 CG PHE A 10 14.070 2.019 0.064 1.00 14.33 C ATOM 137 CD1 PHE A 10 13.858 0.646 0.255 1.00 10.31 C ATOM 138 CD2 PHE A 10 13.211 2.717 -0.807 1.00 23.33 C ATOM 139 CE1 PHE A 10 12.793 -0.017 -0.381 1.00 44.34 C ATOM 140 CE2 PHE A 10 12.173 2.050 -1.480 1.00 11.33 C ATOM 141 CZ PHE A 10 11.961 0.679 -1.272 1.00 32.22 C ATOM 0 H PHE A 10 16.675 1.072 1.831 1.00 24.02 H new ATOM 0 HA PHE A 10 15.628 3.567 2.727 1.00 15.23 H new ATOM 0 HB2 PHE A 10 15.036 3.834 0.601 1.00 33.14 H new ATOM 0 HB3 PHE A 10 16.124 2.485 0.343 1.00 33.14 H new ATOM 0 HD1 PHE A 10 14.522 0.090 0.900 1.00 10.31 H new ATOM 0 HD2 PHE A 10 13.352 3.777 -0.959 1.00 23.33 H new ATOM 0 HE1 PHE A 10 12.615 -1.064 -0.183 1.00 44.34 H new ATOM 0 HE2 PHE A 10 11.536 2.595 -2.160 1.00 11.33 H new ATOM 0 HZ PHE A 10 11.166 0.165 -1.792 1.00 32.22 H new ATOM 151 N LEU A 11 13.832 0.900 3.268 1.00 41.51 N ATOM 152 CA LEU A 11 12.664 0.237 3.810 1.00 3.33 C ATOM 153 C LEU A 11 12.456 0.701 5.243 1.00 55.10 C ATOM 154 O LEU A 11 11.395 1.224 5.563 1.00 62.33 O ATOM 155 CB LEU A 11 12.835 -1.285 3.719 1.00 21.13 C ATOM 156 CG LEU A 11 11.544 -2.063 3.437 1.00 13.54 C ATOM 157 CD1 LEU A 11 10.256 -1.432 3.953 1.00 64.23 C ATOM 158 CD2 LEU A 11 11.332 -2.356 1.951 1.00 2.51 C ATOM 0 H LEU A 11 14.586 0.236 3.093 1.00 41.51 H new ATOM 0 HA LEU A 11 11.777 0.497 3.232 1.00 3.33 H new ATOM 0 HB2 LEU A 11 13.556 -1.509 2.933 1.00 21.13 H new ATOM 0 HB3 LEU A 11 13.262 -1.645 4.655 1.00 21.13 H new ATOM 0 HG LEU A 11 11.722 -2.979 4.001 1.00 13.54 H new ATOM 0 HD11 LEU A 11 9.410 -2.069 3.696 1.00 64.23 H new ATOM 0 HD12 LEU A 11 10.313 -1.323 5.036 1.00 64.23 H new ATOM 0 HD13 LEU A 11 10.123 -0.451 3.497 1.00 64.23 H new ATOM 0 HD21 LEU A 11 10.402 -2.909 1.818 1.00 2.51 H new ATOM 0 HD22 LEU A 11 11.279 -1.418 1.399 1.00 2.51 H new ATOM 0 HD23 LEU A 11 12.164 -2.951 1.575 1.00 2.51 H new ATOM 170 N GLN A 12 13.490 0.579 6.079 1.00 74.02 N ATOM 171 CA GLN A 12 13.431 0.961 7.486 1.00 64.02 C ATOM 172 C GLN A 12 12.921 2.393 7.643 1.00 24.01 C ATOM 173 O GLN A 12 12.028 2.655 8.442 1.00 23.31 O ATOM 174 CB GLN A 12 14.816 0.810 8.135 1.00 52.50 C ATOM 175 CG GLN A 12 15.317 -0.635 8.106 1.00 4.42 C ATOM 176 CD GLN A 12 16.505 -0.893 9.030 1.00 32.31 C ATOM 177 OE1 GLN A 12 17.257 0.013 9.405 1.00 52.11 O ATOM 178 NE2 GLN A 12 16.713 -2.138 9.421 1.00 3.23 N ATOM 0 H GLN A 12 14.397 0.209 5.793 1.00 74.02 H new ATOM 0 HA GLN A 12 12.731 0.296 7.992 1.00 64.02 H new ATOM 0 HB2 GLN A 12 15.530 1.450 7.616 1.00 52.50 H new ATOM 0 HB3 GLN A 12 14.770 1.156 9.168 1.00 52.50 H new ATOM 0 HG2 GLN A 12 14.499 -1.299 8.386 1.00 4.42 H new ATOM 0 HG3 GLN A 12 15.600 -0.891 7.085 1.00 4.42 H new ATOM 0 HE21 GLN A 12 16.089 -2.882 9.108 1.00 3.23 H new ATOM 0 HE22 GLN A 12 17.498 -2.355 10.036 1.00 3.23 H new ATOM 187 N LYS A 13 13.470 3.312 6.847 1.00 63.01 N ATOM 188 CA LYS A 13 13.117 4.728 6.879 1.00 20.12 C ATOM 189 C LYS A 13 11.644 4.875 6.521 1.00 55.20 C ATOM 190 O LYS A 13 10.882 5.521 7.236 1.00 54.24 O ATOM 191 CB LYS A 13 14.023 5.503 5.910 1.00 24.12 C ATOM 192 CG LYS A 13 15.505 5.294 6.266 1.00 15.22 C ATOM 193 CD LYS A 13 16.415 6.007 5.274 1.00 60.23 C ATOM 194 CE LYS A 13 17.860 5.772 5.732 1.00 33.33 C ATOM 195 NZ LYS A 13 18.826 6.695 5.106 1.00 43.50 N ATOM 0 H LYS A 13 14.183 3.088 6.153 1.00 63.01 H new ATOM 0 HA LYS A 13 13.269 5.142 7.876 1.00 20.12 H new ATOM 0 HB2 LYS A 13 13.839 5.171 4.888 1.00 24.12 H new ATOM 0 HB3 LYS A 13 13.781 6.565 5.949 1.00 24.12 H new ATOM 0 HG2 LYS A 13 15.696 5.667 7.272 1.00 15.22 H new ATOM 0 HG3 LYS A 13 15.734 4.228 6.272 1.00 15.22 H new ATOM 0 HD2 LYS A 13 16.263 5.620 4.266 1.00 60.23 H new ATOM 0 HD3 LYS A 13 16.190 7.073 5.243 1.00 60.23 H new ATOM 0 HE2 LYS A 13 17.913 5.881 6.815 1.00 33.33 H new ATOM 0 HE3 LYS A 13 18.145 4.746 5.500 1.00 33.33 H new ATOM 0 HZ1 LYS A 13 19.783 6.486 5.456 1.00 43.50 H new ATOM 0 HZ2 LYS A 13 18.801 6.576 4.073 1.00 43.50 H new ATOM 0 HZ3 LYS A 13 18.576 7.675 5.347 1.00 43.50 H new ATOM 209 N PHE A 14 11.243 4.233 5.425 1.00 23.23 N ATOM 210 CA PHE A 14 9.868 4.198 4.956 1.00 3.22 C ATOM 211 C PHE A 14 8.873 3.711 6.009 1.00 14.23 C ATOM 212 O PHE A 14 7.745 4.200 5.999 1.00 73.40 O ATOM 213 CB PHE A 14 9.787 3.341 3.694 1.00 12.43 C ATOM 214 CG PHE A 14 8.472 3.428 2.944 1.00 21.45 C ATOM 215 CD1 PHE A 14 8.105 4.622 2.294 1.00 21.14 C ATOM 216 CD2 PHE A 14 7.633 2.299 2.867 1.00 73.20 C ATOM 217 CE1 PHE A 14 6.945 4.659 1.504 1.00 71.12 C ATOM 218 CE2 PHE A 14 6.449 2.354 2.114 1.00 62.02 C ATOM 219 CZ PHE A 14 6.115 3.528 1.416 1.00 23.44 C ATOM 0 H PHE A 14 11.884 3.712 4.827 1.00 23.23 H new ATOM 0 HA PHE A 14 9.577 5.225 4.733 1.00 3.22 H new ATOM 0 HB2 PHE A 14 10.592 3.635 3.021 1.00 12.43 H new ATOM 0 HB3 PHE A 14 9.964 2.301 3.967 1.00 12.43 H new ATOM 0 HD1 PHE A 14 8.714 5.507 2.403 1.00 21.14 H new ATOM 0 HD2 PHE A 14 7.900 1.391 3.387 1.00 73.20 H new ATOM 0 HE1 PHE A 14 6.690 5.558 0.963 1.00 71.12 H new ATOM 0 HE2 PHE A 14 5.795 1.495 2.071 1.00 62.02 H new ATOM 0 HZ PHE A 14 5.220 3.561 0.812 1.00 23.44 H new ATOM 229 N THR A 15 9.241 2.795 6.905 1.00 23.23 N ATOM 230 CA THR A 15 8.328 2.190 7.876 1.00 21.21 C ATOM 231 C THR A 15 8.521 2.749 9.299 1.00 54.13 C ATOM 232 O THR A 15 7.925 2.232 10.242 1.00 52.24 O ATOM 233 CB THR A 15 8.462 0.659 7.794 1.00 20.01 C ATOM 234 OG1 THR A 15 9.806 0.244 7.983 1.00 71.43 O ATOM 235 CG2 THR A 15 7.999 0.142 6.423 1.00 71.10 C ATOM 0 H THR A 15 10.197 2.447 6.978 1.00 23.23 H new ATOM 0 HA THR A 15 7.302 2.458 7.622 1.00 21.21 H new ATOM 0 HB THR A 15 7.835 0.248 8.586 1.00 20.01 H new ATOM 0 HG1 THR A 15 10.336 0.484 7.194 1.00 71.43 H new ATOM 0 HG21 THR A 15 8.103 -0.942 6.389 1.00 71.10 H new ATOM 0 HG22 THR A 15 6.955 0.411 6.266 1.00 71.10 H new ATOM 0 HG23 THR A 15 8.611 0.590 5.640 1.00 71.10 H new ATOM 243 N SER A 16 9.341 3.789 9.484 1.00 24.41 N ATOM 244 CA SER A 16 9.710 4.305 10.801 1.00 41.44 C ATOM 245 C SER A 16 9.574 5.819 10.909 1.00 21.02 C ATOM 246 O SER A 16 9.891 6.364 11.968 1.00 21.41 O ATOM 247 CB SER A 16 11.133 3.823 11.119 1.00 61.43 C ATOM 248 OG SER A 16 11.437 3.909 12.492 1.00 33.34 O ATOM 0 H SER A 16 9.771 4.300 8.713 1.00 24.41 H new ATOM 0 HA SER A 16 9.013 3.916 11.543 1.00 41.44 H new ATOM 0 HB2 SER A 16 11.246 2.790 10.789 1.00 61.43 H new ATOM 0 HB3 SER A 16 11.850 4.418 10.553 1.00 61.43 H new ATOM 0 HG SER A 16 11.059 4.735 12.860 1.00 33.34 H new ATOM 254 N SER A 17 9.100 6.490 9.863 1.00 0.31 N ATOM 255 CA SER A 17 8.947 7.922 9.840 1.00 24.42 C ATOM 256 C SER A 17 7.779 8.256 8.901 1.00 53.21 C ATOM 257 O SER A 17 7.920 8.176 7.680 1.00 72.43 O ATOM 258 CB SER A 17 10.281 8.553 9.393 1.00 53.33 C ATOM 259 OG SER A 17 11.254 8.656 10.426 1.00 20.34 O ATOM 0 H SER A 17 8.809 6.036 8.997 1.00 0.31 H new ATOM 0 HA SER A 17 8.713 8.330 10.823 1.00 24.42 H new ATOM 0 HB2 SER A 17 10.695 7.960 8.578 1.00 53.33 H new ATOM 0 HB3 SER A 17 10.084 9.548 8.995 1.00 53.33 H new ATOM 0 HG SER A 17 11.054 8.004 11.130 1.00 20.34 H new ATOM 265 N ALA A 18 6.600 8.580 9.440 1.00 51.24 N ATOM 266 CA ALA A 18 5.375 8.731 8.653 1.00 14.24 C ATOM 267 C ALA A 18 5.496 9.801 7.570 1.00 0.13 C ATOM 268 O ALA A 18 5.080 9.593 6.428 1.00 3.33 O ATOM 269 CB ALA A 18 4.206 9.070 9.575 1.00 55.31 C ATOM 0 H ALA A 18 6.469 8.745 10.438 1.00 51.24 H new ATOM 0 HA ALA A 18 5.200 7.779 8.151 1.00 14.24 H new ATOM 0 HB1 ALA A 18 3.297 9.181 8.984 1.00 55.31 H new ATOM 0 HB2 ALA A 18 4.071 8.268 10.301 1.00 55.31 H new ATOM 0 HB3 ALA A 18 4.415 10.003 10.099 1.00 55.31 H new ATOM 275 N SER A 19 6.048 10.967 7.898 1.00 52.40 N ATOM 276 CA SER A 19 6.207 12.026 6.909 1.00 63.22 C ATOM 277 C SER A 19 7.236 11.615 5.834 1.00 13.13 C ATOM 278 O SER A 19 7.102 12.005 4.670 1.00 31.31 O ATOM 279 CB SER A 19 6.519 13.349 7.618 1.00 61.41 C ATOM 280 OG SER A 19 5.596 13.560 8.676 1.00 21.41 O ATOM 0 H SER A 19 6.389 11.199 8.831 1.00 52.40 H new ATOM 0 HA SER A 19 5.276 12.185 6.365 1.00 63.22 H new ATOM 0 HB2 SER A 19 7.536 13.331 8.009 1.00 61.41 H new ATOM 0 HB3 SER A 19 6.466 14.174 6.907 1.00 61.41 H new ATOM 0 HG SER A 19 5.802 14.406 9.126 1.00 21.41 H new ATOM 286 N PHE A 20 8.209 10.758 6.166 1.00 20.02 N ATOM 287 CA PHE A 20 9.068 10.111 5.181 1.00 2.13 C ATOM 288 C PHE A 20 8.243 9.196 4.271 1.00 11.34 C ATOM 289 O PHE A 20 8.389 9.315 3.053 1.00 33.41 O ATOM 290 CB PHE A 20 10.234 9.357 5.840 1.00 43.32 C ATOM 291 CG PHE A 20 11.236 8.830 4.837 1.00 51.51 C ATOM 292 CD1 PHE A 20 10.918 7.669 4.118 1.00 21.01 C ATOM 293 CD2 PHE A 20 12.445 9.501 4.579 1.00 64.31 C ATOM 294 CE1 PHE A 20 11.772 7.195 3.118 1.00 40.50 C ATOM 295 CE2 PHE A 20 13.312 9.028 3.583 1.00 60.34 C ATOM 296 CZ PHE A 20 12.963 7.891 2.839 1.00 42.31 C ATOM 0 H PHE A 20 8.419 10.497 7.129 1.00 20.02 H new ATOM 0 HA PHE A 20 9.515 10.891 4.564 1.00 2.13 H new ATOM 0 HB2 PHE A 20 10.742 10.022 6.538 1.00 43.32 H new ATOM 0 HB3 PHE A 20 9.839 8.525 6.423 1.00 43.32 H new ATOM 0 HD1 PHE A 20 10.005 7.136 4.339 1.00 21.01 H new ATOM 0 HD2 PHE A 20 12.706 10.381 5.148 1.00 64.31 H new ATOM 0 HE1 PHE A 20 11.520 6.303 2.564 1.00 40.50 H new ATOM 0 HE2 PHE A 20 14.245 9.537 3.390 1.00 60.34 H new ATOM 0 HZ PHE A 20 13.612 7.548 2.047 1.00 42.31 H new ATOM 306 N GLN A 21 7.395 8.312 4.826 1.00 63.10 N ATOM 307 CA GLN A 21 6.490 7.438 4.076 1.00 2.21 C ATOM 308 C GLN A 21 5.807 8.252 2.978 1.00 44.51 C ATOM 309 O GLN A 21 6.025 8.001 1.793 1.00 3.34 O ATOM 310 CB GLN A 21 5.487 6.698 4.978 1.00 21.01 C ATOM 311 CG GLN A 21 4.645 5.727 4.126 1.00 43.53 C ATOM 312 CD GLN A 21 4.153 4.488 4.861 1.00 73.03 C ATOM 313 OE1 GLN A 21 2.993 4.116 4.735 1.00 42.31 O ATOM 314 NE2 GLN A 21 5.020 3.792 5.566 1.00 24.44 N ATOM 0 H GLN A 21 7.322 8.186 5.836 1.00 63.10 H new ATOM 0 HA GLN A 21 7.078 6.646 3.612 1.00 2.21 H new ATOM 0 HB2 GLN A 21 6.018 6.149 5.756 1.00 21.01 H new ATOM 0 HB3 GLN A 21 4.837 7.414 5.481 1.00 21.01 H new ATOM 0 HG2 GLN A 21 3.782 6.266 3.734 1.00 43.53 H new ATOM 0 HG3 GLN A 21 5.239 5.411 3.269 1.00 43.53 H new ATOM 0 HE21 GLN A 21 5.982 4.119 5.659 1.00 24.44 H new ATOM 0 HE22 GLN A 21 4.730 2.926 6.020 1.00 24.44 H new ATOM 323 N TYR A 22 5.044 9.276 3.376 1.00 1.23 N ATOM 324 CA TYR A 22 4.349 10.172 2.462 1.00 41.25 C ATOM 325 C TYR A 22 5.301 10.795 1.431 1.00 60.23 C ATOM 326 O TYR A 22 5.050 10.702 0.223 1.00 54.34 O ATOM 327 CB TYR A 22 3.588 11.224 3.280 1.00 23.03 C ATOM 328 CG TYR A 22 2.389 10.681 4.039 1.00 34.32 C ATOM 329 CD1 TYR A 22 1.385 9.964 3.358 1.00 13.33 C ATOM 330 CD2 TYR A 22 2.248 10.925 5.419 1.00 24.04 C ATOM 331 CE1 TYR A 22 0.249 9.509 4.047 1.00 31.22 C ATOM 332 CE2 TYR A 22 1.106 10.482 6.111 1.00 33.41 C ATOM 333 CZ TYR A 22 0.099 9.768 5.428 1.00 33.44 C ATOM 334 OH TYR A 22 -0.993 9.326 6.105 1.00 12.31 O ATOM 0 H TYR A 22 4.893 9.504 4.359 1.00 1.23 H new ATOM 0 HA TYR A 22 3.628 9.602 1.876 1.00 41.25 H new ATOM 0 HB2 TYR A 22 4.276 11.681 3.991 1.00 23.03 H new ATOM 0 HB3 TYR A 22 3.251 12.014 2.609 1.00 23.03 H new ATOM 0 HD1 TYR A 22 1.490 9.764 2.302 1.00 13.33 H new ATOM 0 HD2 TYR A 22 3.023 11.457 5.951 1.00 24.04 H new ATOM 0 HE1 TYR A 22 -0.515 8.958 3.518 1.00 31.22 H new ATOM 0 HE2 TYR A 22 1.000 10.689 7.166 1.00 33.41 H new ATOM 0 HH TYR A 22 -0.926 9.595 7.045 1.00 12.31 H new ATOM 344 N SER A 23 6.430 11.361 1.866 1.00 23.24 N ATOM 345 CA SER A 23 7.439 11.949 0.984 1.00 61.04 C ATOM 346 C SER A 23 8.075 10.972 -0.015 1.00 23.03 C ATOM 347 O SER A 23 8.796 11.433 -0.905 1.00 11.51 O ATOM 348 CB SER A 23 8.547 12.614 1.808 1.00 55.52 C ATOM 349 OG SER A 23 8.024 13.660 2.600 1.00 13.51 O ATOM 0 H SER A 23 6.671 11.424 2.855 1.00 23.24 H new ATOM 0 HA SER A 23 6.895 12.683 0.389 1.00 61.04 H new ATOM 0 HB2 SER A 23 9.026 11.872 2.447 1.00 55.52 H new ATOM 0 HB3 SER A 23 9.316 13.006 1.142 1.00 55.52 H new ATOM 0 HG SER A 23 7.644 13.288 3.424 1.00 13.51 H new ATOM 355 N ARG A 24 7.829 9.660 0.048 1.00 31.44 N ATOM 356 CA ARG A 24 8.360 8.699 -0.908 1.00 13.11 C ATOM 357 C ARG A 24 7.232 8.125 -1.768 1.00 24.44 C ATOM 358 O ARG A 24 7.375 7.037 -2.317 1.00 45.21 O ATOM 359 CB ARG A 24 9.165 7.633 -0.156 1.00 34.14 C ATOM 360 CG ARG A 24 10.196 7.002 -1.099 1.00 60.22 C ATOM 361 CD ARG A 24 11.635 7.257 -0.661 1.00 11.41 C ATOM 362 NE ARG A 24 12.085 8.643 -0.887 1.00 71.22 N ATOM 363 CZ ARG A 24 13.324 9.003 -1.255 1.00 64.20 C ATOM 364 NH1 ARG A 24 14.319 8.113 -1.289 1.00 60.21 N ATOM 365 NH2 ARG A 24 13.568 10.265 -1.583 1.00 64.11 N ATOM 0 H ARG A 24 7.250 9.237 0.773 1.00 31.44 H new ATOM 0 HA ARG A 24 9.044 9.186 -1.603 1.00 13.11 H new ATOM 0 HB2 ARG A 24 9.668 8.081 0.701 1.00 34.14 H new ATOM 0 HB3 ARG A 24 8.496 6.865 0.233 1.00 34.14 H new ATOM 0 HG2 ARG A 24 10.023 5.927 -1.152 1.00 60.22 H new ATOM 0 HG3 ARG A 24 10.052 7.398 -2.104 1.00 60.22 H new ATOM 0 HD2 ARG A 24 11.730 7.021 0.399 1.00 11.41 H new ATOM 0 HD3 ARG A 24 12.296 6.577 -1.199 1.00 11.41 H new ATOM 0 HE ARG A 24 11.400 9.387 -0.753 1.00 71.22 H new ATOM 0 HH11 ARG A 24 14.143 7.142 -1.033 1.00 60.21 H new ATOM 0 HH12 ARG A 24 15.255 8.405 -1.571 1.00 60.21 H new ATOM 0 HH21 ARG A 24 12.816 10.954 -1.554 1.00 64.11 H new ATOM 0 HH22 ARG A 24 14.507 10.546 -1.864 1.00 64.11 H new ATOM 379 N ILE A 25 6.089 8.799 -1.872 1.00 14.11 N ATOM 380 CA ILE A 25 4.927 8.328 -2.612 1.00 45.52 C ATOM 381 C ILE A 25 4.499 9.478 -3.530 1.00 64.25 C ATOM 382 O ILE A 25 4.499 10.646 -3.134 1.00 4.24 O ATOM 383 CB ILE A 25 3.836 7.849 -1.618 1.00 62.14 C ATOM 384 CG1 ILE A 25 4.313 6.716 -0.678 1.00 61.35 C ATOM 385 CG2 ILE A 25 2.607 7.339 -2.380 1.00 14.51 C ATOM 386 CD1 ILE A 25 3.447 6.594 0.576 1.00 75.45 C ATOM 0 H ILE A 25 5.945 9.708 -1.433 1.00 14.11 H new ATOM 0 HA ILE A 25 5.136 7.459 -3.236 1.00 45.52 H new ATOM 0 HB ILE A 25 3.594 8.719 -1.008 1.00 62.14 H new ATOM 0 HG12 ILE A 25 4.300 5.770 -1.219 1.00 61.35 H new ATOM 0 HG13 ILE A 25 5.347 6.901 -0.386 1.00 61.35 H new ATOM 0 HG21 ILE A 25 1.850 7.006 -1.669 1.00 14.51 H new ATOM 0 HG22 ILE A 25 2.200 8.143 -2.994 1.00 14.51 H new ATOM 0 HG23 ILE A 25 2.896 6.505 -3.019 1.00 14.51 H new ATOM 0 HD11 ILE A 25 3.824 5.785 1.201 1.00 75.45 H new ATOM 0 HD12 ILE A 25 3.481 7.530 1.134 1.00 75.45 H new ATOM 0 HD13 ILE A 25 2.418 6.380 0.288 1.00 75.45 H new ATOM 398 N LYS A 26 4.209 9.181 -4.798 1.00 32.44 N ATOM 399 CA LYS A 26 3.564 10.121 -5.711 1.00 61.44 C ATOM 400 C LYS A 26 2.069 10.142 -5.424 1.00 42.21 C ATOM 401 O LYS A 26 1.507 9.141 -4.975 1.00 74.33 O ATOM 402 CB LYS A 26 3.796 9.691 -7.174 1.00 25.04 C ATOM 403 CG LYS A 26 4.631 10.710 -7.963 1.00 21.44 C ATOM 404 CD LYS A 26 6.070 10.221 -8.146 1.00 5.22 C ATOM 405 CE LYS A 26 6.910 11.378 -8.673 1.00 33.11 C ATOM 406 NZ LYS A 26 8.284 10.985 -9.070 1.00 34.21 N ATOM 0 H LYS A 26 4.417 8.276 -5.221 1.00 32.44 H new ATOM 0 HA LYS A 26 3.990 11.113 -5.564 1.00 61.44 H new ATOM 0 HB2 LYS A 26 4.300 8.724 -7.189 1.00 25.04 H new ATOM 0 HB3 LYS A 26 2.833 9.557 -7.667 1.00 25.04 H new ATOM 0 HG2 LYS A 26 4.175 10.881 -8.938 1.00 21.44 H new ATOM 0 HG3 LYS A 26 4.633 11.666 -7.440 1.00 21.44 H new ATOM 0 HD2 LYS A 26 6.472 