USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 784 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 39 HIS HD1 : A 39 HIS ND1 : A 106 CUCU :(H bumps) USER MOD NoAdj-H: A 92 HIS HD1 : A 92 HIS ND1 : A 106 CUCU :(H bumps) USER MOD Set 1.1: A 40 ASN : amide:sc= -0.657 K(o=-6.1,f=-8.5!) USER MOD Set 1.2: A 61 HIS : no HE2:sc= -5.44! C(o=-6.1!,f=-11!) USER MOD Single : A 1 GLU N :NH3+ 142:sc= 0.0461 (180deg=-1.7!) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0352 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0.0128 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -9.2! C(o=-9.2!,f=-19!) USER MOD Single : A 34 ASN : amide:sc= -3.51! C(o=-3.5!,f=-3.4!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.0915! C(o=-0.091!,f=-7.9!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 83:sc= 0.88 USER MOD Single : A 57 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000807) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 72:sc= -3.75! USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.755! X(o=-0.76!,f=-1.2) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= -1.79! USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 71 SER OG : rot 142:sc= 0.202 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc=-0.00221 USER MOD Single : A 74 THR OG1 : rot 120:sc= 0.266! USER MOD Single : A 75 THR OG1 : rot -66:sc= 0.311 USER MOD Single : A 85 TYR OH : rot 22:sc= -1.1 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl 145:sc= -10.1! (180deg=-13.6!) USER MOD Single : A 100 LYS NZ :NH3+ -114:sc= 0.0103 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 4.195 16.444 3.560 1.00 0.00 N ATOM 2 CA GLU A 1 2.832 16.199 3.008 1.00 0.00 C ATOM 3 C GLU A 1 2.458 14.729 3.210 1.00 0.00 C ATOM 4 O GLU A 1 3.290 13.906 3.537 1.00 0.00 O ATOM 5 CB GLU A 1 2.820 16.530 1.513 1.00 0.00 C ATOM 6 CG GLU A 1 4.033 15.889 0.836 1.00 0.00 C ATOM 7 CD GLU A 1 4.957 16.984 0.301 1.00 0.00 C ATOM 8 OE1 GLU A 1 5.267 17.891 1.056 1.00 0.00 O ATOM 9 OE2 GLU A 1 5.339 16.896 -0.854 1.00 0.00 O ATOM 0 H1 GLU A 1 4.705 17.108 2.943 1.00 0.00 H new ATOM 0 H2 GLU A 1 4.115 16.849 4.514 1.00 0.00 H new ATOM 0 H3 GLU A 1 4.717 15.546 3.608 1.00 0.00 H new ATOM 0 HA GLU A 1 2.110 16.831 3.525 1.00 0.00 H new ATOM 0 HB2 GLU A 1 1.900 16.164 1.057 1.00 0.00 H new ATOM 0 HB3 GLU A 1 2.839 17.610 1.369 1.00 0.00 H new ATOM 0 HG2 GLU A 1 4.570 15.261 1.547 1.00 0.00 H new ATOM 0 HG3 GLU A 1 3.708 15.242 0.021 1.00 0.00 H new ATOM 18 N THR A 2 1.211 14.392 3.020 1.00 0.00 N ATOM 19 CA THR A 2 0.784 12.976 3.202 1.00 0.00 C ATOM 20 C THR A 2 0.295 12.415 1.866 1.00 0.00 C ATOM 21 O THR A 2 0.077 13.143 0.918 1.00 0.00 O ATOM 22 CB THR A 2 -0.352 12.913 4.227 1.00 0.00 C ATOM 23 OG1 THR A 2 -0.294 14.058 5.066 1.00 0.00 O ATOM 24 CG2 THR A 2 -0.211 11.648 5.075 1.00 0.00 C ATOM 0 H THR A 2 0.470 15.037 2.746 1.00 0.00 H new ATOM 0 HA THR A 2 1.628 12.385 3.558 1.00 0.00 H new ATOM 0 HB THR A 2 -1.309 12.891 3.706 1.00 0.00 H new ATOM 0 HG1 THR A 2 -1.021 14.020 5.722 1.00 0.00 H new ATOM 0 HG21 THR A 2 -1.021 11.606 5.803 1.00 0.00 H new ATOM 0 HG22 THR A 2 -0.257 10.771 4.430 1.00 0.00 H new ATOM 0 HG23 THR A 2 0.746 11.665 5.597 1.00 0.00 H new ATOM 32 N TYR A 3 0.118 11.125 1.783 1.00 0.00 N ATOM 33 CA TYR A 3 -0.360 10.516 0.509 1.00 0.00 C ATOM 34 C TYR A 3 -1.525 9.570 0.806 1.00 0.00 C ATOM 35 O TYR A 3 -1.334 8.410 1.110 1.00 0.00 O ATOM 36 CB TYR A 3 0.783 9.733 -0.142 1.00 0.00 C ATOM 37 CG TYR A 3 1.777 10.698 -0.743 1.00 0.00 C ATOM 38 CD1 TYR A 3 1.560 11.222 -2.024 1.00 0.00 C ATOM 39 CD2 TYR A 3 2.916 11.068 -0.019 1.00 0.00 C ATOM 40 CE1 TYR A 3 2.484 12.116 -2.579 1.00 0.00 C ATOM 41 CE2 TYR A 3 3.839 11.961 -0.574 1.00 0.00 C ATOM 42 CZ TYR A 3 3.623 12.486 -1.854 1.00 0.00 C ATOM 43 OH TYR A 3 4.533 13.367 -2.401 1.00 0.00 O ATOM 0 H TYR A 3 0.284 10.465 2.543 1.00 0.00 H new ATOM 0 HA TYR A 3 -0.693 11.301 -0.170 1.00 0.00 H new ATOM 0 HB2 TYR A 3 1.275 9.103 0.599 1.00 0.00 H new ATOM 0 HB3 TYR A 3 0.391 9.071 -0.914 1.00 0.00 H new ATOM 0 HD1 TYR A 3 0.681 10.937 -2.583 1.00 0.00 H new ATOM 0 HD2 TYR A 3 3.083 10.664 0.969 1.00 0.00 H new ATOM 0 HE1 TYR A 3 2.318 12.520 -3.567 1.00 0.00 H new ATOM 0 HE2 TYR A 3 4.718 12.245 -0.015 1.00 0.00 H new ATOM 0 HH TYR A 3 5.264 13.518 -1.766 1.00 0.00 H new ATOM 53 N THR A 4 -2.733 10.058 0.724 1.00 0.00 N ATOM 54 CA THR A 4 -3.910 9.188 1.005 1.00 0.00 C ATOM 55 C THR A 4 -4.413 8.568 -0.300 1.00 0.00 C ATOM 56 O THR A 4 -5.065 9.216 -1.095 1.00 0.00 O ATOM 57 CB THR A 4 -5.029 10.027 1.629 1.00 0.00 C ATOM 58 OG1 THR A 4 -4.562 11.352 1.842 1.00 0.00 O ATOM 59 CG2 THR A 4 -5.452 9.411 2.965 1.00 0.00 C ATOM 0 H THR A 4 -2.955 11.022 0.475 1.00 0.00 H new ATOM 0 HA THR A 4 -3.616 8.397 1.695 1.00 0.00 H new ATOM 0 HB THR A 4 -5.886 10.046 0.956 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.277 11.891 2.240 1.00 0.00 H new ATOM 0 HG21 THR A 4 -6.248 10.010 3.406 1.00 0.00 H new ATOM 0 HG22 THR A 4 -5.811 8.395 2.800 1.00 0.00 H new ATOM 0 HG23 THR A 4 -4.598 9.388 3.642 1.00 0.00 H new ATOM 67 