USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 662 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 45 ASN : amide:sc= 0.00375 X(o=0.007,f=-0.17) USER MOD Set 1.2: A 51 LYS NZ :NH3+ -165:sc= 0.00326 (180deg=0) USER MOD Set 2.1: A 50 MET CE :methyl 154:sc= -0.0301 (180deg=-0.851) USER MOD Set 2.2: A 76 THR OG1 : rot 180:sc= 0.00622 USER MOD Single : A 9 LYS NZ :NH3+ -172:sc= 0.0633 (180deg=0.0496) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 180:sc= -0.654 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HE2:sc= 1.29 K(o=1.3,f=-4.4!) USER MOD Single : A 19 LYS NZ :NH3+ 163:sc= 1.06 (180deg=0.858) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 HIS : no HE2:sc= 0.241 K(o=0.24,f=-0.85) USER MOD Single : A 31 ASN : amide:sc= 0.0503 K(o=0.05,f=-1.3) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 138:sc= 1.25 USER MOD Single : A 53 HIS : no HD1:sc= -0.461 X(o=-0.46,f=-0.49) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.464 USER MOD Single : A 63 GLN : amide:sc= 0.0881 K(o=0.088,f=-1.7) USER MOD Single : A 67 THR OG1 : rot -38:sc= 0.785 USER MOD Single : A 68 ASN : amide:sc= 0.19 X(o=0.19,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 178:sc= 0.785 (180deg=0.771) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 155:sc= 0.589 (180deg=0.146) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -112:sc= 0.744 (180deg=-0.0225) USER MOD Single : A 91 ASN : amide:sc= -0.455 X(o=-0.46,f=-0.77) USER MOD Single : A 95 TYR OH : rot 138:sc= 0.681 USER MOD ----------------------------------------------------------------- ATOM 29 N ASP A 3 4.926 -1.429 -4.505 1.00 0.00 N ATOM 30 CA ASP A 3 4.958 -1.182 -5.966 1.00 0.00 C ATOM 31 C ASP A 3 6.404 -1.427 -6.550 1.00 0.00 C ATOM 32 O ASP A 3 7.288 -0.599 -6.297 1.00 0.00 O ATOM 33 CB ASP A 3 4.426 0.261 -6.169 1.00 0.00 C ATOM 34 CG ASP A 3 4.227 0.653 -7.629 1.00 0.00 C ATOM 35 OD1 ASP A 3 5.126 1.087 -8.340 1.00 0.00 O ATOM 36 OD2 ASP A 3 2.951 0.449 -8.056 1.00 0.00 O ATOM 0 HA ASP A 3 4.328 -1.877 -6.520 1.00 0.00 H new ATOM 0 HB2 ASP A 3 3.476 0.363 -5.644 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.122 0.961 -5.708 1.00 0.00 H new ATOM 41 N PRO A 4 6.692 -2.484 -7.368 1.00 0.00 N ATOM 42 CA PRO A 4 8.048 -2.706 -7.965 1.00 0.00 C ATOM 43 C PRO A 4 8.525 -1.742 -9.113 1.00 0.00 C ATOM 44 O PRO A 4 9.716 -1.723 -9.442 1.00 0.00 O ATOM 45 CB PRO A 4 7.948 -4.182 -8.398 1.00 0.00 C ATOM 46 CG PRO A 4 6.469 -4.436 -8.686 1.00 0.00 C ATOM 47 CD PRO A 4 5.723 -3.544 -7.696 1.00 0.00 C ATOM 0 HA PRO A 4 8.833 -2.475 -7.245 1.00 0.00 H new ATOM 0 HB2 PRO A 4 8.556 -4.371 -9.283 1.00 0.00 H new ATOM 0 HB3 PRO A 4 8.312 -4.845 -7.613 1.00 0.00 H new ATOM 0 HG2 PRO A 4 6.217 -4.182 -9.716 1.00 0.00 H new ATOM 0 HG3 PRO A 4 6.212 -5.486 -8.544 1.00 0.00 H new ATOM 0 HD2 PRO A 4 4.815 -3.132 -8.136 1.00 0.00 H new ATOM 0 HD3 PRO A 4 5.423 -4.099 -6.807 1.00 0.00 H new ATOM 55 N ALA A 5 7.632 -0.915 -9.686 1.00 0.00 N ATOM 56 CA ALA A 5 8.023 0.290 -10.480 1.00 0.00 C ATOM 57 C ALA A 5 8.631 1.473 -9.651 1.00 0.00 C ATOM 58 O ALA A 5 9.645 2.050 -10.052 1.00 0.00 O ATOM 59 CB ALA A 5 6.809 0.707 -11.330 1.00 0.00 C ATOM 0 H ALA A 5 6.623 -1.051 -9.619 1.00 0.00 H new ATOM 0 HA ALA A 5 8.859 0.012 -11.122 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.064 1.586 -11.922 1.00 0.00 H new ATOM 0 HB2 ALA A 5 6.532 -0.111 -11.995 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.970 0.942 -10.675 1.00 0.00 H new ATOM 65 N ALA A 6 8.061 1.803 -8.478 1.00 0.00 N ATOM 66 CA ALA A 6 8.736 2.656 -7.461 1.00 0.00 C ATOM 67 C ALA A 6 9.973 2.028 -6.735 1.00 0.00 C ATOM 68 O ALA A 6 10.929 2.750 -6.445 1.00 0.00 O ATOM 69 CB ALA A 6 7.638 3.102 -6.482 1.00 0.00 C ATOM 0 H ALA A 6 7.129 1.494 -8.202 1.00 0.00 H new ATOM 0 HA ALA A 6 9.201 3.497 -7.975 1.00 0.00 H new ATOM 0 HB1 ALA A 6 8.075 3.734 -5.709 1.00 0.00 H new ATOM 0 HB2 ALA A 6 6.875 3.663 -7.022 1.00 0.00 H new ATOM 0 HB3 ALA A 6 7.184 2.225 -6.020 1.00 0.00 H new ATOM 75 N GLY A 7 9.999 0.701 -6.501 1.00 0.00 N ATOM 76 CA GLY A 7 11.219 -0.019 -6.032 1.00 0.00 C ATOM 77 C GLY A 7 12.469 -0.038 -6.946 1.00 0.00 C ATOM 78 O GLY A 7 13.590 -0.074 -6.439 1.00 0.00 O ATOM 0 H GLY A 7 9.188 0.095 -6.628 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.514 0.417 -5.078 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.937 -1.054 -5.836 1.00 0.00 H new ATOM 82 N GLU A 8 12.276 0.046 -8.272 1.00 0.00 N ATOM 83 CA GLU A 8 13.355 0.421 -9.243 1.00 0.00 C ATOM 84 C GLU A 8 14.018 1.819 -8.976 1.00 0.00 C ATOM 85 O GLU A 8 15.245 1.937 -8.966 1.00 0.00 O ATOM 86 CB GLU A 8 12.759 0.354 -10.684 1.00 0.00 C ATOM 87 CG GLU A 8 12.455 -1.069 -11.212 1.00 0.00 C ATOM 88 CD GLU A 8 11.490 -1.149 -12.390 1.00 0.00 C ATOM 89 OE1 GLU A 8 11.770 -0.763 -13.521 1.00 0.00 O ATOM 90 OE2 GLU A 8 10.298 -1.723 -12.041 1.00 0.00 O ATOM 0 H GLU A 8 11.376 -0.140 -8.715 1.00 0.00 H new ATOM 0 HA GLU A 8 14.168 -0.294 -9.117 1.00 0.00 H new ATOM 0 HB2 GLU A 8 11.837 0.935 -10.705 1.00 0.00 H new ATOM 0 HB3 GLU A 8 13.456 0.836 -11.370 1.00 0.00 H new ATOM 0 HG2 GLU A 8 13.395 -1.536 -11.505 1.00 0.00 H new ATOM 0 HG3 GLU A 8 12.047 -1.661 -10.392 1.00 0.00 H new ATOM 97 N LYS A 9 13.196 2.854 -8.728 1.00 0.00 N ATOM 98 CA LYS A 9 13.653 4.220 -8.335 1.00 0.00 C ATOM 99 C LYS A 9 14.310 4.294 -6.921 1.00 0.00 C ATOM 100 O LYS A 9 15.395 4.860 -6.769 1.00 0.00 O ATOM 101 CB LYS A 9 12.454 5.209 -8.452 1.00 0.00 C ATOM 102 CG LYS A 9 11.751 5.211 -9.827 1.00 0.00 C ATOM 103 CD LYS A 9 10.753 6.364 -10.070 1.00 0.00 C ATOM 104 CE LYS A 9 9.348 6.160 -9.472 1.00 0.00 C ATOM 105 NZ LYS A 9 8.574 5.162 -10.245 1.00 0.00 N ATOM 0 H LYS A 9 12.181 2.775 -8.793 1.00 0.00 H new ATOM 0 HA LYS A 9 14.448 4.503 -9.025 1.00 0.00 H new ATOM 0 HB2 LYS A 9 11.721 4.962 -7.685 1.00 0.00 H new ATOM 0 HB3 LYS A 9 12.810 6.217 -8.240 1.00 0.00 H new ATOM 0 HG2 LYS A 9 12.514 5.247 -10.604 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.221 4.266 -9.944 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.175 7.280 -9.657 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.653 6.515 -11.145 1.00 0.00 H new ATOM 0 HE2 LYS A 9 9.435 5.833 -8.436 1.00 0.00 H new ATOM 0 HE3 LYS A 9 8.813 7.110 -9.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.592 5.145 -9.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 8.586 5.418 -11.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 9.000 4.221 -10.122 1.00 0.00 H new ATOM 118 N VAL A 10 13.673 3.674 -5.909 1.00 0.00 N ATOM 119 CA VAL A 10 14.280 3.476 -4.549 1.00 0.00 C ATOM 120 C VAL A 10 15.629 2.660 -4.563 1.00 0.00 C ATOM 121 O VAL A 10 16.582 3.087 -3.903 1.00 0.00 O ATOM 122 CB VAL A 10 13.230 2.939 -3.510 1.00 0.00 C ATOM 123 CG1 VAL A 10 13.811 2.757 -2.086 1.00 0.00 C ATOM 124 CG2 VAL A 10 11.982 3.842 -3.341 1.00 0.00 C ATOM 0 H VAL A 10 12.730 3.294 -5.995 1.00 0.00 H new ATOM 0 HA VAL A 10 14.575 4.467 -4.204 1.00 0.00 H new ATOM 0 HB VAL A 10 12.948 1.981 -3.946 1.00 0.00 H new ATOM 0 HG11 VAL A 10 13.033 2.384 -1.420 1.00 0.00 H new ATOM 0 HG12 VAL A 10 14.634 2.043 -2.117 1.00 0.00 H new ATOM 0 HG13 VAL A 10 14.176 3.715 -1.717 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.309 3.399 -2.607 1.00 0.00 H new ATOM 0 HG22 VAL A 10 12.291 4.830 -3.000 1.00 0.00 H new ATOM 0 HG23 VAL A 10 11.467 3.933 -4.297 1.00 0.00 H new ATOM 134 N PHE A 11 15.755 1.548 -5.325 1.00 0.00 N ATOM 135 CA PHE A 11 17.078 0.901 -5.579 1.00 0.00 C ATOM 136 C PHE A 11 18.169 1.776 -6.286 1.00 0.00 C ATOM 137 O PHE A 11 19.347 1.543 -6.020 1.00 0.00 O ATOM 138 CB PHE A 11 16.880 -0.471 -6.281 1.00 0.00 C ATOM 139 CG PHE A 11 18.133 -1.378 -6.289 1.00 0.00 C ATOM 140 CD1 PHE A 11 18.599 -1.949 -5.101 1.00 0.00 C ATOM 141 CD2 PHE A 11 18.840 -1.605 -7.475 1.00 0.00 C ATOM 142 CE1 PHE A 11 19.768 -2.707 -5.093 1.00 0.00 C ATOM 143 CE2 PHE A 11 19.998 -2.382 -7.470 1.00 0.00 C ATOM 144 CZ PHE A 11 20.466 -2.924 -6.276 1.00 0.00 C ATOM 0 H PHE A 11 14.968 1.079 -5.774 1.00 0.00 H new ATOM 0 HA PHE A 11 17.506 0.754 -4.587 1.00 0.00 H new ATOM 0 HB2 PHE A 11 16.066 -1.002 -5.788 1.00 0.00 H new ATOM 0 HB3 PHE A 11 16.568 -0.296 -7.311 1.00 0.00 H new ATOM 0 HD1 PHE A 11 18.049 -1.802 -4.183 1.00 0.00 H new ATOM 0 HD2 PHE A 11 18.486 -1.175 -8.401 1.00 0.00 H new ATOM 0 HE1 PHE A 11 20.132 -3.127 -4.167 1.00 0.00 H new ATOM 0 HE2 PHE A 11 20.531 -2.563 -8.392 1.00 0.00 H new ATOM 0 HZ PHE A 11 21.371 -3.513 -6.269 1.00 0.00 H new ATOM 154 N GLY A 12 17.836 2.794 -7.103 1.00 0.00 N ATOM 155 CA GLY A 12 18.836 3.795 -7.586 1.00 0.00 C ATOM 156 C GLY A 12 19.724 4.542 -6.547 1.00 0.00 C ATOM 157 O GLY A 12 20.892 4.816 -6.827 1.00 0.00 O ATOM 0 H GLY A 12 16.889 2.954 -7.447 1.00 0.00 H new ATOM 0 HA2 GLY A 12 19.503 3.284 -8.281 1.00 0.00 H new ATOM 0 HA3 GLY A 12 18.296 4.549 -8.159 1.00 0.00 H new ATOM 161 N LYS A 13 19.195 4.805 -5.341 1.00 0.00 N ATOM 162 CA LYS A 13 20.017 5.167 -4.141 1.00 0.00 C ATOM 163 C LYS A 13 21.005 4.055 -3.623 1.00 0.00 C ATOM 164 O LYS A 13 22.113 4.372 -3.182 1.00 0.00 O ATOM 165 CB LYS A 13 19.055 5.618 -3.007 1.00 0.00 C ATOM 166 CG LYS A 13 18.290 6.942 -3.254 1.00 0.00 C ATOM 167 CD LYS A 13 17.249 7.290 -2.169 1.00 0.00 C ATOM 168 CE LYS A 13 15.959 6.456 -2.259 1.00 0.00 C ATOM 169 NZ LYS A 13 14.993 6.905 -1.238 1.00 0.00 N ATOM 0 H LYS A 13 18.192 4.777 -5.155 1.00 0.00 H new ATOM 0 HA LYS A 13 20.679 5.973 -4.457 1.00 0.00 H new ATOM 0 HB2 LYS A 13 18.326 4.826 -2.839 1.00 0.00 H new ATOM 0 HB3 LYS A 13 19.631 5.720 -2.088 1.00 0.00 H new ATOM 0 HG2 LYS A 13 19.011 7.756 -3.323 1.00 0.00 H new ATOM 0 HG3 LYS A 13 17.785 6.881 -4.218 1.00 0.00 H new ATOM 0 HD2 LYS A 13 17.698 7.143 -1.187 1.00 0.00 H new ATOM 0 HD3 LYS A 13 16.994 8.347 -2.248 1.00 0.00 H new ATOM 0 HE2 LYS A 13 15.522 6.554 -3.253 1.00 0.00 H new ATOM 0 HE3 LYS A 13 16.188 5.400 -2.