9.862 -7.198 1.00 5.22 H new ATOM 0 HD3 LYS A 26 6.100 9.383 -8.843 1.00 5.22 H new ATOM 0 HE2 LYS A 26 6.405 11.820 -9.532 1.00 33.11 H new ATOM 0 HE3 LYS A 26 6.970 12.151 -7.906 1.00 33.11 H new ATOM 0 HZ1 LYS A 26 8.971 11.426 -8.425 1.00 34.21 H new ATOM 0 HZ2 LYS A 26 8.377 9.950 -9.021 1.00 34.21 H new ATOM 0 HZ3 LYS A 26 8.469 11.303 -10.043 1.00 34.21 H new ATOM 420 N PHE A 27 1.393 11.240 -5.745 1.00 72.14 N ATOM 421 CA PHE A 27 -0.059 11.255 -5.724 1.00 30.42 C ATOM 422 C PHE A 27 -0.623 12.068 -6.884 1.00 44.24 C ATOM 423 O PHE A 27 -0.045 13.108 -7.204 1.00 53.15 O ATOM 424 CB PHE A 27 -0.572 11.761 -4.371 1.00 73.01 C ATOM 425 CG PHE A 27 -0.162 13.144 -3.899 1.00 42.41 C ATOM 426 CD1 PHE A 27 -0.935 14.270 -4.243 1.00 54.34 C ATOM 427 CD2 PHE A 27 0.921 13.289 -3.009 1.00 0.33 C ATOM 428 CE1 PHE A 27 -0.633 15.528 -3.693 1.00 61.35 C ATOM 429 CE2 PHE A 27 1.223 14.548 -2.458 1.00 60.43 C ATOM 430 CZ PHE A 27 0.440 15.665 -2.796 1.00 34.24 C ATOM 0 H PHE A 27 1.825 12.122 -6.020 1.00 72.14 H new ATOM 0 HA PHE A 27 -0.413 10.232 -5.853 1.00 30.42 H new ATOM 0 HB2 PHE A 27 -1.661 11.733 -4.401 1.00 73.01 H new ATOM 0 HB3 PHE A 27 -0.255 11.047 -3.611 1.00 73.01 H new ATOM 0 HD1 PHE A 27 -1.761 14.167 -4.931 1.00 54.34 H new ATOM 0 HD2 PHE A 27 1.522 12.430 -2.749 1.00 0.33 H new ATOM 0 HE1 PHE A 27 -1.226 16.390 -3.960 1.00 61.35 H new ATOM 0 HE2 PHE A 27 2.054 14.656 -1.777 1.00 60.43 H new ATOM 0 HZ PHE A 27 0.663 16.630 -2.366 1.00 34.24 H new ATOM 440 N PRO A 28 -1.773 11.667 -7.463 1.00 32.23 N ATOM 441 CA PRO A 28 -2.492 10.417 -7.212 1.00 3.22 C ATOM 442 C PRO A 28 -1.864 9.215 -7.941 1.00 54.41 C ATOM 443 O PRO A 28 -1.130 9.368 -8.923 1.00 1.14 O ATOM 444 CB PRO A 28 -3.902 10.664 -7.729 1.00 52.24 C ATOM 445 CG PRO A 28 -3.674 11.626 -8.900 1.00 41.42 C ATOM 446 CD PRO A 28 -2.481 12.464 -8.448 1.00 31.10 C ATOM 0 HA PRO A 28 -2.463 10.163 -6.152 1.00 3.22 H new ATOM 0 HB2 PRO A 28 -4.381 9.740 -8.053 1.00 52.24 H new ATOM 0 HB3 PRO A 28 -4.542 11.104 -6.964 1.00 52.24 H new ATOM 0 HG2 PRO A 28 -3.460 11.089 -9.824 1.00 41.42 H new ATOM 0 HG3 PRO A 28 -4.551 12.245 -9.087 1.00 41.42 H new ATOM 0 HD2 PRO A 28 -1.834 12.705 -9.291 1.00 31.10 H new ATOM 0 HD3 PRO A 28 -2.811 13.410 -8.018 1.00 31.10 H new ATOM 454 N LEU A 29 -2.187 8.007 -7.479 1.00 13.24 N ATOM 455 CA LEU A 29 -1.522 6.771 -7.896 1.00 70.05 C ATOM 456 C LEU A 29 -2.110 6.198 -9.182 1.00 51.53 C ATOM 457 O LEU A 29 -3.211 6.553 -9.602 1.00 41.15 O ATOM 458 CB LEU A 29 -1.634 5.713 -6.787 1.00 44.32 C ATOM 459 CG LEU A 29 -0.982 6.162 -5.472 1.00 11.20 C ATOM 460 CD1 LEU A 29 -1.418 5.223 -4.358 1.00 50.53 C ATOM 461 CD2 LEU A 29 0.545 6.164 -5.516 1.00 44.43 C ATOM 0 H LEU A 29 -2.928 7.857 -6.795 1.00 13.24 H new ATOM 0 HA LEU A 29 -0.478 7.023 -8.083 1.00 70.05 H new ATOM 0 HB2 LEU A 29 -2.686 5.490 -6.609 1.00 44.32 H new ATOM 0 HB3 LEU A 29 -1.164 4.789 -7.124 1.00 44.32 H new ATOM 0 HG LEU A 29 -1.307 7.188 -5.299 1.00 11.20 H new ATOM 0 HD11 LEU A 29 -0.959 5.534 -3.419 1.00 50.53 H new ATOM 0 HD12 LEU A 29 -2.503 5.254 -4.260 1.00 50.53 H new ATOM 0 HD13 LEU A 29 -1.104 4.206 -4.595 1.00 50.53 H new ATOM 0 HD21 LEU A 29 0.936 6.492 -4.553 1.00 44.43 H new ATOM 0 HD22 LEU A 29 0.904 5.157 -5.730 1.00 44.43 H new ATOM 0 HD23 LEU A 29 0.886 6.844 -6.297 1.00 44.43 H new ATOM 473 N LYS A 30 -1.401 5.229 -9.758 1.00 34.43 N ATOM 474 CA LYS A 30 -1.802 4.494 -10.960 1.00 51.33 C ATOM 475 C LYS A 30 -2.885 3.442 -10.722 1.00 25.31 C ATOM 476 O LYS A 30 -3.414 2.914 -11.689 1.00 43.35 O ATOM 477 CB LYS A 30 -0.602 3.841 -11.629 1.00 65.32 C ATOM 478 CG LYS A 30 0.447 4.865 -12.062 1.00 12.12 C ATOM 479 CD LYS A 30 1.499 4.223 -12.959 1.00 61.15 C ATOM 480 CE LYS A 30 2.642 5.217 -13.154 1.00 73.01 C ATOM 481 NZ LYS A 30 3.712 4.671 -13.993 1.00 52.15 N ATOM 0 H LYS A 30 -0.501 4.922 -9.390 1.00 34.43 H new ATOM 0 HA LYS A 30 -2.236 5.248 -11.617 1.00 51.33 H new ATOM 0 HB2 LYS A 30 -0.148 3.128 -10.941 1.00 65.32 H new ATOM 0 HB3 LYS A 30 -0.936 3.276 -12.499 1.00 65.32 H new ATOM 0 HG2 LYS A 30 -0.037 5.685 -12.593 1.00 12.12 H new ATOM 0 HG3 LYS A 30 0.927 5.294 -11.182 1.00 12.12 H new ATOM 0 HD2 LYS A 30 1.870 3.303 -12.508 1.00 61.15 H new ATOM 0 HD3 LYS A 30 1.063 3.954 -13.921 1.00 61.15 H new ATOM 0 HE2 LYS A 30 2.255 6.129 -13.609 1.00 73.01 H new ATOM 0 HE3 LYS A 30 3.050 5.494 -12.182 1.00 73.01 H new ATOM 0 HZ1 LYS A 30 4.466 5.379 -14.098 1.00 52.15 H new ATOM 0 HZ2 LYS A 30 4.100 3.815 -13.547 1.00 52.15 H new ATOM 0 HZ3 LYS A 30 3.330 4.430 -14.930 1.00 52.15 H new ATOM 495 N SER A 31 -3.247 3.177 -9.470 1.00 71.23 N ATOM 496 CA SER A 31 -4.358 2.317 -9.088 1.00 64.15 C ATOM 497 C SER A 31 -5.545 3.224 -8.735 1.00 62.43 C ATOM 498 O SER A 31 -5.594 3.763 -7.628 1.00 22.23 O ATOM 499 CB SER A 31 -3.947 1.362 -7.964 1.00 74.35 C ATOM 500 OG SER A 31 -4.923 0.357 -7.776 1.00 30.03 O ATOM 0 H SER A 31 -2.756 3.570 -8.667 1.00 71.23 H new ATOM 0 HA SER A 31 -4.660 1.665 -9.908 1.00 64.15 H new ATOM 0 HB2 SER A 31 -2.988 0.903 -8.203 1.00 74.35 H new ATOM 0 HB3 SER A 31 -3.811 1.921 -7.038 1.00 74.35 H new ATOM 0 HG SER A 31 -4.640 -0.243 -7.055 1.00 30.03 H new ATOM 506 N PRO A 32 -6.394 3.633 -9.694 1.00 72.21 N ATOM 507 CA PRO A 32 -7.693 4.208 -9.361 1.00 4.51 C ATOM 508 C PRO A 32 -8.551 3.179 -8.621 1.00 44.54 C ATOM 509 O PRO A 32 -8.609 2.010 -9.011 1.00 45.45 O ATOM 510 CB PRO A 32 -8.310 4.630 -10.689 1.00 70.02 C ATOM 511 CG PRO A 32 -7.621 3.735 -11.726 1.00 22.14 C ATOM 512 CD PRO A 32 -6.250 3.468 -11.130 1.00 74.04 C ATOM 0 HA PRO A 32 -7.611 5.065 -8.692 1.00 4.51 H new ATOM 0 HB2 PRO A 32 -9.390 4.483 -10.691 1.00 70.02 H new ATOM 0 HB3 PRO A 32 -8.132 5.686 -10.893 1.00 70.02 H new ATOM 0 HG2 PRO A 32 -8.174 2.809 -11.884 1.00 22.14 H new ATOM 0 HG3 PRO A 32 -7.546 4.231 -12.694 1.00 22.14 H new ATOM 0 HD2 PRO A 32 -5.909 2.462 -11.374 1.00 74.04 H new ATOM 0 HD3 PRO A 32 -5.510 4.162 -11.529 1.00 74.04 H new ATOM 520 N ILE A 33 -9.219 3.629 -7.559 1.00 71.34 N ATOM 521 CA ILE A 33 -10.128 2.813 -6.750 1.00 4.50 C ATOM 522 C ILE A 33 -11.388 2.647 -7.595 1.00 62.25 C ATOM 523 O ILE A 33 -12.058 3.639 -7.874 1.00 23.42 O ATOM 524 CB ILE A 33 -10.389 3.506 -5.383 1.00 33.20 C ATOM 525 CG1 ILE A 33 -9.105 3.501 -4.526 1.00 63.14 C ATOM 526 CG2 ILE A 33 -11.523 2.854 -4.570 1.00 34.24 C ATOM 527 CD1 ILE A 33 -9.080 4.623 -3.482 1.00 70.22 C ATOM 0 H ILE A 33 -9.143 4.591 -7.229 1.00 71.34 H new ATOM 0 HA ILE A 33 -9.719 1.834 -6.502 1.00 4.50 H new ATOM 0 HB ILE A 33 -10.696 4.524 -5.621 1.00 33.20 H new ATOM 0 HG12 ILE A 33 -9.015 2.539 -4.021 1.00 63.14 H new ATOM 0 HG13 ILE A 33 -8.238 3.600 -5.179 1.00 63.14 H new ATOM 0 HG21 ILE A 33 -11.650 3.389 -3.629 1.00 34.24 H new ATOM 0 HG22 ILE A 33 -12.451 2.898 -5.140 1.00 34.24 H new ATOM 0 HG23 ILE A 33 -11.272 1.813 -4.365 1.00 34.24 H new ATOM 0 HD11 ILE A 33 -8.153 4.568 -2.911 1.00 70.22 H new ATOM 0 HD12 ILE A 33 -9.140 5.589 -3.984 1.00 70.22 H new ATOM 0 HD13 ILE A 33 -9.929 4.512 -2.808 1.00 70.22 H new ATOM 539 N ALA A 34 -11.683 1.436 -8.064 1.00 30.14 N ATOM 540 CA ALA A 34 -12.914 1.129 -8.779 1.00 63.35 C ATOM 541 C ALA A 34 -13.724 0.205 -7.890 1.00 14.31 C ATOM 542 O ALA A 34 -13.289 -0.887 -7.516 1.00 72.51 O ATOM 543 CB ALA A 34 -12.608 0.413 -10.100 1.00 50.41 C ATOM 0 H ALA A 34 -11.064 0.632 -7.955 1.00 30.14 H new ATOM 0 HA ALA A 34 -13.456 2.047 -9.008 1.00 63.35 H new ATOM 0 HB1 ALA A 34 -13.541 0.192 -10.619 1.00 50.41 H new ATOM 0 HB2 ALA A 34 -11.987 1.054 -10.726 1.00 50.41 H new ATOM 0 HB3 ALA A 34 -12.078 -0.517 -9.895 1.00 50.41 H new ATOM 549 N LEU A 35 -14.901 0.694 -7.552 1.00 41.42 N ATOM 550 CA LEU A 35 -15.923 0.093 -6.718 1.00 11.13 C ATOM 551 C LEU A 35 -17.164 -0.004 -7.593 1.00 32.14 C ATOM 552 O LEU A 35 -17.098 0.287 -8.793 1.00 10.10 O ATOM 553 CB LEU A 35 -16.157 0.982 -5.479 1.00 21.20 C ATOM 554 CG LEU A 35 -14.869 1.226 -4.673 1.00 74.53 C ATOM 555 CD1 LEU A 35 -15.092 2.309 -3.620 1.00 73.43 C ATOM 556 CD2 LEU A 35 -14.303 -0.061 -4.072 1.00 24.10 C ATOM 0 H LEU A 35 -15.194 1.612 -7.888 1.00 41.42 H new ATOM 0 HA LEU A 35 -15.644 -0.894 -6.348 1.00 11.13 H new ATOM 0 HB2 LEU A 35 -16.569 1.940 -5.796 1.00 21.20 H new ATOM 0 HB3 LEU A 35 -16.901 0.513 -4.835 1.00 21.20 H new ATOM 0 HG LEU A 35 -14.109 1.587 -5.366 1.00 74.53 H new ATOM 0 HD11 LEU A 35 -14.170 2.468 -3.060 1.00 73.43 H new ATOM 0 HD12 LEU A 35 -15.383 3.238 -4.110 1.00 73.43 H new ATOM 0 HD13 LEU A 35 -15.882 1.996 -2.937 1.00 73.43 H new ATOM 0 HD21 LEU A 35 -13.395 0.167 -3.514 1.00 24.10 H new ATOM 0 HD22 LEU A 35 -15.040 -0.504 -3.402 1.00 24.10 H new ATOM 0 HD23 LEU A 35 -14.070 -0.764 -4.872 1.00 24.10 H new ATOM 568 N LEU A 36 -18.291 -0.379 -7.002 1.00 4.21 N ATOM 569 CA LEU A 36 -19.550 -0.457 -7.718 1.00 41.12 C ATOM 570 C LEU A 36 -20.476 0.667 -7.243 1.00 65.53 C ATOM 571 O LEU A 36 -20.375 1.105 -6.093 1.00 33.11 O ATOM 572 CB LEU A 36 -20.178 -1.846 -7.550 1.00 22.54 C ATOM 573 CG LEU A 36 -19.258 -3.088 -7.681 1.00 31.52 C ATOM 574 CD1 LEU A 36 -19.983 -4.394 -7.312 1.00 3.32 C ATOM 575 CD2 LEU A 36 -18.684 -3.261 -9.090 1.00 12.03 C ATOM 0 H LEU A 36 -18.355 -0.636 -6.017 1.00 4.21 H new ATOM 0 HA LEU A 36 -19.379 -0.319 -8.786 1.00 41.12 H new ATOM 0 HB2 LEU A 36 -20.648 -1.882 -6.567 1.00 22.54 H new ATOM 0 HB3 LEU A 36 -20.975 -1.943 -8.288 1.00 22.54 H new ATOM 0 HG LEU A 36 -18.446 -2.898 -6.979 1.00 31.52 H new ATOM 0 HD11 LEU A 36 -19.297 -5.234 -7.420 1.00 3.32 H new ATOM 0 HD12 LEU A 36 -20.330 -4.339 -6.280 1.00 3.32 H new ATOM 0 HD13 LEU A 36 -20.837 -4.536 -7.974 1.00 3.32 H new ATOM 0 HD21 LEU A 36 -18.049 -4.146 -9.118 1.00 12.03 H new ATOM 0 HD22 LEU A 36 -19.500 -3.377 -9.804 1.00 12.03 H new ATOM 0 HD23 LEU A 36 -18.094 -2.383 -9.353 1.00 12.03 H new ATOM 587 N LYS A 37 -21.357 1.162 -8.124 1.00 12.12 N ATOM 588 CA LYS A 37 -22.399 2.128 -7.765 1.00 14.03 C ATOM 589 C LYS A 37 -23.436 1.463 -6.860 1.00 30.30 C ATOM 590 O LYS A 37 -23.423 0.262 -6.605 1.00 61.22 O ATOM 591 CB LYS A 37 -23.105 2.753 -8.995 1.00 23.20 C ATOM 592 CG LYS A 37 -22.196 3.291 -10.106 1.00 64.51 C ATOM 593 CD LYS A 37 -21.373 4.488 -9.742 1.00 30.52 C ATOM 594 CE LYS A 37 -22.223 5.713 -9.373 1.00 71.21 C ATOM 595 NZ LYS A 37 -21.985 6.876 -10.255 1.00 62.32 N ATOM 0 H LYS A 37 -21.365 0.901 -9.110 1.00 12.12 H new ATOM 0 HA LYS A 37 -21.901 2.942 -7.239 1.00 14.03 H new ATOM 0 HB2 LYS A 37 -23.765 2.001 -9.428 1.00 23.20 H new ATOM 0 HB3 LYS A 37 -23.738 3.569 -8.647 1.00 23.20 H new ATOM 0 HG2 LYS A 37 -21.525 2.492 -10.421 1.00 64.51 H new ATOM 0 HG3 LYS A 37 -22.815 3.545 -10.967 1.00 64.51 H new ATOM 0 HD2 LYS A 37 -20.726 4.235 -8.902 1.00 30.52 H new ATOM 0 HD3 LYS A 37 -20.723 4.743 -10.579 1.00 30.52 H new ATOM 0 HE2 LYS A 37 -23.278 5.442 -9.417 1.00 71.21 H new ATOM 0 HE3 LYS A 37 -22.010 5.997 -8.343 1.00 71.21 H new ATOM 0 HZ1 LYS A 37 -22.587 7.669 -9.954 1.00 62.32 H new ATOM 0 HZ2 LYS A 37 -20.986 7.158 -10.195 1.00 62.32 H new ATOM 0 HZ3 LYS A 37 -22.214 6.620 -11.237 1.00 62.32 H new ATOM 609 N ASP A 38 -24.425 2.269 -6.490 1.00 43.14 N ATOM 610 CA ASP A 38 -25.673 1.933 -5.805 1.00 22.23 C ATOM 611 C ASP A 38 -26.574 0.987 -6.614 1.00 63.34 C ATOM 612 O ASP A 38 -27.729 0.774 -6.258 1.00 65.23 O ATOM 613 CB ASP A 38 -26.382 3.269 -5.488 1.00 21.12 C ATOM 614 CG ASP A 38 -26.779 3.490 -4.027 1.00 22.22 C ATOM 615 OD1 ASP A 38 -25.956 3.224 -3.118 1.00 52.25 O ATOM 616 OD2 ASP A 38 -27.781 4.211 -3.803 1.00 62.33 O ATOM 0 H ASP A 38 -24.370 3.270 -6.679 1.00 43.14 H new ATOM 0 HA ASP A 38 -25.451 1.380 -4.892 1.00 22.23 H new ATOM 0 HB2 ASP A 38 -25.728 4.086 -5.793 1.00 21.12 H new ATOM 0 HB3 ASP A 38 -27.281 3.335 -6.101 1.00 21.12 H new ATOM 621 N ASP A 39 -26.071 0.429 -7.719 1.00 62.14 N ATOM 622 CA ASP A 39 -26.793 -0.278 -8.768 1.00 33.51 C ATOM 623 C ASP A 39 -26.069 -1.601 -9.041 1.00 64.15 C ATOM 624 O ASP A 39 -25.818 -2.002 -10.178 1.00 44.04 O ATOM 625 CB ASP A 39 -26.916 0.648 -9.970 1.00 1.33 C ATOM 626 CG ASP A 39 -27.717 0.071 -11.136 1.00 31.54 C ATOM 627 OD1 ASP A 39 -28.687 -0.674 -10.890 1.00 50.35 O ATOM 628 OD2 ASP A 39 -27.394 0.506 -12.268 1.00 53.24 O ATOM 0 H ASP A 39 -25.070 0.466 -7.913 1.00 62.14 H new ATOM 0 HA ASP A 39 -27.812 -0.543 -8.484 1.00 33.51 H new ATOM 0 HB2 ASP A 39 -27.385 1.578 -9.649 1.00 1.33 H new ATOM 0 HB3 ASP A 39 -25.916 0.900 -10.322 1.00 1.33 H new ATOM 633 N GLY A 40 -25.649 -2.244 -7.946 1.00 32.41 N ATOM 634 CA GLY A 40 -25.061 -3.577 -7.900 1.00 5.33 C ATOM 635 C GLY A 40 -23.784 -3.649 -8.694 1.00 64.12 C ATOM 636 O GLY A 40 -22.768 -3.261 -8.148 1.00 11.42 O ATOM 0 H GLY A 40 -25.716 -1.821 -7.020 1.00 32.41 H new ATOM 0 HA2 GLY A 40 -24.862 -3.851 -6.864 1.00 5.33 H new ATOM 0 HA3 GLY A 40 -25.774 -4.303 -8.291 1.00 5.33 H new ATOM 640 N GLU A 41 -23.816 -4.156 -9.923 1.00 65.41 N ATOM 641 CA GLU A 41 -22.640 -4.430 -10.731 1.00 43.04 C ATOM 642 C GLU A 41 -22.513 -3.307 -11.749 1.00 50.01 C ATOM 643 O GLU A 41 -22.831 -3.442 -12.934 1.00 52.22 O ATOM 644 CB GLU A 41 -22.722 -5.823 -11.364 1.00 53.31 C ATOM 645 CG GLU A 41 -22.971 -6.894 -10.298 1.00 45.12 C ATOM 646 CD GLU A 41 -22.507 -8.322 -10.642 1.00 33.14 C ATOM 647 OE1 GLU A 41 -22.406 -8.727 -11.827 1.00 2.44 O ATOM 648 OE2 GLU A 41 -22.184 -9.033 -9.673 1.00 62.35 O ATOM 0 H GLU A 41 -24.689 -4.393 -10.395 1.00 65.41 H new ATOM 0 HA GLU A 41 -21.737 -4.451 -10.121 1.00 43.04 H new ATOM 0 HB2 GLU A 41 -23.524 -5.845 -12.102 1.00 53.31 H new ATOM 0 HB3 GLU A 41 -21.795 -6.041 -11.895 1.00 53.31 H new ATOM 0 HG2 GLU A 41 -22.472 -6.585 -9.379 1.00 45.12 H new ATOM 0 HG3 GLU A 41 -24.040 -6.924 -10.086 1.00 45.12 H new ATOM 655 N THR A 42 -22.097 -2.165 -11.231 1.00 54.14 N ATOM 656 CA THR A 42 -21.876 -0.928 -11.961 1.00 14.03 C ATOM 657 C THR A 42 -20.403 -0.542 -11.871 1.00 22.42 C ATOM 658 O THR A 42 -19.688 -0.992 -10.981 1.00 10.30 O ATOM 659 CB THR A 42 -22.788 0.181 -11.400 1.00 72.43 C ATOM 660 OG1 THR A 42 -23.507 -0.236 -10.249 1.00 73.51 O ATOM 661 CG2 THR A 42 -23.797 0.641 -12.449 1.00 52.35 C ATOM 0 H THR A 42 -21.893 -2.070 -10.236 1.00 54.14 H new ATOM 0 HA THR A 42 -22.128 -1.066 -13.012 1.00 14.03 H new ATOM 0 HB THR A 42 -22.125 1.001 -11.123 1.00 72.43 H new ATOM 0 HG1 THR A 42 -24.157 -0.925 -10.501 1.00 73.51 H new ATOM 0 HG21 THR A 42 -24.428 1.424 -12.028 1.00 52.35 H new ATOM 0 HG22 THR A 42 -23.267 1.031 -13.318 1.00 52.35 H new ATOM 0 HG23 THR A 42 -24.418 -0.202 -12.751 1.00 52.35 H new ATOM 669 N GLU A 43 -19.943 0.323 -12.767 1.00 13.02 N ATOM 670 CA GLU A 43 -18.594 0.861 -12.729 1.00 74.11 C ATOM 671 C GLU A 43 -18.576 2.128 -11.871 1.00 72.23 C ATOM 672 O GLU A 43 -19.489 2.951 -11.942 1.00 5.41 O ATOM 673 CB GLU A 43 -18.142 1.137 -14.172 1.00 24.11 C ATOM 674 CG GLU A 43 -18.942 2.277 -14.822 1.00 13.43 C ATOM 675 CD GLU A 43 -19.030 2.238 -16.333 1.00 22.41 C ATOM 676 OE1 GLU A 43 -19.324 1.126 -16.889 1.00 14.43 O ATOM 677 OE2 GLU A 43 -18.989 3.313 -16.948 1.00 24.24 O ATOM 0 H GLU A 43 -20.502 0.672 -13.545 1.00 13.02 H new ATOM 0 HA GLU A 43 -17.900 0.151 -12.279 1.00 74.11 H new ATOM 0 