N VAL A 5 -4.119 7.317 -0.527 1.00 0.00 N ATOM 68 CA VAL A 5 -4.583 6.659 -1.777 1.00 0.00 C ATOM 69 C VAL A 5 -5.882 5.902 -1.497 1.00 0.00 C ATOM 70 O VAL A 5 -5.895 4.908 -0.798 1.00 0.00 O ATOM 71 CB VAL A 5 -3.515 5.679 -2.262 1.00 0.00 C ATOM 72 CG1 VAL A 5 -2.333 6.457 -2.844 1.00 0.00 C ATOM 73 CG2 VAL A 5 -3.035 4.824 -1.087 1.00 0.00 C ATOM 0 H VAL A 5 -3.577 6.723 0.101 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.758 7.413 -2.545 1.00 0.00 H new ATOM 0 HB VAL A 5 -3.938 5.034 -3.032 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.572 5.758 -3.190 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.675 7.065 -3.682 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.909 7.104 -2.076 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.273 4.125 -1.433 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.613 5.469 -0.316 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -3.877 4.268 -0.674 1.00 0.00 H new ATOM 83 N LYS A 6 -6.977 6.366 -2.034 1.00 0.00 N ATOM 84 CA LYS A 6 -8.273 5.673 -1.795 1.00 0.00 C ATOM 85 C LYS A 6 -8.377 4.456 -2.715 1.00 0.00 C ATOM 86 O LYS A 6 -8.101 4.532 -3.896 1.00 0.00 O ATOM 87 CB LYS A 6 -9.428 6.633 -2.088 1.00 0.00 C ATOM 88 CG LYS A 6 -9.123 8.001 -1.474 1.00 0.00 C ATOM 89 CD LYS A 6 -10.414 8.615 -0.926 1.00 0.00 C ATOM 90 CE LYS A 6 -10.349 10.138 -1.056 1.00 0.00 C ATOM 91 NZ LYS A 6 -11.718 10.677 -1.298 1.00 0.00 N ATOM 0 H LYS A 6 -7.030 7.194 -2.627 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.325 5.349 -0.755 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.571 6.729 -3.164 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.357 6.237 -1.677 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.389 7.897 -0.675 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -8.685 8.659 -2.225 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -11.274 8.229 -1.473 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -10.548 8.334 0.118 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -9.931 10.573 -0.148 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -9.687 10.415 -1.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -11.673 11.712 -1.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -12.101 10.271 -2.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -12.337 10.424 -0.501 1.00 0.00 H new ATOM 105 N LEU A 7 -8.772 3.332 -2.184 1.00 0.00 N ATOM 106 CA LEU A 7 -8.891 2.113 -3.033 1.00 0.00 C ATOM 107 C LEU A 7 -10.368 1.751 -3.214 1.00 0.00 C ATOM 108 O LEU A 7 -10.855 0.793 -2.647 1.00 0.00 O ATOM 109 CB LEU A 7 -8.155 0.915 -2.400 1.00 0.00 C ATOM 110 CG LEU A 7 -7.918 1.103 -0.896 1.00 0.00 C ATOM 111 CD1 LEU A 7 -6.956 2.268 -0.657 1.00 0.00 C ATOM 112 CD2 LEU A 7 -9.252 1.357 -0.186 1.00 0.00 C ATOM 0 H LEU A 7 -9.017 3.205 -1.202 1.00 0.00 H new ATOM 0 HA LEU A 7 -8.435 2.332 -3.998 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.736 0.008 -2.563 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.197 0.774 -2.901 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.471 0.196 -0.489 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.795 2.393 0.414 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.004 2.060 -1.146 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.383 3.183 -1.069 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -9.077 1.490 0.882 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.715 2.256 -0.592 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -9.915 0.506 -0.342 1.00 0.00 H new ATOM 124 N GLY A 8 -11.085 2.501 -4.007 1.00 0.00 N ATOM 125 CA GLY A 8 -12.526 2.186 -4.222 1.00 0.00 C ATOM 126 C GLY A 8 -13.225 3.377 -4.878 1.00 0.00 C ATOM 127 O GLY A 8 -13.926 4.130 -4.232 1.00 0.00 O ATOM 0 H GLY A 8 -10.737 3.315 -4.513 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -12.624 1.303 -4.853 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -13.002 1.952 -3.270 1.00 0.00 H new ATOM 131 N SER A 9 -13.046 3.550 -6.159 1.00 0.00 N ATOM 132 CA SER A 9 -13.707 4.690 -6.854 1.00 0.00 C ATOM 133 C SER A 9 -15.182 4.736 -6.453 1.00 0.00 C ATOM 134 O SER A 9 -15.789 5.787 -6.397 1.00 0.00 O ATOM 135 CB SER A 9 -13.599 4.497 -8.366 1.00 0.00 C ATOM 136 OG SER A 9 -13.703 3.113 -8.671 1.00 0.00 O ATOM 0 H SER A 9 -12.472 2.952 -6.753 1.00 0.00 H new ATOM 0 HA SER A 9 -13.219 5.623 -6.572 1.00 0.00 H new ATOM 0 HB2 SER A 9 -14.388 5.053 -8.872 1.00 0.00 H new ATOM 0 HB3 SER A 9 -12.649 4.891 -8.728 1.00 0.00 H new ATOM 0 HG SER A 9 -13.636 2.986 -9.640 1.00 0.00 H new ATOM 142 N ASP A 10 -15.763 3.601 -6.175 1.00 0.00 N ATOM 143 CA ASP A 10 -17.198 3.571 -5.776 1.00 0.00 C ATOM 144 C ASP A 10 -18.078 3.774 -7.012 1.00 0.00 C ATOM 145 O ASP A 10 -19.236 4.128 -6.908 1.00 0.00 O ATOM 146 CB ASP A 10 -17.472 4.691 -4.770 1.00 0.00 C ATOM 147 CG ASP A 10 -18.509 4.218 -3.750 1.00 0.00 C ATOM 148 OD1 ASP A 10 -19.196 3.252 -4.039 1.00 0.00 O ATOM 149 OD2 ASP A 10 -18.600 4.830 -2.699 1.00 0.00 O ATOM 0 H ASP A 10 -15.304 2.691 -6.207 1.00 0.00 H new ATOM 0 HA ASP A 10 -17.426 2.607 -5.321 