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 14.125 6.336 -1.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 15.409 6.789 -0.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 14.763 7.907 -1.395 1.00 0.00 H new ATOM 182 N CYS A 14 20.614 2.770 -3.679 1.00 0.00 N ATOM 183 CA CYS A 14 21.525 1.616 -3.456 1.00 0.00 C ATOM 184 C CYS A 14 22.564 1.314 -4.599 1.00 0.00 C ATOM 185 O CYS A 14 23.668 0.860 -4.288 1.00 0.00 O ATOM 186 CB CYS A 14 20.640 0.371 -3.210 1.00 0.00 C ATOM 187 SG CYS A 14 19.052 0.696 -2.388 1.00 0.00 S ATOM 0 H CYS A 14 19.653 2.493 -3.881 1.00 0.00 H new ATOM 0 HA CYS A 14 22.149 1.879 -2.602 1.00 0.00 H new ATOM 0 HB2 CYS A 14 20.442 -0.109 -4.169 1.00 0.00 H new ATOM 0 HB3 CYS A 14 21.203 -0.341 -2.607 1.00 0.00 H new ATOM 0 HG CYS A 14 18.403 -0.421 -2.241 1.00 0.00 H new ATOM 192 N LYS A 15 22.226 1.540 -5.893 1.00 0.00 N ATOM 193 CA LYS A 15 23.079 1.177 -7.075 1.00 0.00 C ATOM 194 C LYS A 15 24.568 1.657 -7.116 1.00 0.00 C ATOM 195 O LYS A 15 25.400 0.977 -7.722 1.00 0.00 O ATOM 196 CB LYS A 15 22.388 1.642 -8.392 1.00 0.00 C ATOM 197 CG LYS A 15 21.179 0.807 -8.861 1.00 0.00 C ATOM 198 CD LYS A 15 20.623 1.285 -10.217 1.00 0.00 C ATOM 199 CE LYS A 15 19.293 0.606 -10.573 1.00 0.00 C ATOM 200 NZ LYS A 15 18.811 1.099 -11.877 1.00 0.00 N ATOM 0 H LYS A 15 21.347 1.983 -6.158 1.00 0.00 H new ATOM 0 HA LYS A 15 23.155 0.095 -6.967 1.00 0.00 H new ATOM 0 HB2 LYS A 15 22.061 2.674 -8.261 1.00 0.00 H new ATOM 0 HB3 LYS A 15 23.133 1.642 -9.188 1.00 0.00 H new ATOM 0 HG2 LYS A 15 21.473 -0.240 -8.941 1.00 0.00 H new ATOM 0 HG3 LYS A 15 20.391 0.860 -8.110 1.00 0.00 H new ATOM 0 HD2 LYS A 15 20.481 2.365 -10.188 1.00 0.00 H new ATOM 0 HD3 LYS A 15 21.354 1.080 -10.999 1.00 0.00 H new ATOM 0 HE2 LYS A 15 19.425 -0.475 -10.609 1.00 0.00 H new ATOM 0 HE3 LYS A 15 18.552 0.811 -9.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 17.910 0.635 -12.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 18.668 2.128 -11.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 19.514 0.882 -12.612 1.00 0.00 H new ATOM 213 N ALA A 16 24.915 2.792 -6.480 1.00 0.00 N ATOM 214 CA ALA A 16 26.338 3.170 -6.242 1.00 0.00 C ATOM 215 C ALA A 16 27.204 2.164 -5.405 1.00 0.00 C ATOM 216 O ALA A 16 28.416 2.079 -5.617 1.00 0.00 O ATOM 217 CB ALA A 16 26.311 4.572 -5.603 1.00 0.00 C ATOM 0 H ALA A 16 24.240 3.466 -6.120 1.00 0.00 H new ATOM 0 HA ALA A 16 26.850 3.151 -7.204 1.00 0.00 H new ATOM 0 HB1 ALA A 16 27.331 4.902 -5.406 1.00 0.00 H new ATOM 0 HB2 ALA A 16 25.829 5.273 -6.284 1.00 0.00 H new ATOM 0 HB3 ALA A 16 25.754 4.534 -4.667 1.00 0.00 H new ATOM 223 N CYS A 17 26.581 1.402 -4.488 1.00 0.00 N ATOM 224 CA CYS A 17 27.222 0.270 -3.784 1.00 0.00 C ATOM 225 C CYS A 17 26.758 -1.152 -4.266 1.00 0.00 C ATOM 226 O CYS A 17 27.622 -2.008 -4.473 1.00 0.00 O ATOM 227 CB CYS A 17 26.971 0.500 -2.280 1.00 0.00 C ATOM 228 SG CYS A 17 27.418 2.181 -1.738 1.00 0.00 S ATOM 0 H CYS A 17 25.611 1.553 -4.211 1.00 0.00 H new ATOM 0 HA CYS A 17 28.287 0.259 -4.014 1.00 0.00 H new ATOM 0 HB2 CYS A 17 25.919 0.320 -2.060 1.00 0.00 H new ATOM 0 HB3 CYS A 17 27.545 -0.227 -1.705 1.00 0.00 H new ATOM 0 HG CYS A 17 27.179 2.305 -0.466 1.00 0.00 H new ATOM 233 N HIS A 18 25.440 -1.429 -4.405 1.00 0.00 N ATOM 234 CA HIS A 18 24.904 -2.802 -4.666 1.00 0.00 C ATOM 235 C HIS A 18 24.504 -3.024 -6.157 1.00 0.00 C ATOM 236 O HIS A 18 23.855 -2.175 -6.772 1.00 0.00 O ATOM 237 CB HIS A 18 23.657 -3.061 -3.782 1.00 0.00 C ATOM 238 CG HIS A 18 23.920 -3.229 -2.293 1.00 0.00 C ATOM 239 ND1 HIS A 18 24.297 -4.408 -1.707 1.00 0.00 N ATOM 240 CD2 HIS A 18 23.656 -2.281 -1.310 1.00 0.00 C ATOM 241 CE1 HIS A 18 24.197 -4.089 -0.390 1.00 0.00 C ATOM 242 NE2 HIS A 18 23.739 -2.831 -0.019 1.00 0.00 N ATOM 0 H HIS A 18 24.714 -0.715 -4.341 1.00 0.00 H new ATOM 0 HA HIS A 18 25.708 -3.497 -4.424 1.00 0.00 H new ATOM 0 HB2 HIS A 18 22.962 -2.232 -3.917 1.00 0.00 H new ATOM 0 HB3 HIS A 18 23.158 -3.959 -4.146 1.00 0.00 H new ATOM 0 HD1 HIS A 18 24.577 -5.287 -2.141 1.00 0.00 H new ATOM 0 HD2 HIS A 18 23.416 -1.248 -1.514 1.00 0.00 H new ATOM 0 HE1 HIS A 18 24.472 -4.810 0.365 1.00 0.00 H new ATOM 250 N LYS A 19 24.848 -4.193 -6.728 1.00 0.00 N ATOM 251 CA LYS A 19 24.753 -4.414 -8.210 1.00 0.00 C ATOM 252 C LYS A 19 23.680 -5.445 -8.683 1.00 0.00 C ATOM 253 O LYS A 19 23.138 -5.258 -9.773 1.00 0.00 O ATOM 254 CB LYS A 19 26.175 -4.717 -8.765 1.00 0.00 C ATOM 255 CG LYS A 19 27.179 -3.540 -8.589 1.00 0.00 C ATOM 256 CD LYS A 19 28.661 -3.910 -8.782 1.00 0.00 C ATOM 257 CE LYS A 19 29.647 -2.748 -8.550 1.00 0.00 C ATOM 258 NZ LYS A 19 29.692 -2.311 -7.137 1.00 0.00 N ATOM 0 H LYS A 19 25.192 -4.999 -6.206 1.00 0.00 H new ATOM 0 HA LYS A 19 24.373 -3.487 -8.639 1.00 0.00 H new ATOM 0 HB2 LYS A 19 26.571 -5.599 -8.262 1.00 0.00 H new ATOM 0 HB3 LYS A 19 26.098 -4.962 -9.824 1.00 0.00 H new ATOM 0 HG2 LYS A 19 26.922 -2.754 -9.299 1.00 0.00 H new ATOM 0 HG3 LYS A 19 27.052 -3.121 -7.591 1.00 0.00 H new ATOM 0 HD2 LYS A 19 28.911 -4.723 -8.100 1.00 0.00 H new ATOM 0 HD3 LYS A 19 28.798 -4.289 -9.795 1.00 0.00 H new ATOM 0 HE2 LYS A 19 30.645 -3.056 -8.863 1.00 0.00 H new ATOM 0 HE3 LYS A 19 29.362 -1.904 -9.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 30.550 -1.747 -6.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 28.853 -1.734 -6.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 29.704 -3.145 -6.516 1.00 0.00 H new ATOM 271 N LEU A 20 23.414 -6.539 -7.936 1.00 0.00 N ATOM 272 CA LEU A 20 22.516 -7.671 -8.359 1.00 0.00 C ATOM 273 C LEU A 20 23.187 -8.724 -9.293 1.00 0.00 C ATOM 274 O LEU A 20 22.925 -9.921 -9.150 1.00 0.00 O ATOM 275 CB LEU A 20 21.104 -7.294 -8.912 1.00 0.00 C ATOM 276 CG LEU A 20 20.199 -6.418 -8.012 1.00 0.00 C ATOM 277 CD1 LEU A 20 19.049 -5.826 -8.838 1.00 0.00 C ATOM 278 CD2 LEU A 20 19.606 -7.204 -6.833 1.00 0.00 C ATOM 0 H LEU A 20 23.815 -6.676 -7.008 1.00 0.00 H new ATOM 0 HA LEU A 20 22.338 -8.131 -7.387 1.00 0.00 H new ATOM 0 HB2 LEU A 20 21.241 -6.774 -9.860 1.00 0.00 H new ATOM 0 HB3 LEU A 20 20.569 -8.219 -9.130 1.00 0.00 H new ATOM 0 HG LEU A 20 20.830 -5.626 -7.609 1.00 0.00 H new ATOM 0 HD11 LEU A 20 18.418 -5.212 -8.196 1.00 0.00 H new ATOM 0 HD12 LEU A 20 19.456 -5.212 -9.641 1.00 0.00 H new ATOM 0 HD13 LEU A 20 18.454 -6.634 -9.265 1.00 0.00 H new ATOM 0 HD21 LEU A 20 18.980 -6.543 -6.234 1.00 0.00 H new ATOM 0 HD22 LEU A 20 19.004 -8.030 -7.212 1.00 0.00 H new ATOM 0 HD23 LEU A 20 20.413 -7.598 -6.215 1.00 0.00 H new ATOM 290 N ASP A 21 24.025 -8.297 -10.250 1.00 0.00 N ATOM 291 CA ASP A 21 24.432 -9.154 -11.409 1.00 0.00 C ATOM 292 C ASP A 21 25.668 -10.079 -11.127 1.00 0.00 C ATOM 293 O ASP A 21 26.634 -10.104 -11.896 1.00 0.00 O ATOM 294 CB ASP A 21 24.642 -8.223 -12.639 1.00 0.00 C ATOM 295 CG ASP A 21 23.401 -7.499 -13.167 1.00 0.00 C ATOM 296 OD1 ASP A 21 22.493 -8.357 -13.708 1.00 0.00 O ATOM 297 OD2 ASP A 21 23.243 -6.285 -13.114 1.00 0.00 O ATOM 0 H ASP A 21 24.442 -7.366 -10.257 1.00 0.00 H new ATOM 0 HA ASP A 21 23.633 -9.867 -11.610 1.00 0.00 H new ATOM 0 HB2 ASP A 21 25.388 -7.473 -12.376 1.00 0.00 H new ATOM 0 HB3 ASP A 21 25.061 -8.819 -13.450 1.00 0.00 H new ATOM 302 N GLY A 22 25.674 -10.818 -9.998 1.00 0.00 N ATOM 303 CA GLY A 22 26.906 -11.500 -9.496 1.00 0.00 C ATOM 304 C GLY A 22 28.090 -10.645 -8.951 1.00 0.00 C ATOM 305 O GLY A 22 28.931 -11.175 -8.223 1.00 0.00 O ATOM 0 H GLY A 22 24.851 -10.963 -9.414 1.00 0.00 H new ATOM 0 HA2 GLY A 22 26.601 -12.180 -8.701 1.00 0.00 H new ATOM 0 HA3 GLY A 22 27.294 -12.114 -10.309 1.00 0.00 H new ATOM 309 N ASN A 23 28.174 -9.352 -9.306 1.00 0.00 N ATOM 310 CA ASN A 23 29.255 -8.431 -8.866 1.00 0.00 C ATOM 311 C ASN A 23 28.929 -7.757 -7.490 1.00 0.00 C ATOM 312 O ASN A 23 27.777 -7.646 -7.057 1.00 0.00 O ATOM 313 CB ASN A 23 29.516 -7.339 -9.945 1.00 0.00 C ATOM 314 CG ASN A 23 29.606 -7.733 -11.423 1.00 0.00 C ATOM 315 OD1 ASN A 23 28.701 -7.484 -12.209 1.00 0.00 O ATOM 316 ND2 ASN A 23 30.677 -8.347 -11.855 1.00 0.00 N ATOM 0 H ASN A 23 27.488 -8.904 -9.914 1.00 0.00 H new ATOM 0 HA ASN A 23 30.155 -9.032 -8.736 1.00 0.00 H new ATOM 0 HB2 ASN A 23 28.723 -6.597 -9.854 1.00 0.00 H new ATOM 0 HB3 ASN A 23 30.450 -6.841 -9.684 1.00 0.00 H new ATOM 0 HD21 ASN A 23 30.751 -8.613 -12.837 1.00 0.00 H new ATOM 0 HD22 ASN A 23 31.438 -8.560 -11.210 1.00 0.00 H new ATOM 323 N ASP A 24 29.985 -7.300 -6.804 1.00 0.00 N ATOM 324 CA ASP A 24 29.907 -6.896 -5.370 1.00 0.00 C ATOM 325 C ASP A 24 30.506 -5.466 -5.199 1.00 0.00 C ATOM 326 O ASP A 24 29.758 -4.488 -5.278 1.00 0.00 O ATOM 327 CB ASP A 24 30.502 -8.032 -4.475 1.00 0.00 C ATOM 328 CG ASP A 24 29.700 -9.342 -4.445 1.00 0.00 C ATOM 329 OD1 ASP A 24 29.891 -10.098 -5.561 1.00 0.00 O ATOM 330 OD2 ASP A 24 28.949 -9.661 -3.530 1.00 0.00 O ATOM 0 H ASP A 24 30.914 -7.196 -7.211 1.00 0.00 H new ATOM 0 HA ASP A 24 28.880 -6.795 -5.019 1.00 0.00 H new ATOM 0 HB2 ASP A 24 31.511 -8.253 -4.822 1.00 0.00 H new ATOM 0 HB3 ASP A 24 30.591 -7.658 -3.455 1.00 0.00 H new ATOM 335 N GLY A 25 31.829 -5.313 -5.002 1.00 0.00 N ATOM 336 CA GLY A 25 32.473 -3.977 -4.866 1.00 0.00 C ATOM 337 C GLY A 25 32.374 -3.367 -3.453 1.00 0.00 C ATOM 338 O GLY A 25 33.074 -3.811 -2.540 1.00 0.00 O ATOM 0 H GLY A 25 32.480 -6.095 -4.932 1.00 0.00 H new ATOM 0 HA2 