USER MOD reduce.3.24.130724 H: found=0, std=0, add=690, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 688 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 75 SER OG : rot -86:sc= 0.459 USER MOD Set 1.2: A 77 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 46 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 49 THR OG1 : rot 180:sc= -0.283 USER MOD Set 3.1: A 35 ASN : amide:sc= 0.83 K(o=2.3,f=-6.4!) USER MOD Set 3.2: A 42 GLN : amide:sc= 1.45 K(o=2.3,f=-0.38) USER MOD Single : A 1 GLY N :NH3+ -104:sc= 0.0355 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= -4.16! X(o=-4.2!,f=-3.7) USER MOD Single : A 22 GLN : amide:sc= -0.0351 K(o=-0.035,f=-1.1) USER MOD Single : A 32 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.024 K(o=-0.024,f=-2.8!) USER MOD Single : A 52 THR OG1 : rot -71:sc= 0.497 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 61 SER OG : rot 180:sc= -0.163 USER MOD Single : A 66 SER OG : rot -95:sc= 0.0209 USER MOD Single : A 69 TYR OH : rot -43:sc= 1.16 USER MOD Single : A 73 THR OG1 : rot -170:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 35:sc= 0.23 USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.0393 USER MOD Single : A 82 THR OG1 : rot 102:sc= 1.4 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 17:sc= 0.542 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.581 19.872 -16.473 1.00 0.00 N ATOM 2 CA GLY A 1 15.919 18.838 -15.513 1.00 0.00 C ATOM 3 C GLY A 1 14.990 17.643 -15.597 1.00 0.00 C ATOM 4 O GLY A 1 13.833 17.774 -15.997 1.00 0.00 O ATOM 0 H1 GLY A 1 16.258 19.848 -17.262 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.620 19.708 -16.836 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.622 20.802 -16.010 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.944 18.510 -15.683 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.880 19.254 -14.506 1.00 0.00 H new ATOM 8 N SER A 2 15.497 16.473 -15.220 1.00 0.00 N ATOM 9 CA SER A 2 14.706 15.249 -15.259 1.00 0.00 C ATOM 10 C SER A 2 14.659 14.588 -13.885 1.00 0.00 C ATOM 11 O SER A 2 13.588 14.247 -13.384 1.00 0.00 O ATOM 12 CB SER A 2 15.286 14.275 -16.287 1.00 0.00 C ATOM 13 OG SER A 2 14.474 13.120 -16.409 1.00 0.00 O ATOM 0 H SER A 2 16.452 16.347 -14.884 1.00 0.00 H new ATOM 0 HA SER A 2 13.689 15.512 -15.551 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.369 14.769 -17.255 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.294 13.985 -15.990 1.00 0.00 H new ATOM 0 HG SER A 2 14.865 12.514 -17.073 1.00 0.00 H new ATOM 19 N SER A 3 15.829 14.410 -13.281 1.00 0.00 N ATOM 20 CA SER A 3 15.924 13.787 -11.966 1.00 0.00 C ATOM 21 C SER A 3 15.178 14.609 -10.920 1.00 0.00 C ATOM 22 O SER A 3 15.714 15.573 -10.374 1.00 0.00 O ATOM 23 CB SER A 3 17.390 13.629 -11.557 1.00 0.00 C ATOM 24 OG SER A 3 17.510 12.841 -10.386 1.00 0.00 O ATOM 0 H SER A 3 16.725 14.688 -13.681 1.00 0.00 H new ATOM 0 HA SER A 3 15.463 12.801 -12.025 1.00 0.00 H new ATOM 0 HB2 SER A 3 17.950 13.166 -12.370 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.831 14.611 -11.385 1.00 0.00 H new ATOM 0 HG SER A 3 18.456 12.754 -10.146 1.00 0.00 H new ATOM 30 N GLY A 4 13.937 14.221 -10.645 1.00 0.00 N ATOM 31 CA GLY A 4 13.137 14.932 -9.665 1.00 0.00 C ATOM 32 C GLY A 4 13.782 14.953 -8.294 1.00 0.00 C ATOM 33 O GLY A 4 14.199 16.006 -7.812 1.00 0.00 O ATOM 0 H GLY A 4 13.471 13.427 -11.083 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.978 15.956 -10.004 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.155 14.464 -9.594 1.00 0.00 H new ATOM 37 N SER A 5 13.864 13.786 -7.662 1.00 0.00 N ATOM 38 CA SER A 5 14.459 13.675 -6.335 1.00 0.00 C ATOM 39 C SER A 5 15.275 12.393 -6.211 1.00 0.00 C ATOM 40 O SER A 5 14.757 11.293 -6.404 1.00 0.00 O ATOM 41 CB SER A 5 13.369 13.706 -5.261 1.00 0.00 C ATOM 42 OG SER A 5 13.925 13.937 -3.978 1.00 0.00 O ATOM 0 H SER A 5 13.526 12.904 -8.048 1.00 0.00 H new ATOM 0 HA SER A 5 15.126 14.524 -6.190 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.646 14.488 -5.494 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.827 12.761 -5.261 1.00 0.00 H new ATOM 0 HG SER A 5 13.209 13.954 -3.309 1.00 0.00 H new ATOM 48 N SER A 6 16.556 12.543 -5.888 1.00 0.00 N ATOM 49 CA SER A 6 17.446 11.397 -5.741 1.00 0.00 C ATOM 50 C SER A 6 17.362 10.821 -4.331 1.00 0.00 C ATOM 51 O SER A 6 17.377 11.557 -3.346 1.00 0.00 O ATOM 52 CB SER A 6 18.888 11.802 -6.054 1.00 0.00 C ATOM 53 OG SER A 6 19.126 11.804 -7.451 1.00 0.00 O ATOM 0 H SER A 6 17.000 13.446 -5.723 1.00 0.00 H new ATOM 0 HA SER A 6 17.130 10.629 -6.447 1.00 0.00 H new ATOM 0 HB2 SER A 6 19.087 12.793 -5.647 1.00 0.00 H new ATOM 0 HB3 SER A 6 19.577 11.113 -5.566 1.00 0.00 H new ATOM 0 HG SER A 6 20.054 12.068 -7.624 1.00 0.00 H new ATOM 59 N GLY A 7 17.274 9.497 -4.244 1.00 0.00 N ATOM 60 CA GLY A 7 17.189 8.843 -2.951 1.00 0.00 C ATOM 61 C GLY A 7 15.929 9.215 -2.195 1.00 0.00 C ATOM 62 O GLY A 7 15.547 10.384 -2.149 1.00 0.00 O ATOM 0 H GLY A 7 17.260 8.866 -5.045 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.219 7.762 -3.091 1.00 0.00 H new ATOM 0 HA3 GLY A 7 18.060 9.111 -2.353 1.00 0.00 H new ATOM 66 N VAL A 8 15.281 8.218 -1.602 1.00 0.00 N ATOM 67 CA VAL A 8 14.056 8.446 -0.844 1.00 0.00 C ATOM 68 C VAL A 8 13.981 7.525 0.369 1.00 0.00 C ATOM 69 O VAL A 8 14.810 6.631 0.534 1.00 0.00 O ATOM 70 CB VAL A 8 12.807 8.229 -1.718 1.00 0.00 C ATOM 71 CG1 VAL A 8 12.793 9.207 -2.883 1.00 0.00 C ATOM 72 CG2 VAL A 8 12.749 6.793 -2.217 1.00 0.00 C ATOM 0 H VAL A 8 15.584 7.244 -1.632 1.00 0.00 H new ATOM 0 HA VAL A 8 14.079 9.483 -0.508 1.00 0.00 H new ATOM 0 HB VAL A 8 11.922 8.414 -1.109 1.00 0.00 H new ATOM 0 HG11 VAL A 8 11.903 9.038 -3.489 1.00 0.00 H new ATOM 0 HG12 VAL A 8 12.784 10.228 -2.501 1.00 0.00 H new ATOM 0 HG13 VAL A 8 13.682 9.057 -3.495 1.00 0.00 H new ATOM 0 HG21 VAL A 8 11.860 6.657 -2.833 1.00 0.00 H new ATOM 0 HG22 VAL A 8 13.638 6.578 -2.810 1.00 0.00 H new ATOM 0 HG23 VAL A 8 12.708 6.113 -1.366 1.00 0.00 H new ATOM 82 N GLU A 9 12.980 7.751 1.214 1.00 0.00 N ATOM 83 CA GLU A 9 12.797 6.941 2.413 1.00 0.00 C ATOM 84 C GLU A 9 11.819 5.799 2.154 1.00 0.00 C ATOM 85 O GLU A 9 10.637 6.026 1.896 1.00 0.00 O ATOM 86 CB GLU A 9 12.292 7.808 3.569 1.00 0.00 C ATOM 87 CG GLU A 9 10.930 8.430 3.312 1.00 0.00 C ATOM 88 CD GLU A 9 10.701 9.689 4.127 1.00 0.00 C ATOM 89 OE1 GLU A 9 11.031 9.683 5.331 1.00 0.00 O ATOM 90 OE2 GLU A 9 10.191 10.678 3.561 1.00 0.00 O ATOM 0 H GLU A 9 12.284 8.487 1.091 1.00 0.00 H new ATOM 0 HA GLU A 9 13.763 6.515 2.683 1.00 0.00 H new ATOM 0 HB2 GLU A 9 12.240 7.200 4.472 1.00 0.00 H new ATOM 0 HB3 GLU A 9 13.015 8.602 3.760 1.00 0.00 H new ATOM 0 HG2 GLU A 9 10.836 8.666 2.252 1.00 0.00 H new ATOM 0 HG3 GLU A 9 10.152 7.703 3.547 1.00 0.00 H new ATOM 97 N VAL A 10 12.321 4.570 2.224 1.00 0.00 N ATOM 98 CA VAL A 10 11.493 3.392 1.998 1.00 0.00 C ATOM 99 C VAL A 10 11.347 2.569 3.273 1.00 0.00 C ATOM 100 O VAL A 10 12.231 1.787 3.622 1.00 0.00 O ATOM 101 CB VAL A 10 12.078 2.499 0.888 1.00 0.00 C ATOM 102 CG1 VAL A 10 11.234 1.247 0.708 1.00 0.00 C ATOM 103 CG2 VAL A 10 12.183 3.273 -0.418 1.00 0.00 C ATOM 0 H VAL A 10 13.297 4.365 2.436 1.00 0.00 H new ATOM 0 HA VAL A 10 10.512 3.751 1.686 1.00 0.00 H new ATOM 0 HB VAL A 10 13.081 2.192 1.184 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.663 0.629 -0.081 1.00 0.00 H new ATOM 0 HG12 VAL A 10 11.215 0.684 1.641 1.00 0.00 H new ATOM 0 HG13 VAL A 10 10.217 1.530 0.434 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.598 2.627 -1.191 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.192 3.611 -0.721 1.00 0.00 H new ATOM 0 HG23 VAL A 10 12.834 4.136 -0.278 1.00 0.00 H new ATOM 113 N GLU A 11 10.227 2.751 3.964 1.00 0.00 N ATOM 114 CA GLU A 11 9.966 2.025 5.202 1.00 0.00 C ATOM 115 C GLU A 11 9.874 0.524 4.943 1.00 0.00 C ATOM 116 O GLU A 11 8.999 0.063 4.211 1.00 0.00 O ATOM 117 CB GLU A 11 8.672 2.523 5.848 1.00 0.00 C ATOM 118 CG GLU A 11 8.663 2.404 7.363 1.00 0.00 C ATOM 119 CD GLU A 11 7.673 3.347 8.017 1.00 0.00 C ATOM 120 OE1 GLU A 11 7.663 4.542 7.653 1.00 0.00 O ATOM 121 OE2 GLU A 11 6.907 2.892 8.892 1.00 0.00 O ATOM 0 H GLU A 11 9.485 3.395 3.688 1.00 0.00 H new ATOM 0 HA GLU A 11 10.797 2.208 5.883 1.00 0.00 H new ATOM 0 HB2 GLU A 11 8.517 3.566 5.573 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.833 1.958 5.443 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.420 1.378 7.642 1.00 0.00 H new ATOM 0 HG3 GLU A 11 9.663 2.610 7.746 1.00 0.00 H new ATOM 128 N SER A 12 10.784 -0.232 5.548 1.00 0.00 N ATOM 129 CA SER A 12 10.809 -1.680 5.381 1.00 0.00 C ATOM 130 C SER A 12 9.849 -2.356 6.355 1.00 0.00 C ATOM 131 O SER A 12 9.639 -1.878 7.470 1.00 0.00 O ATOM 132 CB SER A 12 12.227 -2.214 5.590 1.00 0.00 C ATOM 133 OG SER A 12 12.204 -3.548 6.069 1.00 0.00 O ATOM 0 H SER A 12 11.514 0.135 6.159 1.00 0.00 H new ATOM 0 HA SER A 12 10.488 -1.910 4.365 1.00 0.00 H new ATOM 0 HB2 SER A 12 12.777 -2.171 4.650 1.00 0.00 H new ATOM 0 HB3 SER A 12 12.757 -1.579 6.299 1.00 0.00 H new ATOM 0 HG SER A 12 13.122 -3.867 6.193 1.00 0.00 H new ATOM 139 N PHE A 13 9.270 -3.473 5.925 1.00 0.00 N ATOM 140 CA PHE A 13 8.331 -4.216 6.758 1.00 0.00 C ATOM 141 C PHE A 13 8.497 -5.719 6.557 1.00 0.00 C ATOM 142 O PHE A 13 9.054 -6.164 5.552 1.00 0.00 O ATOM 143 CB PHE A 13 6.893 -3.802 6.436 1.00 0.00 C ATOM 144 CG PHE A 13 6.466 -2.537 7.123 1.00 0.00 C ATOM 145 CD1 PHE A 13 6.751 -1.301 6.566 1.00 0.00 C ATOM 146 CD2 PHE A 13 5.777 -2.583 8.324 1.00 0.00 C ATOM 147 CE1 PHE A 13 6.359 -0.135 7.196 1.00 0.00 C ATOM 148 CE2 PHE A 13 5.383 -1.420 8.959 1.00 0.00 C ATOM 149 CZ PHE A 13 5.673 -0.194 8.393 1.00 0.00 C ATOM 0 H PHE A 13 9.434 -3.883 5.006 1.00 0.00 H new ATOM 0 HA PHE A 13 8.544 -3.981 7.801 1.00 0.00 H new ATOM 0 HB2 PHE A 13 6.793 -3.672 5.358 1.00 0.00 H new ATOM 0 HB3 PHE A 13 6.218 -4.608 6.724 1.00 0.00 H new ATOM 0 HD1 PHE A 13 7.285 -1.248 5.629 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.545 -3.539 8.770 1.00 0.00 H new ATOM 0 HE1 PHE A 13 6.589 0.822 6.752 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.849 -1.470 9.896 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.364 0.716 8.885 1.00 0.00 H new ATOM 159 N LEU A 14 8.012 -6.496 7.518 1.00 0.00 N ATOM 160 CA LEU A 14 8.106 -7.950 7.448 1.00 0.00 C ATOM 161 C LEU A 14 6.960 -8.607 8.210 1.00 0.00 C ATOM 162 O LEU A 14 6.771 -8.362 9.402 1.00 0.00 O ATOM 163 CB LEU A 14 9.447 -8.422 8.014 1.00 0.00 C