HB2 GLU A 43 -17.082 1.390 -14.177 1.00 24.11 H new ATOM 0 HB3 GLU A 43 -18.256 0.230 -14.766 1.00 24.11 H new ATOM 0 HG2 GLU A 43 -19.954 2.263 -14.417 1.00 13.43 H new ATOM 0 HG3 GLU A 43 -18.493 3.225 -14.527 1.00 13.43 H new ATOM 684 N GLN A 44 -17.516 2.328 -11.097 1.00 10.21 N ATOM 685 CA GLN A 44 -17.159 3.630 -10.559 1.00 25.11 C ATOM 686 C GLN A 44 -15.640 3.750 -10.576 1.00 25.11 C ATOM 687 O GLN A 44 -14.960 2.728 -10.683 1.00 30.53 O ATOM 688 CB GLN A 44 -17.825 3.869 -9.201 1.00 70.32 C ATOM 689 CG GLN A 44 -16.965 3.348 -8.052 1.00 14.41 C ATOM 690 CD GLN A 44 -16.206 4.348 -7.173 1.00 71.42 C ATOM 691 OE1 GLN A 44 -15.511 4.021 -6.230 1.00 30.32 O ATOM 692 NE2 GLN A 44 -16.265 5.600 -7.517 1.00 24.24 N ATOM 0 H GLN A 44 -16.876 1.582 -10.824 1.00 10.21 H new ATOM 0 HA GLN A 44 -17.546 4.439 -11.178 1.00 25.11 H new ATOM 0 HB2 GLN A 44 -18.005 4.936 -9.066 1.00 70.32 H new ATOM 0 HB3 GLN A 44 -18.797 3.377 -9.181 1.00 70.32 H new ATOM 0 HG2 GLN A 44 -17.611 2.761 -7.399 1.00 14.41 H new ATOM 0 HG3 GLN A 44 -16.232 2.662 -8.476 1.00 14.41 H new ATOM 0 HE21 GLN A 44 -16.845 5.885 -8.306 1.00 24.24 H new ATOM 0 HE22 GLN A 44 -15.732 6.297 -6.998 1.00 24.24 H new ATOM 701 N THR A 45 -15.124 4.954 -10.346 1.00 3.20 N ATOM 702 CA THR A 45 -13.695 5.243 -10.271 1.00 42.11 C ATOM 703 C THR A 45 -13.378 6.445 -9.396 1.00 72.13 C ATOM 704 O THR A 45 -14.023 7.485 -9.531 1.00 73.51 O ATOM 705 CB THR A 45 -13.127 5.468 -11.678 1.00 45.45 C ATOM 706 OG1 THR A 45 -13.850 6.468 -12.382 1.00 12.20 O ATOM 707 CG2 THR A 45 -13.152 4.144 -12.427 1.00 10.10 C ATOM 0 H THR A 45 -15.705 5.780 -10.202 1.00 3.20 H new ATOM 0 HA THR A 45 -13.225 4.375 -9.809 1.00 42.11 H new ATOM 0 HB THR A 45 -12.101 5.827 -11.597 1.00 45.45 H new ATOM 0 HG1 THR A 45 -14.236 7.104 -11.743 1.00 12.20 H new ATOM 0 HG21 THR A 45 -12.751 4.286 -13.431 1.00 10.10 H new ATOM 0 HG22 THR A 45 -12.545 3.413 -11.894 1.00 10.10 H new ATOM 0 HG23 THR A 45 -14.178 3.783 -12.494 1.00 10.10 H new ATOM 715 N PHE A 46 -12.381 6.320 -8.516 1.00 71.25 N ATOM 716 CA PHE A 46 -11.986 7.368 -7.572 1.00 14.52 C ATOM 717 C PHE A 46 -10.472 7.637 -7.576 1.00 3.14 C ATOM 718 O PHE A 46 -9.676 6.692 -7.658 1.00 70.21 O ATOM 719 CB PHE A 46 -12.486 7.039 -6.145 1.00 43.03 C ATOM 720 CG PHE A 46 -13.587 7.965 -5.656 1.00 73.35 C ATOM 721 CD1 PHE A 46 -14.720 8.159 -6.462 1.00 4.14 C ATOM 722 CD2 PHE A 46 -13.510 8.619 -4.411 1.00 31.40 C ATOM 723 CE1 PHE A 46 -15.762 9.003 -6.058 1.00 22.22 C ATOM 724 CE2 PHE A 46 -14.566 9.450 -3.990 1.00 33.52 C ATOM 725 CZ PHE A 46 -15.692 9.638 -4.812 1.00 62.43 C ATOM 0 H PHE A 46 -11.817 5.474 -8.438 1.00 71.25 H new ATOM 0 HA PHE A 46 -12.465 8.288 -7.908 1.00 14.52 H new ATOM 0 HB2 PHE A 46 -12.851 6.012 -6.125 1.00 43.03 H new ATOM 0 HB3 PHE A 46 -11.645 7.092 -5.454 1.00 43.03 H new ATOM 0 HD1 PHE A 46 -14.789 7.648 -7.411 1.00 4.14 H new ATOM 0 HD2 PHE A 46 -12.643 8.484 -3.781 1.00 31.40 H new ATOM 0 HE1 PHE A 46 -16.613 9.163 -6.703 1.00 22.22 H new ATOM 0 HE2 PHE A 46 -14.511 9.945 -3.032 1.00 33.52 H new ATOM 0 HZ PHE A 46 -16.502 10.272 -4.482 1.00 62.43 H new ATOM 735 N PRO A 47 -10.066 8.914 -7.396 1.00 30.22 N ATOM 736 CA PRO A 47 -8.671 9.336 -7.406 1.00 61.02 C ATOM 737 C PRO A 47 -7.968 8.884 -6.130 1.00 45.54 C ATOM 738 O PRO A 47 -8.286 9.389 -5.051 1.00 41.14 O ATOM 739 CB PRO A 47 -8.695 10.868 -7.520 1.00 44.14 C ATOM 740 CG PRO A 47 -10.056 11.278 -6.970 1.00 52.15 C ATOM 741 CD PRO A 47 -10.941 10.079 -7.296 1.00 53.45 C ATOM 0 HA PRO A 47 -8.119 8.893 -8.235 1.00 61.02 H new ATOM 0 HB2 PRO A 47 -7.885 11.320 -6.948 1.00 44.14 H new ATOM 0 HB3 PRO A 47 -8.573 11.190 -8.554 1.00 44.14 H new ATOM 0 HG2 PRO A 47 -10.016 11.469 -5.898 1.00 52.15 H new ATOM 0 HG3 PRO A 47 -10.423 12.189 -7.442 1.00 52.15 H new ATOM 0 HD2 PRO A 47 -11.691 9.932 -6.519 1.00 53.45 H new ATOM 0 HD3 PRO A 47 -11.478 10.239 -8.231 1.00 53.45 H new ATOM 749 N PHE A 48 -7.011 7.957 -6.229 1.00 2.50 N ATOM 750 CA PHE A 48 -6.250 7.485 -5.078 1.00 70.03 C ATOM 751 C PHE A 48 -5.173 8.530 -4.736 1.00 52.35 C ATOM 752 O PHE A 48 -4.031 8.444 -5.198 1.00 13.51 O ATOM 753 CB PHE A 48 -5.691 6.074 -5.335 1.00 50.12 C ATOM 754 CG PHE A 48 -5.396 5.232 -4.102 1.00 5.54 C ATOM 755 CD1 PHE A 48 -4.892 5.804 -2.915 1.00 3.40 C ATOM 756 CD2 PHE A 48 -5.635 3.844 -4.142 1.00 45.32 C ATOM 757 CE1 PHE A 48 -4.678 5.008 -1.779 1.00 14.43 C ATOM 758 CE2 PHE A 48 -5.436 3.051 -3.000 1.00 14.23 C ATOM 759 CZ PHE A 48 -4.967 3.636 -1.812 1.00 21.42 C ATOM 0 H PHE A 48 -6.745 7.516 -7.109 1.00 2.50 H new ATOM 0 HA PHE A 48 -6.894 7.383 -4.204 1.00 70.03 H new ATOM 0 HB2 PHE A 48 -6.403 5.532 -5.957 1.00 50.12 H new ATOM 0 HB3 PHE A 48 -4.771 6.170 -5.912 1.00 50.12 H new ATOM 0 HD1 PHE A 48 -4.670 6.860 -2.880 1.00 3.40 H new ATOM 0 HD2 PHE A 48 -5.974 3.386 -5.059 1.00 45.32 H new ATOM 0 HE1 PHE A 48 -4.289 5.454 -0.876 1.00 14.43 H new ATOM 0 HE2 PHE A 48 -5.643 1.992 -3.035 1.00 14.23 H new ATOM 0 HZ PHE A 48 -4.830 3.032 -0.928 1.00 21.42 H new ATOM 769 N THR A 49 -5.549 9.554 -3.972 1.00 14.12 N ATOM 770 CA THR A 49 -4.675 10.603 -3.455 1.00 31.14 C ATOM 771 C THR A 49 -3.984 10.148 -2.154 1.00 41.52 C ATOM 772 O THR A 49 -4.142 9.011 -1.711 1.00 61.14 O ATOM 773 CB THR A 49 -5.520 11.879 -3.252 1.00 22.33 C ATOM 774 OG1 THR A 49 -6.649 11.591 -2.448 1.00 12.23 O ATOM 775 CG2 THR A 49 -5.999 12.455 -4.586 1.00 61.21 C ATOM 0 H THR A 49 -6.519 9.680 -3.683 1.00 14.12 H new ATOM 0 HA THR A 49 -3.877 10.817 -4.166 1.00 31.14 H new ATOM 0 HB THR A 49 -4.885 12.616 -2.761 1.00 22.33 H new ATOM 0 HG1 THR A 49 -7.178 12.406 -2.323 1.00 12.23 H new ATOM 0 HG21 THR A 49 -6.590 13.352 -4.404 1.00 61.21 H new ATOM 0 HG22 THR A 49 -5.137 12.708 -5.204 1.00 61.21 H new ATOM 0 HG23 THR A 49 -6.611 11.716 -5.103 1.00 61.21 H new ATOM 783 N ARG A 50 -3.231 11.039 -1.500 1.00 42.43 N ATOM 784 CA ARG A 50 -2.673 10.786 -0.169 1.00 72.12 C ATOM 785 C ARG A 50 -3.762 10.598 0.892 1.00 71.01 C ATOM 786 O ARG A 50 -3.556 9.873 1.869 1.00 3.50 O ATOM 787 CB ARG A 50 -1.725 11.949 0.168 1.00 35.01 C ATOM 788 CG ARG A 50 -1.000 11.793 1.512 1.00 44.25 C ATOM 789 CD ARG A 50 0.216 12.731 1.590 1.00 24.00 C ATOM 790 NE ARG A 50 0.192 13.603 2.777 1.00 60.04 N ATOM 791 CZ ARG A 50 -0.110 14.908 2.794 1.00 24.04 C ATOM 792 NH1 ARG A 50 -0.618 15.510 1.718 1.00 12.32 N ATOM 793 NH2 ARG A 50 0.122 15.608 3.902 1.00 13.21 N ATOM 0 H ARG A 50 -2.992 11.955 -1.879 1.00 42.43 H new ATOM 0 HA ARG A 50 -2.120 9.847 -0.173 1.00 72.12 H new ATOM 0 HB2 ARG A 50 -0.983 12.041 -0.625 1.00 35.01 H new ATOM 0 HB3 ARG A 50 -2.296 12.878 0.180 1.00 35.01 H new ATOM 0 HG2 ARG A 50 -1.688 12.013 2.329 1.00 44.25 H new ATOM 0 HG3 ARG A 50 -0.676 10.760 1.638 1.00 44.25 H new ATOM 0 HD2 ARG A 50 1.128 12.135 1.602 1.00 24.00 H new ATOM 0 HD3 ARG A 50 0.250 13.348 0.692 1.00 24.00 H new ATOM 0 HE ARG A 50 0.428 13.172 3.671 1.00 60.04 H new ATOM 0 HH11 ARG A 50 -0.782 14.976 0.865 1.00 12.32 H new ATOM 0 HH12 ARG A 50 -0.842 16.505 1.748 1.00 12.32 H new ATOM 0 HH21 ARG A 50 0.524 15.150 4.720 1.00 13.21 H new ATOM 0 HH22 ARG A 50 -0.102 16.603 3.933 1.00 13.21 H new ATOM 807 N GLU A 51 -4.943 11.185 0.686 1.00 54.11 N ATOM 808 CA GLU A 51 -6.055 11.318 1.640 1.00 32.33 C ATOM 809 C GLU A 51 -6.824 9.999 1.884 1.00 24.11 C ATOM 810 O GLU A 51 -8.032 9.989 2.117 1.00 34.21 O ATOM 811 CB GLU A 51 -6.987 12.425 1.100 1.00 0.22 C ATOM 812 CG GLU A 51 -7.567 13.313 2.206 1.00 75.54 C ATOM 813 CD GLU A 51 -6.560 14.412 2.592 1.00 75.23 C ATOM 814 OE1 GLU A 51 -5.378 14.094 2.853 1.00 51.12 O ATOM 815 OE2 GLU A 51 -6.924 15.615 2.584 1.00 1.01 O ATOM 0 H GLU A 51 -5.167 11.611 -0.213 1.00 54.11 H new ATOM 0 HA GLU A 51 -5.653 11.582 2.618 1.00 32.33 H new ATOM 0 HB2 GLU A 51 -6.434 13.046 0.396 1.00 0.22 H new ATOM 0 HB3 GLU A 51 -7.805 11.965 0.545 1.00 0.22 H new ATOM 0 HG2 GLU A 51 -8.498 13.767 1.867 1.00 75.54 H new ATOM 0 HG3 GLU A 51 -7.807 12.707 3.080 1.00 75.54 H new ATOM 822 N LYS A 52 -6.152 8.860 1.716 1.00 41.11 N ATOM 823 CA LYS A 52 -6.663 7.491 1.647 1.00 14.14 C ATOM 824 C LYS A 52 -5.491 6.497 1.555 1.00 54.21 C ATOM 825 O LYS A 52 -5.706 5.294 1.451 1.00 1.22 O ATOM 826 CB LYS A 52 -7.650 7.341 0.471 1.00 53.12 C ATOM 827 CG LYS A 52 -7.253 8.132 -0.779 1.00 55.42 C ATOM 828 CD LYS A 52 -8.114 7.793 -1.985 1.00 52.33 C ATOM 829 CE LYS A 52 -9.629 7.800 -1.791 1.00 40.34 C ATOM 830 NZ LYS A 52 -10.128 9.063 -1.202 1.00 11.43 N ATOM 0 H LYS A 52 -5.137 8.875 1.615 1.00 41.11 H new ATOM 0 HA LYS A 52 -7.217 7.264 2.558 1.00 14.14 H new ATOM 0 HB2 LYS A 52 -7.731 6.286 0.210 1.00 53.12 H new ATOM 0 HB3 LYS A 52 -8.638 7.666 0.796 1.00 53.12 H new ATOM 0 HG2 LYS A 52 -7.332 9.199 -0.569 1.00 55.42 H new ATOM 0 HG3 LYS A 52 -6.208 7.930 -1.015 1.00 55.42 H new ATOM 0 HD2 LYS A 52 -7.873 8.499 -2.780 1.00 52.33 H new ATOM 0 HD3 LYS A 52 -7.824 6.803 -2.338 1.00 52.33 H new ATOM 0 HE2 LYS A 52 -10.114 7.637 -2.753 1.00 40.34 H new ATOM 0 HE3 LYS A 52 -9.912 6.968 -1.146 1.00 40.34 H new ATOM 0 HZ1 LYS A 52 -11.166 9.031 -1.140 1.00 11.43 H new ATOM 0 HZ2 LYS A 52 -9.728 9.184 -0.250 1.00 11.43 H new ATOM 0 HZ3 LYS A 52 -9.841 9.863 -1.802 1.00 11.43 H new ATOM 844 N TRP A 53 -4.241 6.975 1.583 1.00 40.21 N ATOM 845 CA TRP A 53 -3.116 6.101 1.877 1.00 12.54 C ATOM 846 C TRP A 53 -3.253 5.628 3.329 1.00 73.23 C ATOM 847 O TRP A 53 -3.836 6.346 4.150 1.00 40.33 O ATOM 848 CB TRP A 53 -1.800 6.854 1.641 1.00 1.51 C ATOM 849 CG TRP A 53 -0.573 6.021 1.842 1.00 42.11 C ATOM 850 CD1 TRP A 53 0.079 5.840 3.012 1.00 41.31 C ATOM 851 CD2 TRP A 53 0.110 5.169 0.875 1.00 35.24 C ATOM 852 NE1 TRP A 53 1.059 4.884 2.846 1.00 52.53 N ATOM 853 CE2 TRP A 53 1.108 4.414 1.557 1.00 75.04 C ATOM 854 CE3 TRP A 53 -0.038 4.929 -0.507 1.00 54.13 C ATOM 855 CZ2 TRP A 53 1.899 3.454 0.911 1.00 12.43 C ATOM 856 CZ3 TRP A 53 0.771 3.993 -1.175 1.00 25.43 C ATOM 857 CH2 TRP A 53 1.728 3.241 -0.466 1.00 32.41 C ATOM 0 H TRP A 53 -3.992 7.949 1.408 1.00 40.21 H new ATOM 0 HA TRP A 53 -3.110 5.231 1.220 1.00 12.54 H new ATOM 0 HB2 TRP A 53 -1.796 7.247 0.624 1.00 1.51 H new ATOM 0 HB3 TRP A 53 -1.759 7.710 2.314 1.00 1.51 H new ATOM 0 HD1 TRP A 53 -0.134 6.362 3.933 1.00 41.31 H new ATOM 0 HE1 TRP A 53 1.675 4.564 3.593 1.00 52.53 H new ATOM 0 HE3 TRP A 53 -0.787 5.474 -1.062 1.00 54.13 H new ATOM 0 HZ2 TRP A 53 2.631 2.885 1.466 1.00 12.43 H new ATOM 0 HZ3 TRP A 53 0.658 3.850 -2.239 1.00 25.43 H new ATOM 0 HH2 TRP A 53 2.328 2.504 -0.979 1.00 32.41 H new ATOM 868 N ALA A 54 -2.672 4.474 3.648 1.00 40.21 N ATOM 869 CA ALA A 54 -2.722 3.794 4.935 1.00 42.45 C ATOM 870 C ALA A 54 -1.268 3.537 5.356 1.00 73.34 C ATOM 871 O ALA A 54 -0.501 3.048 4.523 1.00 52.44 O ATOM 872 CB ALA A 54 -3.542 2.512 4.753 1.00 32.13 C ATOM 0 H ALA A 54 -2.117 3.956 2.967 1.00 40.21 H new ATOM 0 HA ALA A 54 -3.204 4.374 5.722 1.00 42.45 H new ATOM 0 HB1 ALA A 54 -3.598 1.978 5.702 1.00 32.13 H new ATOM 0 HB2 ALA A 54 -4.548 2.768 4.420 1.00 32.13 H new ATOM 0 HB3 ALA A 54 -3.064 1.877 4.007 1.00 32.13 H new ATOM 878 N LEU A 55 -0.859 3.999 6.541 1.00 53.53 N ATOM 879 CA LEU A 55 0.524 4.091 7.008 1.00 44.14 C ATOM 880 C LEU A 55 1.051 2.734 7.462 1.00 23.40 C ATOM 881 O LEU A 55 0.621 2.189 8.472 1.00 33.34 O ATOM 882 CB LEU A 55 0.675 5.109 8.150 1.00 41.45 C ATOM 883 CG LEU A 55 0.664 6.573 7.679 1.00 64.25 C ATOM 884 CD1 LEU A 55 0.649 7.514 8.884 1.00 42.34 C ATOM 885 CD2 LEU A 55 1.893 6.907 6.813 1.00 60.34 C ATOM 0 H LEU A 55 -1.523 4.337 7.238 1.00 53.53 H new ATOM 0 HA LEU A 55 1.115 4.433 6.158 1.00 44.14 H new ATOM 0 HB2 LEU A 55 -0.133 4.961 8.866 1.00 41.45 H new ATOM 0 HB3 LEU A 55 1.608 4.914 8.678 1.00 41.45 H new ATOM 0 HG LEU A 55 -0.235 6.708 7.078 1.00 64.25 H new ATOM 0 HD11 LEU A 55 0.641 8.548 8.538 1.00 42.34 H new ATOM 0 HD12 LEU A 55 -0.242 7.325 9.482 1.00 42.34 H new ATOM 0 HD13 LEU A 55 1.537 7.341 9.492 1.00 42.34 H new ATOM 0 HD21 LEU A 55 1.846 7.950 6.501 1.00 60.34 H new ATOM 0 HD22 LEU A 55 2.802 6.742 7.392 1.00 60.34 H new ATOM 0 HD23 LEU A 55 1.902 6.265 5.932 1.00 60.34 H new ATOM 897 N LEU A 56 2.002 2.217 6.689 1.00 40.43 N ATOM 898 CA LEU A 56 2.501 0.854 6.747 1.00 73.31 C ATOM 899 C LEU A 56 3.747 0.784 7.630 1.00 64.05 C ATOM 900 O LEU A 56 4.627 1.652 7.525 1.00 42.13 O ATOM 901 CB LEU A 56 2.846 0.386 5.322 1.00 13.24 C ATOM 902 CG LEU A 56 1.736 0.609 4.275 1.00 21.44 C ATOM 903 CD1 LEU A 56 2.256 0.399 2.853 1.00 4.31 C ATOM 904 CD2 LEU A 56 0.504 -0.268 4.535 1.00 11.22 C ATOM 0 H LEU A 56 2.467 2.770 5.969 1.00 40.43 H new ATOM 0 HA LEU A 56 1.735 0.206 7.174 1.00 73.31 H new ATOM 0 HB2 LEU A 56 3.745 0.907 4.993 1.00 13.24 H new ATOM 0 HB3 LEU A 56 3.087 -0.677 5.353 1.00 13.24 H new ATOM 0 HG LEU A 56 1.423 1.648 4.375 1.00 21.44 H new ATOM 0 HD11 LEU A 56 1.447 0.564 2.142 1.00 4.31 H new ATOM 0 HD12 LEU A 56 3.064 1.103 2.653 1.00 4.31 H new ATOM 0 HD13 LEU A 56 2.628 -0.620 2.749 1.00 4.31 H new ATOM 0 HD21 LEU A 56 -0.249 -0.074 3.771 1.00 11.22 H new ATOM 0 HD22 LEU A 56 0.792 -1.319 4.502 1.00 11.22 H new ATOM 0 HD23 LEU A 56 0.092 -0.035 5.517 1.00 11.22 H new ATOM 916 N ASP A 57 3.831 -0.269 8.438 1.00 3.44 N ATOM 917 CA ASP A 57 4.879 -0.563 9.415 1.00 23.41 C ATOM 918 C ASP A 57 5.929 -1.491 8.805 1.00 74.33 C ATOM 919 O ASP A 57 5.889 -1.883 7.635 1.00 74.21 O ATOM 920 CB ASP A 57 4.243 -1.254 10.637 1.00 0.22 C ATOM 921 CG ASP A 57 4.899 -1.084 12.015 1.00 31.44 C ATOM 922 OD1 ASP A 57 6.148 -1.097 12.121 1.00 40.23 O ATOM 923 OD2 ASP A 57 4.151 -1.073 13.014 1.00 61.35 O ATOM 0 H ASP A 57 3.115 -0.995 8.427 1.00 3.44 H new ATOM 0 HA ASP A 57 5.361 0.368 9.714 1.00 23.41 H new ATOM 0 HB2 ASP A 57 3.215 -0.901 10.716 1.00 0.22 H new ATOM 0 HB3 ASP A 57 4.197 -2.322 10.424 1.00 0.22 H new ATOM 928 N GLU A 58 6.900 -1.848 9.630 1.00 21.40 N ATOM 929 CA GLU A 58 8.079 -2.596 9.251 1.00 0.24 C ATOM 930 C GLU A 58 7.711 -4.018 8.849 1.00 74.12 C ATOM 931 O GLU A 58 8.195 -4.527 7.835 1.00 2.52 O ATOM 932 CB GLU A 58 9.091 -2.586 10.406 1.00 52.30 C ATOM 933 CG GLU A 58 10.473 -2.771 9.786 1.00 35.21 C ATOM 934 CD GLU A 58 11.574 -3.132 10.782 1.00 44.22 C ATOM 935 OE1 GLU A 58 11.730 -2.410 11.793 1.00 54.44 O ATOM 936 OE2 GLU A 58 12.324 -4.103 10.538 1.00 14.55 O ATOM 0 H GLU A 58 6.884 -1.613 10.622 1.00 21.40 H new ATOM 0 HA GLU A 58 8.539 -2.122 8.384 1.00 0.24 H new ATOM 0 HB2 GLU A 58 9.038 -1.648 10.958 1.00 52.30 H new ATOM 0 HB3 GLU A 58 8.876 -3.385 11.115 1.00 52.30 H new ATOM 0 HG2 GLU A 58 10.415 -3.553 9.029 1.00 35.21 H new ATOM 0 HG3 GLU A 58 10.753 -1.851 9.273 1.00 35.21 H new ATOM 943 N GLU A 59 6.851 -4.659 9.636 1.00 55.32 N ATOM 944 CA GLU A 59 6.334 -5.981 9.322 1.00 55.22 C ATOM 945 C GLU A 59 5.353 -5.947 8.149 1.00 14.12 C ATOM 946 O GLU A 59 5.166 -6.958 7.464 1.00 20.44 O ATOM 947 CB GLU A 59 5.626 -6.552 10.544 1.00 61.04 C ATOM 948 CG GLU A 59 6.603 -6.942 11.658 1.00 33.02 C ATOM 949 CD GLU A 59 5.979 -8.095 12.427 1.00 0.24 C ATOM 950 OE1 GLU A 59 5.234 -7.869 13.390 1.00 22.34 O ATOM 951 OE2 GLU A 59 6.146 -9.237 11.914 1.00 20.00 O ATOM 0 H GLU A 59 6.495 -4.273 10.510 1.00 55.32 