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -16.549 4.972 -4.263 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -17.834 5.579 -5.288 1.00 0.00 H new ATOM 154 N LYS A 11 -17.540 3.555 -8.181 1.00 0.00 N ATOM 155 CA LYS A 11 -18.350 3.740 -9.419 1.00 0.00 C ATOM 156 C LYS A 11 -18.113 2.565 -10.372 1.00 0.00 C ATOM 157 O LYS A 11 -18.565 2.571 -11.500 1.00 0.00 O ATOM 158 CB LYS A 11 -17.938 5.042 -10.107 1.00 0.00 C ATOM 159 CG LYS A 11 -18.765 6.201 -9.547 1.00 0.00 C ATOM 160 CD LYS A 11 -18.122 7.527 -9.955 1.00 0.00 C ATOM 161 CE LYS A 11 -18.677 8.655 -9.085 1.00 0.00 C ATOM 162 NZ LYS A 11 -17.605 9.160 -8.180 1.00 0.00 N ATOM 0 H LYS A 11 -16.576 3.257 -8.332 1.00 0.00 H new ATOM 0 HA LYS A 11 -19.407 3.784 -9.155 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -16.876 5.229 -9.948 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -18.089 4.960 -11.183 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -19.787 6.149 -9.923 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -18.821 6.131 -8.461 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -17.039 7.467 -9.844 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -18.323 7.732 -11.006 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -19.048 9.464 -9.714 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -19.522 8.294 -8.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -17.983 9.927 -7.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -17.271 8.386 -7.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -16.812 9.520 -8.748 1.00 0.00 H new ATOM 176 N GLY A 12 -17.408 1.559 -9.933 1.00 0.00 N ATOM 177 CA GLY A 12 -17.149 0.391 -10.823 1.00 0.00 C ATOM 178 C GLY A 12 -16.447 -0.716 -10.035 1.00 0.00 C ATOM 179 O GLY A 12 -17.061 -1.677 -9.616 1.00 0.00 O ATOM 0 H GLY A 12 -17.001 1.495 -9.000 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -18.088 0.019 -11.232 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -16.532 0.696 -11.668 1.00 0.00 H new ATOM 183 N LEU A 13 -15.163 -0.594 -9.836 1.00 0.00 N ATOM 184 CA LEU A 13 -14.423 -1.646 -9.082 1.00 0.00 C ATOM 185 C LEU A 13 -13.537 -0.994 -8.021 1.00 0.00 C ATOM 186 O LEU A 13 -13.607 0.195 -7.780 1.00 0.00 O ATOM 187 CB LEU A 13 -13.543 -2.438 -10.050 1.00 0.00 C ATOM 188 CG LEU A 13 -14.114 -3.844 -10.231 1.00 0.00 C ATOM 189 CD1 LEU A 13 -14.806 -3.941 -11.592 1.00 0.00 C ATOM 190 CD2 LEU A 13 -12.976 -4.866 -10.161 1.00 0.00 C ATOM 0 H LEU A 13 -14.595 0.188 -10.162 1.00 0.00 H new ATOM 0 HA LEU A 13 -15.138 -2.313 -8.600 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -13.494 -1.928 -11.012 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -12.524 -2.495 -9.667 1.00 0.00 H new ATOM 0 HG LEU A 13 -14.837 -4.050 -9.442 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -15.214 -4.943 -11.722 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -15.614 -3.211 -11.642 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -14.084 -3.737 -12.383 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -13.380 -5.870 -10.290 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -12.254 -4.661 -10.952 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -12.482 -4.795 -9.192 1.00 0.00 H new ATOM 202 N LEU A 14 -12.696 -1.767 -7.390 1.00 0.00 N ATOM 203 CA LEU A 14 -11.795 -1.200 -6.349 1.00 0.00 C ATOM 204 C LEU A 14 -10.374 -1.121 -6.911 1.00 0.00 C ATOM 205 O LEU A 14 -9.837 -2.093 -7.403 1.00 0.00 O ATOM 206 CB LEU A 14 -11.809 -2.105 -5.115 1.00 0.00 C ATOM 207 CG LEU A 14 -13.247 -2.295 -4.632 1.00 0.00 C ATOM 208 CD1 LEU A 14 -13.365 -3.634 -3.902 1.00 0.00 C ATOM 209 CD2 LEU A 14 -13.618 -1.160 -3.675 1.00 0.00 C ATOM 0 H LEU A 14 -12.594 -2.769 -7.551 1.00 0.00 H new ATOM 0 HA LEU A 14 -12.135 -0.204 -6.067 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -11.365 -3.071 -5.356 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -11.204 -1.665 -4.322 1.00 0.00 H new ATOM 0 HG LEU A 14 -13.922 -2.285 -5.488 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -14.390 -3.771 -3.557 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -13.100 -4.444 -4.582 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -12.690 -3.643 -3.046 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -14.643 -1.295 -3.330 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -12.943 -1.171 -2.819 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -13.532 -0.205 -4.193 1.00 0.00 H new ATOM 221 N VAL A 15 -9.760 0.030 -6.850 1.00 0.00 N ATOM 222 CA VAL A 15 -8.376 0.162 -7.391 1.00 0.00 C ATOM 223 C VAL A 15 -7.674 1.351 -6.732 1.00 0.00 C ATOM 224 O VAL A 15 -8.245 2.413 -6.580 1.00 0.00 O ATOM 225 CB VAL A 15 -8.443 0.396 -8.902 1.00 0.00 C ATOM 226 CG1 VAL A 15 -8.510 -0.948 -9.628 1.00 0.00 C ATOM 227 CG2 VAL A 15 -9.690 1.219 -9.236 1.00 0.00 C ATOM 0 H VAL A 15 -10.155 0.882 -6.451 1.00 0.00 H new ATOM 0 HA VAL A 15 -7.820 -0.751 -7.181 1.00 0.00 H new ATOM 0 HB VAL A 15 -7.553 0.936 -9.224 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -8.558 -0.778 -10.704 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.622 -1.534 -9.392 