ATOM 164 CG LEU A 14 9.753 -9.912 7.862 1.00 0.00 C ATOM 165 CD1 LEU A 14 8.662 -10.749 8.511 1.00 0.00 C ATOM 166 CD2 LEU A 14 9.906 -10.278 6.393 1.00 0.00 C ATOM 0 H LEU A 14 7.549 -6.144 8.356 1.00 0.00 H new ATOM 0 HA LEU A 14 8.037 -8.244 6.401 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.243 -7.857 7.528 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.479 -8.171 9.074 1.00 0.00 H new ATOM 0 HG LEU A 14 10.695 -10.124 8.368 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.896 -11.807 8.393 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.600 -10.507 9.572 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.706 -10.534 8.034 1.00 0.00 H new ATOM 0 HD21 LEU A 14 10.124 -11.342 6.304 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.981 -10.051 5.863 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.723 -9.703 5.958 1.00 0.00 H new ATOM 178 N VAL A 15 6.198 -9.446 7.515 1.00 0.00 N ATOM 179 CA VAL A 15 5.072 -10.142 8.126 1.00 0.00 C ATOM 180 C VAL A 15 4.945 -11.562 7.586 1.00 0.00 C ATOM 181 O VAL A 15 5.785 -12.021 6.811 1.00 0.00 O ATOM 182 CB VAL A 15 3.750 -9.392 7.883 1.00 0.00 C ATOM 183 CG1 VAL A 15 3.793 -8.013 8.524 1.00 0.00 C ATOM 184 CG2 VAL A 15 3.462 -9.287 6.393 1.00 0.00 C ATOM 0 H VAL A 15 6.340 -9.660 6.528 1.00 0.00 H new ATOM 0 HA VAL A 15 5.267 -10.180 9.198 1.00 0.00 H new ATOM 0 HB VAL A 15 2.942 -9.958 8.347 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.850 -7.498 8.342 1.00 0.00 H new ATOM 0 HG12 VAL A 15 3.949 -8.116 9.598 1.00 0.00 H new ATOM 0 HG13 VAL A 15 4.611 -7.436 8.092 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.524 -8.754 6.240 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.271 -8.745 5.903 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.385 -10.287 5.966 1.00 0.00 H new ATOM 194 N HIS A 16 3.888 -12.254 7.999 1.00 0.00 N ATOM 195 CA HIS A 16 3.650 -13.623 7.556 1.00 0.00 C ATOM 196 C HIS A 16 2.206 -13.800 7.093 1.00 0.00 C ATOM 197 O HIS A 16 1.355 -12.934 7.291 1.00 0.00 O ATOM 198 CB HIS A 16 3.961 -14.608 8.682 1.00 0.00 C ATOM 199 CG HIS A 16 2.746 -15.280 9.244 1.00 0.00 C ATOM 200 ND1 HIS A 16 2.641 -16.647 9.389 1.00 0.00 N ATOM 201 CD2 HIS A 16 1.580 -14.765 9.699 1.00 0.00 C ATOM 202 CE1 HIS A 16 1.463 -16.944 9.907 1.00 0.00 C ATOM 203 NE2 HIS A 16 0.800 -15.819 10.105 1.00 0.00 N ATOM 0 H HIS A 16 3.183 -11.889 8.640 1.00 0.00 H new ATOM 0 HA HIS A 16 4.311 -13.826 6.714 1.00 0.00 H new ATOM 0 HB2 HIS A 16 4.647 -15.369 8.309 1.00 0.00 H new ATOM 0 HB3 HIS A 16 4.477 -14.079 9.484 1.00 0.00 H new ATOM 0 HD2 HIS A 16 1.313 -13.719 9.736 1.00 0.00 H new ATOM 0 HE1 HIS A 16 1.103 -17.937 10.131 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -0.139 -15.745 10.496 1.00 0.00 H new ATOM 212 N PRO A 17 1.924 -14.950 6.462 1.00 0.00 N ATOM 213 CA PRO A 17 0.584 -15.267 5.958 1.00 0.00 C ATOM 214 C PRO A 17 -0.412 -15.527 7.083 1.00 0.00 C ATOM 215 O PRO A 17 -0.469 -16.625 7.634 1.00 0.00 O ATOM 216 CB PRO A 17 0.807 -16.540 5.137 1.00 0.00 C ATOM 217 CG PRO A 17 2.022 -17.165 5.729 1.00 0.00 C ATOM 218 CD PRO A 17 2.890 -16.027 6.191 1.00 0.00 C ATOM 0 HA PRO A 17 0.158 -14.443 5.386 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -0.052 -17.208 5.200 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.954 -16.310 4.082 1.00 0.00 H new ATOM 0 HG2 PRO A 17 1.759 -17.818 6.561 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.542 -17.779 4.994 1.00 0.00 H new ATOM 0 HD2 PRO A 17 3.458 -16.291 7.083 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.612 -15.737 5.428 1.00 0.00 H new ATOM 226 N GLY A 18 -1.196 -14.507 7.420 1.00 0.00 N ATOM 227 CA GLY A 18 -2.180 -14.646 8.478 1.00 0.00 C ATOM 228 C GLY A 18 -2.113 -13.514 9.484 1.00 0.00 C ATOM 229 O GLY A 18 -2.963 -13.409 10.368 1.00 0.00 O ATOM 0 H GLY A 18 -1.167 -13.587 6.979 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.178 -14.680 8.040 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.025 -15.595 8.992 1.00 0.00 H new ATOM 233 N ASP A 19 -1.099 -12.666 9.351 1.00 0.00 N ATOM 234 CA ASP A 19 -0.923 -11.536 10.256 1.00 0.00 C ATOM 235 C ASP A 19 -1.676 -10.310 9.748 1.00 0.00 C ATOM 236 O ASP A 19 -2.405 -10.383 8.758 1.00 0.00 O ATOM 237 CB ASP A 19 0.562 -11.208 10.416 1.00 0.00 C ATOM 238 CG ASP A 19 1.208 -11.985 11.546 1.00 0.00 C ATOM 239 OD1 ASP A 19 0.535 -12.865 12.123 1.00 0.00 O ATOM 240 OD2 ASP A 19 2.388 -11.714 11.853 1.00 0.00 O ATOM 0 H ASP A 19 -0.386 -12.740 8.625 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.331 -11.814 11.227 1.00 0.00 H new ATOM 0 HB2 ASP A 19 1.082 -11.428 9.484 1.00 0.00 H new ATOM 0 HB3 ASP A 19 0.677 -10.140 10.601 1.00 0.00 H new ATOM 245 N LEU A 20 -1.495 -9.186 10.431 1.00 0.00 N ATOM 246 CA LEU A 20 -2.157 -7.943 10.050 1.00 0.00 C ATOM 247 C LEU A 20 -1.153 -6.941 9.489 1.00 0.00 C ATOM 248 O LEU A 20 -0.329 -6.394 10.223 1.00 0.00 O ATOM 249 CB LEU A 20 -2.881 -7.338 11.254 1.00 0.00 C ATOM 250 CG LEU A 20 -3.708 -6.082 10.977 1.00 0.00 C ATOM 251 CD1 LEU A 20 -4.882 -6.405 10.065 1.00 0.00 C ATOM 252 CD2 LEU A 20 -4.197 -5.467 12.281 1.00 0.00 C ATOM 0 H LEU A 20 -0.895 -9.109 11.252 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.886 -8.172 9.273 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.540 -8.097 11.676 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.140 -7.100 12.017 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.071 -5.356 10.472 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.459 -5.499 9.879 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.510 -6.799 9.119 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.519 -7.149 10.542 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.784 -4.574 12.065 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.817 -6.188 12.814 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.341 -5.198 12.900 1.00 0.00 H new ATOM 264 N LEU A 21 -1.229 -6.703 8.184 1.00 0.00 N ATOM 265 CA LEU A 21 -0.329 -5.764 7.524 1.00 0.00 C ATOM 266 C LEU A 21 -0.816 -4.329 7.697 1.00 0.00 C ATOM 267 O LEU A 21 -1.779 -3.910 7.055 1.00 0.00 O ATOM 268 CB LEU A 21 -0.211 -6.100 6.036 1.00 0.00 C ATOM 269 CG LEU A 21 0.658 -5.158 5.202 1.00 0.00 C ATOM 270 CD1 LEU A 21 2.105 -5.216 5.667 1.00 0.00 C ATOM 271 CD2 LEU A 21 0.556 -5.507 3.724 1.00 0.00 C ATOM 0 H LEU A 21 -1.905 -7.147 7.562 1.00 0.00 H new ATOM 0 HA LEU A 21 0.653 -5.853 7.989 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.189 -7.109 5.943 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.213 -6.114 5.607 1.00 0.00 H new ATOM 0 HG LEU A 21 0.294 -4.140 5.340 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.709 -4.539 5.062 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.163 -4.917 6.714 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.481 -6.233 5.559 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.181 -4.826 3.146 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.894 -6.531 3.568 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.480 -5.413 3.399 1.00 0.00 H new ATOM 283 N GLN A 22 -0.143 -3.582 8.565 1.00 0.00 N ATOM 284 CA GLN A 22 -0.508 -2.193 8.820 1.00 0.00 C ATOM 285 C GLN A 22 0.550 -1.243 8.269 1.00 0.00 C ATOM 286 O GLN A 22 1.749 -1.462 8.445 1.00 0.00 O ATOM 287 CB GLN A 22 -0.689 -1.958 10.321 1.00 0.00 C ATOM 288 CG GLN A 22 -2.053 -2.381 10.843 1.00 0.00 C ATOM 289 CD GLN A 22 -2.368 -1.787 12.201 1.00 0.00 C ATOM 290 OE1 GLN A 22 -1.526 -1.132 12.816 1.00 0.00 O ATOM 291 NE2 GLN A 22 -3.587 -2.011 12.677 1.00 0.00 N ATOM 0 H GLN A 22 0.657 -3.914 9.103 1.00 0.00 H new ATOM 0 HA GLN A 22 -1.451 -1.992 8.312 1.00 0.00 H new ATOM 0 HB2 GLN A 22 0.083 -2.505 10.862 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -0.539 -0.900 10.535 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -2.820 -2.077 10.131 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -2.091 -3.468 10.909 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -4.254 -2.559 12.134 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -3.857 -1.635 13.586 1.00 0.00 H new ATOM 300 N LEU A 23 0.099 -0.186 7.602 1.00 0.00 N ATOM 301 CA LEU A 23 1.007 0.799 7.024 1.00 0.00 C ATOM 302 C LEU A 23 0.627 2.211 7.459 1.00 0.00 C ATOM 303 O LEU A 23 -0.411 2.419 8.087 1.00 0.00 O ATOM 304 CB LEU A 23 0.992 0.701 5.498 1.00 0.00 C ATOM 305 CG LEU A 23 1.528 -0.601 4.903 1.00 0.00 C ATOM 306 CD1 LEU A 23 1.505 -0.544 3.384 1.00 0.00 C ATOM 307 CD2 LEU A 23 2.938 -0.877 5.406 1.00 0.00 C ATOM 0 H LEU A 23 -0.890 0.011 7.448 1.00 0.00 H new ATOM 0 HA LEU A 23 2.013 0.586 7.385 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.034 0.838 5.155 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.576 1.528 5.095 1.00 0.00 H new ATOM 0 HG LEU A 23 0.882 -1.417 5.225 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.890 -1.480 2.979 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.481 -0.394 3.041 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.127 0.283 3.041 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.303 -1.808 4.972 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.595 -0.058 5.114 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.926 -0.963 6.493 1.00 0.00 H new ATOM 319 N ARG A 24 1.473 3.177 7.118 1.00 0.00 N ATOM 320 CA ARG A 24 1.226 4.569 7.472 1.00 0.00 C ATOM 321 C ARG A 24 1.863 5.511 6.455 1.00 0.00 C ATOM 322 O ARG A 24 2.978 5.276 5.989 1.00 0.00 O ATOM 323 CB ARG A 24 1.771 4.867 8.870 1.00 0.00 C ATOM 324 CG ARG A 24 1.113 6.063 9.539 1.00 0.00 C ATOM 325 CD ARG A 24 1.482 6.151 11.011 1.00 0.00 C ATOM 326 NE ARG A 24 2.899 6.445 11.204 1.00 0.00 N ATOM 327 CZ ARG A 24 3.530 6.298 12.363 1.00 0.00 C ATOM 328 NH1 ARG A 24 2.872 5.861 13.429 1.00 0.00 N ATOM 329 NH2 ARG A 24 4.822 6.587 12.459 1.00 0.00 N ATOM 0 H ARG A 24 2.336 3.021 6.597 1.00 0.00 H new ATOM 0 HA ARG A 24 0.148 4.732 7.467 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.633 3.988 9.499 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.844 5.045 8.802 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.417 6.978 9.031 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.030 5.988 9.438 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.883 6.926 11.489 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.237 5.210 11.503 1.00 0.00 H new ATOM 0 HE ARG A 24 3.434 6.782 10.404 1.00 0.00 H new ATOM 0 HH11 ARG A 24 1.879 5.637 13.359 1.00 0.00 H new ATOM 0 HH12 ARG A 24 3.359 5.749 14.318 1.00 0.00 