GLY A 25 33.525 -4.064 -5.139 1.00 0.00 H new ATOM 0 HA3 GLY A 25 32.014 -3.291 -5.578 1.00 0.00 H new ATOM 342 N VAL A 26 31.499 -2.363 -3.280 1.00 0.00 N ATOM 343 CA VAL A 26 31.183 -1.795 -1.927 1.00 0.00 C ATOM 344 C VAL A 26 30.075 -2.650 -1.229 1.00 0.00 C ATOM 345 O VAL A 26 30.336 -3.213 -0.166 1.00 0.00 O ATOM 346 CB VAL A 26 30.850 -0.259 -1.956 1.00 0.00 C ATOM 347 CG1 VAL A 26 30.648 0.343 -0.545 1.00 0.00 C ATOM 348 CG2 VAL A 26 31.912 0.619 -2.651 1.00 0.00 C ATOM 0 H VAL A 26 30.992 -1.919 -4.046 1.00 0.00 H new ATOM 0 HA VAL A 26 32.088 -1.861 -1.323 1.00 0.00 H new ATOM 0 HB VAL A 26 29.925 -0.236 -2.533 1.00 0.00 H new ATOM 0 HG11 VAL A 26 30.421 1.406 -0.632 1.00 0.00 H new ATOM 0 HG12 VAL A 26 29.822 -0.165 -0.048 1.00 0.00 H new ATOM 0 HG13 VAL A 26 31.559 0.213 0.040 1.00 0.00 H new ATOM 0 HG21 VAL A 26 31.597 1.662 -2.623 1.00 0.00 H new ATOM 0 HG22 VAL A 26 32.866 0.514 -2.134 1.00 0.00 H new ATOM 0 HG23 VAL A 26 32.024 0.302 -3.688 1.00 0.00 H new ATOM 358 N GLY A 27 28.857 -2.729 -1.796 1.00 0.00 N ATOM 359 CA GLY A 27 27.771 -3.571 -1.248 1.00 0.00 C ATOM 360 C GLY A 27 27.606 -4.917 -2.001 1.00 0.00 C ATOM 361 O GLY A 27 27.592 -4.901 -3.236 1.00 0.00 O ATOM 0 H GLY A 27 28.597 -2.217 -2.639 1.00 0.00 H new ATOM 0 HA2 GLY A 27 27.971 -3.772 -0.196 1.00 0.00 H new ATOM 0 HA3 GLY A 27 26.833 -3.018 -1.294 1.00 0.00 H new ATOM 365 N PRO A 28 27.422 -6.094 -1.340 1.00 0.00 N ATOM 366 CA PRO A 28 27.280 -7.391 -2.051 1.00 0.00 C ATOM 367 C PRO A 28 25.985 -7.574 -2.899 1.00 0.00 C ATOM 368 O PRO A 28 24.985 -6.877 -2.709 1.00 0.00 O ATOM 369 CB PRO A 28 27.404 -8.396 -0.893 1.00 0.00 C ATOM 370 CG PRO A 28 26.951 -7.653 0.361 1.00 0.00 C ATOM 371 CD PRO A 28 27.408 -6.220 0.128 1.00 0.00 C ATOM 0 HA PRO A 28 28.027 -7.508 -2.836 1.00 0.00 H new ATOM 0 HB2 PRO A 28 26.784 -9.275 -1.071 1.00 0.00 H new ATOM 0 HB3 PRO A 28 28.431 -8.746 -0.789 1.00 0.00 H new ATOM 0 HG2 PRO A 28 25.870 -7.711 0.490 1.00 0.00 H new ATOM 0 HG3 PRO A 28 27.402 -8.074 1.259 1.00 0.00 H new ATOM 0 HD2 PRO A 28 26.726 -5.503 0.585 1.00 0.00 H new ATOM 0 HD3 PRO A 28 28.394 -6.039 0.555 1.00 0.00 H new ATOM 379 N HIS A 29 25.995 -8.530 -3.843 1.00 0.00 N ATOM 380 CA HIS A 29 24.828 -8.784 -4.734 1.00 0.00 C ATOM 381 C HIS A 29 23.526 -9.227 -3.974 1.00 0.00 C ATOM 382 O HIS A 29 23.505 -10.236 -3.263 1.00 0.00 O ATOM 383 CB HIS A 29 25.224 -9.735 -5.897 1.00 0.00 C ATOM 384 CG HIS A 29 25.781 -11.127 -5.570 1.00 0.00 C ATOM 385 ND1 HIS A 29 27.118 -11.470 -5.717 1.00 0.00 N ATOM 386 CD2 HIS A 29 25.010 -12.263 -5.285 1.00 0.00 C ATOM 387 CE1 HIS A 29 27.018 -12.828 -5.550 1.00 0.00 C ATOM 388 NE2 HIS A 29 25.803 -13.396 -5.277 1.00 0.00 N ATOM 0 H HIS A 29 26.791 -9.143 -4.016 1.00 0.00 H new ATOM 0 HA HIS A 29 24.551 -7.826 -5.175 1.00 0.00 H new ATOM 0 HB2 HIS A 29 24.342 -9.873 -6.522 1.00 0.00 H new ATOM 0 HB3 HIS A 29 25.967 -9.219 -6.504 1.00 0.00 H new ATOM 0 HD1 HIS A 29 27.934 -10.885 -5.896 1.00 0.00 H new ATOM 0 HD2 HIS A 29 23.946 -12.254 -5.098 1.00 0.00 H new ATOM 0 HE1 HIS A 29 27.898 -13.449 -5.634 1.00 0.00 H new ATOM 396 N LEU A 30 22.441 -8.447 -4.123 1.00 0.00 N ATOM 397 CA LEU A 30 21.168 -8.662 -3.366 1.00 0.00 C ATOM 398 C LEU A 30 20.097 -9.538 -4.113 1.00 0.00 C ATOM 399 O LEU A 30 18.892 -9.395 -3.880 1.00 0.00 O ATOM 400 CB LEU A 30 20.595 -7.257 -2.998 1.00 0.00 C ATOM 401 CG LEU A 30 21.397 -6.322 -2.057 1.00 0.00 C ATOM 402 CD1 LEU A 30 20.566 -5.066 -1.747 1.00 0.00 C ATOM 403 CD2 LEU A 30 21.834 -6.963 -0.729 1.00 0.00 C ATOM 0 H LEU A 30 22.408 -7.653 -4.763 1.00 0.00 H new ATOM 0 HA LEU A 30 21.404 -9.244 -2.475 1.00 0.00 H new ATOM 0 HB2 LEU A 30 20.432 -6.718 -3.931 1.00 0.00 H new ATOM 0 HB3 LEU A 30 19.616 -7.413 -2.545 1.00 0.00 H new ATOM 0 HG LEU A 30 22.312 -6.082 -2.599 1.00 0.00 H new ATOM 0 HD11 LEU A 30 21.131 -4.410 -1.085 1.00 0.00 H new ATOM 0 HD12 LEU A 30 20.342 -4.540 -2.675 1.00 0.00 H new ATOM 0 HD13 LEU A 30 19.635 -5.357 -1.261 1.00 0.00 H new ATOM 0 HD21 LEU A 30 22.388 -6.234 -0.138 1.00 0.00 H new ATOM 0 HD22 LEU A 30 20.953 -7.286 -0.174 1.00 0.00 H new ATOM 0 HD23 LEU A 30 22.471 -7.824 -0.933 1.00 0.00 H new ATOM 415 N ASN A 31 20.535 -10.453 -4.998 1.00 0.00 N ATOM 416 CA ASN A 31 19.640 -11.197 -5.930 1.00 0.00 C ATOM 417 C ASN A 31 18.761 -12.293 -5.237 1.00 0.00 C ATOM 418 O ASN A 31 19.151 -13.452 -5.090 1.00 0.00 O ATOM 419 CB ASN A 31 20.455 -11.686 -7.163 1.00 0.00 C ATOM 420 CG ASN A 31 21.668 -12.620 -6.969 1.00 0.00 C ATOM 421 OD1 ASN A 31 21.871 -13.280 -5.952 1.00 0.00 O ATOM 422 ND2 ASN A 31 22.533 -12.695 -7.953 1.00 0.00 N ATOM 0 H ASN A 31 21.519 -10.704 -5.094 1.00 0.00 H new ATOM 0 HA ASN A 31 18.884 -10.505 -6.300 1.00 0.00 H new ATOM 0 HB2 ASN A 31 19.759 -12.194 -7.830 1.00 0.00 H new ATOM 0 HB3 ASN A 31 20.810 -10.799 -7.688 1.00 0.00 H new ATOM 0 HD21 ASN A 31 23.355 -13.293 -7.865 1.00 0.00 H new ATOM 0 HD22 ASN A 31 22.383 -12.156 -8.806 1.00 0.00 H new ATOM 429 N GLY A 32 17.584 -11.887 -4.738 1.00 0.00 N ATOM 430 CA GLY A 32 16.861 -12.657 -3.694 1.00 0.00 C ATOM 431 C GLY A 32 17.466 -12.547 -2.276 1.00 0.00 C ATOM 432 O GLY A 32 17.784 -13.560 -1.654 1.00 0.00 O ATOM 0 H GLY A 32 17.108 -11.035 -5.034 1.00 0.00 H new ATOM 0 HA2 GLY A 32 15.827 -12.315 -3.661 1.00 0.00 H new ATOM 0 HA3 GLY A 32 16.840 -13.707 -3.985 1.00 0.00 H new ATOM 436 N VAL A 33 17.626 -11.319 -1.762 1.00 0.00 N ATOM 437 CA VAL A 33 17.879 -11.070 -0.303 1.00 0.00 C ATOM 438 C VAL A 33 16.613 -11.175 0.630 1.00 0.00 C ATOM 439 O VAL A 33 16.759 -11.502 1.812 1.00 0.00 O ATOM 440 CB VAL A 33 18.719 -9.765 -0.104 1.00 0.00 C ATOM 441 CG1 VAL A 33 17.950 -8.452 -0.357 1.00 0.00 C ATOM 442 CG2 VAL A 33 19.365 -9.689 1.296 1.00 0.00 C ATOM 0 H VAL A 33 17.587 -10.468 -2.324 1.00 0.00 H new ATOM 0 HA VAL A 33 18.484 -11.906 0.048 1.00 0.00 H new ATOM 0 HB VAL A 33 19.488 -9.848 -0.872 1.00 0.00 H new ATOM 0 HG11 VAL A 33 18.615 -7.604 -0.194 1.00 0.00 H new ATOM 0 HG12 VAL A 33 17.586 -8.436 -1.384 1.00 0.00 H new ATOM 0 HG13 VAL A 33 17.105 -8.387 0.328 1.00 0.00 H new ATOM 0 HG21 VAL A 33 19.937 -8.765 1.383 1.00 0.00 H new ATOM 0 HG22 VAL A 33 18.586 -9.707 2.058 1.00 0.00 H new ATOM 0 HG23 VAL A 33 20.030 -10.541 1.437 1.00 0.00 H new ATOM 452 N VAL A 34 15.391 -10.924 0.117 1.00 0.00 N ATOM 453 CA VAL A 34 14.113 -11.128 0.866 1.00 0.00 C ATOM 454 C VAL A 34 13.858 -12.670 1.013 1.00 0.00 C ATOM 455 O VAL A 34 13.501 -13.348 0.044 1.00 0.00 O ATOM 456 CB VAL A 34 12.929 -10.387 0.148 1.00 0.00 C ATOM 457 CG1 VAL A 34 11.612 -10.470 0.955 1.00 0.00 C ATOM 458 CG2 VAL A 34 13.164 -8.889 -0.168 1.00 0.00 C ATOM 0 H VAL A 34 15.252 -10.573 -0.830 1.00 0.00 H new ATOM 0 HA VAL A 34 14.184 -10.696 1.864 1.00 0.00 H new ATOM 0 HB VAL A 34 12.863 -10.926 -0.797 1.00 0.00 H new ATOM 0 HG11 VAL A 34 10.823 -9.943 0.419 1.00 0.00 H new ATOM 0 HG12 VAL A 34 11.329 -11.515 1.083 1.00 0.00 H new ATOM 0 HG13 VAL A 34 11.755 -10.010 1.933 1.00 0.00 H new ATOM 0 HG21 VAL A 34 12.283 -8.479 -0.663 1.00 0.00 H new ATOM 0 HG22 VAL A 34 13.345 -8.346 0.759 1.00 0.00 H new ATOM 0 HG23 VAL A 34 14.029 -8.787 -0.823 1.00 0.00 H new ATOM 468 N GLY A 35 14.110 -13.216 2.212 1.00 0.00 N ATOM 469 CA GLY A 35 14.277 -14.691 2.397 1.00 0.00 C ATOM 470 C GLY A 35 15.700 -15.302 2.242 1.00 0.00 C ATOM 471 O GLY A 35 15.823 -16.475 1.886 1.00 0.00 O ATOM 0 H GLY A 35 14.205 -12.674 3.071 1.00 0.00 H new ATOM 0 HA2 GLY A 35 13.915 -14.943 3.394 1.00 0.00 H new ATOM 0 HA3 GLY A 35 13.622 -15.191 1.684 1.00 0.00 H new ATOM 475 N ARG A 36 16.759 -14.542 2.560 1.00 0.00 N ATOM 476 CA ARG A 36 18.165 -15.035 2.646 1.00 0.00 C ATOM 477 C ARG A 36 18.697 -14.868 4.107 1.00 0.00 C ATOM 478 O ARG A 36 18.289 -13.942 4.815 1.00 0.00 O ATOM 479 CB ARG A 36 18.959 -14.153 1.641 1.00 0.00 C ATOM 480 CG ARG A 36 20.463 -14.459 1.416 1.00 0.00 C ATOM 481 CD ARG A 36 21.193 -13.365 0.606 1.00 0.00 C ATOM 482 NE ARG A 36 20.829 -13.353 -0.838 1.00 0.00 N ATOM 483 CZ ARG A 36 21.554 -13.860 -1.837 1.00 0.00 C ATOM 484 NH1 ARG A 36 22.705 -14.464 -1.686 1.00 0.00 N ATOM 485 NH2 ARG A 36 21.093 -13.753 -3.044 1.00 0.00 N ATOM 0 H ARG A 36 16.673 -13.548 2.771 1.00 0.00 H new ATOM 0 HA ARG A 36 18.261 -16.093 2.403 1.00 0.00 H new ATOM 0 HB2 ARG A 36 18.459 -14.219 0.675 1.00 0.00 H new ATOM 0 HB3 ARG A 36 18.877 -13.118 1.972 1.00 0.00 H new ATOM 0 HG2 ARG A 36 20.952 -14.573 2.383 1.00 0.00 H new ATOM 0 HG3 ARG A 36 20.559 -15.412 0.896 1.00 0.00 H new ATOM 0 HD2 ARG A 36 20.965 -12.391 1.038 1.00 0.00 H new ATOM 0 HD3 ARG A 36 22.269 -13.511 0.700 1.00 0.00 H new ATOM 0 HE ARG A 36 19.942 -12.916 -1.087 1.00 0.00 H new ATOM 0 HH11 ARG A 36 23.106 -14.573 -0.754 1.00 0.00 H new ATOM 0 HH12 ARG A 36 23.202 -14.826 -2.500 1.00 0.00 H new ATOM 0 HH21 ARG A 36 20.199 -13.291 -3.209 1.00 0.00 H new ATOM 0 HH22 ARG A 36 21.625 -14.131 -3.828 1.00 0.00 H new ATOM 499 N THR A 37 19.683 -15.679 4.552 1.00 0.00 N ATOM 500 CA THR A 37 20.436 -15.388 5.817 1.00 0.00 C ATOM 501 C THR A 37 21.126 -13.977 5.837 1.00 0.00 C ATOM 502 O THR A 37 21.571 -13.451 4.808 1.00 0.00 O ATOM 503 CB THR A 37 21.436 -16.524 6.196 1.00 0.00 C ATOM 504 OG1 THR A 37 21.837 -16.384 7.551 1.00 0.00 O ATOM 505 CG2 THR A 37 22.748 -16.518 5.408 1.00 0.00 C ATOM 0 H THR A 37 19.980 -16.528 4.072 1.00 0.00 H new ATOM 0 HA THR A 37 19.671 -15.357 6.593 1.00 0.00 H new ATOM 0 HB THR A 37 20.886 -17.440 5.979 1.00 0.00 H new ATOM 0 HG1 THR A 37 22.463 -17.101 7.783 1.00 0.00 H new ATOM 0 HG21 THR A 37 23.377 -17.343 5.742 1.00 0.00 H new ATOM 0 HG22 THR A 37 22.535 -16.631 4.345 