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -9.399 -1.491 -9.307 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -9.738 1.386 -10.312 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -10.580 0.679 -8.912 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -9.641 2.179 -8.722 1.00 0.00 H new ATOM 237 N PHE A 16 -6.436 1.189 -6.348 1.00 0.00 N ATOM 238 CA PHE A 16 -5.705 2.321 -5.712 1.00 0.00 C ATOM 239 C PHE A 16 -5.796 3.545 -6.625 1.00 0.00 C ATOM 240 O PHE A 16 -6.023 3.426 -7.812 1.00 0.00 O ATOM 241 CB PHE A 16 -4.235 1.943 -5.517 1.00 0.00 C ATOM 242 CG PHE A 16 -4.071 1.179 -4.226 1.00 0.00 C ATOM 243 CD1 PHE A 16 -4.911 0.095 -3.942 1.00 0.00 C ATOM 244 CD2 PHE A 16 -3.075 1.550 -3.315 1.00 0.00 C ATOM 245 CE1 PHE A 16 -4.754 -0.617 -2.747 1.00 0.00 C ATOM 246 CE2 PHE A 16 -2.918 0.838 -2.121 1.00 0.00 C ATOM 247 CZ PHE A 16 -3.757 -0.245 -1.836 1.00 0.00 C ATOM 0 H PHE A 16 -5.902 0.326 -6.447 1.00 0.00 H new ATOM 0 HA PHE A 16 -6.149 2.545 -4.742 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.892 1.337 -6.355 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.618 2.841 -5.500 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -5.680 -0.192 -4.645 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.428 2.386 -3.534 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -5.401 -1.453 -2.527 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.149 1.124 -1.419 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.636 -0.794 -0.914 1.00 0.00 H new ATOM 257 N GLU A 17 -5.621 4.718 -6.086 1.00 0.00 N ATOM 258 CA GLU A 17 -5.703 5.939 -6.935 1.00 0.00 C ATOM 259 C GLU A 17 -4.808 7.035 -6.344 1.00 0.00 C ATOM 260 O GLU A 17 -5.130 7.598 -5.316 1.00 0.00 O ATOM 261 CB GLU A 17 -7.151 6.432 -6.970 1.00 0.00 C ATOM 262 CG GLU A 17 -7.895 5.752 -8.120 1.00 0.00 C ATOM 263 CD GLU A 17 -8.704 6.796 -8.890 1.00 0.00 C ATOM 264 OE1 GLU A 17 -9.557 7.423 -8.282 1.00 0.00 O ATOM 265 OE2 GLU A 17 -8.459 6.952 -10.075 1.00 0.00 O ATOM 0 H GLU A 17 -5.426 4.885 -5.099 1.00 0.00 H new ATOM 0 HA GLU A 17 -5.370 5.704 -7.946 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.644 6.212 -6.023 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.175 7.514 -7.097 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.186 5.261 -8.787 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.556 4.977 -7.732 1.00 0.00 H new ATOM 272 N PRO A 18 -3.709 7.314 -7.007 1.00 0.00 N ATOM 273 CA PRO A 18 -3.307 6.638 -8.255 1.00 0.00 C ATOM 274 C PRO A 18 -2.690 5.269 -7.950 1.00 0.00 C ATOM 275 O PRO A 18 -2.354 4.967 -6.822 1.00 0.00 O ATOM 276 CB PRO A 18 -2.256 7.583 -8.845 1.00 0.00 C ATOM 277 CG PRO A 18 -1.711 8.425 -7.672 1.00 0.00 C ATOM 278 CD PRO A 18 -2.760 8.348 -6.553 1.00 0.00 C ATOM 0 HA PRO A 18 -4.142 6.452 -8.930 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -1.454 7.020 -9.323 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -2.696 8.223 -9.610 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -0.751 8.038 -7.330 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -1.547 9.458 -7.979 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.305 8.078 -5.600 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.257 9.307 -6.408 1.00 0.00 H new ATOM 286 N ALA A 19 -2.530 4.440 -8.946 1.00 0.00 N ATOM 287 CA ALA A 19 -1.927 3.100 -8.707 1.00 0.00 C ATOM 288 C ALA A 19 -0.444 3.274 -8.374 1.00 0.00 C ATOM 289 O ALA A 19 0.034 2.813 -7.357 1.00 0.00 O ATOM 290 CB ALA A 19 -2.072 2.241 -9.965 1.00 0.00 C ATOM 0 H ALA A 19 -2.791 4.633 -9.913 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.436 2.609 -7.877 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.630 1.260 -9.789 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.129 2.125 -10.207 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.561 2.725 -10.797 1.00 0.00 H new ATOM 296 N LYS A 20 0.284 3.947 -9.222 1.00 0.00 N ATOM 297 CA LYS A 20 1.732 4.164 -8.953 1.00 0.00 C ATOM 298 C LYS A 20 1.892 5.407 -8.078 1.00 0.00 C ATOM 299 O LYS A 20 1.013 6.244 -8.010 1.00 0.00 O ATOM 300 CB LYS A 20 2.470 4.367 -10.278 1.00 0.00 C ATOM 301 CG LYS A 20 2.546 3.037 -11.029 1.00 0.00 C ATOM 302 CD LYS A 20 3.787 3.026 -11.922 1.00 0.00 C ATOM 303 CE LYS A 20 3.601 4.024 -13.067 1.00 0.00 C ATOM 304 NZ LYS A 20 2.951 3.340 -14.221 1.00 0.00 N ATOM 0 H LYS A 20 -0.062 4.356 -10.090 1.00 0.00 H new ATOM 0 HA LYS A 20 2.150 3.298 -8.440 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.952 5.110 -10.885 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.474 4.750 -10.093 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.587 2.209 -10.321 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.649 2.896 -11.633 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.670 3.286 -11.339 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.952 2.025 -12.321 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.989 4.863 -12.736 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.566 4.432 -13.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.824 4.018 -15.