H new ATOM 0 HH21 ARG A 24 5.332 6.923 11.642 1.00 0.00 H new ATOM 0 HH22 ARG A 24 5.305 6.474 13.350 1.00 0.00 H new ATOM 343 N CYS A 25 1.147 6.577 6.113 1.00 0.00 N ATOM 344 CA CYS A 25 1.641 7.554 5.151 1.00 0.00 C ATOM 345 C CYS A 25 1.946 8.884 5.833 1.00 0.00 C ATOM 346 O CYS A 25 1.262 9.281 6.777 1.00 0.00 O ATOM 347 CB CYS A 25 0.616 7.764 4.034 1.00 0.00 C ATOM 348 SG CYS A 25 1.129 8.973 2.772 1.00 0.00 S ATOM 0 H CYS A 25 0.222 6.786 6.488 1.00 0.00 H new ATOM 0 HA CYS A 25 2.565 7.167 4.720 1.00 0.00 H new ATOM 0 HB2 CYS A 25 0.423 6.808 3.548 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.325 8.093 4.476 1.00 0.00 H new ATOM 353 N ARG A 26 2.976 9.569 5.348 1.00 0.00 N ATOM 354 CA ARG A 26 3.373 10.854 5.911 1.00 0.00 C ATOM 355 C ARG A 26 2.479 11.976 5.389 1.00 0.00 C ATOM 356 O ARG A 26 2.448 12.251 4.189 1.00 0.00 O ATOM 357 CB ARG A 26 4.835 11.154 5.575 1.00 0.00 C ATOM 358 CG ARG A 26 5.822 10.553 6.562 1.00 0.00 C ATOM 359 CD ARG A 26 7.246 10.997 6.265 1.00 0.00 C ATOM 360 NE ARG A 26 8.124 10.826 7.420 1.00 0.00 N ATOM 361 CZ ARG A 26 8.543 9.643 7.856 1.00 0.00 C ATOM 362 NH1 ARG A 26 8.166 8.533 7.237 1.00 0.00 N ATOM 363 NH2 ARG A 26 9.341 9.569 8.913 1.00 0.00 N ATOM 0 H ARG A 26 3.551 9.256 4.566 1.00 0.00 H new ATOM 0 HA ARG A 26 3.261 10.797 6.994 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.055 10.774 4.577 1.00 0.00 H new ATOM 0 HB3 ARG A 26 4.978 12.234 5.544 1.00 0.00 H new ATOM 0 HG2 ARG A 26 5.551 10.849 7.575 1.00 0.00 H new ATOM 0 HG3 ARG A 26 5.763 9.465 6.521 1.00 0.00 H new ATOM 0 HD2 ARG A 26 7.637 10.424 5.424 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.244 12.044 5.963 1.00 0.00 H new ATOM 0 HE ARG A 26 8.432 11.660 7.919 1.00 0.00 H new ATOM 0 HH11 ARG A 26 7.553 8.586 6.424 1.00 0.00 H new ATOM 0 HH12 ARG A 26 8.489 7.626 7.574 1.00 0.00 H new ATOM 0 HH21 ARG A 26 9.633 10.421 9.392 1.00 0.00 H new ATOM 0 HH22 ARG A 26 9.662 8.660 9.247 1.00 0.00 H new ATOM 377 N LEU A 27 1.754 12.619 6.297 1.00 0.00 N ATOM 378 CA LEU A 27 0.859 13.710 5.929 1.00 0.00 C ATOM 379 C LEU A 27 1.330 15.029 6.535 1.00 0.00 C ATOM 380 O LEU A 27 2.331 15.072 7.250 1.00 0.00 O ATOM 381 CB LEU A 27 -0.567 13.405 6.389 1.00 0.00 C ATOM 382 CG LEU A 27 -1.257 12.227 5.700 1.00 0.00 C ATOM 383 CD1 LEU A 27 -2.721 12.155 6.103 1.00 0.00 C ATOM 384 CD2 LEU A 27 -1.123 12.341 4.188 1.00 0.00 C ATOM 0 H LEU A 27 1.768 12.404 7.294 1.00 0.00 H new ATOM 0 HA LEU A 27 0.871 13.805 4.843 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.548 13.212 7.462 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.175 14.296 6.236 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.768 11.307 6.020 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.195 11.311 5.603 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.795 12.025 7.183 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.224 13.077 5.813 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.620 11.494 3.714 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.585 13.269 3.851 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.068 12.342 3.915 1.00 0.00 H new ATOM 396 N ARG A 28 0.600 16.101 6.245 1.00 0.00 N ATOM 397 CA ARG A 28 0.942 17.420 6.763 1.00 0.00 C ATOM 398 C ARG A 28 -0.294 18.312 6.839 1.00 0.00 C ATOM 399 O ARG A 28 -1.360 17.956 6.337 1.00 0.00 O ATOM 400 CB ARG A 28 2.005 18.078 5.880 1.00 0.00 C ATOM 401 CG ARG A 28 1.611 18.165 4.415 1.00 0.00 C ATOM 402 CD ARG A 28 2.832 18.175 3.509 1.00 0.00 C ATOM 403 NE ARG A 28 3.359 19.523 3.315 1.00 0.00 N ATOM 404 CZ ARG A 28 4.260 20.083 4.115 1.00 0.00 C ATOM 405 NH1 ARG A 28 4.732 19.413 5.157 1.00 0.00 N ATOM 406 NH2 ARG A 28 4.690 21.314 3.872 1.00 0.00 N ATOM 0 H ARG A 28 -0.231 16.082 5.654 1.00 0.00 H new ATOM 0 HA ARG A 28 1.341 17.295 7.770 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.205 19.082 6.254 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.935 17.515 5.965 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.973 17.319 4.158 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.025 19.069 4.248 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.608 17.541 3.939 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.569 17.746 2.542 1.00 0.00 H new ATOM 0 HE ARG A 28 3.016 20.065 2.521 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.404 18.466 5.346 1.00 0.00 H new ATOM 0 HH12 ARG A 28 5.424 19.845 5.770 1.00 0.00 H new ATOM 0 HH21 ARG A 28 4.329 21.831 3.071 1.00 0.00 H new ATOM 0 HH22 ARG A 28 5.382 21.743 4.487 1.00 0.00 H new ATOM 420 N ASP A 29 -0.143 19.471 7.469 1.00 0.00 N ATOM 421 CA ASP A 29 -1.246 20.414 7.611 1.00 0.00 C ATOM 422 C ASP A 29 -1.637 21.000 6.258 1.00 0.00 C ATOM 423 O ASP A 29 -2.577 21.790 6.160 1.00 0.00 O ATOM 424 CB ASP A 29 -0.865 21.537 8.577 1.00 0.00 C ATOM 425 CG ASP A 29 -2.047 22.031 9.387 1.00 0.00 C ATOM 426 OD1 ASP A 29 -3.189 21.927 8.893 1.00 0.00 O ATOM 427 OD2 ASP A 29 -1.830 22.522 10.515 1.00 0.00 O ATOM 0 H ASP A 29 0.733 19.781 7.890 1.00 0.00 H new ATOM 0 HA ASP A 29 -2.103 19.875 8.014 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -0.088 21.182 9.254 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -0.442 22.369 8.014 1.00 0.00 H new ATOM 432 N ASP A 30 -0.909 20.610 5.218 1.00 0.00 N ATOM 433 CA ASP A 30 -1.179 21.097 3.870 1.00 0.00 C ATOM 434 C ASP A 30 -1.845 20.016 3.025 1.00 0.00 C ATOM 435 O ASP A 30 -2.708 20.305 2.196 1.00 0.00 O ATOM 436 CB ASP A 30 0.117 21.558 3.201 1.00 0.00 C ATOM 437 CG ASP A 30 1.060 22.239 4.174 1.00 0.00 C ATOM 438 OD1 ASP A 30 0.767 23.382 4.581 1.00 0.00 O ATOM 439 OD2 ASP A 30 2.091 21.629 4.527 1.00 0.00 O ATOM 0 H ASP A 30 -0.127 19.958 5.282 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.860 21.945 3.947 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.618 20.699 2.755 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.121 22.245 2.389 1.00 0.00 H new ATOM 444 N VAL A 31 -1.438 18.769 3.240 1.00 0.00 N ATOM 445 CA VAL A 31 -1.995 17.644 2.499 1.00 0.00 C ATOM 446 C VAL A 31 -3.493 17.821 2.274 1.00 0.00 C ATOM 447 O VAL A 31 -4.215 18.269 3.164 1.00 0.00 O ATOM 448 CB VAL A 31 -1.752 16.312 3.233 1.00 0.00 C ATOM 449 CG1 VAL A 31 -2.803 15.285 2.839 1.00 0.00 C ATOM 450 CG2 VAL A 31 -0.352 15.793 2.944 1.00 0.00 C ATOM 0 H VAL A 31 -0.724 18.512 3.922 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.486 17.618 1.535 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.835 16.488 4.306 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.615 14.351 3.368 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.793 15.658 3.102 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.755 15.110 1.764 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.197 14.851 3.470 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.238 15.632 1.872 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.384 16.523 3.282 1.00 0.00 H new ATOM 460 N GLN A 32 -3.952 17.467 1.078 1.00 0.00 N ATOM 461 CA GLN A 32 -5.364 17.587 0.737 1.00 0.00 C ATOM 462 C GLN A 32 -5.969 16.221 0.430 1.00 0.00 C ATOM 463 O GLN A 32 -7.155 15.989 0.664 1.00 0.00 O ATOM 464 CB GLN A 32 -5.542 18.518 -0.464 1.00 0.00 C ATOM 465 CG GLN A 32 -5.080 19.943 -0.204 1.00 0.00 C ATOM 466 CD GLN A 32 -6.049 20.721 0.663 1.00 0.00 C ATOM 467 OE1 GLN A 32 -7.095 20.207 1.061 1.00 0.00 O ATOM 468 NE2 GLN A 32 -5.706 21.969 0.962 1.00 0.00 N ATOM 0 H GLN A 32 -3.367 17.095 0.330 1.00 0.00 H new ATOM 0 HA GLN A 32 -5.885 18.009 1.597 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -4.988 18.114 -1.311 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.594 18.532 -0.749 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -4.103 19.922 0.279 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -4.954 20.460 -1.156 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -4.830 22.355 0.611 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -6.319 22.541 1.543 1.00 0.00 H new ATOM 477 N SER A 33 -5.145 15.320 -0.096 1.00 0.00 N ATOM 478 CA SER A 33 -5.600 13.977 -0.439 1.00 0.00 C ATOM 479 C SER A 33 -4.450 12.978 -0.360 1.00 0.00 C ATOM 480 O SER A 33 -3.313 13.345 -0.063 1.00 0.00 O ATOM 481 CB SER A 33 -6.207 13.964 -1.843 1.00 0.00 C ATOM 482 OG SER A 33 -7.212 12.972 -1.955 1.00 0.00 O ATOM 0 H SER A 33 -4.160 15.495 -0.294 1.00 0.00 H new ATOM 0 HA SER A 33 -6.364 13.683 0.281 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.631 14.943 -2.068 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.425 13.778 -2.579 1.00 0.00 H new ATOM 0 HG SER A 33 -7.585 12.985 -2.861 1.00 0.00 H new ATOM 488 N ILE A 34 -4.755 11.713 -0.629 1.00 0.00 N ATOM 489 CA ILE A 34 -3.747 10.660 -0.591 1.00 0.00 C ATOM 490 C ILE A 34 -3.995 9.622 -1.680 1.00 0.00 C ATOM 491 O ILE A 34 -5.135 9.236 -1.937 1.00 0.00 O ATOM 492 CB ILE A 34 -3.722 9.955 0.778 1.00 0.00 C ATOM 493 CG1 ILE A 34 -3.856 10.980 1.907 1.00 0.00 C ATOM 494 CG2 ILE A 34 -2.441 9.150 0.936 1.00 0.00 C ATOM 495 CD1 ILE A 34 -4.175 10.361 3.250 1.00 0.00 C ATOM 0 H ILE A 34 -5.691 11.392 -0.876 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.783 11.139 -0.762 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.568 9.270 0.832 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.927 11.544 1.987 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.640 11.692 1.649 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.438 8.658 1.908 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.384 8.398 0.149 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.581 9.816 0.864 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.255 11.146 4.002 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.120 9.821 3.187 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.380 9.670 3.530 1.00 0.00 H new ATOM 507 N ASN A 35 -2.918 9.172 -2.316 1.00 0.00 N ATOM 508 CA ASN A 35 -3.018 8.177 -3.378 1.00 0.00 C ATOM 509 C ASN A 35 -2.173 6.949 -3.053 1.00 0.00 C ATOM 510 O ASN A 35 -0.946 6.985 -3.144 1.00 0.00 O ATOM 511 CB ASN A 35 -2.573 8.778 -4.712 1.00 0.00 C ATOM 512 CG ASN A 35 -3.285 8.150 -5.895 1.00 0.00 C ATOM 513 OD1 ASN A 35 -4.341 7.537 -5.744 1.00 0.00 O ATOM 514 ND2 ASN A 35 -2.707 8.301 -7.081 1.00 0.00 N ATOM 0 H ASN A 35 -1.967 9.480 -2.115 1.00 0.00 H new ATOM 0 HA ASN A 35 -4.061 7.869 -3.456 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.763 9.851 -4.705 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.497 8.645 -4.826 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -3.139 