1.00 0.00 H new ATOM 0 HG23 THR A 37 23.268 -15.575 5.575 1.00 0.00 H new ATOM 513 N VAL A 38 21.312 -13.432 7.043 1.00 0.00 N ATOM 514 CA VAL A 38 22.209 -12.268 7.272 1.00 0.00 C ATOM 515 C VAL A 38 23.706 -12.727 7.195 1.00 0.00 C ATOM 516 O VAL A 38 24.072 -13.806 7.678 1.00 0.00 O ATOM 517 CB VAL A 38 21.831 -11.534 8.605 1.00 0.00 C ATOM 518 CG1 VAL A 38 22.623 -10.218 8.805 1.00 0.00 C ATOM 519 CG2 VAL A 38 20.320 -11.237 8.752 1.00 0.00 C ATOM 0 H VAL A 38 20.855 -13.773 7.889 1.00 0.00 H new ATOM 0 HA VAL A 38 22.074 -11.528 6.483 1.00 0.00 H new ATOM 0 HB VAL A 38 22.110 -12.246 9.382 1.00 0.00 H new ATOM 0 HG11 VAL A 38 22.322 -9.751 9.743 1.00 0.00 H new ATOM 0 HG12 VAL A 38 23.690 -10.437 8.835 1.00 0.00 H new ATOM 0 HG13 VAL A 38 22.415 -9.539 7.978 1.00 0.00 H new ATOM 0 HG21 VAL A 38 20.140 -10.728 9.699 1.00 0.00 H new ATOM 0 HG22 VAL A 38 19.993 -10.600 7.930 1.00 0.00 H new ATOM 0 HG23 VAL A 38 19.761 -12.173 8.731 1.00 0.00 H new ATOM 529 N ALA A 39 24.530 -11.931 6.486 1.00 0.00 N ATOM 530 CA ALA A 39 25.847 -12.373 5.938 1.00 0.00 C ATOM 531 C ALA A 39 25.842 -13.441 4.780 1.00 0.00 C ATOM 532 O ALA A 39 26.865 -14.086 4.526 1.00 0.00 O ATOM 533 CB ALA A 39 26.860 -12.662 7.071 1.00 0.00 C ATOM 0 H ALA A 39 24.309 -10.959 6.271 1.00 0.00 H new ATOM 0 HA ALA A 39 26.199 -11.504 5.382 1.00 0.00 H new ATOM 0 HB1 ALA A 39 27.808 -12.981 6.639 1.00 0.00 H new ATOM 0 HB2 ALA A 39 27.016 -11.758 7.659 1.00 0.00 H new ATOM 0 HB3 ALA A 39 26.471 -13.451 7.715 1.00 0.00 H new ATOM 581 N PHE A 44 31.964 -11.947 -0.615 1.00 0.00 N ATOM 582 CA PHE A 44 32.101 -10.730 0.227 1.00 0.00 C ATOM 583 C PHE A 44 32.362 -11.087 1.729 1.00 0.00 C ATOM 584 O PHE A 44 31.606 -11.852 2.338 1.00 0.00 O ATOM 585 CB PHE A 44 30.805 -9.895 0.028 1.00 0.00 C ATOM 586 CG PHE A 44 30.881 -8.464 0.588 1.00 0.00 C ATOM 587 CD1 PHE A 44 30.507 -8.199 1.910 1.00 0.00 C ATOM 588 CD2 PHE A 44 31.366 -7.423 -0.210 1.00 0.00 C ATOM 589 CE1 PHE A 44 30.646 -6.918 2.435 1.00 0.00 C ATOM 590 CE2 PHE A 44 31.497 -6.140 0.315 1.00 0.00 C ATOM 591 CZ PHE A 44 31.142 -5.889 1.638 1.00 0.00 C ATOM 0 HA PHE A 44 32.970 -10.146 -0.076 1.00 0.00 H new ATOM 0 HB2 PHE A 44 30.580 -9.844 -1.037 1.00 0.00 H new ATOM 0 HB3 PHE A 44 29.975 -10.416 0.505 1.00 0.00 H new ATOM 0 HD1 PHE A 44 30.109 -8.992 2.525 1.00 0.00 H new ATOM 0 HD2 PHE A 44 31.640 -7.615 -1.237 1.00 0.00 H new ATOM 0 HE1 PHE A 44 30.369 -6.722 3.460 1.00 0.00 H new ATOM 0 HE2 PHE A 44 31.874 -5.339 -0.304 1.00 0.00 H new ATOM 0 HZ PHE A 44 31.251 -4.895 2.047 1.00 0.00 H new ATOM 601 N ASN A 45 33.401 -10.484 2.339 1.00 0.00 N ATOM 602 CA ASN A 45 33.645 -10.605 3.802 1.00 0.00 C ATOM 603 C ASN A 45 32.836 -9.524 4.592 1.00 0.00 C ATOM 604 O ASN A 45 33.052 -8.316 4.440 1.00 0.00 O ATOM 605 CB ASN A 45 35.172 -10.532 4.064 1.00 0.00 C ATOM 606 CG ASN A 45 35.565 -10.954 5.486 1.00 0.00 C ATOM 607 OD1 ASN A 45 35.481 -12.121 5.855 1.00 0.00 O ATOM 608 ND2 ASN A 45 35.963 -10.037 6.334 1.00 0.00 N ATOM 0 H ASN A 45 34.086 -9.909 1.849 1.00 0.00 H new ATOM 0 HA ASN A 45 33.288 -11.569 4.166 1.00 0.00 H new ATOM 0 HB2 ASN A 45 35.687 -11.171 3.347 1.00 0.00 H new ATOM 0 HB3 ASN A 45 35.516 -9.513 3.887 1.00 0.00 H new ATOM 0 HD21 ASN A 45 36.200 -10.296 7.292 1.00 0.00 H new ATOM 0 HD22 ASN A 45 36.036 -9.064 6.036 1.00 0.00 H new ATOM 615 N TYR A 46 31.916 -9.981 5.451 1.00 0.00 N ATOM 616 CA TYR A 46 31.023 -9.091 6.246 1.00 0.00 C ATOM 617 C TYR A 46 31.673 -8.621 7.601 1.00 0.00 C ATOM 618 O TYR A 46 32.842 -8.912 7.883 1.00 0.00 O ATOM 619 CB TYR A 46 29.672 -9.859 6.397 1.00 0.00 C ATOM 620 CG TYR A 46 28.795 -9.978 5.129 1.00 0.00 C ATOM 621 CD1 TYR A 46 28.958 -11.051 4.244 1.00 0.00 C ATOM 622 CD2 TYR A 46 27.773 -9.053 4.890 1.00 0.00 C ATOM 623 CE1 TYR A 46 28.100 -11.206 3.157 1.00 0.00 C ATOM 624 CE2 TYR A 46 26.907 -9.216 3.816 1.00 0.00 C ATOM 625 CZ TYR A 46 27.056 -10.303 2.963 1.00 0.00 C ATOM 626 OH TYR A 46 26.128 -10.506 1.980 1.00 0.00 O ATOM 0 H TYR A 46 31.760 -10.974 5.623 1.00 0.00 H new ATOM 0 HA TYR A 46 30.847 -8.143 5.738 1.00 0.00 H new ATOM 0 HB2 TYR A 46 29.891 -10.865 6.755 1.00 0.00 H new ATOM 0 HB3 TYR A 46 29.085 -9.366 7.172 1.00 0.00 H new ATOM 0 HD1 TYR A 46 29.754 -11.763 4.405 1.00 0.00 H new ATOM 0 HD2 TYR A 46 27.656 -8.204 5.547 1.00 0.00 H new ATOM 0 HE1 TYR A 46 28.244 -12.024 2.466 1.00 0.00 H new ATOM 0 HE2 TYR A 46 26.118 -8.498 3.644 1.00 0.00 H new ATOM 0 HH TYR A 46 25.474 -9.776 1.992 1.00 0.00 H new ATOM 636 N SER A 47 30.957 -7.844 8.442 1.00 0.00 N ATOM 637 CA SER A 47 31.446 -7.484 9.806 1.00 0.00 C ATOM 638 C SER A 47 31.215 -8.613 10.870 1.00 0.00 C ATOM 639 O SER A 47 30.398 -9.520 10.680 1.00 0.00 O ATOM 640 CB SER A 47 30.835 -6.115 10.204 1.00 0.00 C ATOM 641 OG SER A 47 29.481 -6.199 10.646 1.00 0.00 O ATOM 0 H SER A 47 30.044 -7.453 8.210 1.00 0.00 H new ATOM 0 HA SER A 47 32.531 -7.386 9.779 1.00 0.00 H new ATOM 0 HB2 SER A 47 31.440 -5.673 10.996 1.00 0.00 H new ATOM 0 HB3 SER A 47 30.888 -5.441 9.349 1.00 0.00 H new ATOM 0 HG SER A 47 29.355 -5.618 11.425 1.00 0.00 H new ATOM 647 N ASP A 48 31.915 -8.547 12.018 1.00 0.00 N ATOM 648 CA ASP A 48 31.732 -9.525 13.138 1.00 0.00 C ATOM 649 C ASP A 48 30.275 -9.612 13.738 1.00 0.00 C ATOM 650 O ASP A 48 29.770 -10.740 13.780 1.00 0.00 O ATOM 651 CB ASP A 48 32.808 -9.303 14.235 1.00 0.00 C ATOM 652 CG ASP A 48 34.253 -9.547 13.799 1.00 0.00 C ATOM 653 OD1 ASP A 48 34.567 -10.871 13.755 1.00 0.00 O ATOM 654 OD2 ASP A 48 35.038 -8.649 13.514 1.00 0.00 O ATOM 0 H ASP A 48 32.616 -7.831 12.207 1.00 0.00 H new ATOM 0 HA ASP A 48 31.875 -10.507 12.688 1.00 0.00 H new ATOM 0 HB2 ASP A 48 32.725 -8.279 14.599 1.00 0.00 H new ATOM 0 HB3 ASP A 48 32.585 -9.959 15.076 1.00 0.00 H new ATOM 659 N PRO A 49 29.535 -8.534 14.155 1.00 0.00 N ATOM 660 CA PRO A 49 28.085 -8.641 14.498 1.00 0.00 C ATOM 661 C PRO A 49 27.095 -8.956 13.320 1.00 0.00 C ATOM 662 O PRO A 49 26.034 -9.537 13.559 1.00 0.00 O ATOM 663 CB PRO A 49 27.832 -7.294 15.199 1.00 0.00 C ATOM 664 CG PRO A 49 28.794 -6.317 14.527 1.00 0.00 C ATOM 665 CD PRO A 49 30.022 -7.139 14.149 1.00 0.00 C ATOM 0 HA PRO A 49 27.878 -9.517 15.113 1.00 0.00 H new ATOM 0 HB2 PRO A 49 26.797 -6.975 15.080 1.00 0.00 H new ATOM 0 HB3 PRO A 49 28.023 -7.363 16.270 1.00 0.00 H new ATOM 0 HG2 PRO A 49 28.340 -5.864 13.646 1.00 0.00 H new ATOM 0 HG3 PRO A 49 29.060 -5.503 15.202 1.00 0.00 H new ATOM 0 HD2 PRO A 49 30.406 -6.855 13.169 1.00 0.00 H new ATOM 0 HD3 PRO A 49 30.833 -6.996 14.863 1.00 0.00 H new ATOM 673 N MET A 50 27.449 -8.631 12.061 1.00 0.00 N ATOM 674 CA MET A 50 26.748 -9.144 10.852 1.00 0.00 C ATOM 675 C MET A 50 26.852 -10.693 10.632 1.00 0.00 C ATOM 676 O MET A 50 25.820 -11.354 10.482 1.00 0.00 O ATOM 677 CB MET A 50 27.294 -8.310 9.666 1.00 0.00 C ATOM 678 CG MET A 50 26.551 -8.488 8.341 1.00 0.00 C ATOM 679 SD MET A 50 24.837 -7.992 8.539 1.00 0.00 S ATOM 680 CE MET A 50 24.650 -6.892 7.139 1.00 0.00 C ATOM 0 H MET A 50 28.227 -8.007 11.846 1.00 0.00 H new ATOM 0 HA MET A 50 25.671 -9.017 10.965 1.00 0.00 H new ATOM 0 HB2 MET A 50 27.264 -7.256 9.941 1.00 0.00 H new ATOM 0 HB3 MET A 50 28.342 -8.570 9.513 1.00 0.00 H new ATOM 0 HG2 MET A 50 27.026 -7.890 7.563 1.00 0.00 H new ATOM 0 HG3 MET A 50 26.604 -9.528 8.020 1.00 0.00 H new ATOM 0 HE1 MET A 50 23.603 -6.862 6.837 1.00 0.00 H new ATOM 0 HE2 MET A 50 24.976 -5.890 7.418 1.00 0.00 H new ATOM 0 HE3 MET A 50 25.257 -7.253 6.309 1.00 0.00 H new ATOM 690 N LYS A 51 28.070 -11.272 10.655 1.00 0.00 N ATOM 691 CA LYS A 51 28.276 -12.751 10.698 1.00 0.00 C ATOM 692 C LYS A 51 27.645 -13.474 11.940 1.00 0.00 C ATOM 693 O LYS A 51 27.025 -14.527 11.771 1.00 0.00 O ATOM 694 CB LYS A 51 29.795 -13.067 10.583 1.00 0.00 C ATOM 695 CG LYS A 51 30.500 -12.665 9.262 1.00 0.00 C ATOM 696 CD LYS A 51 31.993 -13.057 9.264 1.00 0.00 C ATOM 697 CE LYS A 51 32.825 -12.504 8.093 1.00 0.00 C ATOM 698 NZ LYS A 51 32.520 -13.148 6.799 1.00 0.00 N ATOM 0 H LYS A 51 28.940 -10.739 10.645 1.00 0.00 H new ATOM 0 HA LYS A 51 27.734 -13.156 9.843 1.00 0.00 H new ATOM 0 HB2 LYS A 51 30.308 -12.569 11.406 1.00 0.00 H new ATOM 0 HB3 LYS A 51 29.930 -14.139 10.726 1.00 0.00 H new ATOM 0 HG2 LYS A 51 29.999 -13.147 8.422 1.00 0.00 H new ATOM 0 HG3 LYS A 51 30.407 -11.589 9.114 1.00 0.00 H new ATOM 0 HD2 LYS A 51 32.439 -12.714 10.198 1.00 0.00 H new ATOM 0 HD3 LYS A 51 32.065 -14.145 9.256 1.00 0.00 H new ATOM 0 HE2 LYS A 51 32.649 -11.432 8.007 1.00 0.00 H new ATOM 0 HE3 LYS A 51 33.884 -12.636 8.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 33.270 -12.924 6.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 32.466 -14.179 6.