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.551 2.553 -14.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.024 2.971 -13.929 1.00 0.00 H new ATOM 318 N LEU A 21 2.999 5.539 -7.402 1.00 0.00 N ATOM 319 CA LEU A 21 3.192 6.733 -6.533 1.00 0.00 C ATOM 320 C LEU A 21 4.684 6.965 -6.289 1.00 0.00 C ATOM 321 O LEU A 21 5.405 6.070 -5.896 1.00 0.00 O ATOM 322 CB LEU A 21 2.487 6.503 -5.196 1.00 0.00 C ATOM 323 CG LEU A 21 1.314 7.473 -5.063 1.00 0.00 C ATOM 324 CD1 LEU A 21 0.032 6.688 -4.776 1.00 0.00 C ATOM 325 CD2 LEU A 21 1.587 8.441 -3.910 1.00 0.00 C ATOM 0 H LEU A 21 3.774 4.876 -7.413 1.00 0.00 H new ATOM 0 HA LEU A 21 2.771 7.609 -7.026 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.131 5.475 -5.133 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.188 6.649 -4.374 1.00 0.00 H new ATOM 0 HG LEU A 21 1.196 8.033 -5.991 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.805 7.380 -4.681 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.161 5.995 -5.595 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.148 6.129 -3.847 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.752 9.135 -3.812 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.703 7.879 -2.983 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.501 8.999 -4.112 1.00 0.00 H new ATOM 337 N THR A 22 5.149 8.163 -6.513 1.00 0.00 N ATOM 338 CA THR A 22 6.591 8.458 -6.288 1.00 0.00 C ATOM 339 C THR A 22 6.757 9.157 -4.938 1.00 0.00 C ATOM 340 O THR A 22 6.699 10.368 -4.844 1.00 0.00 O ATOM 341 CB THR A 22 7.105 9.372 -7.403 1.00 0.00 C ATOM 342 OG1 THR A 22 6.908 8.740 -8.659 1.00 0.00 O ATOM 343 CG2 THR A 22 8.595 9.646 -7.194 1.00 0.00 C ATOM 0 H THR A 22 4.591 8.951 -6.843 1.00 0.00 H new ATOM 0 HA THR A 22 7.160 7.528 -6.291 1.00 0.00 H new ATOM 0 HB THR A 22 6.559 10.315 -7.382 1.00 0.00 H new ATOM 0 HG1 THR A 22 7.235 9.325 -9.374 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.960 10.297 -7.988 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.744 10.132 -6.230 1.00 0.00 H new ATOM 0 HG23 THR A 22 9.144 8.705 -7.215 1.00 0.00 H new ATOM 351 N ILE A 23 6.955 8.406 -3.889 1.00 0.00 N ATOM 352 CA ILE A 23 7.116 9.026 -2.549 1.00 0.00 C ATOM 353 C ILE A 23 8.592 9.109 -2.188 1.00 0.00 C ATOM 354 O ILE A 23 9.432 8.482 -2.803 1.00 0.00 O ATOM 355 CB ILE A 23 6.401 8.179 -1.498 1.00 0.00 C ATOM 356 CG1 ILE A 23 6.846 6.718 -1.627 1.00 0.00 C ATOM 357 CG2 ILE A 23 4.896 8.276 -1.715 1.00 0.00 C ATOM 358 CD1 ILE A 23 7.450 6.241 -0.302 1.00 0.00 C ATOM 0 H ILE A 23 7.012 7.388 -3.905 1.00 0.00 H new ATOM 0 HA ILE A 23 6.687 10.027 -2.574 1.00 0.00 H new ATOM 0 HB ILE A 23 6.651 8.544 -0.502 1.00 0.00 H new ATOM 0 HG12 ILE A 23 5.996 6.092 -1.896 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.579 6.621 -2.428 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.381 7.673 -0.967 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.581 9.315 -1.622 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.648 7.909 -2.711 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.765 5.202 -0.399 1.00 0.00 H new ATOM 0 HD12 ILE A 23 8.312 6.859 -0.051 1.00 0.00 H new ATOM 0 HD13 ILE A 23 6.704 6.322 0.488 1.00 0.00 H new ATOM 370 N LYS A 24 8.914 9.870 -1.183 1.00 0.00 N ATOM 371 CA LYS A 24 10.333 9.983 -0.771 1.00 0.00 C ATOM 372 C LYS A 24 10.633 8.889 0.255 1.00 0.00 C ATOM 373 O LYS A 24 9.738 8.191 0.688 1.00 0.00 O ATOM 374 CB LYS A 24 10.578 11.361 -0.152 1.00 0.00 C ATOM 375 CG LYS A 24 11.396 12.218 -1.120 1.00 0.00 C ATOM 376 CD LYS A 24 10.752 13.600 -1.248 1.00 0.00 C ATOM 377 CE LYS A 24 10.205 13.782 -2.666 1.00 0.00 C ATOM 378 NZ LYS A 24 9.201 14.885 -2.675 1.00 0.00 N ATOM 0 H LYS A 24 8.254 10.418 -0.630 1.00 0.00 H new ATOM 0 HA LYS A 24 10.985 9.865 -1.636 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.627 11.847 0.066 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.108 11.257 0.795 1.00 0.00 H new ATOM 0 HG2 LYS A 24 12.420 12.314 -0.760 1.00 0.00 H new ATOM 0 HG3 LYS A 24 11.445 11.736 -2.096 1.00 0.00 H new ATOM 0 HD2 LYS A 24 9.947 13.706 -0.520 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.485 14.376 -1.028 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.019 14.011 -3.354 1.00 0.00 H new ATOM 0 HE3 LYS A 24 9.746 12.856 -3.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 8.830 15.008 -3.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 8.420 14.649 -2.