7.901 -7.914 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.831 8.817 -7.159 1.00 0.00 H new ATOM 521 N TRP A 36 -2.838 5.863 -2.675 1.00 0.00 N ATOM 522 CA TRP A 36 -2.149 4.623 -2.338 1.00 0.00 C ATOM 523 C TRP A 36 -1.803 3.833 -3.595 1.00 0.00 C ATOM 524 O TRP A 36 -2.626 3.698 -4.502 1.00 0.00 O ATOM 525 CB TRP A 36 -3.013 3.771 -1.407 1.00 0.00 C ATOM 526 CG TRP A 36 -2.902 4.167 0.034 1.00 0.00 C ATOM 527 CD1 TRP A 36 -3.826 4.852 0.770 1.00 0.00 C ATOM 528 CD2 TRP A 36 -1.803 3.903 0.913 1.00 0.00 C ATOM 529 NE1 TRP A 36 -3.368 5.030 2.053 1.00 0.00 N ATOM 530 CE2 TRP A 36 -2.129 4.456 2.167 1.00 0.00 C ATOM 531 CE3 TRP A 36 -0.575 3.252 0.763 1.00 0.00 C ATOM 532 CZ2 TRP A 36 -1.272 4.377 3.261 1.00 0.00 C ATOM 533 CZ3 TRP A 36 0.275 3.175 1.850 1.00 0.00 C ATOM 534 CH2 TRP A 36 -0.077 3.734 3.086 1.00 0.00 C ATOM 0 H TRP A 36 -3.854 5.816 -2.594 1.00 0.00 H new ATOM 0 HA TRP A 36 -1.222 4.880 -1.826 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -4.055 3.848 -1.718 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -2.725 2.725 -1.512 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -4.777 5.202 0.398 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -3.869 5.511 2.800 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -0.296 2.817 -0.185 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.541 4.808 4.214 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 1.227 2.675 1.745 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.609 3.656 3.917 1.00 0.00 H new ATOM 545 N LEU A 37 -0.582 3.312 -3.644 1.00 0.00 N ATOM 546 CA LEU A 37 -0.128 2.534 -4.791 1.00 0.00 C ATOM 547 C LEU A 37 0.622 1.285 -4.340 1.00 0.00 C ATOM 548 O LEU A 37 1.105 1.213 -3.209 1.00 0.00 O ATOM 549 CB LEU A 37 0.773 3.387 -5.687 1.00 0.00 C ATOM 550 CG LEU A 37 0.118 4.613 -6.324 1.00 0.00 C ATOM 551 CD1 LEU A 37 1.140 5.721 -6.524 1.00 0.00 C ATOM 552 CD2 LEU A 37 -0.534 4.241 -7.648 1.00 0.00 C ATOM 0 H LEU A 37 0.111 3.414 -2.903 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.006 2.224 -5.358 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.627 3.721 -5.097 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.164 2.754 -6.483 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.657 4.979 -5.650 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.655 6.585 -6.978 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.561 6.006 -5.560 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.937 5.367 -7.177 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.995 5.125 -8.088 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.222 3.850 -8.329 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.296 3.481 -7.477 1.00 0.00 H new ATOM 564 N ARG A 38 0.718 0.303 -5.231 1.00 0.00 N ATOM 565 CA ARG A 38 1.410 -0.943 -4.924 1.00 0.00 C ATOM 566 C ARG A 38 2.019 -1.551 -6.184 1.00 0.00 C ATOM 567 O ARG A 38 1.303 -1.936 -7.109 1.00 0.00 O ATOM 568 CB ARG A 38 0.446 -1.940 -4.279 1.00 0.00 C ATOM 569 CG ARG A 38 1.111 -3.238 -3.848 1.00 0.00 C ATOM 570 CD ARG A 38 0.240 -4.013 -2.873 1.00 0.00 C ATOM 571 NE ARG A 38 -0.760 -4.827 -3.560 1.00 0.00 N ATOM 572 CZ ARG A 38 -0.458 -5.848 -4.354 1.00 0.00 C ATOM 573 NH1 ARG A 38 0.809 -6.178 -4.560 1.00 0.00 N ATOM 574 NH2 ARG A 38 -1.424 -6.540 -4.944 1.00 0.00 N ATOM 0 H ARG A 38 0.325 0.346 -6.171 1.00 0.00 H new ATOM 0 HA ARG A 38 2.215 -0.720 -4.223 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.018 -1.474 -3.410 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.353 -2.168 -4.984 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.313 -3.853 -4.725 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.072 -3.019 -3.384 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.869 -4.655 -2.257 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.260 -3.316 -2.200 1.00 0.00 H new ATOM 0 HE ARG A 38 -1.745 -4.599 -3.422 1.00 0.00 H new ATOM 0 HH11 ARG A 38 1.554 -5.648 -4.108 1.00 0.00 H new ATOM 0 HH12 ARG A 38 1.039 -6.962 -5.170 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -2.400 -6.288 -4.788 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -1.191 -7.324 -5.554 1.00 0.00 H new ATOM 588 N ASP A 39 3.344 -1.632 -6.214 1.00 0.00 N ATOM 589 CA ASP A 39 4.050 -2.194 -7.360 1.00 0.00 C ATOM 590 C ASP A 39 3.825 -1.344 -8.607 1.00 0.00 C ATOM 591 O ASP A 39 3.902 -1.839 -9.730 1.00 0.00 O ATOM 592 CB ASP A 39 3.591 -3.630 -7.616 1.00 0.00 C ATOM 593 CG ASP A 39 4.402 -4.645 -6.836 1.00 0.00 C ATOM 594 OD1 ASP A 39 4.386 -4.587 -5.589 1.00 0.00 O ATOM 595 OD2 ASP A 39 5.053 -5.499 -7.474 1.00 0.00 O ATOM 0 H ASP A 39 3.951 -1.316 -5.458 1.00 0.00 H new ATOM 0 HA ASP A 39 5.116 -2.198 -7.132 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.539 -3.726 -7.347 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.668 -3.849 -8.681 1.00 0.00 H new ATOM 600 N GLY A 40 3.544 -0.061 -8.400 1.00 0.00 N ATOM 601 CA GLY A 40 3.310 0.837 -9.516 1.00 0.00 C ATOM 602 C GLY A 40 1.890 0.754 -10.038 1.00 0.00 C ATOM 603 O GLY A 40 1.670 0.649 -11.245 1.00 0.00 O ATOM 0 H GLY A 40 3.474 0.373 -7.479 1.00 0.00 H new ATOM 0 HA2 GLY A 40 3.520 1.860 -9.205 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.005 0.599 -10.322 1.00 0.00 H new ATOM 607 N VAL A 41 0.922 0.799 -9.128 1.00 0.00 N ATOM 608 CA VAL A 41 -0.485 0.728 -9.504 1.00 0.00 C ATOM 609 C VAL A 41 -1.386 1.117 -8.337 1.00 0.00 C ATOM 610 O VAL A 41 -1.033 0.918 -7.175 1.00 0.00 O ATOM 611 CB VAL A 41 -0.867 -0.685 -9.983 1.00 0.00 C ATOM 612 CG1 VAL A 41 -0.954 -1.644 -8.805 1.00 0.00 C ATOM 613 CG2 VAL A 41 -2.179 -0.650 -10.752 1.00 0.00 C ATOM 0 H VAL A 41 1.087 0.884 -8.125 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.630 1.433 -10.322 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.088 -1.045 -10.655 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.225 -2.637 -9.164 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.012 -1.691 -8.302 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.711 -1.292 -8.104 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.434 -1.657 -11.083 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.970 -0.270 -10.105 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.075 0.002 -11.620 1.00 0.00 H new ATOM 623 N GLN A 42 -2.550 1.674 -8.656 1.00 0.00 N ATOM 624 CA GLN A 42 -3.502 2.092 -7.633 1.00 0.00 C ATOM 625 C GLN A 42 -3.863 0.927 -6.717 1.00 0.00 C ATOM 626 O GLN A 42 -4.188 -0.166 -7.184 1.00 0.00 O ATOM 627 CB GLN A 42 -4.766 2.655 -8.284 1.00 0.00 C ATOM 628 CG GLN A 42 -5.794 3.157 -7.282 1.00 0.00 C ATOM 629 CD GLN A 42 -5.545 4.593 -6.861 1.00 0.00 C ATOM 630 OE1 GLN A 42 -6.284 5.500 -7.244 1.00 0.00 O ATOM 631 NE2 GLN A 42 -4.501 4.805 -6.069 1.00 0.00 N ATOM 0 H GLN A 42 -2.856 1.846 -9.614 1.00 0.00 H new ATOM 0 HA GLN A 42 -3.033 2.871 -7.032 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -4.489 3.473 -8.949 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -5.221 1.882 -8.903 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.790 3.078 -7.718 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -5.780 2.516 -6.400 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -3.916 4.023 -5.776 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -4.284 5.750 -5.753 1.00 0.00 H new ATOM 640 N LEU A 43 -3.804 1.167 -5.412 1.00 0.00 N ATOM 641 CA LEU A 43 -4.124 0.138 -4.429 1.00 0.00 C ATOM 642 C LEU A 43 -5.633 0.017 -4.240 1.00 0.00 C ATOM 643 O LEU A 43 -6.362 1.003 -4.337 1.00 0.00 O ATOM 644 CB LEU A 43 -3.454 0.456 -3.091 1.00 0.00 C ATOM 645 CG LEU A 43 -3.565 -0.622 -2.013 1.00 0.00 C ATOM 646 CD1 LEU A 43 -2.899 -1.909 -2.474 1.00 0.00 C ATOM 647 CD2 LEU A 43 -2.946 -0.138 -0.710 1.00 0.00 C ATOM 0 H LEU A 43 -3.537 2.066 -5.010 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.745 -0.814 -4.800 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.397 0.652 -3.274 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.886 1.378 -2.701 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.621 -0.826 -1.838 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.988 -2.665 -1.693 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.386 -2.266 -3.382 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.845 -1.720 -2.678 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.034 -0.918 0.046 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.893 0.094 -0.871 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.467 0.757 -0.370 1.00 0.00 H new ATOM 659 N ALA A 44 -6.094 -1.199 -3.966 1.00 0.00 N ATOM 660 CA ALA A 44 -7.515 -1.448 -3.759 1.00 0.00 C ATOM 661 C ALA A 44 -7.762 -2.141 -2.422 1.00 0.00 C ATOM 662 O ALA A 44 -6.954 -2.955 -1.977 1.00 0.00 O ATOM 663 CB ALA A 44 -8.077 -2.284 -4.899 1.00 0.00 C ATOM 0 H ALA A 44 -5.504 -2.027 -3.882 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.027 -0.486 -3.741 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -9.139 -2.462 -4.731 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.943 -1.752 -5.841 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.552 -3.238 -4.944 1.00 0.00 H new ATOM 669 N GLU A 45 -8.882 -1.810 -1.788 1.00 0.00 N ATOM 670 CA GLU A 45 -9.233 -2.400 -0.501 1.00 0.00 C ATOM 671 C GLU A 45 -10.194 -3.571 -0.683 1.00 0.00 C ATOM 672 O GLU A 45 -10.921 -3.643 -1.673 1.00 0.00 O ATOM 673 CB GLU A 45 -9.862 -1.347 0.413 1.00 0.00 C ATOM 674 CG GLU A 45 -9.302 0.050 0.209 1.00 0.00 C ATOM 675 CD GLU A 45 -10.244 1.134 0.695 1.00 0.00 C ATOM 676 OE1 GLU A 45 -11.016 0.869 1.641 1.00 0.00 O ATOM 677 OE2 GLU A 45 -10.209 2.247 0.130 1.00 0.00 O ATOM 0 H GLU A 45 -9.561 -1.137 -2.144 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.318 -2.772 -0.039 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -10.938 -1.326 0.242 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.710 -1.642 1.451 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.352 0.137 0.736 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.094 0.203 -0.850 1.00 0.00 H new ATOM 684 N SER A 46 -10.189 -4.488 0.279 1.00 0.00 N ATOM 685 CA SER A 46 -11.057 -5.659 0.224 1.00 0.00 C ATOM 686 C SER A 46 -11.410 -6.140 1.628 1.00 0.00 C ATOM 687 O SER A 46 -11.010 -5.536 2.622 1.00 0.00 O ATOM 688 CB SER A 46 -10.379 -6.786 -0.558 1.00 0.00 C ATOM 689 OG SER A 46 -9.167 -7.180 0.062 1.00 0.00 O ATOM 0 H SER A 46 -9.594 -4.443 1.106 1.00 0.00 H new ATOM 0 HA SER A 46 -11.977 -5.375 -0.286 1.00 0.00 H new ATOM 0 HB2 SER A 