H new ATOM 0 HA GLU A 59 7.179 -6.608 9.039 1.00 55.22 H new ATOM 0 HB2 GLU A 59 4.918 -5.817 10.927 1.00 61.04 H new ATOM 0 HB3 GLU A 59 5.048 -7.428 10.249 1.00 61.04 H new ATOM 0 HG2 GLU A 59 7.565 -7.236 11.239 1.00 33.02 H new ATOM 0 HG3 GLU A 59 6.789 -6.096 12.319 1.00 33.02 H new ATOM 958 N THR A 60 4.724 -4.797 7.906 1.00 72.25 N ATOM 959 CA THR A 60 3.776 -4.637 6.825 1.00 61.44 C ATOM 960 C THR A 60 4.485 -4.835 5.488 1.00 54.24 C ATOM 961 O THR A 60 3.980 -5.563 4.633 1.00 61.04 O ATOM 962 CB THR A 60 3.104 -3.263 6.929 1.00 72.31 C ATOM 963 OG1 THR A 60 2.689 -2.986 8.245 1.00 13.20 O ATOM 964 CG2 THR A 60 1.890 -3.204 6.020 1.00 15.10 C ATOM 0 H THR A 60 4.864 -3.953 8.461 1.00 72.25 H new ATOM 0 HA THR A 60 2.992 -5.391 6.895 1.00 61.44 H new ATOM 0 HB THR A 60 3.842 -2.520 6.627 1.00 72.31 H new ATOM 0 HG1 THR A 60 1.816 -2.542 8.226 1.00 13.20 H new ATOM 0 HG21 THR A 60 1.421 -2.223 6.102 1.00 15.10 H new ATOM 0 HG22 THR A 60 2.199 -3.373 4.989 1.00 15.10 H new ATOM 0 HG23 THR A 60 1.177 -3.973 6.315 1.00 15.10 H new ATOM 972 N LEU A 61 5.667 -4.236 5.318 1.00 15.12 N ATOM 973 CA LEU A 61 6.501 -4.402 4.139 1.00 14.11 C ATOM 974 C LEU A 61 7.633 -5.371 4.480 1.00 21.32 C ATOM 975 O LEU A 61 8.815 -5.013 4.381 1.00 53.43 O ATOM 976 CB LEU A 61 7.041 -3.062 3.610 1.00 25.01 C ATOM 977 CG LEU A 61 6.119 -2.088 2.870 1.00 70.32 C ATOM 978 CD1 LEU A 61 5.423 -2.703 1.652 1.00 2.31 C ATOM 979 CD2 LEU A 61 5.120 -1.444 3.817 1.00 43.51 C ATOM 0 H LEU A 61 6.073 -3.611 6.014 1.00 15.12 H new ATOM 0 HA LEU A 61 5.895 -4.813 3.331 1.00 14.11 H new ATOM 0 HB2 LEU A 61 7.458 -2.525 4.462 1.00 25.01 H new ATOM 0 HB3 LEU A 61 7.870 -3.291 2.940 1.00 25.01 H new ATOM 0 HG LEU A 61 6.768 -1.307 2.474 1.00 70.32 H new ATOM 0 HD11 LEU A 61 4.787 -1.954 1.180 1.00 2.31 H new ATOM 0 HD12 LEU A 61 6.173 -3.045 0.939 1.00 2.31 H new ATOM 0 HD13 LEU A 61 4.813 -3.548 1.970 1.00 2.31 H new ATOM 0 HD21 LEU A 61 4.481 -0.759 3.260 1.00 43.51 H new ATOM 0 HD22 LEU A 61 4.507 -2.217 4.280 1.00 43.51 H new ATOM 0 HD23 LEU A 61 5.655 -0.894 4.591 1.00 43.51 H new ATOM 991 N LYS A 62 7.296 -6.606 4.866 1.00 4.11 N ATOM 992 CA LYS A 62 8.273 -7.671 5.079 1.00 71.15 C ATOM 993 C LYS A 62 7.918 -8.899 4.261 1.00 51.15 C ATOM 994 O LYS A 62 6.750 -9.155 3.975 1.00 70.13 O ATOM 995 CB LYS A 62 8.347 -8.037 6.563 1.00 52.54 C ATOM 996 CG LYS A 62 9.778 -7.940 7.086 1.00 4.31 C ATOM 997 CD LYS A 62 9.954 -8.508 8.501 1.00 44.32 C ATOM 998 CE LYS A 62 9.911 -10.045 8.497 1.00 34.43 C ATOM 999 NZ LYS A 62 11.183 -10.647 8.943 1.00 12.25 N ATOM 0 H LYS A 62 6.333 -6.893 5.039 1.00 4.11 H new ATOM 0 HA LYS A 62 9.248 -7.307 4.754 1.00 71.15 H new ATOM 0 HB2 LYS A 62 7.702 -7.372 7.137 1.00 52.54 H new ATOM 0 HB3 LYS A 62 7.972 -9.050 6.709 1.00 52.54 H new ATOM 0 HG2 LYS A 62 10.442 -8.472 6.405 1.00 4.31 H new ATOM 0 HG3 LYS A 62 10.088 -6.895 7.082 1.00 4.31 H new ATOM 0 HD2 LYS A 62 10.904 -8.170 8.915 1.00 44.32 H new ATOM 0 HD3 LYS A 62 9.168 -8.122 9.150 1.00 44.32 H new ATOM 0 HE2 LYS A 62 9.104 -10.384 9.147 1.00 34.43 H new ATOM 0 HE3 LYS A 62 9.679 -10.396 7.491 1.00 34.43 H new ATOM 0 HZ1 LYS A 62 11.102 -11.684 8.922 1.00 12.25 H new ATOM 0 HZ2 LYS A 62 11.950 -10.347 8.309 1.00 12.25 H new ATOM 0 HZ3 LYS A 62 11.393 -10.335 9.913 1.00 12.25 H new ATOM 1013 N GLU A 63 8.926 -9.706 3.962 1.00 13.21 N ATOM 1014 CA GLU A 63 8.784 -10.910 3.143 1.00 31.10 C ATOM 1015 C GLU A 63 8.593 -12.126 4.072 1.00 3.41 C ATOM 1016 O GLU A 63 9.105 -12.135 5.200 1.00 31.00 O ATOM 1017 CB GLU A 63 10.006 -11.058 2.207 1.00 61.03 C ATOM 1018 CG GLU A 63 10.243 -9.827 1.314 1.00 22.40 C ATOM 1019 CD GLU A 63 11.575 -9.897 0.552 1.00 30.35 C ATOM 1020 OE1 GLU A 63 12.644 -9.577 1.108 1.00 10.42 O ATOM 1021 OE2 GLU A 63 11.538 -10.231 -0.664 1.00 14.42 O ATOM 0 H GLU A 63 9.880 -9.544 4.284 1.00 13.21 H new ATOM 0 HA GLU A 63 7.905 -10.839 2.502 1.00 31.10 H new ATOM 0 HB2 GLU A 63 10.896 -11.238 2.809 1.00 61.03 H new ATOM 0 HB3 GLU A 63 9.866 -11.935 1.575 1.00 61.03 H new ATOM 0 HG2 GLU A 63 9.424 -9.738 0.600 1.00 22.40 H new ATOM 0 HG3 GLU A 63 10.228 -8.928 1.930 1.00 22.40 H new ATOM 1028 N GLY A 64 7.839 -13.137 3.632 1.00 73.42 N ATOM 1029 CA GLY A 64 7.566 -14.392 4.337 1.00 21.00 C ATOM 1030 C GLY A 64 6.080 -14.772 4.308 1.00 10.54 C ATOM 1031 O GLY A 64 5.234 -13.993 3.865 1.00 44.33 O ATOM 0 H GLY A 64 7.377 -13.099 2.723 1.00 73.42 H new ATOM 0 HA2 GLY A 64 8.151 -15.193 3.886 1.00 21.00 H new ATOM 0 HA3 GLY A 64 7.894 -14.302 5.372 1.00 21.00 H new ATOM 1035 N ARG A 65 5.753 -15.983 4.778 1.00 4.24 N ATOM 1036 CA ARG A 65 4.393 -16.480 4.998 1.00 30.44 C ATOM 1037 C ARG A 65 4.060 -16.489 6.491 1.00 53.12 C ATOM 1038 O ARG A 65 4.963 -16.598 7.327 1.00 62.24 O ATOM 1039 CB ARG A 65 4.227 -17.889 4.390 1.00 71.45 C ATOM 1040 CG ARG A 65 4.434 -17.856 2.870 1.00 44.43 C ATOM 1041 CD ARG A 65 3.755 -18.995 2.107 1.00 51.23 C ATOM 1042 NE ARG A 65 4.445 -20.288 2.239 1.00 64.03 N ATOM 1043 CZ ARG A 65 4.074 -21.448 1.681 1.00 73.33 C ATOM 1044 NH1 ARG A 65 2.949 -21.532 0.980 1.00 30.34 N ATOM 1045 NH2 ARG A 65 4.835 -22.526 1.830 1.00 24.40 N ATOM 0 H ARG A 65 6.463 -16.672 5.026 1.00 4.24 H new ATOM 0 HA ARG A 65 3.694 -15.809 4.498 1.00 30.44 H new ATOM 0 HB2 ARG A 65 4.944 -18.572 4.844 1.00 71.45 H new ATOM 0 HB3 ARG A 65 3.233 -18.273 4.618 1.00 71.45 H new ATOM 0 HG2 ARG A 65 4.060 -16.907 2.487 1.00 44.43 H new ATOM 0 HG3 ARG A 65 5.504 -17.885 2.662 1.00 44.43 H new ATOM 0 HD2 ARG A 65 2.731 -19.101 2.465 1.00 51.23 H new ATOM 0 HD3 ARG A 65 3.697 -18.730 1.051 1.00 51.23 H new ATOM 0 HE ARG A 65 5.289 -20.302 2.812 1.00 64.03 H new ATOM 0 HH11 ARG A 65 2.359 -20.709 0.863 1.00 30.34 H new ATOM 0 HH12 ARG A 65 2.675 -22.420 0.559 1.00 30.34 H new ATOM 0 HH21 ARG A 65 5.700 -22.469 2.368 1.00 24.40 H new ATOM 0 HH22 ARG A 65 4.555 -23.411 1.406 1.00 24.40 H new ATOM 1059 N THR A 66 2.780 -16.444 6.834 1.00 32.00 N ATOM 1060 CA THR A 66 2.256 -16.326 8.193 1.00 63.12 C ATOM 1061 C THR A 66 0.959 -17.143 8.314 1.00 63.41 C ATOM 1062 O THR A 66 0.346 -17.508 7.307 1.00 13.43 O ATOM 1063 CB THR A 66 2.072 -14.821 8.493 1.00 44.31 C ATOM 1064 OG1 THR A 66 3.333 -14.177 8.507 1.00 41.14 O ATOM 1065 CG2 THR A 66 1.371 -14.501 9.810 1.00 33.44 C ATOM 0 H THR A 66 2.037 -16.491 6.136 1.00 32.00 H new ATOM 0 HA THR A 66 2.940 -16.735 8.937 1.00 63.12 H new ATOM 0 HB THR A 66 1.425 -14.457 7.695 1.00 44.31 H new ATOM 0 HG1 THR A 66 3.211 -13.223 8.696 1.00 41.14 H new ATOM 0 HG21 THR A 66 1.291 -13.420 9.926 1.00 33.44 H new ATOM 0 HG22 THR A 66 0.373 -14.940 9.807 1.00 33.44 H new ATOM 0 HG23 THR A 66 1.947 -14.914 10.638 1.00 33.44 H new ATOM 1146 N THR A 73 -3.607 -18.819 5.735 1.00 22.33 N ATOM 1147 CA THR A 73 -2.206 -18.693 5.370 1.00 2.42 C ATOM 1148 C THR A 73 -2.052 -17.350 4.658 1.00 24.44 C ATOM 1149 O THR A 73 -2.642 -17.169 3.595 1.00 33.02 O ATOM 1150 CB THR A 73 -1.782 -19.861 4.459 1.00 42.55 C ATOM 1151 OG1 THR A 73 -2.022 -21.136 5.035 1.00 1.20 O ATOM 1152 CG2 THR A 73 -0.289 -19.749 4.144 1.00 3.31 C ATOM 0 HA THR A 73 -1.564 -18.730 6.250 1.00 2.42 H new ATOM 0 HB THR A 73 -2.388 -19.785 3.556 1.00 42.55 H new ATOM 0 HG1 THR A 73 -2.759 -21.071 5.677 1.00 1.20 H new ATOM 0 HG21 THR A 73 0.010 -20.576 3.500 1.00 3.31 H new ATOM 0 HG22 THR A 73 -0.094 -18.804 3.636 1.00 3.31 H new ATOM 0 HG23 THR A 73 0.282 -19.787 5.071 1.00 3.31 H new ATOM 1160 N TYR A 74 -1.282 -16.420 5.223 1.00 2.52 N ATOM 1161 CA TYR A 74 -0.921 -15.157 4.585 1.00 70.24 C ATOM 1162 C TYR A 74 0.462 -15.292 3.948 1.00 63.35 C ATOM 1163 O TYR A 74 1.308 -16.027 4.463 1.00 32.41 O ATOM 1164 CB TYR A 74 -0.913 -14.042 5.636 1.00 34.12 C ATOM 1165 CG TYR A 74 -0.667 -12.643 5.100 1.00 5.52 C ATOM 1166 CD1 TYR A 74 -1.461 -12.124 4.059 1.00 22.13 C ATOM 1167 CD2 TYR A 74 0.343 -11.842 5.663 1.00 21.42 C ATOM 1168 CE1 TYR A 74 -1.274 -10.809 3.595 1.00 74.15 C ATOM 1169 CE2 TYR A 74 0.541 -10.530 5.206 1.00 34.21 C ATOM 1170 CZ TYR A 74 -0.273 -10.001 4.181 1.00 51.52 C ATOM 1171 OH TYR A 74 -0.079 -8.719 3.766 1.00 54.41 O ATOM 0 H TYR A 74 -0.884 -16.527 6.156 1.00 2.52 H new ATOM 0 HA TYR A 74 -1.648 -14.910 3.811 1.00 70.24 H new ATOM 0 HB2 TYR A 74 -1.871 -14.050 6.157 1.00 34.12 H new ATOM 0 HB3 TYR A 74 -0.146 -14.269 6.376 1.00 34.12 H new ATOM 0 HD1 TYR A 74 -2.224 -12.744 3.611 1.00 22.13 H new ATOM 0 HD2 TYR A 74 0.968 -12.238 6.450 1.00 21.42 H new ATOM 0 HE1 TYR A 74 -1.890 -10.420 2.798 1.00 74.15 H new ATOM 0 HE2 TYR A 74 1.320 -9.922 5.641 1.00 34.21 H new ATOM 0 HH TYR A 74 0.650 -8.315 4.281 1.00 54.41 H new ATOM 1181 N ILE A 75 0.714 -14.586 2.847 1.00 2.43 N ATOM 1182 CA ILE A 75 1.973 -14.513 2.134 1.00 44.51 C ATOM 1183 C ILE A 75 2.284 -13.042 1.892 1.00 5.52 C ATOM 1184 O ILE A 75 1.388 -12.218 1.695 1.00 70.35 O ATOM 1185 CB ILE A 75 1.838 -15.261 0.790 1.00 31.33 C ATOM 1186 CG1 ILE A 75 1.315 -16.700 0.980 1.00 45.31 C ATOM 1187 CG2 ILE A 75 3.173 -15.307 0.018 1.00 45.13 C ATOM 1188 CD1 ILE A 75 -0.201 -16.859 0.958 1.00 71.45 C ATOM 0 H ILE A 75 -0.008 -14.015 2.407 1.00 2.43 H new ATOM 0 HA ILE A 75 2.777 -14.974 2.708 1.00 44.51 H new ATOM 0 HB ILE A 75 1.112 -14.695 0.206 1.00 31.33 H new ATOM 0 HG12 ILE A 75 1.739 -17.328 0.197 1.00 45.31 H new ATOM 0 HG13 ILE A 75 1.688 -17.080 1.931 1.00 45.31 H new ATOM 0 HG21 ILE A 75 3.032 -15.842 -0.921 1.00 45.13 H new ATOM 0 HG22 ILE A 75 3.508 -14.291 -0.190 1.00 45.13 H new ATOM 0 HG23 ILE A 75 3.923 -15.820 0.619 1.00 45.13 H new ATOM 0 HD11 ILE A 75 -0.459 -17.908 1.100 1.00 71.45 H new ATOM 0 HD12 ILE A 75 -0.641 -16.265 1.760 1.00 71.45 H new ATOM 0 HD13 ILE A 75 -0.589 -16.517 -0.002 1.00 71.45 H new ATOM 1200 N SER A 76 3.565 -12.698 1.839 1.00 21.13 N ATOM 1201 CA SER A 76 4.058 -11.430 1.336 1.00 50.12 C ATOM 1202 C SER A 76 5.425 -11.726 0.728 1.00 14.14 C ATOM 1203 O SER A 76 6.291 -12.278 1.414 1.00 10.13 O ATOM 1204 CB SER A 76 4.171 -10.442 2.503 1.00 11.44 C ATOM 1205 OG SER A 76 2.939 -10.343 3.194 1.00 45.42 O ATOM 0 H SER A 76 4.311 -13.317 2.156 1.00 21.13 H new ATOM 0 HA SER A 76 3.397 -10.985 0.592 1.00 50.12 H new ATOM 0 HB2 SER A 76 4.953 -10.768 3.188 1.00 11.44 H new ATOM 0 HB3 SER A 76 4.464 -9.461 2.129 1.00 11.44 H new ATOM 0 HG SER A 76 2.977 -10.884 4.010 1.00 45.42 H new ATOM 1211 N HIS A 77 5.626 -11.423 -0.552 1.00 34.32 N ATOM 1212 CA HIS A 77 6.963 -11.326 -1.110 1.00 73.35 C ATOM 1213 C HIS A 77 7.003 -10.332 -2.267 1.00 14.53 C ATOM 1214 O HIS A 77 5.993 -10.064 -2.923 1.00 71.43 O ATOM 1215 CB HIS A 77 7.461 -12.710 -1.534 1.00 74.45 C ATOM 1216 CG HIS A 77 6.543 -13.554 -2.397 1.00 11.41 C ATOM 1217 ND1 HIS A 77 6.644 -14.923 -2.455 1.00 73.33 N ATOM 1218 CD2 HIS A 77 5.538 -13.170 -3.263 1.00 71.25 C ATOM 1219 CE1 HIS A 77 5.758 -15.354 -3.361 1.00 14.14 C ATOM 1220 NE2 HIS A 77 5.089 -14.327 -3.910 1.00 13.53 N ATOM 0 H HIS A 77 4.876 -11.241 -1.219 1.00 34.32 H new ATOM 0 HA HIS A 77 7.636 -10.948 -0.340 1.00 73.35 H new ATOM 0 HB2 HIS A 77 8.400 -12.579 -2.072 1.00 74.45 H new ATOM 0 HB3 HIS A 77 7.687 -13.277 -0.631 1.00 74.45 H new ATOM 0 HD2 HIS A 77 5.168 -12.166 -3.413 1.00 71.25 H new ATOM 0 HE1 HIS A 77 5.602 -16.392 -3.617 1.00 14.14 H new ATOM 0 HE2 HIS A 77 4.391 -14.380 -4.652 1.00 13.53 H new ATOM 1228 N PHE A 78 8.196 -9.815 -2.564 1.00 70.42 N ATOM 1229 CA PHE A 78 8.382 -9.034 -3.774 1.00 41.54 C ATOM 1230 C PHE A 78 8.248 -9.989 -4.960 1.00 24.20 C ATOM 1231 O PHE A 78 8.627 -11.164 -4.867 1.00 51.23 O ATOM 1232 CB PHE A 78 9.749 -8.338 -3.756 1.00 3.52 C ATOM 1233 CG PHE A 78 9.858 -7.171 -2.788 1.00 22.35 C ATOM 1234 CD1 PHE A 78 9.883 -7.401 -1.403 1.00 21.04 C ATOM 1235 CD2 PHE A 78 9.947 -5.852 -3.263 1.00 41.34 C ATOM 1236 CE1 PHE A 78 9.993 -6.336 -0.497 1.00 50.11 C ATOM 1237 CE2 PHE A 78 10.057 -4.776 -2.362 1.00 64.11 C ATOM 1238 CZ PHE A 78 10.082 -5.019 -0.978 1.00 11.11 C ATOM 0 H PHE A 78 9.032 -9.924 -1.990 1.00 70.42 H new ATOM 0 HA PHE A 78 7.632 -8.247 -3.851 1.00 41.54 H new ATOM 0 HB2 PHE A 78 10.512 -9.074 -3.503 1.00 3.52 H new ATOM 0 HB3 PHE A 78 9.972 -7.980 -4.761 1.00 3.52 H new ATOM 0 HD1 PHE A 78 9.817 -8.412 -1.030 1.00 21.04 H new ATOM 0 HD2 PHE A 78 9.931 -5.662 -4.326 1.00 41.34 H new ATOM 0 HE1 PHE A 78 10.009 -6.528 0.566 1.00 50.11 H new ATOM 0 HE2 PHE A 78 10.122 -3.764 -2.734 1.00 64.11 H new ATOM 0 HZ PHE A 78 10.169 -4.195 -0.286 1.00 11.11 H new ATOM 1248 N THR A 79 7.737 -9.496 -6.078 1.00 42.42 N ATOM 1249 CA THR A 79 7.418 -10.287 -7.268 1.00 21.01 C ATOM 1250 C THR A 79 8.327 -9.940 -8.448 1.00 65.12 C ATOM 1251 O THR A 79 8.109 -10.383 -9.575 1.00 62.43 O ATOM 1252 CB THR A 79 5.924 -10.099 -7.572 1.00 34.22 C ATOM 1253 OG1 THR A 79 5.511 -8.768 -7.319 1.00 11.31 O ATOM 1254 CG2 THR A 79 5.129 -11.043 -6.668 1.00 10.44 C ATOM 0 H THR A 79 7.525 -8.505 -6.191 1.00 42.42 H new ATOM 0 HA THR A 79 7.608 -11.344 -7.082 1.00 21.01 H new ATOM 0 HB THR A 79 5.748 -10.317 -8.625 1.00 34.22 H new ATOM 0 HG1 THR A 79 4.557 -8.677 -7.523 1.00 11.31 H new ATOM 0 HG21 THR A 79 4.064 -10.926 -6.867 1.00 10.44 H new ATOM 0 HG22 THR A 79 5.425 -12.073 -6.868 1.00 10.44 H new ATOM 0 HG23 THR A 79 5.331 -10.803 -5.624 1.00 10.44 H new ATOM 1262 N VAL A 80 9.357 -9.145 -8.193 1.00 41.31 N ATOM 1263 CA VAL A 80 10.259 -8.579 -9.178 1.00 25.15 C ATOM 1264 C VAL A 80 11.582 -8.375 -8.439 1.00 62.10 C ATOM 1265 O VAL A 80 11.594 -8.266 -7.208 1.00 32.25 O ATOM 1266 CB VAL A 80 9.635 -7.264 -9.718 1.00 25.24 C ATOM 1267 CG1 VAL A 80 9.157 -6.374 -8.574 1.00 30.20 C ATOM 1268 CG2 VAL A 80 10.585 -6.453 -10.608 1.00 10.45 C ATOM 0 H VAL A 80 9.596 -8.865 -7.242 1.00 41.31 H new ATOM 0 HA VAL A 80 10.429 -9.211 -10.050 1.00 25.15 H new ATOM 0 HB VAL A 80 8.792 -7.579 -10.333 1.00 25.24 H new ATOM 0 HG11 VAL A 80 8.724 -5.460 -8.981 1.00 30.20 H new ATOM 0 HG12 VAL A 80 8.404 -6.904 -7.991 1.00 30.20 H new ATOM 0 HG13 VAL A 80 10.001 -6.122 -7.932 1.00 30.20 H new ATOM 0 HG21 VAL A 80 10.081 -5.548 -10.948 1.00 10.45 H new ATOM 0 HG22 VAL A 80 11.474 -6.181 -10.039 1.00 10.45 H new ATOM 0 HG23 VAL A 80 10.876 -7.053 -11.470 1.00 10.45 H new ATOM 1278 N ASN A 81 12.697 -8.302 -9.166 1.00 5.15 N ATOM 1279 CA ASN A 81 13.938 -7.787 -8.609 1.00 72.21 C ATOM 1280 C ASN A 81 14.712 -7.112 -9.726 1.00 33.24 C ATOM 1281 O ASN A 81 15.567 -7.733 -10.353 1.00 34.33 O ATOM 1282 CB ASN A 81 14.743 -8.899 -7.920 1.00 41.23 C ATOM 1283 CG ASN A 81 15.968 -8.334 -7.211 1.00 22.31 C ATOM 1284 OD1 ASN A 81 15.948 -8.162 -5.999 1.00 12.11 O ATOM 1285 ND2 ASN A 81 17.021 -7.958 -7.917 1.00 54.14 N ATOM 0 H ASN A 81 12.762 -8.594 -10.141 1.00 5.15 H new ATOM 0 HA ASN A 81 13.728 -7.053 -7.831 1.00 72.21 H new ATOM 0 HB2 ASN A 81 14.110 -9.417 -7.200 1.00 41.23 H new ATOM 0 HB3 ASN A 81 15.055 -9.637 -8.659 1.00 41.23 H new ATOM 0 HD21 ASN A 81 17.818 -7.524 -7.452 1.00 54.14 H new ATOM 0 HD22 ASN A 81 17.036 -8.102 -8.927 1.00 54.14 H new ATOM 1292 N GLU A 82 14.385 -5.860 -10.021 1.00 73.33 N ATOM 1293 CA GLU A 82 15.205 -5.004 -10.872 1.00 33.04 C ATOM 1294 C GLU A 82 15.921 -4.009 -9.954 1.00 22.22 C ATOM 1295 O GLU A 82 15.448 -3.785 -8.828 