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 9.653 15.768 -2.362 1.00 0.00 H new ATOM 392 N PRO A 25 11.882 8.765 0.612 1.00 0.00 N ATOM 393 CA PRO A 25 12.322 7.753 1.585 1.00 0.00 C ATOM 394 C PRO A 25 11.963 8.187 3.010 1.00 0.00 C ATOM 395 O PRO A 25 12.777 8.739 3.724 1.00 0.00 O ATOM 396 CB PRO A 25 13.840 7.699 1.386 1.00 0.00 C ATOM 397 CG PRO A 25 14.243 9.045 0.739 1.00 0.00 C ATOM 398 CD PRO A 25 12.969 9.616 0.085 1.00 0.00 C ATOM 0 HA PRO A 25 11.847 6.782 1.441 1.00 0.00 H new ATOM 0 HB2 PRO A 25 14.352 7.557 2.338 1.00 0.00 H new ATOM 0 HB3 PRO A 25 14.118 6.862 0.746 1.00 0.00 H new ATOM 0 HG2 PRO A 25 14.636 9.733 1.488 1.00 0.00 H new ATOM 0 HG3 PRO A 25 15.028 8.899 -0.003 1.00 0.00 H new ATOM 0 HD2 PRO A 25 12.820 10.663 0.350 1.00 0.00 H new ATOM 0 HD3 PRO A 25 13.023 9.567 -1.003 1.00 0.00 H new ATOM 406 N GLY A 26 10.749 7.939 3.429 1.00 0.00 N ATOM 407 CA GLY A 26 10.345 8.338 4.809 1.00 0.00 C ATOM 408 C GLY A 26 8.942 8.945 4.782 1.00 0.00 C ATOM 409 O GLY A 26 8.220 8.903 5.758 1.00 0.00 O ATOM 0 H GLY A 26 10.024 7.480 2.878 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.363 7.470 5.468 1.00 0.00 H new ATOM 0 HA3 GLY A 26 11.056 9.060 5.212 1.00 0.00 H new ATOM 413 N ASP A 27 8.549 9.511 3.673 1.00 0.00 N ATOM 414 CA ASP A 27 7.192 10.120 3.589 1.00 0.00 C ATOM 415 C ASP A 27 6.172 9.180 4.234 1.00 0.00 C ATOM 416 O ASP A 27 6.448 8.023 4.480 1.00 0.00 O ATOM 417 CB ASP A 27 6.822 10.343 2.121 1.00 0.00 C ATOM 418 CG ASP A 27 7.871 11.240 1.461 1.00 0.00 C ATOM 419 OD1 ASP A 27 8.958 11.347 2.005 1.00 0.00 O ATOM 420 OD2 ASP A 27 7.568 11.806 0.423 1.00 0.00 O ATOM 0 H ASP A 27 9.109 9.578 2.823 1.00 0.00 H new ATOM 0 HA ASP A 27 7.189 11.076 4.113 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.766 9.387 1.600 1.00 0.00 H new ATOM 0 HB3 ASP A 27 5.837 10.804 2.049 1.00 0.00 H new ATOM 425 N THR A 28 4.995 9.668 4.513 1.00 0.00 N ATOM 426 CA THR A 28 3.964 8.806 5.144 1.00 0.00 C ATOM 427 C THR A 28 2.834 8.539 4.146 1.00 0.00 C ATOM 428 O THR A 28 2.161 9.445 3.697 1.00 0.00 O ATOM 429 CB THR A 28 3.399 9.510 6.381 1.00 0.00 C ATOM 430 OG1 THR A 28 4.456 9.787 7.289 1.00 0.00 O ATOM 431 CG2 THR A 28 2.367 8.607 7.058 1.00 0.00 C ATOM 0 H THR A 28 4.705 10.629 4.330 1.00 0.00 H new ATOM 0 HA THR A 28 4.415 7.859 5.438 1.00 0.00 H new ATOM 0 HB THR A 28 2.921 10.443 6.082 1.00 0.00 H new ATOM 0 HG1 THR A 28 4.097 10.239 8.081 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.966 9.109 7.938 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.557 8.394 6.361 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.842 7.673 7.358 1.00 0.00 H new ATOM 439 N VAL A 29 2.619 7.300 3.797 1.00 0.00 N ATOM 440 CA VAL A 29 1.538 6.974 2.832 1.00 0.00 C ATOM 441 C VAL A 29 0.306 6.495 3.601 1.00 0.00 C ATOM 442 O VAL A 29 0.372 5.561 4.375 1.00 0.00 O ATOM 443 CB VAL A 29 2.017 5.869 1.890 1.00 0.00 C ATOM 444 CG1 VAL A 29 1.149 5.854 0.631 1.00 0.00 C ATOM 445 CG2 VAL A 29 3.475 6.128 1.502 1.00 0.00 C ATOM 0 H VAL A 29 3.149 6.499 4.141 1.00 0.00 H new ATOM 0 HA VAL A 29 1.283 7.860 2.250 1.00 0.00 H new ATOM 0 HB VAL A 29 1.939 4.905 2.393 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.493 5.066 -0.039 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.111 5.669 0.907 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.224 6.817 0.126 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.818 5.341 0.830 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.552 7.093 1.000 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.094 6.135 2.399 1.00 0.00 H new ATOM 455 N GLU A 30 -0.817 7.131 3.401 1.00 0.00 N ATOM 456 CA GLU A 30 -2.044 6.717 4.128 1.00 0.00 C ATOM 457 C GLU A 30 -2.927 5.862 3.218 1.00 0.00 C ATOM 458 O GLU A 30 -3.247 6.239 2.108 1.00 0.00 O ATOM 459 CB GLU A 30 -2.821 7.961 4.569 1.00 0.00 C ATOM 460 CG GLU A 30 -3.257 7.801 6.028 1.00 0.00 C ATOM 461 CD GLU A 30 -4.785 7.757 6.102 1.00 0.00 C ATOM 462 OE1 GLU A 30 -5.402 7.520 5.077 1.00 0.00 O ATOM 463 OE2 GLU A 30 -5.312 7.961 7.184 1.00 0.00 O ATOM 0 H GLU A 30 -0.934 7.919 2.765 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.760 6.133 5.003 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.199 8.849 4.460 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.693 8.103 3.931 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.836 6.887 6.447 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.877 8.630 6.625 1.00 0.00 H new ATOM 470 N PHE A 31 -3.331 4.714 3.689 1.00 0.00 N ATOM 471 CA PHE A 31 -4.205 3.828 2.866 1.00 0.00 C ATOM 472 C PHE A 31 -5.414 3.423 3.713 1.00 0.00 C ATOM 473 O PHE A 31 -5.308 3.268 4.911 1.00 0.00 O ATOM 474 CB PHE A 31 -3.434 2.568 2.434 1.00 0.00 C ATOM 475 CG PHE A 31 -1.951 2.735 2.699 1.00 0.00 C ATOM 476 CD1 PHE A 31 -1.457 2.633 4.006 1.00 0.00 C ATOM 477 CD2 PHE A 31 -1.072 2.989 1.638 1.00 0.00 C ATOM 478 CE1 PHE A 31 -0.088 2.785 4.251 1.00 0.00 C ATOM 479 CE2 PHE A 31 0.297 3.141 1.885 1.00 0.00 C ATOM 480 CZ PHE A 31 0.789 3.039 3.191 1.00 0.00 C ATOM 0 H PHE A 31 -3.093 4.350 4.611 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.527 4.360 1.971 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.811 1.701 2.976 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.601 2.378 1.374 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.133 2.437 4.825 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.451 3.067 0.630 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.292 2.706 5.259 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.974 3.337 1.067 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.846 3.156 3.381 1.00 0.00 H new ATOM 490 N LEU A 32 -6.565 3.259 3.112 1.00 0.00 N ATOM 491 CA LEU A 32 -7.766 2.873 3.908 1.00 0.00 