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 31.609 -12.796 6.442 1.00 0.00 H new ATOM 711 N ALA A 52 27.756 -12.907 13.160 1.00 0.00 N ATOM 712 CA ALA A 52 27.023 -13.405 14.358 1.00 0.00 C ATOM 713 C ALA A 52 25.456 -13.299 14.380 1.00 0.00 C ATOM 714 O ALA A 52 24.834 -14.017 15.167 1.00 0.00 O ATOM 715 CB ALA A 52 27.649 -12.693 15.570 1.00 0.00 C ATOM 0 H ALA A 52 28.349 -12.098 13.348 1.00 0.00 H new ATOM 0 HA ALA A 52 27.147 -14.488 14.361 1.00 0.00 H new ATOM 0 HB1 ALA A 52 27.150 -13.020 16.482 1.00 0.00 H new ATOM 0 HB2 ALA A 52 28.709 -12.939 15.629 1.00 0.00 H new ATOM 0 HB3 ALA A 52 27.532 -11.615 15.459 1.00 0.00 H new ATOM 721 N HIS A 53 24.808 -12.469 13.533 1.00 0.00 N ATOM 722 CA HIS A 53 23.326 -12.495 13.338 1.00 0.00 C ATOM 723 C HIS A 53 22.815 -13.838 12.707 1.00 0.00 C ATOM 724 O HIS A 53 22.027 -14.541 13.346 1.00 0.00 O ATOM 725 CB HIS A 53 22.908 -11.206 12.565 1.00 0.00 C ATOM 726 CG HIS A 53 21.409 -10.846 12.528 1.00 0.00 C ATOM 727 ND1 HIS A 53 20.372 -11.719 12.207 1.00 0.00 N ATOM 728 CD2 HIS A 53 20.902 -9.542 12.688 1.00 0.00 C ATOM 729 CE1 HIS A 53 19.316 -10.841 12.220 1.00 0.00 C ATOM 730 NE2 HIS A 53 19.534 -9.519 12.492 1.00 0.00 N ATOM 0 H HIS A 53 25.284 -11.766 12.967 1.00 0.00 H new ATOM 0 HA HIS A 53 22.824 -12.480 14.306 1.00 0.00 H new ATOM 0 HB2 HIS A 53 23.444 -10.364 13.003 1.00 0.00 H new ATOM 0 HB3 HIS A 53 23.255 -11.305 11.536 1.00 0.00 H new ATOM 0 HD2 HIS A 53 21.501 -8.677 12.931 1.00 0.00 H new ATOM 0 HE1 HIS A 53 18.316 -11.194 12.016 1.00 0.00 H new ATOM 0 HE2 HIS A 53 18.877 -8.740 12.537 1.00 0.00 H new ATOM 738 N GLY A 54 23.237 -14.188 11.473 1.00 0.00 N ATOM 739 CA GLY A 54 22.718 -15.387 10.760 1.00 0.00 C ATOM 740 C GLY A 54 21.220 -15.291 10.388 1.00 0.00 C ATOM 741 O GLY A 54 20.810 -14.344 9.719 1.00 0.00 O ATOM 0 H GLY A 54 23.934 -13.662 10.946 1.00 0.00 H new ATOM 0 HA2 GLY A 54 23.300 -15.538 9.851 1.00 0.00 H new ATOM 0 HA3 GLY A 54 22.872 -16.266 11.386 1.00 0.00 H new ATOM 745 N GLY A 55 20.397 -16.253 10.828 1.00 0.00 N ATOM 746 CA GLY A 55 18.916 -16.085 10.858 1.00 0.00 C ATOM 747 C GLY A 55 18.230 -15.830 9.500 1.00 0.00 C ATOM 748 O GLY A 55 18.227 -16.713 8.638 1.00 0.00 O ATOM 0 H GLY A 55 20.720 -17.158 11.170 1.00 0.00 H new ATOM 0 HA2 GLY A 55 18.479 -16.981 11.299 1.00 0.00 H new ATOM 0 HA3 GLY A 55 18.679 -15.254 11.522 1.00 0.00 H new ATOM 752 N ASP A 56 17.658 -14.626 9.293 1.00 0.00 N ATOM 753 CA ASP A 56 17.138 -14.216 7.959 1.00 0.00 C ATOM 754 C ASP A 56 16.840 -12.696 7.794 1.00 0.00 C ATOM 755 O ASP A 56 16.404 -11.998 8.715 1.00 0.00 O ATOM 756 CB ASP A 56 15.876 -15.054 7.571 1.00 0.00 C ATOM 757 CG ASP A 56 16.024 -15.930 6.332 1.00 0.00 C ATOM 758 OD1 ASP A 56 17.000 -16.877 6.466 1.00 0.00 O ATOM 759 OD2 ASP A 56 15.323 -15.792 5.337 1.00 0.00 O ATOM 0 H ASP A 56 17.542 -13.922 10.021 1.00 0.00 H new ATOM 0 HA ASP A 56 17.959 -14.424 7.274 1.00 0.00 H new ATOM 0 HB2 ASP A 56 15.611 -15.691 8.415 1.00 0.00 H new ATOM 0 HB3 ASP A 56 15.042 -14.370 7.413 1.00 0.00 H new ATOM 764 N TRP A 57 16.953 -12.245 6.534 1.00 0.00 N ATOM 765 CA TRP A 57 16.326 -10.990 6.054 1.00 0.00 C ATOM 766 C TRP A 57 14.885 -11.240 5.508 1.00 0.00 C ATOM 767 O TRP A 57 14.655 -11.382 4.304 1.00 0.00 O ATOM 768 CB TRP A 57 17.257 -10.300 5.014 1.00 0.00 C ATOM 769 CG TRP A 57 18.470 -9.532 5.566 1.00 0.00 C ATOM 770 CD1 TRP A 57 19.796 -9.717 5.121 1.00 0.00 C ATOM 771 CD2 TRP A 57 18.555 -8.638 6.630 1.00 0.00 C ATOM 772 NE1 TRP A 57 20.710 -8.967 5.887 1.00 0.00 N ATOM 773 CE2 TRP A 57 19.926 -8.351 6.843 1.00 0.00 C ATOM 774 CE3 TRP A 57 17.577 -8.148 7.540 1.00 0.00 C ATOM 775 CZ2 TRP A 57 20.334 -7.688 8.021 1.00 0.00 C ATOM 776 CZ3 TRP A 57 18.004 -7.488 8.688 1.00 0.00 C ATOM 777 CH2 TRP A 57 19.364 -7.282 8.936 1.00 0.00 C ATOM 0 H TRP A 57 17.482 -12.737 5.814 1.00 0.00 H new ATOM 0 HA TRP A 57 16.208 -10.307 6.895 1.00 0.00 H new ATOM 0 HB2 TRP A 57 17.623 -11.063 4.327 1.00 0.00 H new ATOM 0 HB3 TRP A 57 16.655 -9.606 4.428 1.00 0.00 H new ATOM 0 HD1 TRP A 57 20.076 -10.355 4.295 1.00 0.00 H new ATOM 0 HE1 TRP A 57 21.720 -8.895 5.764 1.00 0.00 H new ATOM 0 HE3 TRP A 57 16.524 -8.286 7.343 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 21.380 -7.499 8.210 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 17.274 -7.129 9.398 1.00 0.00 H new ATOM 0 HH2 TRP A 57 19.669 -6.800 9.853 1.00 0.00 H new ATOM 788 N THR A 58 13.905 -11.246 6.425 1.00 0.00 N ATOM 789 CA THR A 58 12.453 -11.346 6.085 1.00 0.00 C ATOM 790 C THR A 58 11.861 -9.970 5.564 1.00 0.00 C ATOM 791 O THR A 58 12.453 -8.923 5.873 1.00 0.00 O ATOM 792 CB THR A 58 11.743 -11.996 7.333 1.00 0.00 C ATOM 793 OG1 THR A 58 10.795 -12.958 6.899 1.00 0.00 O ATOM 794 CG2 THR A 58 11.009 -11.085 8.329 1.00 0.00 C ATOM 0 H THR A 58 14.084 -11.182 7.427 1.00 0.00 H new ATOM 0 HA THR A 58 12.270 -11.994 5.228 1.00 0.00 H new ATOM 0 HB THR A 58 12.594 -12.397 7.883 1.00 0.00 H new ATOM 0 HG1 THR A 58 10.357 -13.361 7.678 1.00 0.00 H new ATOM 0 HG21 THR A 58 10.578 -11.690 9.126 1.00 0.00 H new ATOM 0 HG22 THR A 58 11.713 -10.371 8.756 1.00 0.00 H new ATOM 0 HG23 THR A 58 10.215 -10.546 7.812 1.00 0.00 H new ATOM 802 N PRO A 59 10.688 -9.863 4.858 1.00 0.00 N ATOM 803 CA PRO A 59 10.065 -8.537 4.497 1.00 0.00 C ATOM 804 C PRO A 59 9.508 -7.596 5.644 1.00 0.00 C ATOM 805 O PRO A 59 8.702 -6.692 5.408 1.00 0.00 O ATOM 806 CB PRO A 59 8.983 -8.996 3.495 1.00 0.00 C ATOM 807 CG PRO A 59 8.586 -10.405 3.926 1.00 0.00 C ATOM 808 CD PRO A 59 9.896 -11.026 4.404 1.00 0.00 C ATOM 0 HA PRO A 59 10.822 -7.847 4.125 1.00 0.00 H new ATOM 0 HB2 PRO A 59 8.124 -8.325 3.513 1.00 0.00 H new ATOM 0 HB3 PRO A 59 9.368 -8.993 2.475 1.00 0.00 H new ATOM 0 HG2 PRO A 59 7.840 -10.384 4.721 1.00 0.00 H new ATOM 0 HG3 PRO A 59 8.155 -10.969 3.099 1.00 0.00 H new ATOM 0 HD2 PRO A 59 9.730 -11.738 5.212 1.00 0.00 H new ATOM 0 HD3 PRO A 59 10.400 -11.566 3.602 1.00 0.00 H new ATOM 816 N GLU A 60 10.017 -7.795 6.864 1.00 0.00 N ATOM 817 CA GLU A 60 9.764 -6.980 8.081 1.00 0.00 C ATOM 818 C GLU A 60 11.128 -6.640 8.782 1.00 0.00 C ATOM 819 O GLU A 60 11.365 -5.467 9.079 1.00 0.00 O ATOM 820 CB GLU A 60 8.749 -7.753 8.972 1.00 0.00 C ATOM 821 CG GLU A 60 8.166 -6.992 10.189 1.00 0.00 C ATOM 822 CD GLU A 60 9.114 -6.817 11.378 1.00 0.00 C ATOM 823 OE1 GLU A 60 9.556 -7.750 12.042 1.00 0.00 O ATOM 824 OE2 GLU A 60 9.425 -5.511 11.602 1.00 0.00 O ATOM 0 H GLU A 60 10.654 -8.570 7.051 1.00 0.00 H new ATOM 0 HA GLU A 60 9.314 -6.015 7.848 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.919 -8.073 8.342 1.00 0.00 H new ATOM 0 HB3 GLU A 60 9.238 -8.656 9.338 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.843 -6.005 9.857 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.276 -7.520 10.532 1.00 0.00 H new ATOM 831 N ALA A 61 12.052 -7.613 9.000 1.00 0.00 N ATOM 832 CA ALA A 61 13.460 -7.327 9.400 1.00 0.00 C ATOM 833 C ALA A 61 14.259 -6.361 8.460 1.00 0.00 C ATOM 834 O ALA A 61 14.890 -5.431 8.968 1.00 0.00 O ATOM 835 CB ALA A 61 14.178 -8.679 9.595 1.00 0.00 C ATOM 0 H ALA A 61 11.847 -8.608 8.905 1.00 0.00 H new ATOM 0 HA ALA A 61 13.421 -6.761 10.331 1.00 0.00 H new ATOM 0 HB1 ALA A 61 15.213 -8.502 9.889 1.00 0.00 H new ATOM 0 HB2 ALA A 61 13.672 -9.251 10.373 1.00 0.00 H new ATOM 0 HB3 ALA A 61 14.157 -9.240 8.661 1.00 0.00 H new ATOM 841 N LEU A 62 14.159 -6.498 7.118 1.00 0.00 N ATOM 842 CA LEU A 62 14.570 -5.420 6.164 1.00 0.00 C ATOM 843 C LEU A 62 13.833 -4.045 6.321 1.00 0.00 C ATOM 844 O LEU A 62 14.464 -3.014 6.107 1.00 0.00 O ATOM 845 CB LEU A 62 14.440 -5.902 4.693 1.00 0.00 C ATOM 846 CG LEU A 62 15.331 -7.082 4.231 1.00 0.00 C ATOM 847 CD1 LEU A 62 14.856 -7.616 2.874 1.00 0.00 C ATOM 848 CD2 LEU A 62 16.801 -6.642 4.113 1.00 0.00 C ATOM 0 H LEU A 62 13.800 -7.338 6.664 1.00 0.00 H new ATOM 0 HA LEU A 62 15.610 -5.227 6.427 1.00 0.00 H new ATOM 0 HB2 LEU A 62 13.400 -6.183 4.525 1.00 0.00 H new ATOM 0 HB3 LEU A 62 14.649 -5.052 4.044 1.00 0.00 H new ATOM 0 HG LEU A 62 15.252 -7.871 4.979 1.00 0.00 H new ATOM 0 HD11 LEU A 62 15.494 -8.444 2.566 1.00 0.00 H new ATOM 0 HD12 LEU A 62 13.826 -7.963 2.960 1.00 0.00 H new ATOM 0 HD13 LEU A 62 14.910 -6.820 2.131 1.00 0.00 H new ATOM 0 HD21 LEU A 62 17.409 -7.486 3.787 1.00 0.00 H new ATOM 0 HD22 LEU A 62 16.882 -5.835 3.385 1.00 0.00 H new ATOM 0 HD23 LEU A 62 17.155 -6.293 5.083 1.00 0.00 H new ATOM 860 N GLN A 63 12.540 -3.993 6.695 1.00 0.00 N ATOM 861 CA GLN A 63 11.839 -2.701 6.995 1.00 0.00 C ATOM 862 C GLN A 63 12.254 -1.950 8.307 1.00 0.00 C ATOM 863 O GLN A 63 12.121 -0.722 8.366 1.00 0.00 O ATOM 864 CB GLN A 63 10.296 -2.886 6.935 1.00 0.00 C ATOM 865 CG GLN A 63 9.745 -3.283 5.541 1.00 0.00 C ATOM 866 CD GLN A 63 8.304 -2.862 5.252 1.00 0.00 C ATOM 867 OE1 GLN A 63 7.949 -1.690 5.316 1.00 0.00 O ATOM 868 NE2 GLN A 63 7.449 -3.780 4.876 1.00 0.00 N ATOM 0 H GLN A 63 11.951 -4.819 6.800 1.00 0.00 H new ATOM 0 HA GLN A 63 12.184 -2.037 6.202 1.00 0.00 H new ATOM 0 HB2 GLN A 63 10.007 -3.651 7.656 1.00 0.00 H new ATOM 0 HB3 GLN A 63 9.820 -1.957 7.248 1.00 0.00 H new ATOM 0 HG2 GLN A 63 10.391 -2.848 4.778 1.00 0.00 H new ATOM 0 HG3 GLN A 63 9.815 -4.366 5.438 1.00 0.00 H new ATOM 0 HE21 GLN A 63 7.740 -4.756 4.821 1.00 0.00 H new ATOM 0 HE22 GLN A 63 6.492 -3.519 4.638 1.00 0.00 H new ATOM 877 N GLU A 64 12.761 -2.655 9.332 1.00 0.00 N ATOM 878 CA GLU A 64 13.516 -2.033 10.458 1.00 0.00 C ATOM 879 C GLU A 64 15.009 -1.728 10.087 1.00 0.00 C ATOM 880 O GLU A 64 15.471 -0.606 10.310 1.00 0.00 O ATOM 881 CB GLU A 64 13.390 -2.945 11.711 1.00 0.00 C ATOM 882 CG GLU A 64 11.977 -3.004 12.346 1.00 0.00 C ATOM 883 CD GLU A 64 11.839 -4.027 13.471 1.00 0.00 C ATOM 884 OE1 GLU A 64 12.472 -3.629 14.613 1.00 0.00 O ATOM 885 OE2 GLU A 64 11.218 -5.080 13.349 1.00 0.00 O ATOM 0 H GLU A 64 12.666 -3.667 9.413 1.00 0.00 H new ATOM 0 HA GLU A 64 13.078 -1.060 10.681 1.00 0.00 H new ATOM 0 HB2 GLU A 64 13.690 -3.956 11.436 1.00 0.00 H new ATOM 0 HB3 GLU A 64 14.096 -2.598 12.466 1.00 0.00 H new ATOM 0 HG2 GLU A 64 11.724 -2.017 12.734 1.00 0.00 H new ATOM 0 HG3 GLU A 64 11.250 -3.236 11.567 1.00 0.00 H new ATOM 892 N PHE A 65 15.747 -2.696 9.504 1.00 0.00 N ATOM 893 CA PHE A 65 17.148 -2.502 9.034 1.00 0.00 C ATOM 894 C PHE A 65 17.344 -1.409 7.949 1.00 0.00 C ATOM 895 O PHE A 65 18.236 -0.586 8.116 1.00 0.00 O ATOM 896 CB PHE A 65 17.663 -3.889 8.583 1.00 0.00 C ATOM 897 CG PHE A 65 19.101 -3.989 8.045 1.00 0.00 C ATOM 898 CD1 PHE A 65 20.204 -3.865 8.897 1.00 0.00 C