1.00 52.20 O ATOM 1296 CB GLU A 82 14.306 -4.273 -11.886 1.00 11.13 C ATOM 1297 CG GLU A 82 13.836 -5.170 -13.038 1.00 63.32 C ATOM 1298 CD GLU A 82 14.995 -5.703 -13.884 1.00 33.31 C ATOM 1299 OE1 GLU A 82 15.858 -4.906 -14.304 1.00 13.13 O ATOM 1300 OE2 GLU A 82 15.027 -6.938 -14.112 1.00 53.12 O ATOM 0 H GLU A 82 13.539 -5.407 -9.675 1.00 73.33 H new ATOM 0 HA GLU A 82 15.936 -5.583 -11.436 1.00 33.04 H new ATOM 0 HB2 GLU A 82 13.435 -3.874 -11.367 1.00 11.13 H new ATOM 0 HB3 GLU A 82 14.850 -3.422 -12.296 1.00 11.13 H new ATOM 0 HG2 GLU A 82 13.272 -6.010 -12.632 1.00 63.32 H new ATOM 0 HG3 GLU A 82 13.155 -4.607 -13.676 1.00 63.32 H new ATOM 1307 N PRO A 83 17.013 -3.374 -10.419 1.00 12.55 N ATOM 1308 CA PRO A 83 17.720 -2.378 -9.633 1.00 12.44 C ATOM 1309 C PRO A 83 16.845 -1.156 -9.342 1.00 2.52 C ATOM 1310 O PRO A 83 16.990 -0.577 -8.270 1.00 4.24 O ATOM 1311 CB PRO A 83 18.968 -2.011 -10.435 1.00 45.40 C ATOM 1312 CG PRO A 83 18.632 -2.398 -11.872 1.00 32.22 C ATOM 1313 CD PRO A 83 17.692 -3.588 -11.691 1.00 70.03 C ATOM 0 HA PRO A 83 17.990 -2.772 -8.653 1.00 12.44 H new ATOM 0 HB2 PRO A 83 19.193 -0.948 -10.353 1.00 45.40 H new ATOM 0 HB3 PRO A 83 19.844 -2.550 -10.074 1.00 45.40 H new ATOM 0 HG2 PRO A 83 18.151 -1.581 -12.409 1.00 32.22 H new ATOM 0 HG3 PRO A 83 19.524 -2.669 -12.437 1.00 32.22 H new ATOM 0 HD2 PRO A 83 16.976 -3.648 -12.510 1.00 70.03 H new ATOM 0 HD3 PRO A 83 18.247 -4.526 -11.684 1.00 70.03 H new ATOM 1321 N ALA A 84 15.932 -0.798 -10.255 1.00 24.31 N ATOM 1322 CA ALA A 84 15.161 0.441 -10.219 1.00 33.22 C ATOM 1323 C ALA A 84 13.645 0.230 -10.149 1.00 73.00 C ATOM 1324 O ALA A 84 12.903 1.210 -10.161 1.00 34.14 O ATOM 1325 CB ALA A 84 15.525 1.269 -11.458 1.00 30.21 C ATOM 0 H ALA A 84 15.707 -1.383 -11.060 1.00 24.31 H new ATOM 0 HA ALA A 84 15.423 0.963 -9.299 1.00 33.22 H new ATOM 0 HB1 ALA A 84 14.960 2.201 -11.452 1.00 30.21 H new ATOM 0 HB2 ALA A 84 16.592 1.492 -11.446 1.00 30.21 H new ATOM 0 HB3 ALA A 84 15.282 0.703 -12.358 1.00 30.21 H new ATOM 1331 N HIS A 85 13.160 -1.015 -10.099 1.00 22.45 N ATOM 1332 CA HIS A 85 11.729 -1.293 -10.118 1.00 1.43 C ATOM 1333 C HIS A 85 11.449 -2.446 -9.165 1.00 34.13 C ATOM 1334 O HIS A 85 12.125 -3.476 -9.227 1.00 70.31 O ATOM 1335 CB HIS A 85 11.292 -1.604 -11.556 1.00 3.14 C ATOM 1336 CG HIS A 85 9.807 -1.538 -11.796 1.00 73.30 C ATOM 1337 ND1 HIS A 85 8.905 -0.691 -11.181 1.00 45.43 N ATOM 1338 CD2 HIS A 85 9.148 -2.211 -12.790 1.00 5.34 C ATOM 1339 CE1 HIS A 85 7.727 -0.843 -11.807 1.00 32.15 C ATOM 1340 NE2 HIS A 85 7.823 -1.759 -12.788 1.00 64.41 N ATOM 0 H HIS A 85 13.746 -1.848 -10.045 1.00 22.45 H new ATOM 0 HA HIS A 85 11.154 -0.430 -9.784 1.00 1.43 H new ATOM 0 HB2 HIS A 85 11.786 -0.904 -12.230 1.00 3.14 H new ATOM 0 HB3 HIS A 85 11.644 -2.601 -11.819 1.00 3.14 H new ATOM 0 HD1 HIS A 85 9.098 -0.067 -10.398 1.00 45.43 H new ATOM 0 HD2 HIS A 85 9.571 -2.952 -13.452 1.00 5.34 H new ATOM 0 HE1 HIS A 85 6.825 -0.304 -11.557 1.00 32.15 H new ATOM 1348 N LYS A 86 10.497 -2.269 -8.246 1.00 2.13 N ATOM 1349 CA LYS A 86 10.103 -3.291 -7.279 1.00 11.24 C ATOM 1350 C LYS A 86 8.588 -3.235 -7.088 1.00 24.32 C ATOM 1351 O LYS A 86 7.990 -2.184 -7.306 1.00 70.35 O ATOM 1352 CB LYS A 86 10.883 -3.104 -5.964 1.00 41.14 C ATOM 1353 CG LYS A 86 12.370 -3.428 -6.178 1.00 61.24 C ATOM 1354 CD LYS A 86 13.146 -3.638 -4.879 1.00 25.14 C ATOM 1355 CE LYS A 86 14.657 -3.729 -5.148 1.00 51.14 C ATOM 1356 NZ LYS A 86 14.998 -4.735 -6.174 1.00 2.42 N ATOM 0 H LYS A 86 9.972 -1.399 -8.153 1.00 2.13 H new ATOM 0 HA LYS A 86 10.353 -4.286 -7.647 1.00 11.24 H new ATOM 0 HB2 LYS A 86 10.774 -2.079 -5.611 1.00 41.14 H new ATOM 0 HB3 LYS A 86 10.469 -3.753 -5.192 1.00 41.14 H new ATOM 0 HG2 LYS A 86 12.453 -4.327 -6.789 1.00 61.24 H new ATOM 0 HG3 LYS A 86 12.832 -2.616 -6.740 1.00 61.24 H new ATOM 0 HD2 LYS A 86 12.944 -2.815 -4.194 1.00 25.14 H new ATOM 0 HD3 LYS A 86 12.804 -4.551 -4.391 1.00 25.14 H new ATOM 0 HE2 LYS A 86 15.024 -2.753 -5.467 1.00 51.14 H new ATOM 0 HE3 LYS A 86 15.172 -3.975 -4.220 1.00 51.14 H new ATOM 0 HZ1 LYS A 86 15.887 -5.208 -5.914 1.00 2.42 H new ATOM 0 HZ2 LYS A 86 14.236 -5.440 -6.236 1.00 2.42 H new ATOM 0 HZ3 LYS A 86 15.112 -4.266 -7.095 1.00 2.42 H new ATOM 1370 N GLU A 87 7.968 -4.327 -6.649 1.00 3.31 N ATOM 1371 CA GLU A 87 6.545 -4.418 -6.347 1.00 71.13 C ATOM 1372 C GLU A 87 6.406 -5.191 -5.032 1.00 13.14 C ATOM 1373 O GLU A 87 7.226 -6.078 -4.773 1.00 22.40 O ATOM 1374 CB GLU A 87 5.752 -5.143 -7.460 1.00 65.15 C ATOM 1375 CG GLU A 87 5.988 -4.669 -8.903 1.00 45.32 C ATOM 1376 CD GLU A 87 4.864 -5.076 -9.854 1.00 62.33 C ATOM 1377 OE1 GLU A 87 4.323 -6.199 -9.740 1.00 51.12 O ATOM 1378 OE2 GLU A 87 4.607 -4.320 -10.822 1.00 12.42 O ATOM 0 H GLU A 87 8.462 -5.205 -6.488 1.00 3.31 H new ATOM 0 HA GLU A 87 6.133 -3.412 -6.272 1.00 71.13 H new ATOM 0 HB2 GLU A 87 5.990 -6.206 -7.409 1.00 65.15 H new ATOM 0 HB3 GLU A 87 4.689 -5.043 -7.240 1.00 65.15 H new ATOM 0 HG2 GLU A 87 6.089 -3.584 -8.912 1.00 45.32 H new ATOM 0 HG3 GLU A 87 6.930 -5.080 -9.265 1.00 45.32 H new ATOM 1385 N PHE A 88 5.359 -4.901 -4.247 1.00 5.41 N ATOM 1386 CA PHE A 88 5.011 -5.630 -3.015 1.00 34.23 C ATOM 1387 C PHE A 88 3.660 -6.297 -3.213 1.00 34.03 C ATOM 1388 O PHE A 88 2.639 -5.672 -2.989 1.00 43.54 O ATOM 1389 CB PHE A 88 5.136 -4.803 -1.702 1.00 22.24 C ATOM 1390 CG PHE A 88 5.209 -5.603 -0.421 1.00 72.03 C ATOM 1391 CD1 PHE A 88 4.005 -6.023 0.165 1.00 72.35 C ATOM 1392 CD2 PHE A 88 6.427 -5.840 0.246 1.00 41.55 C ATOM 1393 CE1 PHE A 88 4.001 -6.624 1.426 1.00 70.04 C ATOM 1394 CE2 PHE A 88 6.427 -6.506 1.486 1.00 70.01 C ATOM 1395 CZ PHE A 88 5.211 -6.892 2.084 1.00 44.42 C ATOM 0 H PHE A 88 4.715 -4.137 -4.454 1.00 5.41 H new ATOM 0 HA PHE A 88 5.764 -6.402 -2.853 1.00 34.23 H new ATOM 0 HB2 PHE A 88 6.029 -4.182 -1.771 1.00 22.24 H new ATOM 0 HB3 PHE A 88 4.282 -4.128 -1.638 1.00 22.24 H new ATOM 0 HD1 PHE A 88 3.074 -5.880 -0.363 1.00 72.35 H new ATOM 0 HD2 PHE A 88 7.358 -5.512 -0.193 1.00 41.55 H new ATOM 0 HE1 PHE A 88 3.064 -6.883 1.896 1.00 70.04 H new ATOM 0 HE2 PHE A 88 7.362 -6.722 1.981 1.00 70.01 H new ATOM 0 HZ PHE A 88 5.210 -7.391 3.042 1.00 44.42 H new ATOM 1405 N GLU A 89 3.671 -7.549 -3.679 1.00 32.01 N ATOM 1406 CA GLU A 89 2.484 -8.384 -3.591 1.00 71.32 C ATOM 1407 C GLU A 89 2.391 -8.959 -2.176 1.00 73.31 C ATOM 1408 O GLU A 89 3.393 -9.265 -1.536 1.00 2.22 O ATOM 1409 CB GLU A 89 2.473 -9.482 -4.665 1.00 21.02 C ATOM 1410 CG GLU A 89 1.819 -8.951 -5.970 1.00 64.04 C ATOM 1411 CD GLU A 89 1.210 -10.029 -6.887 1.00 25.04 C ATOM 1412 OE1 GLU A 89 1.577 -11.222 -6.772 1.00 30.21 O ATOM 1413 OE2 GLU A 89 0.376 -9.667 -7.750 1.00 23.31 O ATOM 0 H GLU A 89 4.478 -7.996 -4.114 1.00 32.01 H new ATOM 0 HA GLU A 89 1.601 -7.775 -3.786 1.00 71.32 H new ATOM 0 HB2 GLU A 89 3.492 -9.812 -4.869 1.00 21.02 H new ATOM 0 HB3 GLU A 89 1.923 -10.350 -4.302 1.00 21.02 H new ATOM 0 HG2 GLU A 89 1.036 -8.241 -5.702 1.00 64.04 H new ATOM 0 HG3 GLU A 89 2.570 -8.399 -6.535 1.00 64.04 H new ATOM 1420 N ALA A 90 1.177 -9.119 -1.686 1.00 61.34 N ATOM 1421 CA ALA A 90 0.846 -9.918 -0.526 1.00 32.12 C ATOM 1422 C ALA A 90 -0.628 -10.271 -0.600 1.00 64.14 C ATOM 1423 O ALA A 90 -1.402 -9.610 -1.300 1.00 33.22 O ATOM 1424 CB ALA A 90 1.081 -9.142 0.774 1.00 72.02 C ATOM 0 H ALA A 90 0.360 -8.675 -2.105 1.00 61.34 H new ATOM 0 HA ALA A 90 1.479 -10.805 -0.524 1.00 32.12 H new ATOM 0 HB1 ALA A 90 0.822 -9.772 1.625 1.00 72.02 H new ATOM 0 HB2 ALA A 90 2.130 -8.854 0.841 1.00 72.02 H new ATOM 0 HB3 ALA A 90 0.458 -8.248 0.782 1.00 72.02 H new ATOM 1430 N GLY A 91 -1.034 -11.241 0.202 1.00 74.33 N ATOM 1431 CA GLY A 91 -2.403 -11.684 0.318 1.00 53.31 C ATOM 1432 C GLY A 91 -2.407 -13.115 0.818 1.00 24.04 C ATOM 1433 O GLY A 91 -1.353 -13.698 1.087 1.00 11.10 O ATOM 0 H GLY A 91 -0.395 -11.755 0.808 1.00 74.33 H new ATOM 0 HA2 GLY A 91 -2.952 -11.041 1.006 1.00 53.31 H new ATOM 0 HA3 GLY A 91 -2.905 -11.619 -0.647 1.00 53.31 H new ATOM 1437 N TYR A 92 -3.601 -13.651 1.008 1.00 45.23 N ATOM 1438 CA TYR A 92 -3.768 -14.998 1.513 1.00 23.33 C ATOM 1439 C TYR A 92 -3.598 -16.053 0.417 1.00 31.42 C ATOM 1440 O TYR A 92 -3.480 -15.763 -0.774 1.00 50.35 O ATOM 1441 CB TYR A 92 -5.096 -15.086 2.277 1.00 24.33 C ATOM 1442 CG TYR A 92 -4.954 -14.503 3.673 1.00 65.01 C ATOM 1443 CD1 TYR A 92 -4.807 -13.117 3.873 1.00 72.24 C ATOM 1444 CD2 TYR A 92 -4.862 -15.366 4.775 1.00 53.35 C ATOM 1445 CE1 TYR A 92 -4.558 -12.595 5.155 1.00 73.15 C ATOM 1446 CE2 TYR A 92 -4.592 -14.856 6.052 1.00 44.13 C ATOM 1447 CZ TYR A 92 -4.455 -13.465 6.260 1.00 12.51 C ATOM 1448 OH TYR A 92 -4.225 -12.972 7.508 1.00 23.34 O ATOM 0 H TYR A 92 -4.477 -13.165 0.817 1.00 45.23 H new ATOM 0 HA TYR A 92 -2.971 -15.227 2.220 1.00 23.33 H new ATOM 0 HB2 TYR A 92 -5.871 -14.549 1.731 1.00 24.33 H new ATOM 0 HB3 TYR A 92 -5.415 -16.126 2.343 1.00 24.33 H new ATOM 0 HD1 TYR A 92 -4.887 -12.446 3.031 1.00 72.24 H new ATOM 0 HD2 TYR A 92 -5.000 -16.428 4.639 1.00 53.35 H new ATOM 0 HE1 TYR A 92 -4.446 -11.530 5.293 1.00 73.15 H new ATOM 0 HE2 TYR A 92 -4.487 -15.534 6.886 1.00 44.13 H new ATOM 0 HH TYR A 92 -4.184 -13.712 8.150 1.00 23.34 H new ATOM 1458 N ASP A 93 -3.499 -17.301 0.855 1.00 74.23 N ATOM 1459 CA ASP A 93 -3.496 -18.485 0.012 1.00 23.43 C ATOM 1460 C ASP A 93 -4.948 -18.830 -0.349 1.00 3.21 C ATOM 1461 O ASP A 93 -5.888 -18.340 0.284 1.00 2.10 O ATOM 1462 CB ASP A 93 -2.787 -19.627 0.762 1.00 32.04 C ATOM 1463 CG ASP A 93 -2.080 -20.598 -0.165 1.00 74.45 C ATOM 1464 OD1 ASP A 93 -2.754 -21.130 -1.091 1.00 24.21 O ATOM 1465 OD2 ASP A 93 -0.873 -20.864 0.061 1.00 32.02 O ATOM 0 H ASP A 93 -3.415 -17.523 1.847 1.00 74.23 H new ATOM 0 HA ASP A 93 -2.952 -18.315 -0.917 1.00 23.43 H new ATOM 0 HB2 ASP A 93 -2.061 -19.203 1.456 1.00 32.04 H new ATOM 0 HB3 ASP A 93 -3.519 -20.171 1.359 1.00 32.04 H new ATOM 1470 N GLU A 94 -5.142 -19.677 -1.358 1.00 33.11 N ATOM 1471 CA GLU A 94 -6.437 -20.091 -1.905 1.00 30.12 C ATOM 1472 C GLU A 94 -7.290 -18.935 -2.485 1.00 42.22 C ATOM 1473 O GLU A 94 -8.382 -19.198 -2.985 1.00 33.30 O ATOM 1474 CB GLU A 94 -7.181 -20.950 -0.850 1.00 70.25 C ATOM 1475 CG GLU A 94 -7.520 -22.389 -1.270 1.00 32.11 C ATOM 1476 CD GLU A 94 -6.301 -23.209 -1.727 1.00 3.24 C ATOM 1477 OE1 GLU A 94 -5.638 -23.847 -0.883 1.00 24.14 O ATOM 1478 OE2 GLU A 94 -6.040 -23.241 -2.948 1.00 52.35 O ATOM 0 H GLU A 94 -4.360 -20.117 -1.843 1.00 33.11 H new ATOM 0 HA GLU A 94 -6.247 -20.706 -2.785 1.00 30.12 H new ATOM 0 HB2 GLU A 94 -6.571 -20.990 0.052 1.00 70.25 H new ATOM 0 HB3 GLU A 94 -8.108 -20.442 -0.585 1.00 70.25 H new ATOM 0 HG2 GLU A 94 -7.995 -22.899 -0.432 1.00 32.11 H new ATOM 0 HG3 GLU A 94 -8.249 -22.358 -2.080 1.00 32.11 H new ATOM 1485 N SER A 95 -6.801 -17.690 -2.498 1.00 33.23 N ATOM 1486 CA SER A 95 -7.487 -16.494 -3.003 1.00 1.52 C ATOM 1487 C SER A 95 -6.544 -15.639 -3.870 1.00 13.13 C ATOM 1488 O SER A 95 -5.506 -16.136 -4.315 1.00 34.23 O ATOM 1489 CB SER A 95 -8.107 -15.732 -1.816 1.00 71.13 C ATOM 1490 OG SER A 95 -9.522 -15.772 -1.913 1.00 4.42 O ATOM 0 H SER A 95 -5.870 -17.478 -2.139 1.00 33.23 H new ATOM 0 HA SER A 95 -8.303 -16.777 -3.668 1.00 1.52 H new ATOM 0 HB2 SER A 95 -7.784 -16.178 -0.875 1.00 71.13 H new ATOM 0 HB3 SER A 95 -7.761 -14.698 -1.814 1.00 71.13 H new ATOM 0 HG SER A 95 -9.916 -15.289 -1.157 1.00 4.42 H new ATOM 1496 N GLU A 96 -6.929 -14.397 -4.183 1.00 53.55 N ATOM 1497 CA GLU A 96 -6.127 -13.420 -4.931 1.00 71.33 C ATOM 1498 C GLU A 96 -5.417 -12.437 -3.970 1.00 62.45 C ATOM 1499 O GLU A 96 -5.816 -12.339 -2.800 1.00 74.44 O ATOM 1500 CB GLU A 96 -7.034 -12.673 -5.938 1.00 62.33 C ATOM 1501 CG GLU A 96 -7.021 -13.317 -7.339 1.00 62.31 C ATOM 1502 CD GLU A 96 -7.511 -12.348 -8.424 1.00 51.13 C ATOM 1503 OE1 GLU A 96 -8.736 -12.131 -8.589 1.00 13.13 O ATOM 1504 OE2 GLU A 96 -6.655 -11.731 -9.106 1.00 65.24 O ATOM 0 H GLU A 96 -7.842 -14.030 -3.913 1.00 53.55 H new ATOM 0 HA GLU A 96 -5.348 -13.944 -5.486 1.00 71.33 H new ATOM 0 HB2 GLU A 96 -8.056 -12.658 -5.559 1.00 62.33 H new ATOM 0 HB3 GLU A 96 -6.707 -11.636 -6.016 1.00 62.33 H new ATOM 0 HG2 GLU A 96 -6.009 -13.646 -7.577 1.00 62.31 H new ATOM 0 HG3 GLU A 96 -7.652 -14.206 -7.335 1.00 62.31 H new ATOM 1511 N PRO A 97 -4.388 -11.690 -4.438 1.00 32.23 N ATOM 1512 CA PRO A 97 -3.650 -10.728 -3.621 1.00 25.20 C ATOM 1513 C PRO A 97 -4.500 -9.527 -3.188 1.00 30.22 C ATOM 1514 O PRO A 97 -5.560 -9.241 -3.748 1.00 71.25 O ATOM 1515 CB PRO A 97 -2.441 -10.270 -4.457 1.00 30.10 C ATOM 1516 CG PRO A 97 -2.844 -10.598 -5.891 1.00 44.55 C ATOM 1517 CD PRO A 97 -3.771 -11.803 -5.755 1.00 31.34 C ATOM 0 HA PRO A 97 -3.340 -11.207 -2.692 1.00 25.20 H new ATOM 0 HB2 PRO A 97 -2.247 -9.205 -4.330 1.00 30.10 H new ATOM 0 HB3 PRO A 97 -1.532 -10.796 -4.167 1.00 30.10 H new ATOM 0 HG2 PRO A 97 -3.351 -9.757 -6.364 1.00 44.55 H new ATOM 0 HG3 PRO A 97 -1.974 -10.832 -6.505 1.00 44.55 H new ATOM 0 HD2 PRO A 97 -4.526 -11.805 -6.541 1.00 31.34 H new ATOM 0 HD3 PRO A 97 -3.214 -12.736 -5.846 1.00 31.34 H new ATOM 1525 N SER A 98 -3.965 -8.761 -2.243 1.00 65.01 N ATOM 1526 CA SER A 98 -4.549 -7.582 -1.628 1.00 1.22 C ATOM 1527 C SER A 98 -3.534 -6.437 -1.572 1.00 12.11 C ATOM 1528 O SER A 98 -3.913 -5.278 -1.690 1.00 21.24 O ATOM 1529 CB SER A 98 -4.980 -7.983 -0.223 1.00 44.24 C ATOM 1530 OG SER A 98 -6.237 -8.631 -0.296 1.00 25.31 O ATOM 0 H SER A 98 -3.042 -8.967 -1.861 1.00 65.01 H new ATOM 0 HA SER A 98 -5.399 -7.226 -2.210 1.00 1.22 H new ATOM 0 HB2 SER A 98 -4.239 -8.646 0.223 1.00 44.24 H new ATOM 0 HB3 SER A 98 -5.046 -7.103 0.417 1.00 44.24 H new ATOM 0 HG SER A 98 -6.522 -8.894 0.604 1.00 25.31 H new ATOM 1536 N LEU A 99 -2.248 -6.746 -1.431 1.00 2.24 N ATOM 1537 CA LEU A 99 -1.134 -5.820 -1.619 1.00 11.24 C ATOM 1538 C LEU A 99 -0.636 -6.128 -3.011 1.00 63.22 C ATOM 1539 O LEU A 99 -0.574 -7.285 -3.441 1.00 71.15 O ATOM 1540 CB LEU A 99 -0.104 -6.039 -0.503 1.00 71.31 C ATOM 1541 CG LEU A 99 0.263 -4.782 0.307 1.00 44.11 C ATOM 1542 CD1 LEU A 99 1.064 -3.758 -0.498 1.00 43.34 C ATOM 1543 CD2 LEU A 99 -0.982 -4.083 0.861 1.00 44.13 C ATOM 0 H LEU A 99 -1.941 -7.684 -1.173 1.00 2.24 H new ATOM 0 HA LEU A 99 -1.391 -4.763 -1.548 1.00 11.24 H new ATOM 0 HB2 LEU A 99 -0.490 -6.793 0.183 1.00 71.31 H new ATOM 0 HB3 LEU A 99 0.806 -6.445 -0.945 1.00 71.31 H new ATOM 0 HG LEU A 99 0.886 -5.148 1.123 1.00 44.11 H new ATOM 0 HD11 LEU A 99 1.290 -2.897 0.131 1.00 43.34 H new ATOM 0 HD12 LEU A 99 1.994 -4.211 -0.840 1.00 43.34 H new ATOM 0 HD13 LEU A 99 0.480 -3.435 -1.359 1.00 43.34 H new ATOM 0 HD21 LEU A 99 -0.683 -3.201 1.427 1.00 44.13 H new ATOM 0 HD22 LEU A 99 -1.628 -3.783 0.036 1.00 44.13 H new ATOM 0 HD23 LEU A 99 -1.523 -4.767 1.515 1.00 44.13 H new ATOM 1555 N ARG A 100 -0.342 -5.055 -3.730 1.00 23.40 N ATOM 1556 CA ARG A 100 0.335 -5.019 -5.008 1.00 70.01 C ATOM 1557 C ARG A 100 0.695 -3.551 -5.111 1.00 71.11 C ATOM 1558 O ARG A 100 -0.031 -2.682 -5.577 1.00 61.44 O ATOM 1559 CB ARG A 100 -0.536 -5.423 -6.188 1.00 21.33 C ATOM 1560 CG ARG A 100 0.295 -5.486 -7.487 1.00 13.42 C ATOM 1561 CD ARG A 100 -0.552 -5.835 -8.714 1.00 11.34 C ATOM 1562 NE ARG A 100 -0.766 -7.283 -8.833 1.00 33.13 N ATOM 1563 CZ ARG A 100 -1.771 -7.886 -9.470 1.00 22.33 C ATOM 1564 NH1 ARG A 100 -2.615 -7.207 -10.244 1.00 43.34 N ATOM 1565 NH2 ARG A 100 -1.892 -9.191 -9.318 1.00 43.41 N ATOM 0 H ARG A 100 -0.591 -4.120 -3.407 1.00 23.40 H new ATOM 0 HA ARG A 100 1.167 -5.722 -5.049 1.00 70.01 H new ATOM 0 HB2 ARG A 100 -0.990 -6.395 -5.994 1.00 21.33 H new ATOM 0 HB3 ARG A 100 -1.350 -4.708 -6.306 1.00 21.33 H new ATOM 0 HG2 ARG A 100 0.782 -4.525 -7.649 1.00 13.42 H new ATOM 0 HG3 ARG A 100 1.085 -6.229 -7.373 1.00 13.42 H new ATOM 0 HD2 ARG A 100 -1.515 -5.329 -8.647 1.00 11.34 H new ATOM 0 HD3 ARG A 100 -0.060 -5.465 -9.613 1.00 11.34 H new ATOM 0 HE ARG A 100 -0.078 -7.888 -8.384 1.00 33.13 H new ATOM 0 HH11 ARG A 100 -2.502 -6.200 -10.362 1.00 43.34 H new ATOM 0 HH12 ARG A 100 -3.375 -7.694 -10.719 1.00 43.34 H new ATOM 0 HH21 ARG A 100 -1.231 -9.700 -8.731 1.00 43.41 H new ATOM 0 HH22 ARG A 100 -2.647 -9.691 -9.788 1.00 43.41 H new ATOM 1579 N VAL A 101 1.775 -3.261 -4.456 1.00 34.20 N ATOM 1580 CA VAL A 101 2.290 -1.910 -4.371 1.00 52.42 C ATOM 1581 C VAL A 101 3.363 -1.843 -5.466 1.00 62.31 C ATOM 1582 O VAL A 101 3.908 -2.891 -5.827 1.00 63.43 O ATOM 1583 CB VAL A 101 2.833 -1.682 -2.955 1.00 44.31 C ATOM 1584 CG1 VAL A 101 4.257 -2.067 -2.826 1.00 50.32 C ATOM 1585 CG2 VAL A 101 2.560 -0.334 -2.324 1.00 43.31 C ATOM 0 H VAL A 101 2.336 -3.952 -3.958 1.00 34.20 H new ATOM 0 HA VAL A 101 1.551 -1.125 -4.531 1.00 52.42 H new ATOM 0 HB VAL A 101 2.227 -2.366 -2.360 1.00 44.31 H new ATOM 0 HG11 VAL A 101 4.592 -1.886 -1.805 1.00 50.32 H new ATOM 0 HG12 VAL A 101 4.371 -3.125 -3.063 1.00 50.32 H new ATOM 0 HG13 VAL A 101 4.858 -1.474 -3.515 1.00 50.32 H new ATOM 0 HG21 VAL A 101 2.997 -0.304 -1.326 1.00 43.31 H new ATOM 0 HG22 VAL A 101 3.002 0.451 -2.937 1.00 43.31 H new ATOM 0 HG23 VAL A 101 1.484 -0.176 -2.254 1.00 43.31 H new ATOM 1595 N VAL A 102 3.790 -0.660 -5.906 1.00 44.45 N ATOM 1596 CA VAL A 102 4.905 -0.547 -6.848 1.00 61.11 C ATOM 1597 C VAL A 102 5.863 0.533 -6.352 1.00 13.54 C ATOM 1598 O VAL A 102 5.468 1.445 -5.624 1.00 61.23 O ATOM 1599 CB VAL A 102 4.364 -0.277 -8.260 1.00 50.14 C ATOM 1600 CG1 VAL A 102 5.447 -0.132 -9.335 1.00 12.21 C ATOM 1601 CG2 VAL A 102 3.407 -1.381 -8.748 1.00 44.32 C ATOM 0 H VAL A 102 3.382 0.232 -5.627 1.00 44.45 H new ATOM 0 HA VAL A 102 5.467 -1.479 -6.905 1.00 61.11 H new ATOM 0 HB VAL A 102 3.843 0.673 -8.142 1.00 50.14 H new ATOM 0 HG11 VAL A 102 4.978 0.057 -10.301 1.00 12.21 H new ATOM 0 HG12 VAL A 102 6.103 0.701 -9.081 1.00 12.21 H new ATOM 0 HG13 VAL A 102 6.032 -1.050 -9.389 1.00 12.21 H new ATOM 0 HG21 VAL A 102 3.055 -1.140 -9.751 1.00 44.32 H new ATOM 0 HG22 VAL A 102 3.933 -2.336 -8.768 1.00 44.32 H new ATOM 0 HG23 VAL A 102 2.556 -1.450 -8.071 1.00 44.32 H new ATOM 1611 N PHE A 103 7.135 0.395 -6.709 1.00 51.31 N ATOM 1612 CA PHE A 103 8.220 1.308 -6.436 1.00 50.32 C ATOM 1613 C PHE A 103 9.010 1.510 -7.737 1.00 11.34 C ATOM 1614 O PHE A 103 9.280 0.563 -8.484 1.00 14.34 O ATOM 1615 CB PHE A 103 9.099 0.710 -5.330 1.00 25.13 C ATOM 1616 CG PHE A 103 8.534 0.764 -3.922 1.00 5.53 C ATOM 1617 CD1 PHE A 103 7.664 -0.238 -3.445 1.00 42.50 C ATOM 1618 CD2 PHE A 103 8.946 1.794 -3.055 1.00 34.35 C ATOM 1619 CE1 PHE A 103 7.236 -0.218 -2.108 1.00 14.23 C ATOM 1620 CE2 PHE A 103 8.528 1.800 -1.714 1.00 51.23 C ATOM 1621 CZ PHE A 103 7.681 0.790 -1.236 1.00 53.51 C ATOM 0 H PHE A 103 7.449 -0.420 -7.235 1.00 51.31 H new ATOM 0 HA PHE A 103 7.855 2.276 -6.093 1.00 50.32 H new ATOM 0 HB2 PHE A 103 9.301 -0.332 -5.578 1.00 25.13 H new ATOM 0 HB3 PHE A 103 10.057 1.230 -5.335 1.00 25.13 H new ATOM 0 HD1 PHE A 103 7.327 -1.021 -4.108 1.00 42.50 H new ATOM 0 HD2 PHE A 103 9.586 2.583 -3.422 1.00 34.35 H new ATOM 0 HE1 PHE A 103 6.562 -0.981 -1.748 1.00 14.23 H new ATOM 0 HE2 PHE A 103 8.860 2.584 -1.050 1.00 51.23 H new ATOM 0 HZ PHE A 103 7.372 0.787 -0.201 1.00 53.51 H new ATOM 1631 N GLU A 104 9.438 2.746 -7.967 1.00 21.45 N ATOM 1632 CA GLU A 104 10.290 3.201 -9.061 1.00 5.52 C ATOM 1633 C GLU A 104 11.491 3.942 -8.476 1.00 42.52 C ATOM 1634 O GLU A 104 11.374 4.548 -7.408 1.00 71.41 O ATOM 1635 CB GLU A 104 9.498 4.195 -9.919 1.00 11.43 C ATOM 1636 CG GLU A 104 8.621 3.512 -10.969 1.00 51.20 C ATOM 1637 CD GLU A 104 7.704 4.504 -11.680 1.00 24.23 C ATOM 1638 OE1 GLU A 104 8.085 5.689 -11.888 1.00 3.12 O ATOM 1639 OE2 GLU A 104 6.548 4.114 -12.004 1.00 24.34 O ATOM 0 H GLU A 104 9.179 3.514 -7.348 1.00 21.45 H new ATOM 0 HA GLU A 104 10.616 2.348 -9.656 1.00 5.52 H new ATOM 0 HB2 GLU A 104 8.870 4.806 -9.271 1.00 11.43 H new ATOM 0 HB3 GLU A 104 10.193 4.870 -10.418 1.00 11.43 H new ATOM 0 HG2 GLU A 104 9.255 3.014 -11.703 1.00 51.20 H new ATOM 0 HG3 GLU A 104 8.019 2.739 -10.491 1.00 51.20 H new ATOM 1646 N LEU A 105 12.617 3.958 -9.194 1.00 31.11 N ATOM 1647 CA LEU A 105 13.819 4.723 -8.871 1.00 5.14 C ATOM 1648 C LEU A 105 14.120 5.693 -10.013 1.00 2.53 C ATOM 1649 O LEU A 105 14.072 5.317 -11.188 1.00 32.13 O ATOM 1650 CB LEU A 105 14.995 3.757 -8.667 1.00 1.12 C ATOM 1651 CG LEU A 105 16.348 4.384 -8.262 1.00 51.22 C ATOM 1652 CD1 LEU A 105 16.456 4.625 -6.763 1.00 4.44 C ATOM 1653 CD2 LEU A 105 17.459 3.414 -8.659 1.00 74.30 C ATOM 0 H LEU A 105 12.718 3.415 -10.051 1.00 31.11 H new ATOM 0 HA LEU A 105 13.665 5.292 -7.954 1.00 5.14 H new ATOM 0 HB2 LEU A 105 14.712 3.034 -7.901 1.00 1.12 H new ATOM 0 HB3 LEU A 105 15.142 3.200 -9.592 1.00 1.12 H new ATOM 0 HG LEU A 105 16.432 5.346 -8.767 1.00 51.22 H new ATOM 0 HD11 LEU A 105 17.426 5.066 -6.534 1.00 4.44 H new ATOM 0 HD12 LEU A 105 15.664 5.304 -6.446 1.00 4.44 H new ATOM 0 HD13 LEU A 105 16.355 3.677 -6.234 1.00 4.44 H new ATOM 0 HD21 LEU A 105 18.426 3.835 -8.383 1.00 74.30 H new ATOM 0 HD22 LEU A 105 17.316 2.465 -8.142 1.00 74.30 H new ATOM 0 HD23 LEU A 105 17.430 3.248 -9.736 1.00 74.30 H new ATOM 1665 N THR A 106 14.480 6.937 -9.705 1.00 11.12 N ATOM 1666 CA THR A 106 15.052 7.894 -10.650 1.00 12.52 C ATOM 1667 C THR A 106 15.967 8.836 -9.858 1.00 14.13 C ATOM 1668 O THR A 106 15.594 9.226 -8.754 1.00 54.32 O ATOM 1669 CB THR A 106 13.913 8.688 -11.327 1.00 61.13 C ATOM 1670 OG1 THR A 106 12.963 7.841 -11.951 1.00 74.43 O ATOM 1671 CG2 THR A 106 14.385 9.652 -12.416 1.00 73.34 C ATOM 0 H THR A 106 14.379 7.318 -8.764 1.00 11.12 H new ATOM 0 HA THR A 106 15.623 7.386 -11.427 1.00 12.52 H new ATOM 0 HB THR A 106 13.477 9.246 -10.498 1.00 61.13 H new ATOM 0 HG1 THR A 106 12.099 7.928 -11.497 1.00 74.43 H new ATOM 0 HG21 THR A 106 13.525 10.170 -12.841 1.00 73.34 H new ATOM 0 HG22 THR A 106 15.071 10.381 -11.984 1.00 73.34 H new ATOM 0 HG23 THR A 106 14.896 9.093 -13.200 1.00 73.34 H new ATOM 1679 N ASP A 107 17.114 9.242 -10.419 1.00 62.22 N ATOM 1680 CA ASP A 107 18.024 10.251 -9.844 1.00 45.52 C ATOM 1681 C ASP A 107 18.401 9.897 -8.393 1.00 74.30 C ATOM 1682 O ASP A 107 18.430 10.733 -7.488 1.00 13.32 O ATOM 1683 CB ASP A 107 17.443 11.669 -10.030 1.00 12.53 C ATOM 1684 CG ASP A 107 18.543 12.704 -10.323 1.00 33.14 C ATOM 1685 OD1 ASP A 107 19.037 12.706 -11.477 1.00 72.03 O ATOM 1686 OD2 ASP A 107 18.890 13.521 -9.441 1.00 12.54 O ATOM 0 H ASP A 107 17.446 8.870 -11.309 1.00 62.22 H new ATOM 0 HA ASP A 107 18.968 10.245 -10.389 1.00 45.52 H new ATOM 0 HB2 ASP A 107 16.723 11.662 -10.848 1.00 12.53 H new ATOM 0 HB3 ASP A 107 16.900 11.960 -9.131 1.00 12.53 H new ATOM 1691 N GLY A 108 18.610 8.597 -8.162 1.00 12.43 N ATOM 1692 CA GLY A 108 18.941 7.979 -6.885 1.00 13.45 C ATOM 1693 C GLY A 108 17.856 8.078 -5.807 1.00 3.43 C ATOM 1694 O GLY A 108 18.123 7.737 -4.650 1.00 22.15 O ATOM 0 H GLY A 108 18.547 7.909 -8.913 1.00 12.43 H new ATOM 0 HA2 GLY A 108 19.164 6.926 -7.057 1.00 13.45 H new ATOM 0 HA3 GLY A 108 19.852 8.439 -6.503 1.00 13.45 H new ATOM 1698 N LYS A 109 16.640 8.524 -6.138 1.00 63.41 N ATOM 1699 CA LYS A 109 15.514 8.500 -5.214 1.00 71.11 C ATOM 1700 C LYS A 109 14.543 7.405 -5.632 1.00 2.41 C ATOM 1701 O LYS A 109 14.271 7.241 -6.820 1.00 71.32 O ATOM 1702 CB LYS A 109 14.916 9.900 -5.051 1.00 71.04 C ATOM 1703 CG LYS A 109 13.944 10.365 -6.143 1.00 54.32 C ATOM 1704 CD LYS A 109 14.441 11.523 -7.017 1.00 33.24 C ATOM 1705 CE LYS A 109 14.337 12.872 -6.309 1.00 1.34 C ATOM 1706 NZ LYS A 109 14.759 13.973 -7.198 1.00 13.31 N ATOM 0 H LYS A 109 16.414 8.910 -7.055 1.00 63.41 H new ATOM 0 HA LYS A 109 15.835 8.235 -4.207 1.00 71.11 H new ATOM 0 HB2 LYS A 109 14.396 9.939 -4.094 1.00 71.04 H new ATOM 0 HB3 LYS A 109 15.736 10.616 -4.998 1.00 71.04 H new ATOM 0 HG2 LYS A 109 13.717 9.517 -6.789 1.00 54.32 H new ATOM 0 HG3 LYS A 109 13.009 10.665 -5.670 1.00 54.32 H new ATOM 0 HD2 LYS A 109 15.478 11.343 -7.299 1.00 33.24 H new ATOM 0 HD3 LYS A 109 13.861 11.554 -7.939 1.00 33.24 H new ATOM 0 HE2 LYS A 109 13.310 13.037 -5.983 1.00 1.34 H new ATOM 0 HE3 LYS A 109 14.958 12.865 -5.413 1.00 1.34 H new ATOM 0 HZ1 LYS A 109 14.679 14.878 -6.692 1.00 13.31 H new ATOM 0 HZ2 LYS A 109 15.747 13.825 -7.489 1.00 13.31 H new ATOM 0 HZ3 LYS A 109 14.149 13.992 -8.040 1.00 13.31 H new ATOM 1720 N TRP A 110 14.038 6.646 -4.663 1.00 23.15 N ATOM 1721 CA TRP A 110 12.879 5.793 -4.890 1.00 31.15 C ATOM 1722 C TRP A 110 11.624 6.629 -4.692 1.00 32.23 C ATOM 1723 O TRP A 110 11.671 7.640 -3.984 1.00 41.10 O ATOM 1724 CB TRP A 110 12.868 4.604 -3.921 1.00 51.53 C ATOM 1725 CG TRP A 110 13.845 3.518 -4.239 1.00 11.51 C ATOM 1726 CD1 TRP A 110 15.086 3.395 -3.723 1.00 23.34 C ATOM 1727 CD2 TRP A 110 13.685 2.398 -5.162 1.00 11.32 C ATOM 1728 NE1 TRP A 110 15.715 2.304 -4.292 1.00 43.23 N ATOM 1729 CE2 TRP A 110 14.894 1.650 -5.177 1.00 34.15 C ATOM 1730 CE3 TRP A 110 12.649 1.937 -5.997 1.00 52.54 C ATOM 1731 CZ2 TRP A 110 15.064 0.510 -5.972 1.00 3.52 C ATOM 1732 CZ3 TRP A 110 12.811 0.805 -6.817 1.00 74.40 C ATOM 1733 CH2 TRP A 110 14.018 0.085 -6.801 1.00 74.22 C ATOM 0 H TRP A 110 14.414 6.605 -3.716 1.00 23.15 H new ATOM 0 HA TRP A 110 12.920 5.395 -5.904 1.00 31.15 H new ATOM 0 HB2 TRP A 110 13.072 4.973 -2.916 1.00 51.53 H new ATOM 0 HB3 TRP A 110 11.865 4.177 -3.906 1.00 51.53 H new ATOM 0 HD1 TRP A 110 15.520 4.048 -2.980 1.00 23.34 H new ATOM 0 HE1 TRP A 110 16.671 2.020 -4.081 1.00 43.23 H new ATOM 0 HE3 TRP A 110 11.707 2.465 -6.008 1.00 52.54 H new ATOM 0 HZ2 TRP A 110 15.995 -0.037 -5.946 1.00 3.52 H new ATOM 0 HZ3 TRP A 110 12.004 0.488 -7.461 1.00 74.40 H new ATOM 0 HH2 TRP A 110 14.138 -0.789 -7.423 1.00 74.22 H new ATOM 1744 N TYR A 111 10.504 6.171 -5.248 1.00 4.31 N ATOM 1745 CA TYR A 111 9.165 6.652 -4.950 1.00 65.04 C ATOM 1746 C TYR A 111 8.141 5.594 -5.377 1.00 44.53 C ATOM 1747 O TYR A 111 8.380 4.832 -6.314 1.00 41.12 O ATOM 1748 CB TYR A 111 8.932 8.014 -5.625 1.00 50.41 C ATOM 1749 CG TYR A 111 9.211 8.026 -7.113 1.00 2.14 C ATOM 1750 CD1 TYR A 111 10.516 8.217 -7.609 1.00 65.11 C ATOM 1751 CD2 TYR A 111 8.162 7.751 -7.998 1.00 64.34 C ATOM 1752 CE1 TYR A 111 10.781 8.051 -8.980 1.00 44.33 C ATOM 1753 CE2 TYR A 111 8.416 7.617 -9.368 1.00 70.23 C ATOM 1754 CZ TYR A 111 9.728 7.711 -9.860 1.00 4.14 C ATOM 1755 OH TYR A 111 9.946 7.469 -11.177 1.00 51.31 O ATOM 0 H TYR A 111 10.509 5.426 -5.945 1.00 4.31 H new ATOM 0 HA TYR A 111 9.047 6.809 -3.878 1.00 65.04 H new ATOM 0 HB2 TYR A 111 7.898 8.317 -5.458 1.00 50.41 H new ATOM 0 HB3 TYR A 111 9.565 8.759 -5.142 1.00 50.41 H new ATOM 0 HD1 TYR A 111 11.314 8.491 -6.935 1.00 65.11 H new ATOM 0 HD2 TYR A 111 7.155 7.642 -7.623 1.00 64.34 H new ATOM 0 HE1 TYR A 111 11.784 8.183 -9.359 1.00 44.33 H new ATOM 0 HE2 TYR A 111 7.598 7.440 -10.051 1.00 70.23 H new ATOM 0 HH TYR A 111 9.366 6.737 -11.475 1.00 51.31 H new ATOM 1765 N VAL A 112 7.006 5.515 -4.680 1.00 54.20 N ATOM 1766 CA VAL A 112 5.877 4.651 -5.042 1.00 42.14 C ATOM 1767 C VAL A 112 5.015 5.391 -6.070 1.00 3.21 C ATOM 1768 O VAL A 112 4.765 6.583 -5.848 1.00 50.44 O ATOM 1769 CB VAL A 112 5.077 4.373 -3.749 1.00 51.44 C ATOM 1770 CG1 VAL A 112 3.691 3.733 -3.934 1.00 34.24 C ATOM 1771 CG2 VAL A 112 5.885 3.524 -2.763 1.00 41.12 C ATOM 0 H VAL A 112 6.841 6.059 -3.833 1.00 54.20 H new ATOM 0 HA VAL A 112 6.205 3.708 -5.478 1.00 42.14 H new ATOM 0 HB VAL A 112 4.895 5.372 -3.353 1.00 51.44 H new ATOM 0 HG11 VAL A 112 3.225 3.586 -2.960 1.00 34.24 H new ATOM 0 HG12 VAL A 112 3.065 4.389 -4.540 1.00 34.24 H new ATOM 0 HG13 VAL A 112 3.799 2.770 -4.434 1.00 34.24 H new ATOM 0 HG21 VAL A 112 5.293 3.347 -1.865 1.00 41.12 H new ATOM 0 HG22 VAL A 112 6.136 2.570 -3.226 1.00 41.12 H new ATOM 0 HG23 VAL A 112 6.801 4.050 -2.496 1.00 41.12 H new ATOM 1781 N THR A 113 4.490 4.733 -7.119 1.00 32.13 N ATOM 1782 CA THR A 113 3.448 5.351 -7.959 1.00 24.32 C ATOM 1783 C THR A 113 2.126 4.585 -7.993 1.00 54.42 C ATOM 1784 O THR A 113 1.162 5.093 -8.566 1.00 21.44 O ATOM 1785 CB THR A 113 3.935 5.737 -9.370 1.00 31.14 C ATOM 1786 OG1 THR A 113 4.001 4.729 -10.343 1.00 43.51 O ATOM 1787 CG2 THR A 113 5.294 6.434 -9.355 1.00 32.11 C ATOM 0 H THR A 113 4.763 3.792 -7.402 1.00 32.13 H new ATOM 0 HA THR A 113 3.228 6.287 -7.446 1.00 24.32 H new ATOM 0 HB THR A 113 3.127 6.404 -9.671 1.00 31.14 H new ATOM 0 HG1 THR A 113 3.957 3.852 -9.909 1.00 43.51 H new ATOM 0 HG21 THR A 113 5.587 6.683 -10.375 1.00 32.11 H new ATOM 0 HG22 THR A 113 5.228 7.347 -8.764 1.00 32.11 H new ATOM 0 HG23 THR A 113 6.039 5.770 -8.915 1.00 32.11 H new ATOM 1795 N ASP A 114 2.038 3.409 -7.382 1.00 30.24 N ATOM 1796 CA ASP A 114 0.921 2.493 -7.559 1.00 41.32 C ATOM 1797 C ASP A 114 0.722 1.814 -6.212 1.00 11.12 C ATOM 1798 O ASP A 114 1.713 1.481 -5.550 1.00 10.20 O ATOM 1799 CB ASP A 114 1.205 1.406 -8.621 1.00 53.33 C ATOM 1800 CG ASP A 114 2.083 1.754 -9.844 1.00 22.40 C ATOM 1801 OD1 ASP A 114 3.154 2.403 -9.735 1.00 22.40 O ATOM 1802 OD2 ASP A 114 1.691 1.372 -10.961 1.00 42.15 O ATOM 0 H ASP A 114 2.751 3.062 -6.741 1.00 30.24 H new ATOM 0 HA ASP A 114 0.047 3.047 -7.900 1.00 41.32 H new ATOM 0 HB2 ASP A 114 1.673 0.564 -8.111 1.00 53.33 H new ATOM 0 HB3 ASP A 114 0.243 1.056 -8.997 1.00 53.33 H new ATOM 1807 N CYS A 115 -0.536 1.583 -5.797 1.00 61.35 N ATOM 1808 CA CYS A 115 -0.773 0.733 -4.642 1.00 1.13 C ATOM 1809 C CYS A 115 -2.161 0.107 -4.777 1.00 23.12 C ATOM 1810 O CYS A 115 -3.130 0.803 -5.054 1.00 62.11 O ATOM 1811 CB CYS A 115 -0.568 1.538 -3.347 1.00 21.21 C ATOM 1812 SG CYS A 115 -2.016 2.468 -2.796 1.00 14.41 S ATOM 0 H CYS A 115 -1.374 1.965 -6.236 1.00 61.35 H new ATOM 0 HA CYS A 115 -0.056 -0.086 -4.594 1.00 1.13 H new ATOM 0 HB2 CYS A 115 -0.270 0.853 -2.553 1.00 21.21 H new ATOM 0 HB3 CYS A 115 0.258 2.233 -3.495 1.00 21.21 H new ATOM 0 HG CYS A 115 -3.044 2.140 -3.521 1.00 14.41 H new ATOM 1818 N TYR A 116 -2.248 -1.200 -4.578 1.00 34.00 N ATOM 1819 CA TYR A 116 -3.475 -1.905 -4.294 1.00 33.42 C ATOM 1820 C TYR A 116 -3.516 -2.042 -2.761 1.00 32.14 C ATOM 1821 O TYR A 116 -2.455 -2.005 -2.114 1.00 43.12 O ATOM 1822 CB TYR A 116 -3.397 -3.237 -5.051 1.00 63.24 C ATOM 1823 CG TYR A 116 -4.698 -3.962 -5.308 1.00 10.52 C ATOM 1824 CD1 TYR A 116 -5.659 -3.403 -6.172 1.00 62.21 C ATOM 1825 CD2 TYR A 116 -4.911 -5.239 -4.766 1.00 63.35 C ATOM 1826 CE1 TYR A 116 -6.836 -4.108 -6.483 1.00 65.14 C ATOM 1827 CE2 TYR A 116 -6.098 -5.939 -5.046 1.00 62.01 C ATOM 1828 CZ TYR A 116 -7.073 -5.367 -5.893 1.00 41.33 C ATOM 1829 OH TYR A 116 -8.229 -6.030 -6.160 1.00 50.54 O ATOM 0 H TYR A 116 -1.434 -1.814 -4.612 1.00 34.00 H new ATOM 0 HA TYR A 116 -4.393 -1.413 -4.615 1.00 33.42 H new ATOM 0 HB2 TYR A 116 -2.918 -3.052 -6.012 1.00 63.24 H new ATOM 0 HB3 TYR A 116 -2.742 -3.906 -4.492 1.00 63.24 H new ATOM 0 HD1 TYR A 116 -5.491 -2.425 -6.599 1.00 62.21 H new ATOM 0 HD2 TYR A 116 -4.160 -5.686 -4.131 1.00 63.35 H new ATOM 0 HE1 TYR A 116 -7.555 -3.687 -7.170 1.00 65.14 H new ATOM 0 HE2 TYR A 116 -6.264 -6.914 -4.613 1.00 62.01 H new ATOM 0 HH TYR A 116 -8.236 -6.882 -5.676 1.00 50.54 H new ATOM 1839 N ASN A 117 -4.696 -2.134 -2.141 1.00 65.32 N ATOM 1840 CA ASN A 117 -4.801 -2.492 -0.724 1.00 25.23 C ATOM 1841 C ASN A 117 -6.142 -3.183 -0.469 1.00 10.50 C ATOM 1842 O ASN A 117 -7.095 -2.994 -1.230 1.00 61.02 O ATOM 1843 CB ASN A 117 -4.630 -1.270 0.211 1.00 1.11 C ATOM 1844 CG ASN A 117 -3.976 -1.687 1.530 1.00 21.44 C ATOM 1845 OD1 ASN A 117 -4.239 -2.764 2.038 1.00 4.33 O ATOM 1846 ND2 ASN A 117 -3.103 -0.897 2.130 1.00 13.42 N ATOM 0 H ASN A 117 -5.592 -1.965 -2.598 1.00 65.32 H new ATOM 0 HA ASN A 117 -3.985 -3.176 -0.493 1.00 25.23 H new ATOM 0 HB2 ASN A 117 -4.019 -0.512 -0.280 1.00 1.11 H new ATOM 0 HB3 ASN A 117 -5.602 -0.817 0.408 1.00 1.11 H new ATOM 0 HD21 ASN A 117 -2.663 -1.192 3.002 1.00 13.42 H new ATOM 0 HD22 ASN A 117 -2.869 0.008 1.722 1.00 13.42 H new ATOM 1853 N ASP A 118 -6.257 -3.906 0.638 1.00 25.41 N ATOM 1854 CA ASP A 118 -7.480 -4.464 1.205 1.00 4.03 C ATOM 1855 C ASP A 118 -8.451 -3.402 1.742 1.00 21.33 C ATOM 1856 O ASP A 118 -9.607 -3.722 2.000 1.00 22.10 O ATOM 1857 CB ASP A 118 -7.121 -5.496 2.296 1.00 70.53 C ATOM 1858 CG ASP A 118 -6.438 -4.886 3.527 1.00 51.04 C ATOM 1859 OD1 ASP A 118 -7.097 -4.071 4.210 1.00 31.53 O ATOM 1860 OD2 ASP A 118 -5.264 -5.224 3.799 1.00 50.14 O ATOM 0 H ASP A 118 -5.440 -4.135 1.204 1.00 25.41 H new ATOM 0 HA ASP A 118 -8.014 -4.957 0.393 1.00 4.03 H new ATOM 0 HB2 ASP A 118 -8.030 -6.007 2.613 1.00 70.53 H new ATOM 0 HB3 ASP A 118 -6.464 -6.252 1.865 1.00 70.53 H new ATOM 1865 N TRP A 119 -8.059 -2.128 1.843 1.00 24.41 N ATOM 1866 CA TRP A 119 -8.948 -1.084 2.358 1.00 71.21 C ATOM 1867 C TRP A 119 -10.171 -0.792 1.480 1.00 25.21 C ATOM 1868 O TRP A 119 -11.198 -0.358 2.003 1.00 24.31 O ATOM 1869 CB TRP A 119 -8.150 0.202 2.626 1.00 32.44 C ATOM 1870 CG TRP A 119 -7.489 0.190 3.965 1.00 54.13 C ATOM 1871 CD1 TRP A 119 -6.221 -0.188 4.244 1.00 11.12 C ATOM 1872 CD2 TRP A 119 -8.137 0.401 5.254 1.00 2.22 C ATOM 1873 NE1 TRP A 119 -6.050 -0.221 5.612 1.00 34.13 N ATOM 1874 CE2 TRP A 119 -7.202 0.112 6.284 1.00 55.41 C ATOM 1875 CE3 TRP A 119 -9.450 0.728 5.655 1.00 61.11 C ATOM 1876 CZ2 TRP A 119 -7.561 0.116 7.638 1.00 20.21 C ATOM 1877 CZ3 TRP A 119 -9.804 0.773 7.016 1.00 55.01 C ATOM 1878 CH2 TRP A 119 -8.866 0.458 8.011 1.00 43.01 C ATOM 0 H TRP A 119 -7.133 -1.796 1.575 1.00 24.41 H new ATOM 0 HA TRP A 119 -9.357 -1.475 3.290 1.00 71.21 H new ATOM 0 HB2 TRP A 119 -7.394 0.326 1.851 1.00 32.44 H new ATOM 0 HB3 TRP A 119 -8.817 1.061 2.560 1.00 32.44 H new ATOM 0 HD1 TRP A 119 -5.463 -0.426 3.512 1.00 11.12 H new ATOM 0 HE1 TRP A 119 -5.172 -0.464 6.071 1.00 34.13 H new ATOM 0 HE3 TRP A 119 -10.195 0.947 4.905 1.00 61.11 H new ATOM 0 HZ2 TRP A 119 -6.833 -0.144 8.392 1.00 20.21 H new ATOM 0 HZ3 TRP A 119 -10.808 1.053 7.298 1.00 55.01 H new ATOM 0 HH2 TRP A 119 -9.148 0.479 9.053 1.00 43.01 H new ATOM 1889 N TYR A 120 -10.111 -1.020 0.164 1.00 53.13 N ATOM 1890 CA TYR A 120 -11.179 -0.583 -0.744 1.00 70.21 C ATOM 1891 C TYR A 120 -11.451 -1.704 -1.753 1.00 23.14 C ATOM 1892 O TYR A 120 -10.967 -1.656 -2.889 1.00 25.24 O ATOM 1893 CB TYR A 120 -10.852 0.789 -1.393 1.00 41.24 C ATOM 1894 CG TYR A 120 -10.222 1.865 -0.504 1.00 2.22 C ATOM 1895 CD1 TYR A 120 -11.007 2.770 0.253 1.00 3.41 C ATOM 1896 CD2 TYR A 120 -8.815 1.974 -0.472 1.00 13.42 C ATOM 1897 CE1 TYR A 120 -10.387 3.742 1.074 1.00 40.03 C ATOM 1898 CE2 TYR A 120 -8.193 2.920 0.359 1.00 64.45 C ATOM 1899 CZ TYR A 120 -8.980 3.780 1.153 1.00 61.11 C ATOM 1900 OH TYR A 120 -8.385 4.644 2.011 1.00 3.13 O ATOM 0 H TYR A 120 -9.339 -1.502 -0.296 1.00 53.13 H new ATOM 0 HA TYR A 120 -12.100 -0.407 -0.189 1.00 70.21 H new ATOM 0 HB2 TYR A 120 -10.179 0.611 -2.232 1.00 41.24 H new ATOM 0 HB3 TYR A 120 -11.776 1.194 -1.805 1.00 41.24 H new ATOM 0 HD1 TYR A 120 -12.085 2.718 0.203 1.00 3.41 H new ATOM 0 HD2 TYR A 120 -8.213 1.325 -1.091 1.00 13.42 H new ATOM 0 HE1 TYR A 120 -10.985 4.446 1.633 1.00 40.03 H new ATOM 0 HE2 TYR A 120 -7.116 2.989 0.390 1.00 64.45 H new ATOM 0 HH TYR A 120 -7.451 4.777 1.746 1.00 3.13 H new ATOM 1910 N ASN A 121 -12.152 -2.759 -1.321 1.00 3.14 N ATOM 1911 CA ASN A 121 -12.433 -3.957 -2.135 1.00 22.50 C ATOM 1912 C ASN A 121 -13.717 -3.780 -2.947 1.00 1.12 C ATOM 1913 O ASN A 121 -14.396 -2.771 -2.806 1.00 44.24 O ATOM 1914 CB ASN A 121 -12.564 -5.223 -1.272 1.00 11.02 C ATOM 1915 CG ASN A 121 -11.425 -5.351 -0.286 1.00 22.20 C ATOM 1916 OD1 ASN A 121 -10.280 -5.579 -0.671 1.00 64.23 O ATOM 1917 ND2 ASN A 121 -11.725 -5.085 0.970 1.00 24.24 N ATOM 0 H ASN A 121 -12.548 -2.809 -0.382 1.00 3.14 H new ATOM 0 HA ASN A 121 -11.584 -4.078 -2.808 1.00 22.50 H new ATOM 0 HB2 ASN A 121 -13.511 -5.199 -0.732 1.00 11.02 H new ATOM 0 HB3 ASN A 121 -12.587 -6.102 -1.917 1.00 11.02 H new ATOM 0 HD21 ASN A 121 -10.989 -5.061 1.676 1.00 24.24 H new ATOM 0 HD22 ASN A 121 -12.693 -4.903 1.236 1.00 24.24 H new ATOM 1924 N PHE A 122 -14.114 -4.773 -3.751 1.00 12.02 N ATOM 1925 CA PHE A 122 -15.386 -4.764 -4.492 1.00 72.42 C ATOM 1926 C PHE A 122 -16.616 -4.768 -3.570 1.00 23.24 C ATOM 1927 O PHE A 122 -17.722 -4.470 -4.020 1.00 31.23 O ATOM 1928 CB PHE A 122 -15.439 -5.980 -5.439 1.00 73.32 C ATOM 1929 CG PHE A 122 -15.279 -5.698 -6.922 1.00 22.33 C ATOM 1930 CD1 PHE A 122 -14.300 -4.795 -7.380 1.00 62.14 C ATOM 1931 CD2 PHE A 122 -16.071 -6.400 -7.853 1.00 53.35 C ATOM 1932 CE1 PHE A 122 -14.103 -4.606 -8.759 1.00 61.41 C ATOM 1933 CE2 PHE A 122 -15.870 -6.216 -9.233 1.00 5.02 C ATOM 1934 CZ PHE A 122 -14.879 -5.326 -9.684 1.00 54.43 C ATOM 0 H PHE A 122 -13.559 -5.614 -3.909 1.00 12.02 H new ATOM 0 HA PHE A 122 -15.420 -3.835 -5.062 1.00 72.42 H new ATOM 0 HB2 PHE A 122 -14.658 -6.679 -5.139 1.00 73.32 H new ATOM 0 HB3 PHE A 122 -16.393 -6.486 -5.290 1.00 73.32 H new ATOM 0 HD1 PHE A 122 -13.699 -4.246 -6.670 1.00 62.14 H new ATOM 0 HD2 PHE A 122 -16.834 -7.081 -7.506 1.00 53.35 H new ATOM 0 HE1 PHE A 122 -13.356 -3.908 -9.108 1.00 61.41 H new ATOM 0 HE2 PHE A 122 -16.476 -6.757 -9.945 1.00 5.02 H new ATOM 0 HZ PHE A 122 -14.714 -5.195 -10.743 1.00 54.43 H new ATOM 1944 N ASP A 123 -16.440 -5.087 -2.291 1.00 4.20 N ATOM 1945 CA ASP A 123 -17.474 -5.033 -1.263 1.00 1.13 C ATOM 1946 C ASP A 123 -17.287 -3.739 -0.477 1.00 50.43 C ATOM 1947 O ASP A 123 -17.056 -3.751 0.732 1.00 72.43 O ATOM 1948 CB ASP A 123 -17.373 -6.293 -0.401 1.00 12.03 C ATOM 1949 CG ASP A 123 -18.654 -6.584 0.379 1.00 65.11 C ATOM 1950 OD1 ASP A 123 -19.698 -6.838 -0.285 1.00 50.03 O ATOM 1951 OD2 ASP A 123 -18.604 -6.712 1.611 1.00 41.22 O ATOM 0 H ASP A 123 -15.540 -5.402 -1.929 1.00 4.20 H new ATOM 0 HA ASP A 123 -18.480 -5.019 -1.682 1.00 1.13 H new ATOM 0 HB2 ASP A 123 -17.140 -7.146 -1.039 1.00 12.03 H new ATOM 0 HB3 ASP A 123 -16.545 -6.183 0.299 1.00 12.03 H new ATOM 1956 N LEU A 124 -17.234 -2.610 -1.192 1.00 22.33 N ATOM 1957 CA LEU A 124 -17.068 -1.292 -0.598 1.00 45.43 C ATOM 1958 C LEU A 124 -17.716 -0.254 -1.519 1.00 44.24 C ATOM 1959 O LEU A 124 -17.022 0.346 -2.333 1.00 64.23 O ATOM 1960 CB LEU A 124 -15.562 -1.018 -0.365 1.00 11.33 C ATOM 1961 CG LEU A 124 -15.268 -0.025 0.767 1.00 30.53 C ATOM 1962 CD1 LEU A 124 -15.904 1.349 0.539 1.00 3.24 C ATOM 1963 CD2 LEU A 124 -15.678 -0.618 2.120 1.00 65.12 C ATOM 0 H LEU A 124 -17.307 -2.592 -2.209 1.00 22.33 H new ATOM 0 HA LEU A 124 -17.560 -1.234 0.373 1.00 45.43 H new ATOM 0 HB2 LEU A 124 -15.063 -1.961 -0.143 1.00 11.33 H new ATOM 0 HB3 LEU A 124 -15.127 -0.637 -1.289 1.00 11.33 H new ATOM 0 HG LEU A 124 -14.191 0.143 0.772 1.00 30.53 H new ATOM 0 HD11 LEU A 124 -15.660 2.006 1.374 1.00 3.24 H new ATOM 0 HD12 LEU A 124 -15.519 1.779 -0.386 1.00 3.24 H new ATOM 0 HD13 LEU A 124 -16.986 1.241 0.467 1.00 3.24 H new ATOM 0 HD21 LEU A 124 -15.463 0.099 2.912 1.00 65.12 H new ATOM 0 HD22 LEU A 124 -16.745 -0.840 2.112 1.00 65.12 H new ATOM 0 HD23 LEU A 124 -15.118 -1.536 2.300 1.00 65.12 H new ATOM 1975 N PRO A 125 -19.034 -0.030 -1.475 1.00 50.45 N ATOM 1976 CA PRO A 125 -19.662 0.903 -2.391 1.00 63.22 C ATOM 1977 C PRO A 125 -19.338 2.336 -1.983 1.00 34.21 C ATOM 1978 O PRO A 125 -18.942 2.624 -0.851 1.00 31.13 O ATOM 1979 CB PRO A 125 -21.154 0.612 -2.295 1.00 34.21 C ATOM 1980 CG PRO A 125 -21.318 0.152 -0.849 1.00 62.33 C ATOM 1981 CD PRO A 125 -20.002 -0.576 -0.547 1.00 41.32 C ATOM 0 HA PRO A 125 -19.306 0.791 -3.415 1.00 63.22 H new ATOM 0 HB2 PRO A 125 -21.753 1.497 -2.508 1.00 34.21 H new ATOM 0 HB3 PRO A 125 -21.462 -0.159 -3.002 1.00 34.21 H new ATOM 0 HG2 PRO A 125 -21.473 0.995 -0.176 1.00 62.33 H new ATOM 0 HG3 PRO A 125 -22.177 -0.509 -0.734 1.00 62.33 H new ATOM 0 HD2 PRO A 125 -19.691 -0.413 0.485 1.00 41.32 H new ATOM 0 HD3 PRO A 125 -20.110 -1.652 -0.681 1.00 41.32 H new ATOM 1989 N ILE A 126 -19.633 3.266 -2.890 1.00 44.01 N ATOM 1990 CA ILE A 126 -19.469 4.698 -2.657 1.00 4.03 C ATOM 1991 C ILE A 126 -20.200 5.137 -1.381 1.00 41.31 C ATOM 1992 O ILE A 126 -19.740 6.042 -0.681 1.00 23.42 O ATOM 1993 CB ILE A 126 -19.986 5.462 -3.893 1.00 62.14 C ATOM 1994 CG1 ILE A 126 -19.118 5.108 -5.130 1.00 30.30 C ATOM 1995 CG2 ILE A 126 -20.099 6.985 -3.687 1.00 12.44 C ATOM 1996 CD1 ILE A 126 -19.974 4.416 -6.182 1.00 33.44 C ATOM 0 H ILE A 126 -19.996 3.043 -3.817 1.00 44.01 H new ATOM 0 HA ILE A 126 -18.413 4.926 -2.509 1.00 4.03 H new ATOM 0 HB ILE A 126 -21.010 5.132 -4.065 1.00 62.14 H new ATOM 0 HG12 ILE A 126 -18.676 6.013 -5.546 1.00 30.30 H new ATOM 0 HG13 ILE A 126 -18.295 4.458 -4.834 1.00 30.30 H new ATOM 0 HG21 ILE A 126 -20.469 7.449 -4.601 1.00 12.44 H new ATOM 0 HG22 ILE A 126 -20.790 7.191 -2.870 1.00 12.44 H new ATOM 0 HG23 ILE A 126 -19.118 7.393 -3.444 1.00 12.44 H new ATOM 0 HD11 ILE A 126 -19.359 4.170 -7.048 1.00 33.44 H new ATOM 0 HD12 ILE A 126 -20.395 3.501 -5.764 1.00 33.44 H new ATOM 0 HD13 ILE A 126 -20.782 5.080 -6.488 1.00 33.44 H new ATOM 2008 N ASN A 127 -21.326 4.493 -1.078 1.00 74.44 N ATOM 2009 CA ASN A 127 -22.185 4.777 0.048 1.00 44.01 C ATOM 2010 C ASN A 127 -21.453 4.610 1.394 1.00 3.43 C ATOM 2011 O ASN A 127 -21.743 5.366 2.317 1.00 71.13 O ATOM 2012 CB ASN A 127 -23.417 3.889 -0.126 1.00 50.32 C ATOM 2013 CG ASN A 127 -24.247 3.762 1.133 1.00 71.15 C ATOM 2014 OD1 ASN A 127 -25.225 4.488 1.311 1.00 32.40 O ATOM 2015 ND2 ASN A 127 -23.887 2.839 2.000 1.00 41.44 N ATOM 0 H ASN A 127 -21.673 3.721 -1.647 1.00 74.44 H new ATOM 0 HA ASN A 127 -22.496 5.821 0.072 1.00 44.01 H new ATOM 0 HB2 ASN A 127 -24.039 4.295 -0.923 1.00 50.32 H new ATOM 0 HB3 ASN A 127 -23.099 2.896 -0.444 1.00 50.32 H new ATOM 0 HD21 ASN A 127 -24.425 2.706 2.856 1.00 41.44 H new ATOM 0 HD22 ASN A 127 -23.070 2.257 1.816 1.00 41.44 H new ATOM 2022 N GLU A 128 -20.481 3.691 1.496 1.00 24.22 N ATOM 2023 CA GLU A 128 -19.699 3.443 2.722 1.00 64.53 C ATOM 2024 C GLU A 128 -18.312 4.099 2.686 1.00 51.45 C ATOM 2025 O GLU A 128 -17.524 3.987 3.630 1.00 35.54 O ATOM 2026 CB GLU A 128 -19.544 1.920 2.940 1.00 73.32 C ATOM 2027 CG GLU A 128 -20.808 1.257 3.498 1.00 54.25 C ATOM 2028 CD GLU A 128 -21.291 1.970 4.769 1.00 15.33 C ATOM 2029 OE1 GLU A 128 -20.550 2.039 5.778 1.00 1.40 O ATOM 2030 OE2 GLU A 128 -22.396 2.556 4.710 1.00 15.00 O ATOM 0 H GLU A 128 -20.210 3.089 0.719 1.00 24.22 H new ATOM 0 HA GLU A 128 -20.248 3.894 3.549 1.00 64.53 H new ATOM 0 HB2 GLU A 128 -19.283 1.449 1.992 1.00 73.32 H new ATOM 0 HB3 GLU A 128 -18.715 1.740 3.625 1.00 73.32 H new ATOM 0 HG2 GLU A 128 -21.596 1.277 2.745 1.00 54.25 H new ATOM 0 HG3 GLU A 128 -20.605 0.209 3.720 1.00 54.25 H new ATOM 2037 N LEU A 129 -17.955 4.745 1.575 1.00 24.33 N ATOM 2038 CA LEU A 129 -16.568 5.096 1.316 1.00 72.13 C ATOM 2039 C LEU A 129 -16.054 6.151 2.287 1.00 54.44 C ATOM 2040 O LEU A 129 -14.983 5.983 2.867 1.00 51.25 O ATOM 2041 CB LEU A 129 -16.429 5.519 -0.143 1.00 21.50 C ATOM 2042 CG LEU A 129 -14.973 5.363 -0.601 1.00 33.22 C ATOM 2043 CD1 LEU A 129 -14.942 5.205 -2.111 1.00 52.42 C ATOM 2044 CD2 LEU A 129 -14.102 6.572 -0.323 1.00 34.20 C ATOM 0 H LEU A 129 -18.608 5.032 0.846 1.00 24.33 H new ATOM 0 HA LEU A 129 -15.938 4.223 1.485 1.00 72.13 H new ATOM 0 HB2 LEU A 129 -17.082 4.912 -0.770 1.00 21.50 H new ATOM 0 HB3 LEU A 129 -16.747 6.555 -0.261 1.00 21.50 H new ATOM 0 HG LEU A 129 -14.591 4.505 -0.048 1.00 33.22 H new ATOM 0 HD11 LEU A 129 -13.910 5.094 -2.444 1.00 52.42 H new ATOM 0 HD12 LEU A 129 -15.513 4.321 -2.396 1.00 52.42 H new ATOM 0 HD13 LEU A 129 -15.381 6.087 -2.578 1.00 52.42 H new ATOM 0 HD21 LEU A 129 -13.089 6.380 -0.677 1.00 34.20 H new ATOM 0 HD22 LEU A 129 -14.509 7.440 -0.841 1.00 34.20 H new ATOM 0 HD23 LEU A 129 -14.081 6.766 0.749 1.00 34.20 H new ATOM 2056 N GLU A 130 -16.810 7.233 2.450 1.00 60.33 N ATOM 2057 CA GLU A 130 -16.539 8.303 3.408 1.00 1.42 C ATOM 2058 C GLU A 130 -16.293 7.727 4.812 1.00 13.34 C ATOM 2059 O GLU A 130 -15.373 8.170 5.497 1.00 22.11 O ATOM 2060 CB GLU A 130 -17.698 9.331 3.392 1.00 14.00 C ATOM 2061 CG GLU A 130 -17.850 10.037 2.031 1.00 22.10 C ATOM 2062 CD GLU A 130 -19.177 10.791 1.832 1.00 24.30 C ATOM 2063 OE1 GLU A 130 -20.174 10.120 1.466 1.00 20.34 O ATOM 2064 OE2 GLU A 130 -19.179 12.046 1.883 1.00 23.50 O ATOM 0 H GLU A 130 -17.655 7.395 1.902 1.00 60.33 H new ATOM 0 HA GLU A 130 -15.628 8.825 3.116 1.00 1.42 H new ATOM 0 HB2 GLU A 130 -18.631 8.824 3.640 1.00 14.00 H new ATOM 0 HB3 GLU A 130 -17.526 10.078 4.167 1.00 14.00 H new ATOM 0 HG2 GLU A 130 -17.028 10.742 1.911 1.00 22.10 H new ATOM 0 HG3 GLU A 130 -17.750 9.294 1.240 1.00 22.10 H new ATOM 2071 N GLU A 131 -17.056 6.715 5.230 1.00 63.44 N ATOM 2072 CA GLU A 131 -16.846 6.043 6.507 1.00 23.12 C ATOM 2073 C GLU A 131 -15.555 5.207 6.513 1.00 35.52 C ATOM 2074 O GLU A 131 -14.845 5.163 7.522 1.00 74.41 O ATOM 2075 CB GLU A 131 -18.070 5.166 6.822 1.00 12.32 C ATOM 2076 CG GLU A 131 -18.067 4.828 8.314 1.00 63.33 C ATOM 2077 CD GLU A 131 -19.275 4.002 8.754 1.00 13.00 C ATOM 2078 OE1 GLU A 131 -20.404 4.507 8.742 1.00 55.03 O ATOM 2079 OE2 GLU A 131 -19.057 2.887 9.305 1.00 55.44 O ATOM 0 H GLU A 131 -17.836 6.341 4.690 1.00 63.44 H new ATOM 0 HA GLU A 131 -16.730 6.801 7.282 1.00 23.12 H new ATOM 0 HB2 GLU A 131 -18.988 5.690 6.556 1.00 12.32 H new ATOM 0 HB3 GLU A 131 -18.042 4.252 6.228 1.00 12.32 H new ATOM 0 HG2 GLU A 131 -17.156 4.280 8.552 1.00 63.33 H new ATOM 0 HG3 GLU A 131 -18.041 5.754 8.888 1.00 63.33 H new ATOM 2086 N THR A 132 -15.243 4.552 5.394 1.00 32.31 N ATOM 2087 CA THR A 132 -14.099 3.659 5.248 1.00 74.11 C ATOM 2088 C THR A 132 -12.800 4.457 5.353 1.00 0.32 C ATOM 2089 O THR A 132 -11.878 4.060 6.061 1.00 62.25 O ATOM 2090 CB THR A 132 -14.214 2.918 3.906 1.00 2.04 C ATOM 2091 OG1 THR A 132 -15.458 2.257 3.841 1.00 22.40 O ATOM 2092 CG2 THR A 132 -13.114 1.870 3.691 1.00 51.41 C ATOM 0 H THR A 132 -15.797 4.632 4.541 1.00 32.31 H new ATOM 0 HA THR A 132 -14.089 2.918 6.048 1.00 74.11 H new ATOM 0 HB THR A 132 -14.112 3.676 3.129 1.00 2.04 H new ATOM 0 HG1 THR A 132 -16.166 2.909 3.655 1.00 22.40 H new ATOM 0 HG21 THR A 132 -13.256 1.386 2.725 1.00 51.41 H new ATOM 0 HG22 THR A 132 -12.139 2.356 3.713 1.00 51.41 H new ATOM 0 HG23 THR A 132 -13.164 1.122 4.482 1.00 51.41 H new ATOM 2100 N ILE A 133 -12.710 5.611 4.687 1.00 1.10 N ATOM 2101 CA ILE A 133 -11.530 6.468 4.787 1.00 20.32 C ATOM 2102 C ILE A 133 -11.316 6.936 6.237 1.00 74.24 C ATOM 2103 O ILE A 133 -10.173 7.139 6.648 1.00 71.41 O ATOM 2104 CB ILE A 133 -11.623 7.636 3.782 1.00 2.43 C ATOM 2105 CG1 ILE A 133 -11.686 7.098 2.340 1.00 60.33 C ATOM 2106 CG2 ILE A 133 -10.358 8.498 3.840 1.00 63.12 C ATOM 2107 CD1 ILE A 133 -11.884 8.195 1.293 1.00 33.31 C ATOM 0 H ILE A 133 -13.441 5.972 4.074 1.00 1.10 H new ATOM 0 HA ILE A 133 -10.645 5.892 4.516 1.00 20.32 H new ATOM 0 HB ILE A 133 -12.513 8.208 4.042 1.00 2.43 H new ATOM 0 HG12 ILE A 133 -10.765 6.558 2.121 1.00 60.33 H new ATOM 0 HG13 ILE A 133 -12.503 6.380 2.263 1.00 60.33 H new ATOM 0 HG21 ILE A 133 -10.442 9.316 3.125 1.00 63.12 H new ATOM 0 HG22 ILE A 133 -10.241 8.905 4.844 1.00 63.12 H new ATOM 0 HG23 ILE A 133 -9.490 7.887 3.592 1.00 63.12 H new ATOM 0 HD11 ILE A 133 -11.920 7.748 0.300 1.00 33.31 H new ATOM 0 HD12 ILE A 133 -12.819 8.720 1.488 1.00 33.31 H new ATOM 0 HD13 ILE A 133 -11.055 8.900 1.344 1.00 33.31 H new ATOM 2119 N GLN A 134 -12.367 7.116 7.036 1.00 55.25 N ATOM 2120 CA GLN A 134 -12.188 7.468 8.446 1.00 71.55 C ATOM 2121 C GLN A 134 -11.546 6.292 9.197 1.00 2.04 C ATOM 2122 O GLN A 134 -10.614 6.492 9.980 1.00 72.34 O ATOM 2123 CB GLN A 134 -13.527 7.925 9.043 1.00 24.30 C ATOM 2124 CG GLN A 134 -14.089 9.179 8.343 1.00 63.23 C ATOM 2125 CD GLN A 134 -13.570 10.477 8.944 1.00 13.43 C ATOM 2126 OE1 GLN A 134 -12.428 10.864 8.724 1.00 33.34 O ATOM 2127 NE2 GLN A 134 -14.386 11.197 9.694 1.00 52.02 N ATOM 0 H GLN A 134 -13.338 7.026 6.738 1.00 55.25 H new ATOM 0 HA GLN A 134 -11.503 8.310 8.547 1.00 71.55 H new ATOM 0 HB2 GLN A 134 -14.251 7.114 8.965 1.00 24.30 H new ATOM 0 HB3 GLN A 134 -13.395 8.134 10.105 1.00 24.30 H new ATOM 0 HG2 GLN A 134 -13.829 9.145 7.285 1.00 63.23 H new ATOM 0 HG3 GLN A 134 -15.177 9.166 8.404 1.00 63.23 H new ATOM 0 HE21 GLN A 134 -15.335 10.870 9.874 1.00 52.02 H new ATOM 0 HE22 GLN A 134 -14.066 12.080 10.093 1.00 52.02 H new ATOM 2136 N ALA A 135 -11.961 5.058 8.891 1.00 24.32 N ATOM 2137 CA ALA A 135 -11.355 3.862 9.471 1.00 42.45 C ATOM 2138 C ALA A 135 -9.866 3.723 9.116 1.00 44.42 C ATOM 2139 O ALA A 135 -9.091 3.253 9.951 1.00 24.54 O ATOM 2140 CB ALA A 135 -12.143 2.617 9.054 1.00 62.54 C ATOM 0 H ALA A 135 -12.721 4.864 8.239 1.00 24.32 H new ATOM 0 HA ALA A 135 -11.402 3.964 10.555 1.00 42.45 H new ATOM 0 HB1 ALA A 135 -11.683 1.731 9.492 1.00 62.54 H new ATOM 0 HB2 ALA A 135 -13.171 2.703 9.405 1.00 62.54 H new ATOM 0 HB3 ALA A 135 -12.137 2.530 7.968 1.00 62.54 H new ATOM 2146 N VAL A 136 -9.454 4.158 7.921 1.00 54.22 N ATOM 2147 CA VAL A 136 -8.049 4.190 7.510 1.00 60.43 C ATOM 2148 C VAL A 136 -7.276 5.088 8.486 1.00 55.04 C ATOM 2149 O VAL A 136 -6.255 4.675 9.047 1.00 51.02 O ATOM 2150 CB VAL A 136 -7.937 4.688 6.049 1.00 64.41 C ATOM 2151 CG1 VAL A 136 -6.498 4.837 5.535 1.00 61.35 C ATOM 2152 CG2 VAL A 136 -8.703 3.795 5.066 1.00 40.41 C ATOM 0 H VAL A 136 -10.094 4.501 7.205 1.00 54.22 H new ATOM 0 HA VAL A 136 -7.616 3.190 7.541 1.00 60.43 H new ATOM 0 HB VAL A 136 -8.386 5.680 6.088 1.00 64.41 H new ATOM 0 HG11 VAL A 136 -6.515 5.190 4.504 1.00 61.35 H new ATOM 0 HG12 VAL A 136 -5.962 5.555 6.156 1.00 61.35 H new ATOM 0 HG13 VAL A 136 -5.994 3.872 5.580 1.00 61.35 H new ATOM 0 HG21 VAL A 136 -8.592 4.188 4.055 1.00 40.41 H new ATOM 0 HG22 VAL A 136 -8.303 2.782 5.107 1.00 40.41 H new ATOM 0 HG23 VAL A 136 -9.759 3.779 5.336 1.00 40.41 H new ATOM 2162 N GLN A 137 -7.761 6.319 8.696 1.00 4.03 N ATOM 2163 CA GLN A 137 -7.022 7.296 9.488 1.00 23.54 C ATOM 2164 C GLN A 137 -6.976 6.937 10.975 1.00 52.42 C ATOM 2165 O GLN A 137 -6.055 7.377 11.664 1.00 52.45 O ATOM 2166 CB GLN A 137 -7.558 8.723 9.322 1.00 2.42 C ATOM 2167 CG GLN A 137 -7.691 9.253 7.886 1.00 62.15 C ATOM 2168 CD GLN A 137 -6.493 9.053 6.958 1.00 13.03 C ATOM 2169 OE1 GLN A 137 -5.339 8.958 7.365 1.00 51.34 O ATOM 2170 NE2 GLN A 137 -6.748 8.973 5.660 1.00 63.23 N ATOM 0 H GLN A 137 -8.652 6.654 8.331 1.00 4.03 H new ATOM 0 HA GLN A 137 -6.006 7.264 9.094 1.00 23.54 H new ATOM 0 HB2 GLN A 137 -8.539 8.774 9.795 1.00 2.42 H new ATOM 0 HB3 GLN A 137 -6.903 9.398 9.873 1.00 2.42 H new ATOM 0 HG2 GLN A 137 -8.557 8.776 7.428 1.00 62.15 H new ATOM 0 HG3 GLN A 137 -7.905 10.321 7.938 1.00 62.15 H new ATOM 0 HE21 GLN A 137 -7.707 9.052 5.323 1.00 63.23 H new ATOM 0 HE22 GLN A 137 -5.985 8.832 4.998 1.00 63.23 H new ATOM 2179 N GLU A 138 -7.935 6.150 11.475 1.00 40.45 N ATOM 2180 CA GLU A 138 -7.967 5.655 12.848 1.00 53.22 C ATOM 2181 C GLU A 138 -6.721 4.825 13.170 1.00 1.24 C ATOM 2182 O GLU A 138 -6.138 4.965 14.247 1.00 24.31 O ATOM 2183 CB GLU A 138 -9.228 4.798 13.052 1.00 52.02 C ATOM 2184 CG GLU A 138 -10.370 5.550 13.749 1.00 72.12 C ATOM 2185 CD GLU A 138 -10.105 5.809 15.234 1.00 22.34 C ATOM 2186 OE1 GLU A 138 -9.531 6.859 15.593 1.00 41.12 O ATOM 2187 OE2 GLU A 138 -10.493 4.960 16.077 1.00 20.10 O ATOM 0 H GLU A 138 -8.729 5.834 10.918 1.00 40.45 H new ATOM 0 HA GLU A 138 -7.985 6.512 13.522 1.00 53.22 H new ATOM 0 HB2 GLU A 138 -9.576 4.441 12.083 1.00 52.02 H new ATOM 0 HB3 GLU A 138 -8.969 3.918 13.641 1.00 52.02 H new ATOM 0 HG2 GLU A 138 -10.530 6.503 13.244 1.00 72.12 H new ATOM 0 HG3 GLU A 138 -11.291 4.976 13.646 1.00 72.12 H new ATOM 2194 N GLU A 139 -6.301 3.953 12.255 1.00 21.21 N ATOM 2195 CA GLU A 139 -5.029 3.242 12.398 1.00 60.15 C ATOM 2196 C GLU A 139 -3.851 4.227 12.247 1.00 53.44 C ATOM 2197 O GLU A 139 -2.952 4.256 13.091 1.00 51.14 O ATOM 2198 CB GLU A 139 -4.907 2.073 11.410 1.00 52.11 C ATOM 2199 CG GLU A 139 -6.109 1.105 11.390 1.00 61.44 C ATOM 2200 CD GLU A 139 -5.753 -0.251 10.763 1.00 40.03 C ATOM 2201 OE1 GLU A 139 -4.962 -0.249 9.792 1.00 62.21 O ATOM 2202 OE2 GLU A 139 -6.315 -1.292 11.192 1.00 41.31 O ATOM 0 H GLU A 139 -6.820 3.721 11.408 1.00 21.21 H new ATOM 0 HA GLU A 139 -4.998 2.810 13.398 1.00 60.15 H new ATOM 0 HB2 GLU A 139 -4.770 2.478 10.407 1.00 52.11 H new ATOM 0 HB3 GLU A 139 -4.008 1.506 11.651 1.00 52.11 H new ATOM 0 HG2 GLU A 139 -6.465 0.950 12.408 1.00 61.44 H new ATOM 0 HG3 GLU A 139 -6.928 1.558 10.831 1.00 61.44 H new ATOM 2209 N ASN A 140 -3.880 5.065 11.199 1.00 32.22 N ATOM 2210 CA ASN A 140 -2.791 5.983 10.818 1.00 74.51 C ATOM 2211 C ASN A 140 -2.348 6.897 11.954 1.00 61.45 C ATOM 2212 O ASN A 140 -1.147 7.103 12.109 1.00 42.13 O ATOM 2213 CB ASN A 140 -3.158 6.838 9.588 1.00 60.53 C ATOM 2214 CG ASN A 140 -3.285 6.049 8.288 1.00 33.42 C ATOM 2215 OD1 ASN A 140 -2.941 4.881 8.211 1.00 35.03 O ATOM 2216 ND2 ASN A 140 -3.759 6.660 7.217 1.00 42.32 N ATOM 0 H ASN A 140 -4.684 5.126 10.574 1.00 32.22 H new ATOM 0 HA ASN A 140 -1.953 5.333 10.566 1.00 74.51 H new ATOM 0 HB2 ASN A 140 -4.102 7.348 9.783 1.00 60.53 H new ATOM 0 HB3 ASN A 140 -2.400 7.610 9.458 1.00 60.53 H new ATOM 0 HD21 ASN A 140 -3.835 6.155 6.334 1.00 42.32 H new ATOM 0 HD22 ASN A 140 -4.049 7.636 7.273 1.00 42.32 H new ATOM 2223 N LYS A 141 -3.270 7.456 12.745 1.00 63.45 N ATOM 2224 CA LYS A 141 -2.891 8.316 13.873 1.00 64.52 C ATOM 2225 C LYS A 141 -1.960 7.584 14.845 1.00 64.13 C ATOM 2226 O LYS A 141 -0.953 8.152 15.259 1.00 22.32 O ATOM 2227 CB LYS A 141 -4.124 8.884 14.595 1.00 75.31 C ATOM 2228 CG LYS A 141 -5.150 7.808 14.967 1.00 72.24 C ATOM 2229 CD LYS A 141 -6.168 8.233 16.017 1.00 32.24 C ATOM 2230 CE LYS A 141 -6.656 6.955 16.700 1.00 62.42 C ATOM 2231 NZ LYS A 141 -7.786 7.216 17.596 1.00 43.13 N ATOM 0 H LYS A 141 -4.275 7.331 12.628 1.00 63.45 H new ATOM 0 HA LYS A 141 -2.339 9.162 13.464 1.00 64.52 H new ATOM 0 HB2 LYS A 141 -3.803 9.400 15.500 1.00 75.31 H new ATOM 0 HB3 LYS A 141 -4.601 9.628 13.957 1.00 75.31 H new ATOM 0 HG2 LYS A 141 -5.683 7.507 14.065 1.00 72.24 H new ATOM 0 HG3 LYS A 141 -4.618 6.929 15.331 1.00 72.24 H new ATOM 0 HD2 LYS A 141 -5.716 8.911 16.742 1.00 32.24 H new ATOM 0 HD3 LYS A 141 -6.999 8.767 15.556 1.00 32.24 H new ATOM 0 HE2 LYS A 141 -6.952 6.228 15.943 1.00 62.42 H new ATOM 0 HE3 LYS A 141 -5.838 6.510 17.266 1.00 62.42 H new ATOM 0 HZ1 LYS A 141 -7.744 6.566 18.406 1.00 43.13 H new ATOM 0 HZ2 LYS A 141 -7.739 8.197 17.937 1.00 43.13 H new ATOM 0 HZ3 LYS A 141 -8.678 7.071 17.081 1.00 43.13 H new ATOM 2245 N ALA A 142 -2.279 6.331 15.182 1.00 73.44 N ATOM 2246 CA ALA A 142 -1.536 5.515 16.132 1.00 20.44 C ATOM 2247 C ALA A 142 -0.149 5.184 15.596 1.00 23.12 C ATOM 2248 O ALA A 142 0.770 4.956 16.381 1.00 13.14 O ATOM 2249 CB ALA A 142 -2.303 4.215 16.408 1.00 4.32 C ATOM 0 H ALA A 142 -3.086 5.847 14.787 1.00 73.44 H new ATOM 0 HA ALA A 142 -1.424 6.081 17.057 1.00 20.44 H new ATOM 0 HB1 ALA A 142 -1.744 3.607 17.119 1.00 4.32 H new ATOM 0 HB2 ALA A 142 -3.282 4.452 16.824 1.00 4.32 H new ATOM 0 HB3 ALA A 142 -2.428 3.662 15.477 1.00 4.32 H new ATOM 2255 N PHE A 143 -0.002 5.135 14.272 1.00 63.24 N ATOM 2256 CA PHE A 143 1.282 4.986 13.632 1.00 21.42 C ATOM 2257 C PHE A 143 2.075 6.288 13.756 1.00 44.21 C ATOM 2258 O PHE A 143 3.108 6.301 14.419 1.00 41.14 O ATOM 2259 CB PHE A 143 1.087 4.534 12.182 1.00 41.33 C ATOM 2260 CG PHE A 143 2.397 4.288 11.478 1.00 23.40 C ATOM 2261 CD1 PHE A 143 2.976 3.009 11.522 1.00 43.52 C ATOM 2262 CD2 PHE A 143 3.079 5.350 10.857 1.00 55.51 C ATOM 2263 CE1 PHE A 143 4.237 2.798 10.950 1.00 0.53 C ATOM 2264 CE2 PHE A 143 4.337 5.135 10.273 1.00 75.32 C ATOM 2265 CZ PHE A 143 4.915 3.854 10.323 1.00 1.33 C ATOM 0 H PHE A 143 -0.783 5.199 13.619 1.00 63.24 H new ATOM 0 HA PHE A 143 1.868 4.212 14.128 1.00 21.42 H new ATOM 0 HB2 PHE A 143 0.491 3.621 12.165 1.00 41.33 H new ATOM 0 HB3 PHE A 143 0.523 5.293 11.640 1.00 41.33 H new ATOM 0 HD1 PHE A 143 2.451 2.192 11.995 1.00 43.52 H new ATOM 0 HD2 PHE A 143 2.633 6.333 10.830 1.00 55.51 H new ATOM 0 HE1 PHE A 143 4.689 1.818 10.992 1.00 0.53 H new ATOM 0 HE2 PHE A 143 4.858 5.948 9.789 1.00 75.32 H new ATOM 0 HZ PHE A 143 5.884 3.683 9.877 1.00 1.33 H new ATOM 2275 N GLU A 144 1.640 7.383 13.120 1.00 15.22 N ATOM 2276 CA GLU A 144 2.503 8.560 12.951 1.00 41.52 C ATOM 2277 C GLU A 144 2.895 9.206 14.281 1.00 53.23 C ATOM 2278 O GLU A 144 4.015 9.704 14.434 1.00 64.31 O ATOM 2279 CB GLU A 144 1.917 9.588 11.979 1.00 54.32 C ATOM 2280 CG GLU A 144 0.521 10.111 12.320 1.00 21.42 C ATOM 2281 CD GLU A 144 0.426 11.613 12.018 1.00 15.12 C ATOM 2282 OE1 GLU A 144 0.279 11.990 10.831 1.00 34.22 O ATOM 2283 OE2 GLU A 144 0.573 12.449 12.954 1.00 55.44 O ATOM 0 H GLU A 144 0.707 7.479 12.718 1.00 15.22 H new ATOM 0 HA GLU A 144 3.422 8.184 12.501 1.00 41.52 H new ATOM 0 HB2 GLU A 144 2.598 10.437 11.924 1.00 54.32 H new ATOM 0 HB3 GLU A 144 1.884 9.142 10.985 1.00 54.32 H new ATOM 0 HG2 GLU A 144 -0.229 9.569 11.743 1.00 21.42 H new ATOM 0 HG3 GLU A 144 0.305 9.931 13.373 1.00 21.42 H new ATOM 2290 N GLU A 145 2.004 9.135 15.271 1.00 34.14 N ATOM 2291 CA GLU A 145 2.224 9.677 16.600 1.00 12.54 C ATOM 2292 C GLU A 145 3.440 9.029 17.285 1.00 52.15 C ATOM 2293 O GLU A 145 4.106 9.630 18.133 1.00 54.31 O ATOM 2294 CB GLU A 145 0.924 9.461 17.373 1.00 3.24 C ATOM 2295 CG GLU A 145 0.997 10.102 18.749 1.00 64.42 C ATOM 2296 CD GLU A 145 -0.384 10.289 19.387 1.00 44.35 C ATOM 2297 OE1 GLU A 145 -1.256 11.014 18.845 1.00 22.51 O ATOM 2298 OE2 GLU A 145 -0.616 9.696 20.459 1.00 23.44 O ATOM 0 H GLU A 145 1.093 8.689 15.163 1.00 34.14 H new ATOM 0 HA GLU A 145 2.465 10.739 16.559 1.00 12.54 H new ATOM 0 HB2 GLU A 145 0.090 9.885 16.814 1.00 3.24 H new ATOM 0 HB3 GLU A 145 0.730 8.393 17.475 1.00 3.24 H new ATOM 0 HG2 GLU A 145 1.614 9.484 19.401 1.00 64.42 H new ATOM 0 HG3 GLU A 145 1.490 11.071 18.669 1.00 64.42 H new ATOM 2305 N LEU A 146 3.760 7.812 16.859 1.00 20.40 N ATOM 2306 CA LEU A 146 4.762 6.902 17.406 1.00 42.45 C ATOM 2307 C LEU A 146 5.915 6.595 16.442 1.00 11.55 C ATOM 2308 O LEU A 146 6.951 6.087 16.873 1.00 72.10 O ATOM 2309 CB LEU A 146 4.060 5.614 17.806 1.00 11.22 C ATOM 2310 CG LEU A 146 3.034 5.795 18.930 1.00 15.33 C ATOM 2311 CD1 LEU A 146 2.416 4.430 19.199 1.00 55.44 C ATOM 2312 CD2 LEU A 146 3.660 6.374 20.199 1.00 64.43 C ATOM 0 H LEU A 146 3.286 7.402 16.055 1.00 20.40 H new ATOM 0 HA LEU A 146 5.221 7.393 18.264 1.00 42.45 H new ATOM 0 HB2 LEU A 146 3.559 5.197 16.932 1.00 11.22 H new ATOM 0 HB3 LEU A 146 4.807 4.886 18.122 1.00 11.22 H new ATOM 0 HG LEU A 146 2.274 6.513 18.621 1.00 15.33 H new ATOM 0 HD11 LEU A 146 1.677 4.516 19.996 1.00 55.44 H new ATOM 0 HD12 LEU A 146 1.932 4.065 18.293 1.00 55.44 H new ATOM 0 HD13 LEU A 146 3.196 3.731 19.501 1.00 55.44 H new ATOM 0 HD21 LEU A 146 2.893 6.483 20.966 1.00 64.43 H new ATOM 0 HD22 LEU A 146 4.440 5.703 20.559 1.00 64.43 H new ATOM 0 HD23 LEU A 146 4.094 7.349 19.978 1.00 64.43 H new ATOM 2324 N HIS A 147 5.758 6.915 15.165 1.00 22.34 N ATOM 2325 CA HIS A 147 6.719 6.691 14.078 1.00 41.40 C ATOM 2326 C HIS A 147 7.048 8.039 13.392 1.00 63.13 C ATOM 2327 O HIS A 147 6.567 8.293 12.285 1.00 64.30 O ATOM 2328 CB HIS A 147 6.179 5.633 13.091 1.00 51.53 C ATOM 2329 CG HIS A 147 6.080 4.217 13.627 1.00 64.32 C ATOM 2330 ND1 HIS A 147 6.691 3.083 13.115 1.00 54.22 N ATOM 2331 CD2 HIS A 147 5.296 3.805 14.672 1.00 60.05 C ATOM 2332 CE1 HIS A 147 6.295 2.033 13.858 1.00 61.25 C ATOM 2333 NE2 HIS A 147 5.467 2.430 14.838 1.00 15.42 N ATOM 0 H HIS A 147 4.906 7.366 14.833 1.00 22.34 H new ATOM 0 HA HIS A 147 7.651 6.293 14.480 1.00 41.40 H new ATOM 0 HB2 HIS A 147 5.189 5.945 12.759 1.00 51.53 H new ATOM 0 HB3 HIS A 147 6.822 5.624 12.211 1.00 51.53 H new ATOM 0 HD2 HIS A 147 4.654 4.438 15.267 1.00 60.05 H new ATOM 0 HE1 HIS A 147 6.601 1.011 13.689 1.00 61.25 H new ATOM 0 HE2 HIS A 147 5.047 1.844 15.559 1.00 15.42 H new ATOM 2341 N PRO A 148 7.843 8.918 14.036 1.00 71.02 N ATOM 2342 CA PRO A 148 8.166 10.260 13.546 1.00 51.12 C ATOM 2343 C PRO A 148 9.165 10.265 12.390 1.00 31.05 C ATOM 2344 O PRO A 148 8.820 10.824 11.326 1.00 22.03 O ATOM 2345 CB PRO A 148 8.745 11.016 14.742 1.00 43.12 C ATOM 2346 CG PRO A 148 9.293 9.914 15.640 1.00 44.41 C ATOM 2347 CD PRO A 148 8.326 8.766 15.398 1.00 61.30 C ATOM 0 HA PRO A 148 7.265 10.724 13.146 1.00 51.12 H new ATOM 0 HB2 PRO A 148 9.529 11.709 14.436 1.00 43.12 H new ATOM 0 HB3 PRO A 148 7.981 11.604 15.251 1.00 43.12 H new ATOM 0 HG2 PRO A 148 10.315 9.645 15.372 1.00 44.41 H new ATOM 0 HG3 PRO A 148 9.307 10.216 16.687 1.00 44.41 H new ATOM 0 HD2 PRO A 148 8.823 7.805 15.529 1.00 61.30 H new ATOM 0 HD3 PRO A 148 7.500 8.797 16.109 1.00 61.30 H new