C ATOM 492 C LEU A 32 -8.615 1.858 3.134 1.00 0.00 C ATOM 493 O LEU A 32 -8.182 1.298 2.148 1.00 0.00 O ATOM 494 CB LEU A 32 -8.609 4.117 4.246 1.00 0.00 C ATOM 495 CG LEU A 32 -8.682 5.083 3.057 1.00 0.00 C ATOM 496 CD1 LEU A 32 -7.326 5.758 2.846 1.00 0.00 C ATOM 497 CD2 LEU A 32 -9.084 4.320 1.795 1.00 0.00 C ATOM 0 H LEU A 32 -6.723 3.375 2.111 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.430 2.414 4.838 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.616 3.810 4.530 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.177 4.628 5.106 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.429 5.848 3.267 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.388 6.442 2.000 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.053 6.314 3.743 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.569 5.000 2.645 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.135 5.010 0.953 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.345 3.547 1.586 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.060 3.858 1.944 1.00 0.00 H new ATOM 509 N ASN A 33 -9.821 1.607 3.585 1.00 0.00 N ATOM 510 CA ASN A 33 -10.692 0.620 2.883 1.00 0.00 C ATOM 511 C ASN A 33 -11.913 1.339 2.295 1.00 0.00 C ATOM 512 O ASN A 33 -12.266 2.424 2.713 1.00 0.00 O ATOM 513 CB ASN A 33 -11.139 -0.468 3.880 1.00 0.00 C ATOM 514 CG ASN A 33 -12.464 -0.107 4.543 1.00 0.00 C ATOM 515 OD1 ASN A 33 -12.810 1.051 4.663 1.00 0.00 O ATOM 516 ND2 ASN A 33 -13.218 -1.065 4.989 1.00 0.00 N ATOM 0 H ASN A 33 -10.237 2.044 4.408 1.00 0.00 H new ATOM 0 HA ASN A 33 -10.137 0.150 2.071 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -11.239 -1.421 3.360 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -10.373 -0.600 4.644 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -14.105 -0.847 5.442 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -12.923 -2.036 4.886 1.00 0.00 H new ATOM 523 N ASN A 34 -12.563 0.739 1.336 1.00 0.00 N ATOM 524 CA ASN A 34 -13.765 1.384 0.730 1.00 0.00 C ATOM 525 C ASN A 34 -15.030 0.692 1.248 1.00 0.00 C ATOM 526 O ASN A 34 -15.036 0.119 2.319 1.00 0.00 O ATOM 527 CB ASN A 34 -13.698 1.252 -0.793 1.00 0.00 C ATOM 528 CG ASN A 34 -14.413 2.437 -1.444 1.00 0.00 C ATOM 529 OD1 ASN A 34 -14.108 3.578 -1.158 1.00 0.00 O ATOM 530 ND2 ASN A 34 -15.359 2.214 -2.317 1.00 0.00 N ATOM 0 H ASN A 34 -12.315 -0.170 0.945 1.00 0.00 H new ATOM 0 HA ASN A 34 -13.790 2.439 1.003 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -12.659 1.218 -1.120 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -14.162 0.317 -1.108 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -15.841 2.997 -2.758 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -15.616 1.257 -2.558 1.00 0.00 H new ATOM 537 N LYS A 35 -16.102 0.736 0.498 1.00 0.00 N ATOM 538 CA LYS A 35 -17.356 0.073 0.960 1.00 0.00 C ATOM 539 C LYS A 35 -17.408 -1.348 0.405 1.00 0.00 C ATOM 540 O LYS A 35 -18.462 -1.915 0.199 1.00 0.00 O ATOM 541 CB LYS A 35 -18.579 0.867 0.485 1.00 0.00 C ATOM 542 CG LYS A 35 -18.762 0.700 -1.026 1.00 0.00 C ATOM 543 CD LYS A 35 -20.179 1.128 -1.416 1.00 0.00 C ATOM 544 CE LYS A 35 -21.080 -0.104 -1.512 1.00 0.00 C ATOM 545 NZ LYS A 35 -22.405 0.293 -2.069 1.00 0.00 N ATOM 0 H LYS A 35 -16.162 1.200 -0.409 1.00 0.00 H new ATOM 0 HA LYS A 35 -17.366 0.038 2.049 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -19.471 0.522 1.007 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -18.455 1.922 0.729 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -18.028 1.302 -1.561 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -18.592 -0.338 -1.312 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -20.576 1.824 -0.677 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -20.161 1.653 -2.371 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -20.617 -0.858 -2.148 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -21.207 -0.553 -0.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -23.019 -0.544 -2.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -22.847 0.998 -1.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -22.275 0.702 -3.016 1.00 0.00 H new ATOM 559 N VAL A 36 -16.267 -1.925 0.176 1.00 0.00 N ATOM 560 CA VAL A 36 -16.216 -3.316 -0.352 1.00 0.00 C ATOM 561 C VAL A 36 -15.050 -4.046 0.321 1.00 0.00 C ATOM 562 O VAL A 36 -14.113 -4.457 -0.334 1.00 0.00 O ATOM 563 CB VAL A 36 -16.006 -3.282 -1.867 1.00 0.00 C ATOM 564 CG1 VAL A 36 -16.400 -4.632 -2.467 1.00 0.00 C ATOM 565 CG2 VAL A 36 -16.880 -2.182 -2.476 1.00 0.00 C ATOM 0 H VAL A 36 -15.358 -1.491 0.333 1.00 0.00 H new ATOM 0 HA VAL A 36 -17.151 -3.835 -0.140 1.00 0.00 H new ATOM 0 HB VAL A 36 -14.957 -3.079 -2.084 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -16.250 -4.608 -3.546 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -15.782 -5.418 -2.032 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -17.449 -4.834 -2.250 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -16.732 -2.156 -3.556 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -17.928 -2.388 -2.258 