ATOM 899 CD2 PHE A 65 19.303 -4.370 6.714 1.00 0.00 C ATOM 900 CE1 PHE A 65 21.481 -4.180 8.441 1.00 0.00 C ATOM 901 CE2 PHE A 65 20.577 -4.701 6.270 1.00 0.00 C ATOM 902 CZ PHE A 65 21.659 -4.641 7.140 1.00 0.00 C ATOM 0 H PHE A 65 15.393 -3.639 9.342 1.00 0.00 H new ATOM 0 HA PHE A 65 17.737 -2.106 9.861 1.00 0.00 H new ATOM 0 HB2 PHE A 65 17.576 -4.569 9.431 1.00 0.00 H new ATOM 0 HB3 PHE A 65 16.991 -4.258 7.808 1.00 0.00 H new ATOM 0 HD1 PHE A 65 20.064 -3.524 9.912 1.00 0.00 H new ATOM 0 HD2 PHE A 65 18.467 -4.407 6.031 1.00 0.00 H new ATOM 0 HE1 PHE A 65 22.332 -4.067 9.096 1.00 0.00 H new ATOM 0 HE2 PHE A 65 20.727 -5.006 5.245 1.00 0.00 H new ATOM 0 HZ PHE A 65 22.638 -4.952 6.807 1.00 0.00 H new ATOM 912 N LEU A 66 16.549 -1.338 6.870 1.00 0.00 N ATOM 913 CA LEU A 66 16.669 -0.212 5.896 1.00 0.00 C ATOM 914 C LEU A 66 16.396 1.230 6.430 1.00 0.00 C ATOM 915 O LEU A 66 16.950 2.171 5.865 1.00 0.00 O ATOM 916 CB LEU A 66 15.851 -0.537 4.622 1.00 0.00 C ATOM 917 CG LEU A 66 16.353 -1.753 3.798 1.00 0.00 C ATOM 918 CD1 LEU A 66 15.386 -2.050 2.647 1.00 0.00 C ATOM 919 CD2 LEU A 66 17.776 -1.542 3.258 1.00 0.00 C ATOM 0 H LEU A 66 15.829 -2.023 6.642 1.00 0.00 H new ATOM 0 HA LEU A 66 17.732 -0.157 5.663 1.00 0.00 H new ATOM 0 HB2 LEU A 66 14.816 -0.719 4.912 1.00 0.00 H new ATOM 0 HB3 LEU A 66 15.851 0.342 3.977 1.00 0.00 H new ATOM 0 HG LEU A 66 16.386 -2.609 4.472 1.00 0.00 H new ATOM 0 HD11 LEU A 66 15.750 -2.905 2.077 1.00 0.00 H new ATOM 0 HD12 LEU A 66 14.399 -2.276 3.050 1.00 0.00 H new ATOM 0 HD13 LEU A 66 15.320 -1.180 1.994 1.00 0.00 H new ATOM 0 HD21 LEU A 66 18.083 -2.419 2.689 1.00 0.00 H new ATOM 0 HD22 LEU A 66 17.793 -0.665 2.611 1.00 0.00 H new ATOM 0 HD23 LEU A 66 18.463 -1.392 4.091 1.00 0.00 H new ATOM 931 N THR A 67 15.620 1.419 7.508 1.00 0.00 N ATOM 932 CA THR A 67 15.488 2.733 8.213 1.00 0.00 C ATOM 933 C THR A 67 16.594 3.036 9.276 1.00 0.00 C ATOM 934 O THR A 67 17.002 4.193 9.385 1.00 0.00 O ATOM 935 CB THR A 67 14.031 2.840 8.737 1.00 0.00 C ATOM 936 OG1 THR A 67 13.170 2.865 7.613 1.00 0.00 O ATOM 937 CG2 THR A 67 13.657 4.103 9.520 1.00 0.00 C ATOM 0 H THR A 67 15.061 0.675 7.926 1.00 0.00 H new ATOM 0 HA THR A 67 15.675 3.536 7.500 1.00 0.00 H new ATOM 0 HB THR A 67 13.936 1.993 9.417 1.00 0.00 H new ATOM 0 HG1 THR A 67 13.584 3.388 6.895 1.00 0.00 H new ATOM 0 HG21 THR A 67 12.612 4.046 9.825 1.00 0.00 H new ATOM 0 HG22 THR A 67 14.290 4.184 10.404 1.00 0.00 H new ATOM 0 HG23 THR A 67 13.803 4.979 8.888 1.00 0.00 H new ATOM 945 N ASN A 68 17.073 2.058 10.061 1.00 0.00 N ATOM 946 CA ASN A 68 18.228 2.234 10.983 1.00 0.00 C ATOM 947 C ASN A 68 19.173 0.981 10.824 1.00 0.00 C ATOM 948 O ASN A 68 19.089 0.058 11.645 1.00 0.00 O ATOM 949 CB ASN A 68 17.706 2.495 12.427 1.00 0.00 C ATOM 950 CG ASN A 68 17.487 3.936 12.909 1.00 0.00 C ATOM 951 OD1 ASN A 68 17.945 4.321 13.978 1.00 0.00 O ATOM 952 ND2 ASN A 68 16.785 4.781 12.200 1.00 0.00 N ATOM 0 H ASN A 68 16.676 1.118 10.081 1.00 0.00 H new ATOM 0 HA ASN A 68 18.830 3.110 10.740 1.00 0.00 H new ATOM 0 HB2 ASN A 68 16.756 1.970 12.530 1.00 0.00 H new ATOM 0 HB3 ASN A 68 18.407 2.024 13.116 1.00 0.00 H new ATOM 0 HD21 ASN A 68 16.632 5.730 12.542 1.00 0.00 H new ATOM 0 HD22 ASN A 68 16.390 4.491 11.305 1.00 0.00 H new ATOM 959 N PRO A 69 20.100 0.908 9.812 1.00 0.00 N ATOM 960 CA PRO A 69 21.001 -0.266 9.600 1.00 0.00 C ATOM 961 C PRO A 69 21.904 -0.689 10.792 1.00 0.00 C ATOM 962 O PRO A 69 21.975 -1.867 11.150 1.00 0.00 O ATOM 963 CB PRO A 69 21.809 0.138 8.341 1.00 0.00 C ATOM 964 CG PRO A 69 20.934 1.140 7.588 1.00 0.00 C ATOM 965 CD PRO A 69 20.132 1.845 8.675 1.00 0.00 C ATOM 0 HA PRO A 69 20.413 -1.177 9.487 1.00 0.00 H new ATOM 0 HB2 PRO A 69 22.765 0.583 8.616 1.00 0.00 H new ATOM 0 HB3 PRO A 69 22.029 -0.732 7.722 1.00 0.00 H new ATOM 0 HG2 PRO A 69 21.540 1.847 7.021 1.00 0.00 H new ATOM 0 HG3 PRO A 69 20.280 0.638 6.876 1.00 0.00 H new ATOM 0 HD2 PRO A 69 20.599 2.789 8.957 1.00 0.00 H new ATOM 0 HD3 PRO A 69 19.125 2.078 8.330 1.00 0.00 H new ATOM 973 N LYS A 70 22.528 0.310 11.426 1.00 0.00 N ATOM 974 CA LYS A 70 23.282 0.147 12.695 1.00 0.00 C ATOM 975 C LYS A 70 22.456 0.080 14.037 1.00 0.00 C ATOM 976 O LYS A 70 23.058 0.016 15.111 1.00 0.00 O ATOM 977 CB LYS A 70 24.351 1.270 12.665 1.00 0.00 C ATOM 978 CG LYS A 70 23.782 2.708 12.752 1.00 0.00 C ATOM 979 CD LYS A 70 24.637 3.802 12.075 1.00 0.00 C ATOM 980 CE LYS A 70 24.611 3.787 10.529 1.00 0.00 C ATOM 981 NZ LYS A 70 23.271 4.108 9.986 1.00 0.00 N ATOM 0 H LYS A 70 22.530 1.268 11.077 1.00 0.00 H new ATOM 0 HA LYS A 70 23.714 -0.853 12.724 1.00 0.00 H new ATOM 0 HB2 LYS A 70 25.043 1.117 13.494 1.00 0.00 H new ATOM 0 HB3 LYS A 70 24.929 1.178 11.746 1.00 0.00 H new ATOM 0 HG2 LYS A 70 22.790 2.716 12.301 1.00 0.00 H new ATOM 0 HG3 LYS A 70 23.656 2.968 13.803 1.00 0.00 H new ATOM 0 HD2 LYS A 70 24.292 4.777 12.420 1.00 0.00 H new ATOM 0 HD3 LYS A 70 25.669 3.693 12.407 1.00 0.00 H new ATOM 0 HE2 LYS A 70 25.336 4.506 10.149 1.00 0.00 H new ATOM 0 HE3 LYS A 70 24.919 2.804 10.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 23.311 4.119 8.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 22.588 3.388 10.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 22.971 5.042 10.331 1.00 0.00 H new ATOM 994 N ALA A 71 21.110 0.055 14.005 1.00 0.00 N ATOM 995 CA ALA A 71 20.274 -0.395 15.153 1.00 0.00 C ATOM 996 C ALA A 71 19.928 -1.920 15.114 1.00 0.00 C ATOM 997 O ALA A 71 20.083 -2.598 16.132 1.00 0.00 O ATOM 998 CB ALA A 71 19.017 0.491 15.199 1.00 0.00 C ATOM 0 H ALA A 71 20.567 0.343 13.191 1.00 0.00 H new ATOM 0 HA ALA A 71 20.847 -0.278 16.073 1.00 0.00 H new ATOM 0 HB1 ALA A 71 18.385 0.183 16.032 1.00 0.00 H new ATOM 0 HB2 ALA A 71 19.310 1.532 15.332 1.00 0.00 H new ATOM 0 HB3 ALA A 71 18.464 0.386 14.266 1.00 0.00 H new ATOM 1004 N VAL A 72 19.488 -2.471 13.959 1.00 0.00 N ATOM 1005 CA VAL A 72 19.302 -3.945 13.776 1.00 0.00 C ATOM 1006 C VAL A 72 20.674 -4.719 13.731 1.00 0.00 C ATOM 1007 O VAL A 72 20.813 -5.726 14.431 1.00 0.00 O ATOM 1008 CB VAL A 72 18.351 -4.221 12.555 1.00 0.00 C ATOM 1009 CG1 VAL A 72 18.192 -5.720 12.217 1.00 0.00 C ATOM 1010 CG2 VAL A 72 16.913 -3.664 12.708 1.00 0.00 C ATOM 0 H VAL A 72 19.252 -1.922 13.132 1.00 0.00 H new ATOM 0 HA VAL A 72 18.801 -4.354 14.654 1.00 0.00 H new ATOM 0 HB VAL A 72 18.869 -3.691 11.756 1.00 0.00 H new ATOM 0 HG11 VAL A 72 17.522 -5.832 11.364 1.00 0.00 H new ATOM 0 HG12 VAL A 72 19.166 -6.143 11.971 1.00 0.00 H new ATOM 0 HG13 VAL A 72 17.776 -6.245 13.077 1.00 0.00 H new ATOM 0 HG21 VAL A 72 16.333 -3.904 11.817 1.00 0.00 H new ATOM 0 HG22 VAL A 72 16.440 -4.114 13.581 1.00 0.00 H new ATOM 0 HG23 VAL A 72 16.953 -2.582 12.834 1.00 0.00 H new ATOM 1020 N VAL A 73 21.669 -4.273 12.936 1.00 0.00 N ATOM 1021 CA VAL A 73 23.062 -4.820 12.996 1.00 0.00 C ATOM 1022 C VAL A 73 23.993 -3.682 13.528 1.00 0.00 C ATOM 1023 O VAL A 73 24.634 -2.976 12.742 1.00 0.00 O ATOM 1024 CB VAL A 73 23.531 -5.383 11.608 1.00 0.00 C ATOM 1025 CG1 VAL A 73 24.956 -5.984 11.645 1.00 0.00 C ATOM 1026 CG2 VAL A 73 22.621 -6.468 10.993 1.00 0.00 C ATOM 0 H VAL A 73 21.545 -3.536 12.242 1.00 0.00 H new ATOM 0 HA VAL A 73 23.104 -5.672 13.674 1.00 0.00 H new ATOM 0 HB VAL A 73 23.491 -4.489 10.986 1.00 0.00 H new ATOM 0 HG11 VAL A 73 25.220 -6.355 10.655 1.00 0.00 H new ATOM 0 HG12 VAL A 73 25.668 -5.215 11.946 1.00 0.00 H new ATOM 0 HG13 VAL A 73 24.986 -6.806 12.361 1.00 0.00 H new ATOM 0 HG21 VAL A 73 23.033 -6.789 10.037 1.00 0.00 H new ATOM 0 HG22 VAL A 73 22.564 -7.321 11.669 1.00 0.00 H new ATOM 0 HG23 VAL A 73 21.622 -6.060 10.839 1.00 0.00 H new ATOM 1036 N LYS A 74 24.111 -3.518 14.859 1.00 0.00 N ATOM 1037 CA LYS A 74 25.041 -2.524 15.472 1.00 0.00 C ATOM 1038 C LYS A 74 26.547 -2.881 15.219 1.00 0.00 C ATOM 1039 O LYS A 74 27.057 -3.899 15.693 1.00 0.00 O ATOM 1040 CB LYS A 74 24.655 -2.283 16.962 1.00 0.00 C ATOM 1041 CG LYS A 74 25.003 -3.336 18.048 1.00 0.00 C ATOM 1042 CD LYS A 74 24.230 -4.671 17.957 1.00 0.00 C ATOM 1043 CE LYS A 74 24.511 -5.661 19.102 1.00 0.00 C ATOM 1044 NZ LYS A 74 23.875 -5.239 20.368 1.00 0.00 N ATOM 0 H LYS A 74 23.577 -4.058 15.540 1.00 0.00 H new ATOM 0 HA LYS A 74 24.924 -1.563 14.972 1.00 0.00 H new ATOM 0 HB2 LYS A 74 25.117 -1.344 17.266 1.00 0.00 H new ATOM 0 HB3 LYS A 74 23.576 -2.133 16.994 1.00 0.00 H new ATOM 0 HG2 LYS A 74 26.070 -3.550 17.992 1.00 0.00 H new ATOM 0 HG3 LYS A 74 24.818 -2.896 19.028 1.00 0.00 H new ATOM 0 HD2 LYS A 74 23.162 -4.455 17.937 1.00 0.00 H new ATOM 0 HD3 LYS A 74 24.476 -5.153 17.011 1.00 0.00 H new ATOM 0 HE2 LYS A 74 24.145 -6.650 18.824 1.00 0.00 H new ATOM 0 HE3 LYS A 74 25.587 -5.749 19.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 24.089 -5.933 21.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 24.243 -4.307 20.