46 -11.051 -7.641 -0.626 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.179 -6.456 -1.578 1.00 0.00 H new ATOM 0 HG SER A 46 -8.754 -7.902 -0.456 1.00 0.00 H new ATOM 695 N ASN A 47 -12.163 -7.233 1.700 1.00 0.00 N ATOM 696 CA ASN A 47 -12.571 -7.797 2.982 1.00 0.00 C ATOM 697 C ASN A 47 -11.450 -7.680 4.009 1.00 0.00 C ATOM 698 O ASN A 47 -11.693 -7.369 5.176 1.00 0.00 O ATOM 699 CB ASN A 47 -12.972 -9.264 2.813 1.00 0.00 C ATOM 700 CG ASN A 47 -14.275 -9.423 2.052 1.00 0.00 C ATOM 701 OD1 ASN A 47 -14.611 -8.603 1.197 1.00 0.00 O ATOM 702 ND2 ASN A 47 -15.014 -10.481 2.360 1.00 0.00 N ATOM 0 H ASN A 47 -12.503 -7.746 0.886 1.00 0.00 H new ATOM 0 HA ASN A 47 -13.430 -7.232 3.342 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -12.180 -9.796 2.287 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -13.069 -9.727 3.795 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -15.900 -10.641 1.881 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -14.696 -11.135 3.076 1.00 0.00 H new ATOM 709 N ARG A 48 -10.221 -7.930 3.568 1.00 0.00 N ATOM 710 CA ARG A 48 -9.063 -7.854 4.449 1.00 0.00 C ATOM 711 C ARG A 48 -8.402 -6.481 4.362 1.00 0.00 C ATOM 712 O ARG A 48 -8.320 -5.755 5.352 1.00 0.00 O ATOM 713 CB ARG A 48 -8.050 -8.943 4.091 1.00 0.00 C ATOM 714 CG ARG A 48 -8.639 -10.344 4.079 1.00 0.00 C ATOM 715 CD ARG A 48 -7.564 -11.403 4.262 1.00 0.00 C ATOM 716 NE ARG A 48 -7.897 -12.646 3.572 1.00 0.00 N ATOM 717 CZ ARG A 48 -8.851 -13.477 3.976 1.00 0.00 C ATOM 718 NH1 ARG A 48 -9.563 -13.198 5.060 1.00 0.00 N ATOM 719 NH2 ARG A 48 -9.096 -14.590 3.296 1.00 0.00 N ATOM 0 H ARG A 48 -10.002 -8.187 2.605 1.00 0.00 H new ATOM 0 HA ARG A 48 -9.406 -8.009 5.472 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -7.629 -8.727 3.109 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -7.227 -8.910 4.805 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -9.380 -10.435 4.874 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -9.160 -10.512 3.137 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -6.614 -11.023 3.887 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -7.430 -11.603 5.325 1.00 0.00 H new ATOM 0 HE ARG A 48 -7.368 -12.889 2.734 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -9.378 -12.343 5.585 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -10.295 -13.838 5.368 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -8.551 -14.808 2.462 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -9.829 -15.227 3.608 1.00 0.00 H new ATOM 733 N THR A 49 -7.932 -6.131 3.168 1.00 0.00 N ATOM 734 CA THR A 49 -7.278 -4.847 2.951 1.00 0.00 C ATOM 735 C THR A 49 -8.203 -3.691 3.310 1.00 0.00 C ATOM 736 O THR A 49 -9.391 -3.710 2.987 1.00 0.00 O ATOM 737 CB THR A 49 -6.822 -4.690 1.488 1.00 0.00 C ATOM 738 OG1 THR A 49 -6.078 -5.843 1.079 1.00 0.00 O ATOM 739 CG2 THR A 49 -5.968 -3.442 1.319 1.00 0.00 C ATOM 0 H THR A 49 -7.992 -6.719 2.337 1.00 0.00 H new ATOM 0 HA THR A 49 -6.404 -4.824 3.601 1.00 0.00 H new ATOM 0 HB THR A 49 -7.709 -4.592 0.863 1.00 0.00 H new ATOM 0 HG1 THR A 49 -5.794 -5.735 0.147 1.00 0.00 H new ATOM 0 HG21 THR A 49 -5.658 -3.352 0.278 1.00 0.00 H new ATOM 0 HG22 THR A 49 -6.548 -2.563 1.602 1.00 0.00 H new ATOM 0 HG23 THR A 49 -5.086 -3.516 1.956 1.00 0.00 H new ATOM 747 N ARG A 50 -7.652 -2.684 3.980 1.00 0.00 N ATOM 748 CA ARG A 50 -8.429 -1.519 4.384 1.00 0.00 C ATOM 749 C ARG A 50 -7.591 -0.247 4.289 1.00 0.00 C ATOM 750 O ARG A 50 -6.630 -0.068 5.038 1.00 0.00 O ATOM 751 CB ARG A 50 -8.948 -1.695 5.812 1.00 0.00 C ATOM 752 CG ARG A 50 -9.270 -0.383 6.510 1.00 0.00 C ATOM 753 CD ARG A 50 -10.221 0.468 5.683 1.00 0.00 C ATOM 754 NE ARG A 50 -11.610 0.302 6.102 1.00 0.00 N ATOM 755 CZ ARG A 50 -12.398 -0.675 5.666 1.00 0.00 C ATOM 756 NH1 ARG A 50 -11.935 -1.569 4.803 1.00 0.00 N ATOM 757 NH2 ARG A 50 -13.651 -0.760 6.094 1.00 0.00 N ATOM 0 H ARG A 50 -6.670 -2.652 4.254 1.00 0.00 H new ATOM 0 HA ARG A 50 -9.277 -1.427 3.706 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -9.845 -2.314 5.790 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -8.203 -2.234 6.396 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -9.716 -0.587 7.484 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -8.348 0.170 6.691 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -9.939 1.517 5.772 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -10.125 0.200 4.631 1.00 0.00 H new ATOM 0 HE ARG A 50 -11.997 0.973 6.766 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -10.972 -1.508 4.472 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -12.542 -2.318 4.470 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -14.011 -0.075 6.759 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -14.255 -1.511 5.758 1.00 0.00 H new ATOM 771 N ILE A 51 -7.962 0.632 3.365 1.00 0.00 N ATOM 772 CA ILE A 51 -7.245 1.887 3.173 1.00 0.00 C ATOM 773 C ILE A 51 -8.002 3.054 3.797 1.00 0.00 C ATOM 774 O ILE A 51 -8.963 3.565 3.220 1.00 0.00 O ATOM 775 CB ILE A 51 -7.013 2.180 1.679 1.00 0.00 C ATOM 776 CG1 ILE A 51 -6.159 1.079 1.047 1.00 0.00 C ATOM 777 CG2 ILE A 51 -6.351 3.538 1.502 1.00 0.00 C ATOM 778 CD1 ILE A 51 -6.318 0.976 -0.453 1.00 0.00 C ATOM 0 H ILE A 51 -8.755 0.499 2.737 1.00 0.00 H new ATOM 0 HA ILE A 51 -6.280 1.778 3.667 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.979 2.200 1.174 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.111 1.264 1.281 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.422 0.122 1.498 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.194 3.731 0.441 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.993 4.313 1.920 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.391 3.545 2.018 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.683 0.175 -0.832 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -7.359 0.760 -0.695 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.027 1.919 -0.915 1.00 0.00 H new ATOM 790 N THR A 52 -7.562 3.474 4.979 1.00 0.00 N ATOM 791 CA THR A 52 -8.198 4.581 5.682 1.00 0.00 C ATOM 792 C THR A 52 -7.690 5.923 5.167 1.00 0.00 C ATOM 793 O THR A 52 -7.903 6.960 5.793 1.00 0.00 O ATOM 794 CB THR A 52 -7.950 4.499 7.200 1.00 0.00 C ATOM 795 OG1 THR A 52 -6.543 4.520 7.468 1.00 0.00 O ATOM 796 CG2 THR A 52 -8.564 3.235 7.781 1.00 0.00 C ATOM 0 H THR A 52 -6.767 3.064 5.470 1.00 0.00 H new ATOM 0 HA THR A 52 -9.268 4.503 5.492 1.00 0.00 H new ATOM 0 HB THR A 52 -8.422 5.362 7.671 1.00 0.00 H new ATOM 0 HG1 THR A 52 -6.142 3.674 7.178 1.00 0.00 H new ATOM 0 HG21 THR A 52 -8.376 3.199 8.854 1.00 0.00 H new ATOM 0 HG22 THR A 52 -9.639 3.237 7.601 1.00 0.00 H new ATOM 0 HG23 THR A 52 -8.118 2.362 7.305 1.00 0.00 H new ATOM 804 N GLY A 53 -7.017 5.895 4.020 1.00 0.00 N ATOM 805 CA GLY A 53 -6.489 7.117 3.440 1.00 0.00 C ATOM 806 C GLY A 53 -4.993 7.253 3.637 1.00 0.00 C ATOM 807 O GLY A 53 -4.235 7.303 2.669 1.00 0.00 O ATOM 0 H GLY A 53 -6.828 5.049 3.483 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.715 7.137 2.374 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -6.991 7.975 3.888 1.00 0.00 H new ATOM 811 N GLU A 54 -4.566 7.314 4.895 1.00 0.00 N ATOM 812 CA GLU A 54 -3.150 7.448 5.215 1.00 0.00 C ATOM 813 C GLU A 54 -2.640 6.215 5.955 1.00 0.00 C ATOM 814 O GLU A 54 -1.454 6.112 6.266 1.00 0.00 O ATOM 815 CB GLU A 54 -2.911 8.700 6.061 1.00 0.00 C ATOM 816 CG GLU A 54 -3.029 8.455 7.556 1.00 0.00 C ATOM 817 CD GLU A 54 -3.314 9.725 8.335 1.00 0.00 C ATOM 818 OE1 GLU A 54 -4.447 10.240 8.236 1.00 0.00 O ATOM 819 OE2 GLU A 54 -2.403 10.203 9.043 1.00 0.00 O ATOM 0 H GLU A 54 -5.180 7.273 5.708 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.600 7.541 4.279 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.918 9.092 5.843 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.628 9.468 5.769 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.825 7.734 7.740 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.104 8.009 7.921 1.00 0.00 H new ATOM 826 N GLU A 55 -3.546 5.284 6.235 1.00 0.00 N ATOM 827 CA GLU A 55 -3.189 4.059 6.941 1.00 0.00 C ATOM 828 C GLU A 55 -3.864 2.847 6.304 1.00 0.00 C ATOM 829 O GLU A 55 -5.090 2.790 6.200 1.00 0.00 O ATOM 830 CB GLU A 55 -3.582 4.160 8.416 1.00 0.00 C ATOM 831 CG GLU A 55 -2.533 4.839 9.280 1.00 0.00 C ATOM 832 CD GLU A 55 -2.977 4.994 10.722 1.00 0.00 C ATOM 833 OE1 GLU A 55 -4.199 5.101 10.958 1.00 0.00 O ATOM 834 OE2 GLU A 55 -2.104 5.009 11.614 1.00 0.00 O ATOM 0 H GLU A 55 -4.532 5.354 5.984 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.109 3.931 6.869 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.519 4.711 8.497 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.767 3.158 8.804 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.610 4.259 9.248 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.307 5.821 8.866 1.00 0.00 H new ATOM 841 N VAL A 56 -3.056 1.881 5.880 1.00 0.00 N ATOM 842 CA VAL A 56 -3.574 0.671 5.255 1.00 0.00 C ATOM 843 C VAL A 56 -3.518 -0.512 6.215 1.00 0.00 C ATOM 844 O VAL A 56 -2.552 -0.672 6.961 1.00 0.00 O ATOM 845 CB VAL A 56 -2.789 0.318 3.977 1.00 0.00 C ATOM 846 CG1 VAL A 56 -3.227 -1.035 3.437 1.00 0.00 C ATOM 847 CG2 VAL A 56 -2.967 1.404 2.927 1.00 0.00 C ATOM 0 H VAL A 56 -2.040 1.913 5.958 1.00 0.00 H new ATOM 0 HA VAL A 56 -4.612 0.872 4.991 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.730 0.256 4.227 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.662 -1.267 2.534 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.043 -1.803 4.188 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -4.291 -1.006 3.201 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.406 1.139 2.031 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.024 1.500 2.678 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.599 2.352 3.318 1.00 0.00 H new ATOM 857 N GLU A 57 -4.559 -1.338 6.191 1.00 0.00 N ATOM 858 CA GLU A 57 -4.627 -2.506 7.061 1.00 0.00 C ATOM 859 C GLU A 57 -5.167 -3.717 6.305 1.00 0.00 C ATOM 860 O GLU A 57 -6.291 -3.698 5.802 1.00 0.00 O ATOM 861 CB GLU A 57 -5.511 -2.214 8.276 1.00 0.00 C ATOM 862 CG GLU A 57 -5.730 -3.421 9.172 1.00 0.00 C ATOM 863 CD GLU A 57 -6.770 -3.168 10.247 1.00 0.00 C ATOM 864 OE1 GLU A 57 -6.395 -2.678 11.332 1.00 0.00 O ATOM 865 OE2 GLU A 57 -7.959 -3.460 10.002 1.00 0.00 O ATOM 0 H GLU A 57 -5.366 -1.220 5.579 1.00 0.00 H new ATOM 0 HA GLU A 57 -3.617 -2.733 7.402 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.057 -1.415 8.862 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.478 -1.847 7.932 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.041 -4.269 8.563 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.786 -3.696 9.642 1.00 0.00 H new ATOM 872 N VAL A 58 -4.358 -4.768 6.228 1.00 0.00 N ATOM 873 CA VAL A 58 -4.753 -5.988 5.534 1.00 0.00 C ATOM 874 C VAL A 58 -4.729 -7.188 6.474 1.00 0.00 C ATOM 875 O VAL A 58 -3.665 -7.623 6.912 1.00 0.00 O ATOM 876 CB VAL A 58 -3.834 -6.273 4.332 1.00 0.00 C ATOM 877 CG1 VAL A 58 -4.443 -7.340 3.434 1.00 0.00 C ATOM 878 CG2 VAL A 58 -3.567 -4.996 3.551 1.00 0.00 C ATOM 0 H VAL A 58 -3.424 -4.800 6.638 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.770 -5.832 5.175 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.882 -6.648 4.707 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.779 -7.528 2.590 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.577 -8.261 4.002 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.410 -6.997 3.066 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.916 -5.216 2.705 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.510 -4.589 3.187 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.084 -4.266 4.201 1.00 0.00 H new ATOM 888 N GLN A 59 -5.909 -7.717 6.780 1.00 0.00 N ATOM 889 CA GLN A 59 -6.023 -8.867 7.669 1.00 0.00 C ATOM 890 C GLN A 59 -5.605 -10.150 6.957 1.00 0.00 C ATOM 891 O GLN A 59 -5.756 -10.274 5.742 1.00 0.00 O ATOM 892 CB GLN A 59 -7.457 -9.001 8.184 1.00 0.00 C ATOM 893 CG GLN A 59 -7.909 -7.825 9.036 1.00 0.00 C ATOM 894 CD GLN A 59 -9.316 -8.001 9.573 1.00 0.00 C ATOM 895 OE1 GLN A 59 -9.631 -9.012 10.201 1.00 0.00 O ATOM 896 NE2 GLN A 59 -10.171 -7.015 9.329 1.00 0.00 N ATOM 0 H GLN A 59 -6.799 -7.368 6.426 1.00 0.00 H new ATOM 0 HA GLN A 59 -5.354 -8.707 8.515 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -8.132 -9.104 7.334 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -7.540 -9.917 8.770 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -7.219 -7.699 9.870 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -7.862 -6.912 8.443 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -9.867 -6.195 8.804 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -11.132 -7.078 9.666 1.00 0.00 H new ATOM 905 N ASP A 60 -5.077 -11.100 7.721 1.00 0.00 N ATOM 906 CA ASP A 60 -4.638 -12.373 7.163 1.00 0.00 C ATOM 907 C ASP A 60 -3.745 -12.154 5.946 1.00 0.00 C ATOM 908 O ASP A 60 -3.864 -12.856 4.942 1.00 0.00 O ATOM 909 CB ASP A 60 -5.845 -13.230 6.778 1.00 0.00 C ATOM 910 CG ASP A 60 -5.574 -14.714 6.929 1.00 0.00 C ATOM 911 OD1 ASP A 60 -4.858 -15.275 6.074 1.00 0.00 O ATOM 912 OD2 ASP A 60 -6.079 -15.313 7.901 1.00 0.00 O ATOM 0 H ASP A 60 -4.943 -11.012 8.728 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.061 -12.895 7.926 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -6.696 -12.954 7.401 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -6.123 -13.018 5.746 1.00 0.00 H new ATOM 917 N SER A 61 -2.851 -11.175 6.043 1.00 0.00 N ATOM 918 CA SER A 61 -1.941 -10.860 4.948 1.00 0.00 C ATOM 919 C SER A 61 -1.421 -12.134 4.290 1.00 0.00 C ATOM 920 O SER A 61 -1.502 -13.220 4.863 1.00 0.00 O ATOM 921 CB SER A 61 -0.768 -10.020 5.458 1.00 0.00 C ATOM 922 OG SER A 61 0.137 -10.811 6.208 1.00 0.00 O ATOM 0 H SER A 61 -2.738 -10.587 6.868 1.00 0.00 H new ATOM 0 HA SER A 61 -2.493 -10.287 4.203 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.247 -9.567 4.614 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.142 -9.205 6.077 1.00 0.00 H new ATOM 0 HG SER A 61 0.878 -10.252 6.521 1.00 0.00 H new ATOM 928 N VAL A 62 -0.886 -11.992 3.081 1.00 0.00 N ATOM 929 CA VAL A 62 -0.351 -13.131 2.343 1.00 0.00 C ATOM 930 C VAL A 62 0.884 -12.735 1.542 1.00 0.00 C ATOM 931 O VAL A 62 1.134 -11.559 1.280 1.00 0.00 O ATOM 932 CB VAL A 62 -1.403 -13.723 1.386 1.00 0.00 C ATOM 933 CG1 VAL A 62 -2.190 -14.827 2.075 1.00 0.00 C ATOM 934 CG2 VAL A 62 -2.332 -12.632 0.875 1.00 0.00 C ATOM 0 H VAL A 62 -0.812 -11.100 2.592 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.076 -13.886 3.080 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.887 -14.158 0.530 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.928 -15.233 1.384 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.509 -15.620 2.386 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.697 -14.421 2.950 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.069 -13.068 0.200 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.843 -12.165 1.717 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.751 -11.880 0.341 1.00 0.00 H new ATOM 944 N PRO A 63 1.677 -13.741 1.143 1.00 0.00 N ATOM 945 CA PRO A 63 2.900 -13.523 0.364 1.00 0.00 C ATOM 946 C PRO A 63 2.606 -13.058 -1.058 1.00 0.00 C ATOM 947 O PRO A 63 3.519 -12.887 -1.866 1.00 0.00 O ATOM 948 CB PRO A 63 3.562 -14.903 0.350 1.00 0.00 C ATOM 949 CG PRO A 63 2.438 -15.864 0.537 1.00 0.00 C ATOM 950 CD PRO A 63 1.440 -15.167 1.419 1.00 0.00 C ATOM 0 HA PRO A 63 3.524 -12.740 0.795 1.00 0.00 H new ATOM 0 HB2 PRO A 63 4.084 -15.082 -0.590 1.00 0.00 H new ATOM 0 HB3 PRO A 63 4.300 -14.996 1.147 1.00 0.00 H new ATOM 0 HG2 PRO A 63 1.992 -16.134 -0.420 1.00 0.00 H new ATOM 0 HG3 PRO A 63 2.787 -16.788 0.997 1.00 0.00 H new ATOM 0 HD2 PRO A 63 0.418 -15.458 1.177 1.00 0.00 H new ATOM 0 HD3 PRO A 63 1.599 -15.404 2.471 1.00 0.00 H new ATOM 958 N ALA A 64 1.327 -12.857 -1.358 1.00 0.00 N ATOM 959 CA ALA A 64 0.915 -12.409 -2.683 1.00 0.00 C ATOM 960 C ALA A 64 0.560 -10.926 -2.675 1.00 0.00 C ATOM 961 O ALA A 64 0.663 -10.249 -3.698 1.00 0.00 O ATOM 962 CB ALA A 64 -0.266 -13.234 -3.174 1.00 0.00 C ATOM 0 H ALA A 64 0.559 -12.997 -0.702 1.00 0.00 H new ATOM 0 HA ALA A 64 1.753 -12.551 -3.365 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.564 -12.889 -4.164 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.021 -14.284 -3.226 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.102 -13.120 -2.484 1.00 0.00 H new ATOM 968 N ASP A 65 0.141 -10.429 -1.517 1.00 0.00 N ATOM 969 CA ASP A 65 -0.229 -9.025 -1.377 1.00 0.00 C ATOM 970 C ASP A 65 1.007 -8.156 -1.167 1.00 0.00 C ATOM 971 O ASP A 65 0.967 -6.943 -1.375 1.00 0.00 O ATOM 972 CB ASP A 65 -1.199 -8.845 -0.208 1.00 0.00 C ATOM 973 CG ASP A 65 -2.461 -9.670 -0.370 1.00 0.00 C ATOM 974 OD1 ASP A 65 -2.494 -10.530 -1.275 1.00 0.00 O ATOM 975 OD2 ASP A 65 -3.415 -9.455 0.407 1.00 0.00 O ATOM 0 H ASP A 65 0.049 -10.977 -0.662 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.720 -8.711 -2.298 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -0.701 -9.126 0.720 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.466 -7.792 -0.120 1.00 0.00 H new ATOM 980 N SER A 66 2.103 -8.784 -0.754 1.00 0.00 N ATOM 981 CA SER A 66 3.349 -8.066 -0.511 1.00 0.00 C ATOM 982 C SER A 66 3.725 -7.209 -1.715 1.00 0.00 C ATOM 983 O SER A 66 3.042 -7.221 -2.738 1.00 0.00 O ATOM 984 CB SER A 66 4.477 -9.052 -0.200 1.00 0.00 C ATOM 985 OG SER A 66 4.631 -9.997 -1.245 1.00 0.00 O ATOM 0 H SER A 66 2.154 -9.788 -0.581 1.00 0.00 H new ATOM 0 HA SER A 66 3.201 -7.411 0.347 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.411 -8.508 -0.057 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.264 -9.570 0.735 1.00 0.00 H new ATOM 0 HG SER A 66 4.123 -10.807 -1.031 1.00 0.00 H new ATOM 991 N GLY A 67 4.819 -6.464 -1.585 1.00 0.00 N ATOM 992 CA GLY A 67 5.269 -5.610 -2.669 1.00 0.00 C ATOM 993 C GLY A 67 5.814 -4.285 -2.175 1.00 0.00 C ATOM 994 O GLY A 67 6.311 -4.189 -1.052 1.00 0.00 O ATOM 0 H GLY A 67 5.402 -6.437 -0.748 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.041 -6.127 -3.238 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.439 -5.426 -3.351 1.00 0.00 H new ATOM 998 N LEU A 68 5.724 -3.260 -3.015 1.00 0.00 N ATOM 999 CA LEU A 68 6.214 -1.933 -2.658 1.00 0.00 C ATOM 1000 C LEU A 68 5.083 -0.910 -2.683 1.00 0.00 C ATOM 1001 O LEU A 68 4.694 -0.425 -3.745 1.00 0.00 O ATOM 1002 CB LEU A 68 7.326 -1.504 -3.617 1.00 0.00 C ATOM 1003 CG LEU A 68 7.940 -0.127 -3.360 1.00 0.00 C ATOM 1004 CD1 LEU A 68 8.852 -0.167 -2.144 1.00 0.00 C ATOM 1005 CD2 LEU A 68 8.703 0.354 -4.586 1.00 0.00 C ATOM 0 H LEU A 68 5.316 -3.322 -3.948 1.00 0.00 H new ATOM 0 HA LEU A 68 6.614 -1.980 -1.645 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.122 -2.248 -3.575 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.929 -1.519 -4.632 1.00 0.00 H new ATOM 0 HG LEU A 68 7.133 0.577 -3.159 1.00 0.00 H new ATOM 0 HD11 LEU A 68 9.279 0.822 -1.977 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.277 -0.466 -1.268 1.00 0.00 H new ATOM 0 HD13 LEU A 68 9.654 -0.885 -2.314 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.133 1.335 -4.385 1.00 0.00 H new ATOM 0 HD22 LEU A 68 9.501 -0.351 -4.818 1.00 0.00 H new ATOM 0 HD23 LEU A 68 8.022 0.423 -5.434 1.00 0.00 H new ATOM 1017 N TYR A 69 4.562 -0.585 -1.505 1.00 0.00 N ATOM 1018 CA TYR A 69 3.475 0.381 -1.391 1.00 0.00 C ATOM 1019 C TYR A 69 4.008 1.809 -1.446 1.00 0.00 C ATOM 1020 O TYR A 69 5.024 2.129 -0.830 1.00 0.00 O ATOM 1021 CB TYR A 69 2.705 0.162 -0.088 1.00 0.00 C ATOM 1022 CG TYR A 69 2.011 -1.180 -0.013 1.00 0.00 C ATOM 1023 CD1 TYR A 69 2.740 -2.353 0.142 1.00 0.00 C ATOM 1024 CD2 TYR A 69 0.628 -1.274 -0.095 1.00 0.00 C ATOM 1025 CE1 TYR A 69 2.110 -3.581 0.211 1.00 0.00 C ATOM 1026 CE2 TYR A 69 -0.011 -2.498 -0.027 1.00 0.00 C ATOM 1027 CZ TYR A 69 0.735 -3.648 0.126 1.00 0.00 C ATOM 1028 OH TYR A 69 0.104 -4.869 0.195 1.00 0.00 O ATOM 0 H TYR A 69 4.874 -0.976 -0.616 1.00 0.00 H new ATOM 0 HA TYR A 69 2.800 0.232 -2.234 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.395 0.252 0.751 1.00 0.00 H new ATOM 0 HB3 TYR A 69 1.963 0.952 0.023 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.817 -2.304 0.210 1.00 0.00 H new ATOM 0 HD2 TYR A 69 0.041 -0.375 -0.214 1.00 0.00 H new ATOM 0 HE1 TYR A 69 2.691 -4.483 0.331 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -1.088 -2.553 -0.093 1.00 0.00 H new ATOM 0 HH TYR A 69 0.590 -5.520 -0.353 1.00 0.00 H new ATOM 1038 N ALA A 70 3.313 2.665 -2.189 1.00 0.00 N ATOM 1039 CA ALA A 70 3.713 4.060 -2.323 1.00 0.00 C ATOM 1040 C ALA A 70 2.515 4.992 -2.170 1.00 0.00 C ATOM 1041 O ALA A 70 1.552 4.912 -2.933 1.00 0.00 O ATOM 1042 CB ALA A 70 4.392 4.287 -3.665 1.00 0.00 C ATOM 0 H ALA A 70 2.470 2.416 -2.707 1.00 0.00 H new ATOM 0 HA ALA A 70 4.421 4.287 -1.526 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.686 5.333 -3.752 1.00 0.00 H new ATOM 0 HB2 