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 22.845 -5.180 20.236 1.00 0.00 H new ATOM 1057 N GLY A 75 27.220 -2.075 14.382 1.00 0.00 N ATOM 1058 CA GLY A 75 28.485 -2.490 13.711 1.00 0.00 C ATOM 1059 C GLY A 75 28.370 -3.218 12.344 1.00 0.00 C ATOM 1060 O GLY A 75 29.174 -4.108 12.054 1.00 0.00 O ATOM 0 H GLY A 75 26.917 -1.130 14.147 1.00 0.00 H new ATOM 0 HA2 GLY A 75 29.096 -1.599 13.567 1.00 0.00 H new ATOM 0 HA3 GLY A 75 29.029 -3.142 14.394 1.00 0.00 H new ATOM 1064 N THR A 76 27.449 -2.799 11.461 1.00 0.00 N ATOM 1065 CA THR A 76 27.488 -3.123 10.013 1.00 0.00 C ATOM 1066 C THR A 76 28.569 -2.262 9.283 1.00 0.00 C ATOM 1067 O THR A 76 28.710 -1.060 9.537 1.00 0.00 O ATOM 1068 CB THR A 76 26.048 -2.958 9.427 1.00 0.00 C ATOM 1069 OG1 THR A 76 26.010 -3.455 8.097 1.00 0.00 O ATOM 1070 CG2 THR A 76 25.425 -1.552 9.372 1.00 0.00 C ATOM 0 H THR A 76 26.650 -2.223 11.726 1.00 0.00 H new ATOM 0 HA THR A 76 27.791 -4.158 9.855 1.00 0.00 H new ATOM 0 HB THR A 76 25.454 -3.514 10.152 1.00 0.00 H new ATOM 0 HG1 THR A 76 25.105 -3.351 7.735 1.00 0.00 H new ATOM 0 HG21 THR A 76 24.426 -1.613 8.939 1.00 0.00 H new ATOM 0 HG22 THR A 76 25.359 -1.143 10.380 1.00 0.00 H new ATOM 0 HG23 THR A 76 26.047 -0.902 8.757 1.00 0.00 H new ATOM 1078 N LYS A 77 29.272 -2.850 8.304 1.00 0.00 N ATOM 1079 CA LYS A 77 30.026 -2.047 7.284 1.00 0.00 C ATOM 1080 C LYS A 77 29.150 -1.180 6.296 1.00 0.00 C ATOM 1081 O LYS A 77 29.716 -0.461 5.468 1.00 0.00 O ATOM 1082 CB LYS A 77 30.960 -3.017 6.502 1.00 0.00 C ATOM 1083 CG LYS A 77 32.194 -3.565 7.258 1.00 0.00 C ATOM 1084 CD LYS A 77 32.740 -4.859 6.617 1.00 0.00 C ATOM 1085 CE LYS A 77 34.034 -5.352 7.282 1.00 0.00 C ATOM 1086 NZ LYS A 77 34.444 -6.649 6.709 1.00 0.00 N ATOM 0 H LYS A 77 29.345 -3.860 8.183 1.00 0.00 H new ATOM 0 HA LYS A 77 30.590 -1.296 7.837 1.00 0.00 H new ATOM 0 HB2 LYS A 77 30.363 -3.866 6.167 1.00 0.00 H new ATOM 0 HB3 LYS A 77 31.311 -2.502 5.608 1.00 0.00 H new ATOM 0 HG2 LYS A 77 32.978 -2.808 7.269 1.00 0.00 H new ATOM 0 HG3 LYS A 77 31.925 -3.761 8.296 1.00 0.00 H new ATOM 0 HD2 LYS A 77 31.982 -5.640 6.683 1.00 0.00 H new ATOM 0 HD3 LYS A 77 32.925 -4.684 5.557 1.00 0.00 H new ATOM 0 HE2 LYS A 77 34.827 -4.617 7.140 1.00 0.00 H new ATOM 0 HE3 LYS A 77 33.883 -5.453 8.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 35.470 -6.771 6.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 33.946 -7.419 7.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 34.205 -6.673 5.697 1.00 0.00 H new ATOM 1099 N MET A 78 27.798 -1.219 6.366 1.00 0.00 N ATOM 1100 CA MET A 78 26.908 -0.476 5.439 1.00 0.00 C ATOM 1101 C MET A 78 26.816 1.032 5.833 1.00 0.00 C ATOM 1102 O MET A 78 26.099 1.405 6.769 1.00 0.00 O ATOM 1103 CB MET A 78 25.539 -1.218 5.363 1.00 0.00 C ATOM 1104 CG MET A 78 24.497 -0.527 4.457 1.00 0.00 C ATOM 1105 SD MET A 78 23.363 -1.672 3.564 1.00 0.00 S ATOM 1106 CE MET A 78 21.811 -0.809 4.033 1.00 0.00 C ATOM 0 H MET A 78 27.294 -1.765 7.065 1.00 0.00 H new ATOM 0 HA MET A 78 27.319 -0.463 4.430 1.00 0.00 H new ATOM 0 HB2 MET A 78 25.707 -2.231 4.998 1.00 0.00 H new ATOM 0 HB3 MET A 78 25.129 -1.305 6.369 1.00 0.00 H new ATOM 0 HG2 MET A 78 23.899 0.150 5.067 1.00 0.00 H new ATOM 0 HG3 MET A 78 25.023 0.085 3.724 1.00 0.00 H new ATOM 0 HE1 MET A 78 20.959 -1.331 3.598 1.00 0.00 H new ATOM 0 HE2 MET A 78 21.714 -0.799 5.119 1.00 0.00 H new ATOM 0 HE3 MET A 78 21.838 0.215 3.661 1.00 0.00 H new ATOM 1116 N ALA A 79 27.512 1.902 5.074 1.00 0.00 N ATOM 1117 CA ALA A 79 27.447 3.376 5.271 1.00 0.00 C ATOM 1118 C ALA A 79 26.158 4.027 4.659 1.00 0.00 C ATOM 1119 O ALA A 79 26.192 4.762 3.667 1.00 0.00 O ATOM 1120 CB ALA A 79 28.772 3.938 4.716 1.00 0.00 C ATOM 0 H ALA A 79 28.129 1.614 4.315 1.00 0.00 H new ATOM 0 HA ALA A 79 27.350 3.628 6.327 1.00 0.00 H new ATOM 0 HB1 ALA A 79 28.785 5.022 4.833 1.00 0.00 H new ATOM 0 HB2 ALA A 79 29.609 3.504 5.263 1.00 0.00 H new ATOM 0 HB3 ALA A 79 28.860 3.686 3.659 1.00 0.00 H new ATOM 1126 N PHE A 80 25.011 3.735 5.291 1.00 0.00 N ATOM 1127 CA PHE A 80 23.671 4.173 4.830 1.00 0.00 C ATOM 1128 C PHE A 80 22.883 4.766 6.039 1.00 0.00 C ATOM 1129 O PHE A 80 22.797 4.161 7.114 1.00 0.00 O ATOM 1130 CB PHE A 80 22.971 2.953 4.168 1.00 0.00 C ATOM 1131 CG PHE A 80 21.624 3.253 3.492 1.00 0.00 C ATOM 1132 CD1 PHE A 80 21.573 4.041 2.336 1.00 0.00 C ATOM 1133 CD2 PHE A 80 20.436 2.748 4.030 1.00 0.00 C ATOM 1134 CE1 PHE A 80 20.350 4.328 1.736 1.00 0.00 C ATOM 1135 CE2 PHE A 80 19.217 3.031 3.427 1.00 0.00 C ATOM 1136 CZ PHE A 80 19.175 3.827 2.288 1.00 0.00 C ATOM 0 H PHE A 80 24.980 3.182 6.147 1.00 0.00 H new ATOM 0 HA PHE A 80 23.730 4.965 4.083 1.00 0.00 H new ATOM 0 HB2 PHE A 80 23.645 2.528 3.424 1.00 0.00 H new ATOM 0 HB3 PHE A 80 22.814 2.189 4.929 1.00 0.00 H new ATOM 0 HD1 PHE A 80 22.486 4.428 1.908 1.00 0.00 H new ATOM 0 HD2 PHE A 80 20.466 2.135 4.919 1.00 0.00 H new ATOM 0 HE1 PHE A 80 20.313 4.937 0.845 1.00 0.00 H new ATOM 0 HE2 PHE A 80 18.303 2.633 3.843 1.00 0.00 H new ATOM 0 HZ PHE A 80 18.225 4.058 1.829 1.00 0.00 H new ATOM 1146 N ALA A 81 22.292 5.956 5.851 1.00 0.00 N ATOM 1147 CA ALA A 81 21.565 6.674 6.932 1.00 0.00 C ATOM 1148 C ALA A 81 20.124 6.175 7.271 1.00 0.00 C ATOM 1149 O ALA A 81 19.722 6.276 8.433 1.00 0.00 O ATOM 1150 CB ALA A 81 21.573 8.163 6.534 1.00 0.00 C ATOM 0 H ALA A 81 22.299 6.451 4.959 1.00 0.00 H new ATOM 0 HA ALA A 81 22.087 6.474 7.868 1.00 0.00 H new ATOM 0 HB1 ALA A 81 21.051 8.745 7.293 1.00 0.00 H new ATOM 0 HB2 ALA A 81 22.602 8.512 6.453 1.00 0.00 H new ATOM 0 HB3 ALA A 81 21.072 8.286 5.574 1.00 0.00 H new ATOM 1156 N GLY A 82 19.352 5.677 6.285 1.00 0.00 N ATOM 1157 CA GLY A 82 17.944 5.267 6.518 1.00 0.00 C ATOM 1158 C GLY A 82 16.928 5.625 5.410 1.00 0.00 C ATOM 1159 O GLY A 82 16.826 6.779 4.987 1.00 0.00 O ATOM 0 H GLY A 82 19.672 5.548 5.325 1.00 0.00 H new ATOM 0 HA2 GLY A 82 17.923 4.187 6.664 1.00 0.00 H new ATOM 0 HA3 GLY A 82 17.606 5.721 7.450 1.00 0.00 H new ATOM 1163 N LEU A 83 16.083 4.653 5.030 1.00 0.00 N ATOM 1164 CA LEU A 83 14.833 4.914 4.263 1.00 0.00 C ATOM 1165 C LEU A 83 13.681 5.501 5.163 1.00 0.00 C ATOM 1166 O LEU A 83 13.391 4.903 6.208 1.00 0.00 O ATOM 1167 CB LEU A 83 14.345 3.623 3.541 1.00 0.00 C ATOM 1168 CG LEU A 83 15.138 3.172 2.287 1.00 0.00 C ATOM 1169 CD1 LEU A 83 14.517 1.909 1.678 1.00 0.00 C ATOM 1170 CD2 LEU A 83 15.151 4.240 1.184 1.00 0.00 C ATOM 0 H LEU A 83 16.237 3.667 5.239 1.00 0.00 H new ATOM 0 HA LEU A 83 15.079 5.670 3.517 1.00 0.00 H new ATOM 0 HB2 LEU A 83 14.360 2.806 4.262 1.00 0.00 H new ATOM 0 HB3 LEU A 83 13.306 3.771 3.249 1.00 0.00 H new ATOM 0 HG LEU A 83 16.156 2.989 2.631 1.00 0.00 H new ATOM 0 HD11 LEU A 83 15.089 1.610 0.799 1.00 0.00 H new ATOM 0 HD12 LEU A 83 14.534 1.104 2.413 1.00 0.00 H new ATOM 0 HD13 LEU A 83 13.486 2.114 1.388 1.00 0.00 H new ATOM 0 HD21 LEU A 83 15.719 3.873 0.329 1.00 0.00 H new ATOM 0 HD22 LEU A 83 14.128 4.456 0.874 1.00 0.00 H new ATOM 0 HD23 LEU A 83 15.615 5.150 1.564 1.00 0.00 H new ATOM 1182 N PRO A 84 12.980 6.622 4.813 1.00 0.00 N ATOM 1183 CA PRO A 84 12.002 7.274 5.731 1.00 0.00 C ATOM 1184 C PRO A 84 10.564 6.661 5.773 1.00 0.00 C ATOM 1185 O PRO A 84 10.048 6.399 6.862 1.00 0.00 O ATOM 1186 CB PRO A 84 12.060 8.737 5.244 1.00 0.00 C ATOM 1187 CG PRO A 84 12.369 8.657 3.745 1.00 0.00 C ATOM 1188 CD PRO A 84 13.266 7.426 3.605 1.00 0.00 C ATOM 0 HA PRO A 84 12.264 7.136 6.780 1.00 0.00 H new ATOM 0 HB2 PRO A 84 11.114 9.248 5.423 1.00 0.00 H new ATOM 0 HB3 PRO A 84 12.830 9.297 5.774 1.00 0.00 H new ATOM 0 HG2 PRO A 84 11.457 8.553 3.157 1.00 0.00 H new ATOM 0 HG3 PRO A 84 12.873 9.558 3.395 1.00 0.00 H new ATOM 0 HD2 PRO A 84 13.039 6.870 2.695 1.00 0.00 H new ATOM 0 HD3 PRO A 84 14.318 7.705 3.554 1.00 0.00 H new ATOM 1196 N LYS A 85 9.908 6.442 4.617 1.00 0.00 N ATOM 1197 CA LYS A 85 8.492 5.992 4.553 1.00 0.00 C ATOM 1198 C LYS A 85 8.397 4.438 4.626 1.00 0.00 C ATOM 1199 O LYS A 85 9.230 3.714 4.066 1.00 0.00 O ATOM 1200 CB LYS A 85 7.851 6.466 3.219 1.00 0.00 C ATOM 1201 CG LYS A 85 7.908 7.975 2.877 1.00 0.00 C ATOM 1202 CD LYS A 85 7.482 8.254 1.417 1.00 0.00 C ATOM 1203 CE LYS A 85 7.990 9.582 0.827 1.00 0.00 C ATOM 1204 NZ LYS A 85 9.459 9.586 0.623 1.00 0.00 N ATOM 0 H LYS A 85 10.337 6.570 3.701 1.00 0.00 H new ATOM 0 HA LYS A 85 7.963 6.423 5.403 1.00 0.00 H new ATOM 0 HB2 LYS A 85 8.332 5.922 2.406 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.803 6.166 3.228 1.00 0.00 H new ATOM 0 HG2 LYS A 85 7.257 8.526 3.556 1.00 0.00 H new ATOM 0 HG3 LYS A 85 8.921 8.345 3.036 1.00 0.00 H new ATOM 0 HD2 LYS A 85 7.838 7.437 0.789 1.00 0.00 H new ATOM 0 HD3 LYS A 85 6.393 8.245 1.365 1.00 0.00 H new ATOM 0 HE2 LYS A 85 7.493 9.767 -0.126 1.00 0.00 H new ATOM 0 HE3 LYS A 85 7.716 10.400 1.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 9.899 10.258 1.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 9.836 8.632 0.