ALA A 70 5.277 3.655 -3.737 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.701 4.036 -4.470 1.00 0.00 H new ATOM 1048 N CYS A 71 2.581 5.874 -1.178 1.00 0.00 N ATOM 1049 CA CYS A 71 1.501 6.820 -0.923 1.00 0.00 C ATOM 1050 C CYS A 71 1.858 8.207 -1.451 1.00 0.00 C ATOM 1051 O CYS A 71 2.896 8.768 -1.100 1.00 0.00 O ATOM 1052 CB CYS A 71 1.203 6.894 0.575 1.00 0.00 C ATOM 1053 SG CYS A 71 2.316 7.999 1.502 1.00 0.00 S ATOM 0 H CYS A 71 3.371 5.953 -0.538 1.00 0.00 H new ATOM 0 HA CYS A 71 0.612 6.468 -1.446 1.00 0.00 H new ATOM 0 HB2 CYS A 71 0.176 7.231 0.714 1.00 0.00 H new ATOM 0 HB3 CYS A 71 1.269 5.891 0.998 1.00 0.00 H new ATOM 1058 N VAL A 72 0.990 8.754 -2.296 1.00 0.00 N ATOM 1059 CA VAL A 72 1.212 10.075 -2.872 1.00 0.00 C ATOM 1060 C VAL A 72 0.123 11.051 -2.442 1.00 0.00 C ATOM 1061 O VAL A 72 -1.054 10.861 -2.750 1.00 0.00 O ATOM 1062 CB VAL A 72 1.257 10.017 -4.410 1.00 0.00 C ATOM 1063 CG1 VAL A 72 1.815 11.313 -4.978 1.00 0.00 C ATOM 1064 CG2 VAL A 72 2.079 8.824 -4.874 1.00 0.00 C ATOM 0 H VAL A 72 0.126 8.303 -2.597 1.00 0.00 H new ATOM 0 HA VAL A 72 2.176 10.424 -2.502 1.00 0.00 H new ATOM 0 HB VAL A 72 0.240 9.895 -4.781 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.839 11.253 -6.066 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.181 12.146 -4.675 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.826 11.470 -4.601 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.100 8.798 -5.963 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.096 8.913 -4.493 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.630 7.905 -4.498 1.00 0.00 H new ATOM 1074 N THR A 73 0.523 12.099 -1.729 1.00 0.00 N ATOM 1075 CA THR A 73 -0.419 13.106 -1.256 1.00 0.00 C ATOM 1076 C THR A 73 -0.439 14.318 -2.182 1.00 0.00 C ATOM 1077 O THR A 73 0.584 14.688 -2.758 1.00 0.00 O ATOM 1078 CB THR A 73 -0.075 13.571 0.171 1.00 0.00 C ATOM 1079 OG1 THR A 73 1.165 14.288 0.168 1.00 0.00 O ATOM 1080 CG2 THR A 73 0.023 12.384 1.118 1.00 0.00 C ATOM 0 H THR A 73 1.493 12.273 -1.466 1.00 0.00 H new ATOM 0 HA THR A 73 -1.404 12.639 -1.251 1.00 0.00 H new ATOM 0 HB THR A 73 -0.873 14.228 0.517 1.00 0.00 H new ATOM 0 HG1 THR A 73 1.456 14.443 1.091 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.267 12.737 2.120 1.00 0.00 H new ATOM 0 HG22 THR A 73 -0.931 11.857 1.141 1.00 0.00 H new ATOM 0 HG23 THR A 73 0.803 11.706 0.772 1.00 0.00 H new ATOM 1088 N SER A 74 -1.610 14.932 -2.320 1.00 0.00 N ATOM 1089 CA SER A 74 -1.763 16.101 -3.178 1.00 0.00 C ATOM 1090 C SER A 74 -1.834 17.379 -2.348 1.00 0.00 C ATOM 1091 O SER A 74 -2.880 17.714 -1.792 1.00 0.00 O ATOM 1092 CB SER A 74 -3.022 15.967 -4.037 1.00 0.00 C ATOM 1093 OG SER A 74 -2.860 14.964 -5.026 1.00 0.00 O ATOM 0 H SER A 74 -2.466 14.639 -1.849 1.00 0.00 H new ATOM 0 HA SER A 74 -0.891 16.160 -3.829 1.00 0.00 H new ATOM 0 HB2 SER A 74 -3.874 15.723 -3.403 1.00 0.00 H new ATOM 0 HB3 SER A 74 -3.243 16.921 -4.515 1.00 0.00 H new ATOM 0 HG SER A 74 -3.679 14.896 -5.561 1.00 0.00 H new ATOM 1099 N SER A 75 -0.713 18.089 -2.270 1.00 0.00 N ATOM 1100 CA SER A 75 -0.646 19.329 -1.505 1.00 0.00 C ATOM 1101 C SER A 75 -0.353 20.515 -2.418 1.00 0.00 C ATOM 1102 O SER A 75 0.282 20.384 -3.465 1.00 0.00 O ATOM 1103 CB SER A 75 0.430 19.226 -0.422 1.00 0.00 C ATOM 1104 OG SER A 75 1.729 19.245 -0.989 1.00 0.00 O ATOM 0 H SER A 75 0.161 17.827 -2.727 1.00 0.00 H new ATOM 0 HA SER A 75 -1.615 19.488 -1.031 1.00 0.00 H new ATOM 0 HB2 SER A 75 0.324 20.053 0.280 1.00 0.00 H new ATOM 0 HB3 SER A 75 0.291 18.306 0.146 1.00 0.00 H new ATOM 0 HG SER A 75 1.989 18.334 -1.241 1.00 0.00 H new ATOM 1110 N PRO A 76 -0.826 21.703 -2.013 1.00 0.00 N ATOM 1111 CA PRO A 76 -0.627 22.937 -2.779 1.00 0.00 C ATOM 1112 C PRO A 76 0.825 23.400 -2.766 1.00 0.00 C ATOM 1113 O PRO A 76 1.171 24.409 -3.381 1.00 0.00 O ATOM 1114 CB PRO A 76 -1.519 23.950 -2.057 1.00 0.00 C ATOM 1115 CG PRO A 76 -1.630 23.432 -0.665 1.00 0.00 C ATOM 1116 CD PRO A 76 -1.590 21.933 -0.776 1.00 0.00 C ATOM 0 HA PRO A 76 -0.873 22.807 -3.833 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -1.080 24.947 -2.074 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -2.498 24.024 -2.531 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -0.812 23.799 -0.046 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -2.557 23.764 -0.198 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -1.103 21.479 0.087 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -2.592 21.508 -0.837 1.00 0.00 H new ATOM 1124 N SER A 77 1.672 22.658 -2.060 1.00 0.00 N ATOM 1125 CA SER A 77 3.088 22.995 -1.964 1.00 0.00 C ATOM 1126 C SER A 77 3.944 21.955 -2.680 1.00 0.00 C ATOM 1127 O SER A 77 5.127 22.176 -2.933 1.00 0.00 O ATOM 1128 CB SER A 77 3.510 23.098 -0.497 1.00 0.00 C ATOM 1129 OG SER A 77 3.174 21.919 0.214 1.00 0.00 O ATOM 0 H SER A 77 1.403 21.819 -1.546 1.00 0.00 H new ATOM 0 HA SER A 77 3.241 23.960 -2.448 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.585 23.270 -0.436 1.00 0.00 H new ATOM 0 HB3 SER A 77 3.023 23.957 -0.035 1.00 0.00 H new ATOM 0 HG SER A 77 3.455 22.009 1.148 1.00 0.00 H new ATOM 1135 N GLY A 78 3.335 20.818 -3.004 1.00 0.00 N ATOM 1136 CA GLY A 78 4.056 19.760 -3.688 1.00 0.00 C ATOM 1137 C GLY A 78 3.643 18.379 -3.217 1.00 0.00 C ATOM 1138 O GLY A 78 3.680 18.087 -2.022 1.00 0.00 O ATOM 0 H GLY A 78 2.356 20.611 -2.805 1.00 0.00 H new ATOM 0 HA2 GLY A 78 3.883 19.841 -4.761 1.00 0.00 H new ATOM 0 HA3 GLY A 78 5.126 19.891 -3.527 1.00 0.00 H new ATOM 1142 N SER A 79 3.248 17.528 -4.158 1.00 0.00 N ATOM 1143 CA SER A 79 2.821 16.172 -3.832 1.00 0.00 C ATOM 1144 C SER A 79 4.010 15.315 -3.409 1.00 0.00 C ATOM 1145 O SER A 79 4.953 15.121 -4.176 1.00 0.00 O ATOM 1146 CB SER A 79 2.119 15.534 -5.032 1.00 0.00 C ATOM 1147 OG SER A 79 2.914 15.633 -6.200 1.00 0.00 O ATOM 0 H SER A 79 3.215 17.753 -5.152 1.00 0.00 H new ATOM 0 HA SER A 79 2.121 16.228 -2.998 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.909 14.486 -4.819 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.160 16.024 -5.199 1.00 0.00 H new ATOM 0 HG SER A 79 3.861 15.553 -5.959 1.00 0.00 H new ATOM 1153 N ASP A 80 3.958 14.806 -2.183 1.00 0.00 N ATOM 1154 CA ASP A 80 5.030 13.969 -1.657 1.00 0.00 C ATOM 1155 C ASP A 80 4.766 12.497 -1.956 1.00 0.00 C ATOM 1156 O ASP A 80 3.706 12.136 -2.469 1.00 0.00 O ATOM 1157 CB ASP A 80 5.175 14.178 -0.149 1.00 0.00 C ATOM 1158 CG ASP A 80 6.604 13.999 0.326 1.00 0.00 C ATOM 1159 OD1 ASP A 80 6.996 12.846 0.606 1.00 0.00 O ATOM 1160 OD2 ASP A 80 7.330 15.010 0.416 1.00 0.00 O ATOM 0 H ASP A 80 3.185 14.958 -1.535 1.00 0.00 H new ATOM 0 HA ASP A 80 5.959 14.260 -2.147 1.00 0.00 H new ATOM 0 HB2 ASP A 80 4.832 15.179 0.111 1.00 0.00 H new ATOM 0 HB3 ASP A 80 4.530 13.474 0.376 1.00 0.00 H new ATOM 1165 N THR A 81 5.737 11.649 -1.632 1.00 0.00 N ATOM 1166 CA THR A 81 5.611 10.216 -1.868 1.00 0.00 C ATOM 1167 C THR A 81 6.334 9.416 -0.790 1.00 0.00 C ATOM 1168 O THR A 81 7.479 9.712 -0.445 1.00 0.00 O ATOM 1169 CB THR A 81 6.172 9.822 -3.247 1.00 0.00 C ATOM 1170 OG1 THR A 81 5.697 10.731 -4.247 1.00 0.00 O ATOM 1171 CG2 THR A 81 5.764 8.402 -3.612 1.00 0.00 C ATOM 0 H THR A 81 6.620 11.930 -1.205 1.00 0.00 H new ATOM 0 HA THR A 81 4.547 9.983 -1.837 1.00 0.00 H new ATOM 0 HB THR A 81 7.260 9.870 -3.199 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.059 10.475 -5.121 1.00 0.00 H new ATOM 0 HG21 THR A 81 6.172 8.146 -4.590 1.00 0.00 H new ATOM 0 HG22 THR A 81 6.151 7.709 -2.865 1.00 0.00 H new ATOM 0 HG23 THR A 81 4.677 8.332 -3.643 1.00 0.00 H new ATOM 1179 N THR A 82 5.660 8.399 -0.262 1.00 0.00 N ATOM 1180 CA THR A 82 6.239 7.556 0.776 1.00 0.00 C ATOM 1181 C THR A 82 6.188 6.084 0.382 1.00 0.00 C ATOM 1182 O THR A 82 5.115 5.535 0.132 1.00 0.00 O ATOM 1183 CB THR A 82 5.510 7.740 2.121 1.00 0.00 C ATOM 1184 OG1 THR A 82 5.045 9.089 2.245 1.00 0.00 O ATOM 1185 CG2 THR A 82 6.430 7.407 3.286 1.00 0.00 C ATOM 0 H THR A 82 4.713 8.139 -0.536 1.00 0.00 H new ATOM 0 HA THR A 82 7.279 7.864 0.889 1.00 0.00 H new ATOM 0 HB THR A 82 4.660 7.059 2.144 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.085 9.123 2.050 1.00 0.00 H new ATOM 0 HG21 THR A 82 5.893 7.544 4.225 1.00 0.00 H new ATOM 0 HG22 THR A 82 6.760 6.371 3.205 1.00 0.00 H new ATOM 0 HG23 THR A 82 7.298 8.067 3.265 1.00 0.00 H new ATOM 1193 N TYR A 83 7.355 5.451 0.328 1.00 0.00 N ATOM 1194 CA TYR A 83 7.443 4.042 -0.038 1.00 0.00 C ATOM 1195 C TYR A 83 7.413 3.154 1.202 1.00 0.00 C ATOM 1196 O TYR A 83 7.784 3.582 2.296 1.00 0.00 O ATOM 1197 CB TYR A 83 8.721 3.780 -0.836 1.00 0.00 C ATOM 1198 CG TYR A 83 8.737 4.450 -2.191 1.00 0.00 C ATOM 1199 CD1 TYR A 83 9.157 5.767 -2.332 1.00 0.00 C ATOM 1200 CD2 TYR A 83 8.334 3.766 -3.331 1.00 0.00 C ATOM 1201 CE1 TYR A 83 9.172 6.384 -3.568 1.00 0.00 C ATOM 1202 CE2 TYR A 83 8.347 4.374 -4.571 1.00 0.00 C ATOM 1203 CZ TYR A 83 8.767 5.683 -4.685 1.00 0.00 C ATOM 1204 OH TYR A 83 8.782 6.293 -5.918 1.00 0.00 O ATOM 0 H TYR A 83 8.252 5.891 0.533 1.00 0.00 H new ATOM 0 HA TYR A 83 6.580 3.799 -0.657 1.00 0.00 H new ATOM 0 HB2 TYR A 83 9.578 4.127 -0.258 1.00 0.00 H new ATOM 0 HB3 TYR A 83 8.842 2.705 -0.970 1.00 0.00 H new ATOM 0 HD1 TYR A 83 9.477 6.318 -1.460 1.00 0.00 H new ATOM 0 HD2 TYR A 83 8.005 2.741 -3.246 1.00 0.00 H new ATOM 0 HE1 TYR A 83 9.499 7.409 -3.659 1.00 0.00 H new ATOM 0 HE2 TYR A 83 8.030 3.827 -5.447 1.00 0.00 H new ATOM 0 HH TYR A 83 8.468 5.662 -6.599 1.00 0.00 H new ATOM 1214 N PHE A 84 6.970 1.914 1.023 1.00 0.00 N ATOM 1215 CA PHE A 84 6.891 0.964 2.127 1.00 0.00 C ATOM 1216 C PHE A 84 7.132 -0.461 1.636 1.00 0.00 C ATOM 1217 O PHE A 84 6.276 -1.057 0.982 1.00 0.00 O ATOM 1218 CB PHE A 84 5.525 1.056 2.810 1.00 0.00 C ATOM 1219 CG PHE A 84 5.101 2.464 3.117 1.00 0.00 C ATOM 1220 CD1 PHE A 84 4.449 3.228 2.163 1.00 0.00 C ATOM 1221 CD2 PHE A 84 5.355 3.022 4.359 1.00 0.00 C ATOM 1222 CE1 PHE A 84 4.059 4.524 2.443 1.00 0.00 C ATOM 1223 CE2 PHE A 84 4.967 4.318 4.645 1.00 0.00 C ATOM 1224 CZ PHE A 84 4.317 5.070 3.685 1.00 0.00 C ATOM 0 H PHE A 84 6.660 1.543 0.125 1.00 0.00 H new ATOM 0 HA PHE A 84 7.668 1.218 2.848 1.00 0.00 H new ATOM 0 HB2 PHE A 84 4.776 0.591 2.169 1.00 0.00 H new ATOM 0 HB3 PHE A 84 5.552 0.483 3.737 1.00 0.00 H new ATOM 0 HD1 PHE A 84 4.243 2.806 1.190 1.00 0.00 H new ATOM 0 HD2 PHE A 84 5.862 2.438 5.113 1.00 0.00 H new ATOM 0 HE1 PHE A 84 3.552 5.110 1.690 1.00 0.00 H new ATOM 0 HE2 PHE A 84 5.172 4.742 5.617 1.00 0.00 H new ATOM 0 HZ PHE A 84 4.012 6.082 3.905 1.00 0.00 H new ATOM 1234 N SER A 85 8.303 -1.001 1.957 1.00 0.00 N ATOM 1235 CA SER A 85 8.660 -2.353 1.545 1.00 0.00 C ATOM 1236 C SER A 85 7.975 -3.389 2.432 1.00 0.00 C ATOM 1237 O SER A 85 8.295 -3.521 3.614 1.00 0.00 O ATOM 1238 CB SER A 85 10.177 -2.542 1.599 1.00 0.00 C ATOM 1239 OG SER A 85 10.514 -3.890 1.876 1.00 0.00 O ATOM 0 H SER A 85 9.021 -0.523 2.501 1.00 0.00 H new ATOM 0 HA SER A 85 8.320 -2.496 0.519 1.00 0.00 H new ATOM 0 HB2 SER A 85 10.618 -2.242 0.648 1.00 0.00 H new ATOM 0 HB3 SER A 85 10.600 -1.893 2.366 1.00 0.00 H new ATOM 0 HG SER A 85 11.489 -3.984 1.904 1.00 0.00 H new ATOM 1245 N VAL A 86 7.031 -4.123 1.853 1.00 0.00 N ATOM 1246 CA VAL A 86 6.300 -5.148 2.588 1.00 0.00 C ATOM 1247 C VAL A 86 6.696 -6.545 2.123 1.00 0.00 C ATOM 1248 O VAL A 86 6.879 -6.785 0.930 1.00 0.00 O ATOM 1249 CB VAL A 86 4.778 -4.978 2.428 1.00 0.00 C ATOM 1250 CG1 VAL A 86 4.042 -6.180 3.000 1.00 0.00 C ATOM 1251 CG2 VAL A 86 4.314 -3.691 3.094 1.00 0.00 C ATOM 0 H VAL A 86 6.754 -4.027 0.876 1.00 0.00 H new ATOM 0 HA VAL A 86 6.562 -5.030 3.639 1.00 0.00 H new ATOM 0 HB VAL A 86 4.547 -4.914 1.365 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.968 -6.041 2.877 1.00 0.00 H new ATOM 0 HG12 VAL A 86 4.354 -7.082 2.473 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.276 -6.280 4.060 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.236 -3.586 2.972 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.557 -3.723 4.156 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.816 -2.841 2.632 1.00 0.00 H new ATOM 1261 N ASN A 87 6.826 -7.465 3.074 1.00 0.00 N ATOM 1262 CA ASN A 87 7.200 -8.840 2.761 1.00 0.00 C ATOM 1263 C ASN A 87 6.450 -9.824 3.654 1.00 0.00 C ATOM 1264 O ASN A 87 6.750 -9.955 4.841 1.00 0.00 O ATOM 1265 CB ASN A 87 8.709 -9.030 2.928 1.00 0.00 C ATOM 1266 CG ASN A 87 9.268 -10.073 1.981 1.00 0.00 C ATOM 1267 OD1 ASN A 87 9.183 -9.930 0.761 1.00 0.00 O ATOM 1268 ND2 ASN A 87 9.844 -11.132 2.539 1.00 0.00 N ATOM 0 H ASN A 87 6.678 -7.284 4.067 1.00 0.00 H new ATOM 0 HA ASN A 87 6.928 -9.038 1.724 1.00 0.00 H new ATOM 0 HB2 ASN A 87 9.213 -8.079 2.756 1.00 0.00 H new ATOM 0 HB3 ASN A 87 8.924 -9.324 3.955 1.00 0.00 H new ATOM 0 HD21 ASN A 87 10.238 -11.867 1.952 1.00 0.00 H new ATOM 0 HD22 ASN A 87 9.893 -11.210 3.555 1.00 0.00 H new ATOM 1275 N VAL A 88 5.473 -10.514 3.074 1.00 0.00 N ATOM 1276 CA VAL A 88 4.681 -11.488 3.816 1.00 0.00 C ATOM 1277 C VAL A 88 5.163 -12.909 3.545 1.00 0.00 C ATOM 1278 O VAL A 88 5.124 -13.383 2.410 1.00 0.00 O ATOM 1279 CB VAL A 88 3.187 -11.387 3.456 1.00 0.00 C ATOM 1280 CG1 VAL A 88 2.363 -12.325 4.326 1.00 0.00 C ATOM 1281 CG2 VAL A 88 2.701 -9.952 3.598 1.00 0.00 C ATOM 0 H VAL A 88 5.211 -10.417 2.093 1.00 0.00 H new ATOM 0 HA VAL A 88 4.808 -11.260 4.874 1.00 0.00 H new ATOM 0 HB VAL A 88 3.061 -11.689 2.416 1.00 0.00 H new ATOM 0 HG11 VAL A 88 1.310 -12.240 4.057 1.00 0.00 H new ATOM 0 HG12 VAL A 88 2.695 -13.351 4.170 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.493 -12.057 5.374 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.643 -9.899 3.340 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.840 -9.621 4.627 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.271 -9.307 2.929 1.00 0.00 H new ATOM 1291 N SER A 89 5.616 -13.584 4.596 1.00 0.00 N ATOM 1292 CA SER A 89 6.109 -14.951 4.472 1.00 0.00 C ATOM 1293 C SER A 89 6.188 -15.627 5.838 1.00 0.00 C ATOM 1294 O SER A 89 6.637 -15.027 6.814 1.00 0.00 O ATOM 1295 CB SER A 89 7.486 -14.961 3.806 1.00 0.00 C ATOM 1296 OG SER A 89 7.791 -16.242 3.282 1.00 0.00 O ATOM 0 H SER A 89 5.652 -13.207 5.543 1.00 0.00 H new ATOM 0 HA SER A 89 5.408 -15.508 3.850 1.00 0.00 H new ATOM 0 HB2 SER A 89 7.511 -14.222 3.005 1.00 0.00 H new ATOM 0 HB3 SER A 89 8.246 -14.671 4.531 1.00 0.00 H new ATOM 0 HG SER A 89 8.675 -16.221 2.860 1.00 0.00 H new ATOM 1302 N ASP A 90 5.747 -16.879 5.897 1.00 0.00 N ATOM 1303 CA ASP A 90 5.768 -17.638 7.142 1.00 0.00 C ATOM 1304 C ASP A 90 7.125 -17.520 7.828 1.00 0.00 C ATOM 1305 O ASP A 90 7.243 -17.734 9.034 1.00 0.00 O ATOM 1306 CB ASP A 90 5.444 -19.109 6.873 1.00 0.00 C ATOM 1307 CG ASP A 90 6.684 -19.930 6.579 1.00 0.00 C ATOM 1308 OD1 ASP A 90 7.238 -19.792 5.468 1.00 0.00 O ATOM 1309 OD2 ASP A 90 7.102 -20.709 7.460 1.00 0.00 O ATOM 0 H ASP A 90 5.371 -17.389 5.098 1.00 0.00 H new ATOM 0 HA ASP A 90 5.009 -17.222 7.805 1.00 0.00 H new ATOM 0 HB2 ASP A 90 4.930 -19.529 7.738 1.00 0.00 H new ATOM 0 HB3 ASP A 90 4.757 -19.178 6.029 1.00 0.00 H new ATOM 1314 N ALA A 91 8.148 -17.180 7.050 1.00 0.00 N ATOM 1315 CA ALA A 91 9.497 -17.033 7.583 1.00 0.00 C ATOM 1316 C ALA A 91 9.647 -15.719 8.342 1.00 0.00 C ATOM 1317 O ALA A 91 9.575 -14.639 7.753 1.00 0.00 O ATOM 1318 CB ALA A 91 10.520 -17.117 6.460 1.00 0.00 C ATOM 0 H ALA A 91 8.068 -17.001 6.049 1.00 0.00 H new ATOM 0 HA ALA A 91 9.676 -17.849 8.284 1.00 0.00 H new ATOM 0 HB1 ALA A 91 11.523 -17.006 6.872 1.00 0.00 H new ATOM 0 HB2 ALA A 91 10.437 -18.084 5.964 1.00 0.00 H new ATOM 0 HB3 ALA A 91 10.334 -16.322 5.738 1.00 0.00 H new ATOM 1324 N LEU A 92 9.856 -15.816 9.650 1.00 0.00 N ATOM 1325 CA LEU A 92 10.016 -14.634 10.490 1.00 0.00 C ATOM 1326 C LEU A 92 11.180 -14.809 11.460 1.00 0.00 C ATOM 1327 O LEU A 92 11.468 -15.910 11.930 1.00 0.00 O ATOM 1328 CB LEU A 92 8.728 -14.357 11.265 1.00 0.00 C ATOM 1329 CG LEU A 92 7.438 -14.345 10.443 1.00 0.00 C ATOM 1330 CD1 LEU A 92 6.249 -14.732 11.309 1.00 0.00 C ATOM 1331 CD2 LEU A 92 7.220 -12.977 9.814 1.00 0.00 C ATOM 0 H LEU A 92 9.919 -16.701 10.152 1.00 0.00 H new ATOM 0 HA LEU A 92 10.232 -13.784 9.842 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.630 -15.110 12.047 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.827 -13.392 11.762 1.00 0.00 H new ATOM 0 HG LEU A 92 7.532 -15.080 9.643 1.00 0.00 H new ATOM 0 HD11 LEU A 92 5.340 -14.718 10.707 1.00 0.00 H new ATOM 0 HD12 LEU A 92 6.402 -15.733 11.711 1.00 0.00 H new ATOM 0 HD13 LEU A 92 6.151 -14.022 12.131 1.00 0.00 H new ATOM 0 HD21 LEU A 92 6.298 -12.987 9.233 1.00 0.00 H new ATOM 0 HD22 LEU A 92 7.147 -12.223 10.598 1.00 0.00 H new ATOM 0 HD23 LEU A 92 8.059 -12.740 9.160 1.00 0.00 H new ATOM 1343 N PRO A 93 11.865 -13.699 11.769 1.00 0.00 N ATOM 1344 CA PRO A 93 13.007 -13.703 12.689 1.00 0.00 C ATOM 1345 C PRO A 93 12.588 -13.964 14.132 1.00 0.00 C ATOM 1346 O PRO A 93 11.907 -13.145 14.749 1.00 0.00 O ATOM 1347 CB PRO A 93 13.582 -12.292 12.547 1.00 0.00 C ATOM 1348 CG PRO A 93 12.432 -11.457 12.099 1.00 0.00 C ATOM 1349 CD PRO A 93 11.578 -12.353 11.246 1.00 0.00 C ATOM 0 HA PRO A 93 13.718 -14.494 12.452 1.00 0.00 H new ATOM 0 HB2 PRO A 93 13.987 -11.933 13.493 1.00 0.00 H new ATOM 0 HB3 PRO A 93 14.395 -12.267 11.822 1.00 0.00 H new ATOM 0 HG2 PRO A 93 11.869 -11.078 12.952 1.00 0.00 H new ATOM 0 HG3 PRO A 93 12.775 -10.591 11.533 1.00 0.00 H new ATOM 0 HD2 PRO A 93 10.521 -12.104 11.336 1.00 0.00 H new ATOM 0 HD3 PRO A 93 11.837 -12.269 10.191 1.00 0.00 H new ATOM 1357 N SER A 94 13.000 -15.111 14.664 1.00 0.00 N ATOM 1358 CA SER A 94 12.664 -15.481 16.034 1.00 0.00 C ATOM 1359 C SER A 94 13.569 -16.605 16.529 1.00 0.00 C ATOM 1360 O SER A 94 13.937 -17.501 15.771 1.00 0.00 O ATOM 1361 CB SER A 94 11.199 -15.914 16.123 1.00 0.00 C ATOM 1362 OG SER A 94 10.919 -16.958 15.207 1.00 0.00 O ATOM 0 H SER A 94 13.566 -15.799 14.168 1.00 0.00 H new ATOM 0 HA SER A 94 12.816 -14.608 16.669 1.00 0.00 H new ATOM 0 HB2 SER A 94 10.976 -16.246 17.137 1.00 0.00 H new ATOM 0 HB3 SER A 94 10.552 -15.062 15.917 1.00 0.00 H new ATOM 0 HG SER A 94 9.977 -17.218 15.285 1.00 0.00 H new ATOM 1368 N GLY A 95 13.923 -16.550 17.810 1.00 0.00 N ATOM 1369 CA GLY A 95 14.782 -17.568 18.386 1.00 0.00 C ATOM 1370 C GLY A 95 14.011 -18.800 18.819 1.00 0.00 C ATOM 1371 O GLY A 95 12.830 -18.959 18.511 1.00 0.00 O ATOM 0 H GLY A 95 13.630 -15.819 18.458 1.00 0.00 H new ATOM 0 HA2 GLY A 95 15.540 -17.855 17.657 1.00 0.00 H new ATOM 0 HA3 GLY A 95 15.308 -17.152 19.245 1.00 0.00 H new ATOM 1375 N PRO A 96 14.687 -19.699 19.549 1.00 0.00 N ATOM 1376 CA PRO A 96 14.078 -20.939 20.040 1.00 0.00 C ATOM 1377 C PRO A 96 13.043 -20.686 21.130 1.00 0.00 C ATOM 1378 O PRO A 96 12.974 -19.592 21.691 1.00 0.00 O ATOM 1379 CB PRO A 96 15.268 -21.720 20.603 1.00 0.00 C ATOM 1380 CG PRO A 96 16.270 -20.678 20.961 1.00 0.00 C ATOM 1381 CD PRO A 96 16.097 -19.574 19.954 1.00 0.00 C ATOM 0 HA PRO A 96 13.538 -21.466 19.254 1.00 0.00 H new ATOM 0 HB2 PRO A 96 14.979 -22.307 21.475 1.00 0.00 H new ATOM 0 HB3 PRO A 96 15.668 -22.417 19.867 1.00 0.00 H new ATOM 0 HG2 PRO A 96 16.107 -20.311 21.974 1.00 0.00 H new ATOM 0 HG3 PRO A 96 17.282 -21.082 20.928 1.00 0.00 H new ATOM 0 HD2 PRO A 96 16.305 -18.597 20.390 1.00 0.00 H new ATOM 0 HD3 PRO A 96 16.771 -19.695 19.106 1.00 0.00 H new ATOM 1389 N SER A 97 12.240 -21.703 21.426 1.00 0.00 N ATOM 1390 CA SER A 97 11.205 -21.588 22.447 1.00 0.00 C ATOM 1391 C SER A 97 11.781 -21.852 23.835 1.00 0.00 C ATOM 1392 O SER A 97 12.386 -22.896 24.080 1.00 0.00 O ATOM 1393 CB SER A 97 10.066 -22.567 22.161 1.00 0.00 C ATOM 1394 OG SER A 97 10.479 -23.907 22.369 1.00 0.00 O ATOM 0 H SER A 97 12.286 -22.616 20.973 1.00 0.00 H new ATOM 0 HA SER A 97 10.815 -20.571 22.421 1.00 0.00 H new ATOM 0 HB2 SER A 97 9.217 -22.341 22.807 1.00 0.00 H new ATOM 0 HB3 SER A 97 9.726 -22.444 21.133 1.00 0.00 H new ATOM 0 HG SER A 97 11.298 -23.917 22.907 1.00 0.00 H new ATOM 1400 N SER A 98 11.589 -20.897 24.740 1.00 0.00 N ATOM 1401 CA SER A 98 12.092 -21.024 26.103 1.00 0.00 C ATOM 1402 C SER A 98 11.508 -22.257 26.785 1.00 0.00 C ATOM 1403 O SER A 98 10.353 -22.258 27.208 1.00 0.00 O ATOM 1404 CB SER A 98 11.753 -19.770 26.912 1.00 0.00 C ATOM 1405 OG SER A 98 12.077 -19.944 28.281 1.00 0.00 O ATOM 0 H SER A 98 11.089 -20.028 24.554 1.00 0.00 H new ATOM 0 HA SER A 98 13.175 -21.136 26.056 1.00 0.00 H new ATOM 0 HB2 SER A 98 12.299 -18.916 26.511 1.00 0.00 H new ATOM 0 HB3 SER A 98 10.691 -19.545 26.812 1.00 0.00 H new ATOM 0 HG SER A 98 11.853 -19.129 28.776 1.00 0.00 H new ATOM 1411 N GLY A 99 12.317 -23.307 26.889 1.00 0.00 N ATOM 1412 CA GLY A 99 11.865 -24.533 27.520 1.00 0.00 C ATOM 1413 C GLY A 99 11.300 -24.296 28.907 1.00 0.00 C ATOM 1414 O GLY A 99 11.807 -24.836 29.891 1.00 0.00 O ATOM 0 H GLY A 99 13.278 -23.330 26.547 1.00 0.00 H new ATOM 0 HA2 GLY A 99 11.103 -25.000 26.896 1.00 0.00 H new ATOM 0 HA3 GLY A 99 12.698 -25.233 27.585 1.00 0.00 H new TER 1418 GLY A 99