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 9.673 9.870 -0.354 1.00 0.00 H new ATOM 1217 N ILE A 86 7.337 3.914 5.260 1.00 0.00 N ATOM 1218 CA ILE A 86 6.968 2.457 5.171 1.00 0.00 C ATOM 1219 C ILE A 86 6.761 1.935 3.701 1.00 0.00 C ATOM 1220 O ILE A 86 7.264 0.865 3.349 1.00 0.00 O ATOM 1221 CB ILE A 86 5.795 2.166 6.178 1.00 0.00 C ATOM 1222 CG1 ILE A 86 5.650 0.677 6.611 1.00 0.00 C ATOM 1223 CG2 ILE A 86 4.422 2.791 5.810 1.00 0.00 C ATOM 1224 CD1 ILE A 86 4.997 -0.314 5.628 1.00 0.00 C ATOM 0 H ILE A 86 6.707 4.463 5.846 1.00 0.00 H new ATOM 0 HA ILE A 86 7.817 1.851 5.487 1.00 0.00 H new ATOM 0 HB ILE A 86 6.136 2.708 7.060 1.00 0.00 H new ATOM 0 HG12 ILE A 86 6.646 0.302 6.847 1.00 0.00 H new ATOM 0 HG13 ILE A 86 5.073 0.655 7.536 1.00 0.00 H new ATOM 0 HG21 ILE A 86 3.687 2.528 6.571 1.00 0.00 H new ATOM 0 HG22 ILE A 86 4.518 3.876 5.758 1.00 0.00 H new ATOM 0 HG23 ILE A 86 4.096 2.409 4.843 1.00 0.00 H new ATOM 0 HD11 ILE A 86 4.970 -1.307 6.077 1.00 0.00 H new ATOM 0 HD12 ILE A 86 3.981 0.011 5.405 1.00 0.00 H new ATOM 0 HD13 ILE A 86 5.578 -0.348 4.706 1.00 0.00 H new ATOM 1236 N GLU A 87 6.138 2.749 2.823 1.00 0.00 N ATOM 1237 CA GLU A 87 6.112 2.504 1.356 1.00 0.00 C ATOM 1238 C GLU A 87 7.501 2.486 0.643 1.00 0.00 C ATOM 1239 O GLU A 87 7.666 1.676 -0.265 1.00 0.00 O ATOM 1240 CB GLU A 87 5.165 3.534 0.681 1.00 0.00 C ATOM 1241 CG GLU A 87 3.661 3.347 0.999 1.00 0.00 C ATOM 1242 CD GLU A 87 2.765 4.380 0.324 1.00 0.00 C ATOM 1243 OE1 GLU A 87 2.517 5.482 0.800 1.00 0.00 O ATOM 1244 OE2 GLU A 87 2.274 3.942 -0.869 1.00 0.00 O ATOM 0 H GLU A 87 5.639 3.593 3.105 1.00 0.00 H new ATOM 0 HA GLU A 87 5.741 1.486 1.237 1.00 0.00 H new ATOM 0 HB2 GLU A 87 5.464 4.536 0.989 1.00 0.00 H new ATOM 0 HB3 GLU A 87 5.302 3.478 -0.399 1.00 0.00 H new ATOM 0 HG2 GLU A 87 3.353 2.350 0.686 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.516 3.401 2.078 1.00 0.00 H new ATOM 1251 N ASP A 88 8.501 3.310 1.026 1.00 0.00 N ATOM 1252 CA ASP A 88 9.845 3.286 0.362 1.00 0.00 C ATOM 1253 C ASP A 88 10.593 1.918 0.500 1.00 0.00 C ATOM 1254 O ASP A 88 10.954 1.313 -0.513 1.00 0.00 O ATOM 1255 CB ASP A 88 10.715 4.491 0.818 1.00 0.00 C ATOM 1256 CG ASP A 88 10.291 5.858 0.271 1.00 0.00 C ATOM 1257 OD1 ASP A 88 9.827 6.036 -0.850 1.00 0.00 O ATOM 1258 OD2 ASP A 88 10.493 6.861 1.171 1.00 0.00 O ATOM 0 H ASP A 88 8.417 3.994 1.778 1.00 0.00 H new ATOM 0 HA ASP A 88 9.662 3.393 -0.707 1.00 0.00 H new ATOM 0 HB2 ASP A 88 10.701 4.535 1.907 1.00 0.00 H new ATOM 0 HB3 ASP A 88 11.747 4.305 0.520 1.00 0.00 H new ATOM 1263 N ARG A 89 10.754 1.405 1.732 1.00 0.00 N ATOM 1264 CA ARG A 89 11.195 0.003 1.970 1.00 0.00 C ATOM 1265 C ARG A 89 10.237 -1.133 1.467 1.00 0.00 C ATOM 1266 O ARG A 89 10.742 -2.054 0.825 1.00 0.00 O ATOM 1267 CB ARG A 89 11.709 -0.163 3.421 1.00 0.00 C ATOM 1268 CG ARG A 89 10.772 0.263 4.581 1.00 0.00 C ATOM 1269 CD ARG A 89 11.314 1.438 5.425 1.00 0.00 C ATOM 1270 NE ARG A 89 10.828 1.283 6.829 1.00 0.00 N ATOM 1271 CZ ARG A 89 10.328 2.228 7.615 1.00 0.00 C ATOM 1272 NH1 ARG A 89 10.022 3.424 7.207 1.00 0.00 N ATOM 1273 NH2 ARG A 89 10.168 1.946 8.874 1.00 0.00 N ATOM 0 H ARG A 89 10.587 1.936 2.587 1.00 0.00 H new ATOM 0 HA ARG A 89 12.039 -0.159 1.299 1.00 0.00 H new ATOM 0 HB2 ARG A 89 11.964 -1.213 3.566 1.00 0.00 H new ATOM 0 HB3 ARG A 89 12.634 0.405 3.514 1.00 0.00 H new ATOM 0 HG2 ARG A 89 9.803 0.542 4.168 1.00 0.00 H new ATOM 0 HG3 ARG A 89 10.606 -0.594 5.234 1.00 0.00 H new ATOM 0 HD2 ARG A 89 12.404 1.449 5.401 1.00 0.00 H new ATOM 0 HD3 ARG A 89 10.976 2.388 5.011 1.00 0.00 H new ATOM 0 HE ARG A 89 10.887 0.346 7.228 1.00 0.00 H new ATOM 0 HH11 ARG A 89 10.163 3.681 6.230 1.00 0.00 H new ATOM 0 HH12 ARG A 89 9.641 4.105 7.864 1.00 0.00 H new ATOM 0 HH21 ARG A 89 10.424 1.024 9.227 1.00 0.00 H new ATOM 0 HH22 ARG A 89 9.786 2.647 9.509 1.00 0.00 H new ATOM 1287 N ALA A 90 8.901 -1.085 1.665 1.00 0.00 N ATOM 1288 CA ALA A 90 7.955 -2.043 1.013 1.00 0.00 C ATOM 1289 C ALA A 90 7.968 -2.124 -0.556 1.00 0.00 C ATOM 1290 O ALA A 90 8.044 -3.226 -1.107 1.00 0.00 O ATOM 1291 CB ALA A 90 6.553 -1.758 1.577 1.00 0.00 C ATOM 0 H ALA A 90 8.446 -0.399 2.267 1.00 0.00 H new ATOM 0 HA ALA A 90 8.305 -3.044 1.266 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.833 -2.439 1.124 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.559 -1.903 2.657 1.00 0.00 H new ATOM 0 HB3 ALA A 90 6.272 -0.730 1.350 1.00 0.00 H new ATOM 1297 N ASN A 91 7.958 -0.983 -1.269 1.00 0.00 N ATOM 1298 CA ASN A 91 8.183 -0.913 -2.750 1.00 0.00 C ATOM 1299 C ASN A 91 9.536 -1.541 -3.243 1.00 0.00 C ATOM 1300 O ASN A 91 9.545 -2.401 -4.129 1.00 0.00 O ATOM 1301 CB ASN A 91 8.048 0.569 -3.218 1.00 0.00 C ATOM 1302 CG ASN A 91 6.685 1.265 -3.056 1.00 0.00 C ATOM 1303 OD1 ASN A 91 5.640 0.667 -2.827 1.00 0.00 O ATOM 1304 ND2 ASN A 91 6.643 2.569 -3.171 1.00 0.00 N ATOM 0 H ASN A 91 7.794 -0.070 -0.844 1.00 0.00 H new ATOM 0 HA ASN A 91 7.414 -1.533 -3.210 1.00 0.00 H new ATOM 0 HB2 ASN A 91 8.788 1.157 -2.676 1.00 0.00 H new ATOM 0 HB3 ASN A 91 8.319 0.610 -4.273 1.00 0.00 H new ATOM 0 HD21 ASN A 91 5.756 3.062 -3.070 1.00 0.00 H new ATOM 0 HD22 ASN A 91 7.498 3.092 -3.361 1.00 0.00 H new ATOM 1311 N LEU A 92 10.664 -1.147 -2.623 1.00 0.00 N ATOM 1312 CA LEU A 92 11.973 -1.857 -2.725 1.00 0.00 C ATOM 1313 C LEU A 92 11.962 -3.400 -2.414 1.00 0.00 C ATOM 1314 O LEU A 92 12.590 -4.173 -3.139 1.00 0.00 O ATOM 1315 CB LEU A 92 12.925 -0.990 -1.843 1.00 0.00 C ATOM 1316 CG LEU A 92 14.418 -1.357 -1.663 1.00 0.00 C ATOM 1317 CD1 LEU A 92 14.607 -2.533 -0.697 1.00 0.00 C ATOM 1318 CD2 LEU A 92 15.153 -1.595 -2.989 1.00 0.00 C ATOM 0 H LEU A 92 10.703 -0.319 -2.029 1.00 0.00 H new ATOM 0 HA LEU A 92 12.314 -1.920 -3.758 1.00 0.00 H new ATOM 0 HB2 LEU A 92 12.894 0.023 -2.244 1.00 0.00 H new ATOM 0 HB3 LEU A 92 12.486 -0.951 -0.846 1.00 0.00 H new ATOM 0 HG LEU A 92 14.882 -0.479 -1.214 1.00 0.00 H new ATOM 0 HD11 LEU A 92 15.669 -2.757 -0.600 1.00 0.00 H new ATOM 0 HD12 LEU A 92 14.201 -2.270 0.280 1.00 0.00 H new ATOM 0 HD13 LEU A 92 14.085 -3.409 -1.083 1.00 0.00 H new ATOM 0 HD21 LEU A 92 16.194 -1.848 -2.788 1.00 0.00 H new ATOM 0 HD22 LEU A 92 14.678 -2.416 -3.526 1.00 0.00 H new ATOM 0 HD23 LEU A 92 15.110 -0.691 -3.596 1.00 0.00 H new ATOM 1330 N ILE A 93 11.254 -3.860 -1.370 1.00 0.00 N ATOM 1331 CA ILE A 93 11.088 -5.314 -1.041 1.00 0.00 C ATOM 1332 C ILE A 93 10.240 -6.124 -2.096 1.00 0.00 C ATOM 1333 O ILE A 93 10.569 -7.289 -2.349 1.00 0.00 O ATOM 1334 CB ILE A 93 10.649 -5.407 0.471 1.00 0.00 C ATOM 1335 CG1 ILE A 93 11.834 -5.079 1.440 1.00 0.00 C ATOM 1336 CG2 ILE A 93 10.016 -6.752 0.893 1.00 0.00 C ATOM 1337 CD1 ILE A 93 11.435 -4.678 2.871 1.00 0.00 C ATOM 0 H ILE A 93 10.772 -3.242 -0.717 1.00 0.00 H new ATOM 0 HA ILE A 93 12.034 -5.847 -1.136 1.00 0.00 H new ATOM 0 HB ILE A 93 9.866 -4.654 0.554 1.00 0.00 H new ATOM 0 HG12 ILE A 93 12.486 -5.951 1.495 1.00 0.00 H new ATOM 0 HG13 ILE A 93 12.421 -4.269 1.006 1.00 0.00 H new ATOM 0 HG21 ILE A 93 9.750 -6.713 1.949 1.00 0.00 H new ATOM 0 HG22 ILE A 93 9.120 -6.935 0.299 1.00 0.00 H new ATOM 0 HG23 ILE A 93 10.731 -7.558 0.729 1.00 0.00 H new ATOM 0 HD11 ILE A 93 12.332 -4.473 3.455 1.00 0.00 H new ATOM 0 HD12 ILE A 93 10.812 -3.784 2.838 1.00 0.00 H new ATOM 0 HD13 ILE A 93 10.878 -5.492 3.335 1.00 0.00 H new ATOM 1349 N ALA A 94 9.207 -5.552 -2.752 1.00 0.00 N ATOM 1350 CA ALA A 94 8.664 -6.109 -4.032 1.00 0.00 C ATOM 1351 C ALA A 94 9.676 -6.198 -5.227 1.00 0.00 C ATOM 1352 O ALA A 94 9.757 -7.247 -5.873 1.00 0.00 O ATOM 1353 CB ALA A 94 7.397 -5.324 -4.414 1.00 0.00 C ATOM 0 H ALA A 94 8.729 -4.711 -2.428 1.00 0.00 H new ATOM 0 HA ALA A 94 8.430 -7.155 -3.835 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.991 -5.719 -5.345 1.00 0.00 H new ATOM 0 HB2 ALA A 94 6.654 -5.424 -3.623 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.647 -4.271 -4.545 1.00 0.00 H new ATOM 1359 N TYR A 95 10.478 -5.144 -5.483 1.00 0.00 N ATOM 1360 CA TYR A 95 11.658 -5.212 -6.393 1.00 0.00 C ATOM 1361 C TYR A 95 12.697 -6.343 -6.056 1.00 0.00 C ATOM 1362 O TYR A 95 12.951 -7.185 -6.917 1.00 0.00 O ATOM 1363 CB TYR A 95 12.242 -3.770 -6.468 1.00 0.00 C ATOM 1364 CG TYR A 95 13.537 -3.606 -7.277 1.00 0.00 C ATOM 1365 CD1 TYR A 95 13.479 -3.385 -8.651 1.00 0.00 C ATOM 1366 CD2 TYR A 95 14.784 -3.751 -6.658 1.00 0.00 C ATOM 1367 CE1 TYR A 95 14.649 -3.306 -9.404 1.00 0.00 C ATOM 1368 CE2 TYR A 95 15.949 -3.710 -7.417 1.00 0.00 C ATOM 1369 CZ TYR A 95 15.884 -3.469 -8.785 1.00 0.00 C ATOM 1370 OH TYR A 95 17.030 -3.399 -9.528 1.00 0.00 O ATOM 0 H TYR A 95 10.334 -4.222 -5.071 1.00 0.00 H new ATOM 0 HA TYR A 95 11.345 -5.534 -7.386 1.00 0.00 H new ATOM 0 HB2 TYR A 95 11.484 -3.115 -6.898 1.00 0.00 H new ATOM 0 HB3 TYR A 95 12.426 -3.421 -5.452 1.00 0.00 H new ATOM 0 HD1 TYR A 95 12.521 -3.274 -9.136 1.00 0.00 H new ATOM 0 HD2 TYR A 95 14.842 -3.895 -5.589 1.00 0.00 H new ATOM 0 HE1 TYR A 95 14.597 -3.119 -10.466 1.00 0.00 H new ATOM 0 HE2 TYR A 95 16.907 -3.866 -6.943 1.00 0.00 H new ATOM 0 HH TYR A 95 17.708 -2.890 -9.037 1.00 0.00 H new ATOM 1380 N LEU A 96 13.275 -6.392 -4.840 1.00 0.00 N ATOM 1381 CA LEU A 96 14.296 -7.428 -4.466 1.00 0.00 C ATOM 1382 C LEU A 96 13.822 -8.929 -4.438 1.00 0.00 C ATOM 1383 O LEU A 96 14.656 -9.832 -4.552 1.00 0.00 O ATOM 1384 CB LEU A 96 14.971 -7.030 -3.120 1.00 0.00 C ATOM 1385 CG LEU A 96 15.768 -5.697 -3.060 1.00 0.00 C ATOM 1386 CD1 LEU A 96 16.265 -5.427 -1.631 1.00 0.00 C ATOM 1387 CD2 LEU A 96 16.972 -5.665 -4.016 1.00 0.00 C ATOM 0 H LEU A 96 13.062 -5.733 -4.091 1.00 0.00 H new ATOM 0 HA LEU A 96 15.009 -7.417 -5.290 1.00 0.00 H new ATOM 0 HB2 LEU A 96 14.193 -6.986 -2.358 1.00 0.00 H new ATOM 0 HB3 LEU A 96 15.649 -7.835 -2.837 1.00 0.00 H new ATOM 0 HG LEU A 96 15.071 -4.921 -3.376 1.00 0.00 H new ATOM 0 HD11 LEU A 96 16.821 -4.489 -1.610 1.00 0.00 H new ATOM 0 HD12 LEU A 96 15.412 -5.358 -0.956 1.00 0.00 H new ATOM 0 HD13 LEU A 96 16.916 -6.241 -1.312 1.00 0.00 H new ATOM 0 HD21 LEU A 96 17.484 -4.707 -3.924 1.00 0.00 H new ATOM 0 HD22 LEU A 96 17.661 -6.471 -3.761 1.00 0.00 H new ATOM 0 HD23 LEU A 96 16.626 -5.794 -5.041 1.00 0.00 H new ATOM 1399 N GLU A 97 12.508 -9.191 -4.323 1.00 0.00 N ATOM 1400 CA GLU A 97 11.901 -10.526 -4.610 1.00 0.00 C ATOM 1401 C GLU A 97 11.953 -10.984 -6.111 1.00 0.00 C ATOM 1402 O GLU A 97 12.356 -12.120 -6.367 1.00 0.00 O ATOM 1403 CB GLU A 97 10.440 -10.524 -4.071 1.00 0.00 C ATOM 1404 CG GLU A 97 10.319 -10.543 -2.529 1.00 0.00 C ATOM 1405 CD GLU A 97 8.913 -10.275 -2.004 1.00 0.00 C ATOM 1406 OE1 GLU A 97 8.675 -8.940 -1.829 1.00 0.00 O ATOM 1407 OE2 GLU A 97 8.102 -11.162 -1.756 1.00 0.00 O ATOM 0 H GLU A 97 11.827 -8.491 -4.029 1.00 0.00 H new ATOM 0 HA GLU A 97 12.514 -11.267 -4.097 1.00 0.00 H new ATOM 0 HB2 GLU A 97 9.928 -9.640 -4.451 1.00 0.00 H new ATOM 0 HB3 GLU A 97 9.918 -11.392 -4.473 1.00 0.00 H new ATOM 0 HG2 GLU A 97 10.651 -11.514 -2.163 1.00 0.00 H new ATOM 0 HG3 GLU A 97 10.997 -9.797 -2.114 1.00 0.00 H new