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.603 -1.218 -2.048 1.00 0.00 H new ATOM 575 N PRO A 37 -15.144 -4.164 1.623 1.00 0.00 N ATOM 576 CA PRO A 37 -14.110 -4.819 2.449 1.00 0.00 C ATOM 577 C PRO A 37 -14.219 -6.344 2.349 1.00 0.00 C ATOM 578 O PRO A 37 -15.124 -6.858 1.722 1.00 0.00 O ATOM 579 CB PRO A 37 -14.447 -4.346 3.869 1.00 0.00 C ATOM 580 CG PRO A 37 -15.937 -3.939 3.859 1.00 0.00 C ATOM 581 CD PRO A 37 -16.302 -3.657 2.394 1.00 0.00 C ATOM 0 HA PRO A 37 -13.095 -4.570 2.141 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -14.267 -5.140 4.594 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -13.818 -3.504 4.156 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -16.559 -4.735 4.268 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -16.102 -3.056 4.477 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -17.223 -4.166 2.109 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -16.459 -2.592 2.221 1.00 0.00 H new ATOM 589 N PRO A 38 -13.308 -7.025 3.005 1.00 0.00 N ATOM 590 CA PRO A 38 -12.207 -6.404 3.767 1.00 0.00 C ATOM 591 C PRO A 38 -10.995 -6.152 2.868 1.00 0.00 C ATOM 592 O PRO A 38 -10.832 -6.777 1.842 1.00 0.00 O ATOM 593 CB PRO A 38 -11.857 -7.470 4.804 1.00 0.00 C ATOM 594 CG PRO A 38 -12.331 -8.823 4.215 1.00 0.00 C ATOM 595 CD PRO A 38 -13.324 -8.496 3.083 1.00 0.00 C ATOM 0 HA PRO A 38 -12.485 -5.441 4.196 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -10.785 -7.485 4.999 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -12.351 -7.265 5.754 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -11.485 -9.395 3.833 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -12.808 -9.432 4.983 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -13.017 -8.949 2.140 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -14.322 -8.873 3.307 1.00 0.00 H new ATOM 603 N HIS A 39 -10.132 -5.254 3.265 1.00 0.00 N ATOM 604 CA HIS A 39 -8.917 -4.967 2.448 1.00 0.00 C ATOM 605 C HIS A 39 -7.665 -5.288 3.265 1.00 0.00 C ATOM 606 O HIS A 39 -7.687 -5.297 4.480 1.00 0.00 O ATOM 607 CB HIS A 39 -8.897 -3.488 2.055 1.00 0.00 C ATOM 608 CG HIS A 39 -10.030 -3.211 1.110 1.00 0.00 C ATOM 609 ND1 HIS A 39 -9.842 -3.124 -0.267 1.00 0.00 N ATOM 610 CD2 HIS A 39 -11.371 -3.026 1.326 1.00 0.00 C ATOM 611 CE1 HIS A 39 -11.053 -2.896 -0.814 1.00 0.00 C ATOM 612 NE2 HIS A 39 -12.007 -2.836 0.111 1.00 0.00 N ATOM 0 H HIS A 39 -10.217 -4.706 4.121 1.00 0.00 H new ATOM 0 HA HIS A 39 -8.936 -5.582 1.548 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -8.988 -2.863 2.943 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -7.946 -3.238 1.584 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -11.855 -3.028 2.291 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -11.227 -2.777 -1.873 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -13.003 -2.682 -0.043 1.00 0.00 H new ATOM 620 N ASN A 40 -6.571 -5.546 2.606 1.00 0.00 N ATOM 621 CA ASN A 40 -5.313 -5.860 3.337 1.00 0.00 C ATOM 622 C ASN A 40 -4.142 -5.182 2.627 1.00 0.00 C ATOM 623 O ASN A 40 -3.810 -5.508 1.504 1.00 0.00 O ATOM 624 CB ASN A 40 -5.092 -7.374 3.356 1.00 0.00 C ATOM 625 CG ASN A 40 -4.415 -7.774 4.668 1.00 0.00 C ATOM 626 OD1 ASN A 40 -4.653 -7.173 5.697 1.00 0.00 O ATOM 627 ND2 ASN A 40 -3.575 -8.773 4.676 1.00 0.00 N ATOM 0 H ASN A 40 -6.494 -5.553 1.589 1.00 0.00 H new ATOM 0 HA ASN A 40 -5.384 -5.496 4.362 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -6.045 -7.893 3.253 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -4.474 -7.673 2.509 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -3.119 -9.049 5.546 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -3.375 -9.278 3.813 1.00 0.00 H new ATOM 634 N VAL A 41 -3.516 -4.238 3.270 1.00 0.00 N ATOM 635 CA VAL A 41 -2.370 -3.532 2.634 1.00 0.00 C ATOM 636 C VAL A 41 -1.061 -4.122 3.164 1.00 0.00 C ATOM 637 O VAL A 41 -0.812 -4.134 4.353 1.00 0.00 O ATOM 638 CB VAL A 41 -2.453 -2.038 2.978 1.00 0.00 C ATOM 639 CG1 VAL A 41 -1.072 -1.385 2.859 1.00 0.00 C ATOM 640 CG2 VAL A 41 -3.421 -1.350 2.013 1.00 0.00 C ATOM 0 H VAL A 41 -3.749 -3.924 4.212 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.404 -3.655 1.551 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.808 -1.931 4.003 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.148 -0.326 3.106 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.380 -1.870 3.548 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.705 -1.494 1.839 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.483 -0.289 2.254 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.062 -1.469 0.991 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.409 -1.801 2.106 1.00 0.00 H new ATOM 650 N VAL A 42 -0.218 -4.609 2.293 1.00 0.00 N ATOM 651 CA VAL A 42 1.069 -5.187 2.765 1.00 0.00 C ATOM 652 C VAL A 42 2.093 -5.187 1.635 1.00 0.00 C ATOM 653 O VAL A 42 1.777 -5.438 0.489 1.00 0.00 O ATOM 654 CB VAL A 42 0.849 -6.622 3.251 1.00 0.00 C ATOM 655 CG1 VAL A 42 0.475 -6.610 4.734 1.00 0.00 C ATOM 656 CG2 VAL A 42 -0.282 -7.269 2.447 1.00 0.00 C ATOM 0 H VAL A 42 -0.365 -4.631 1.284 1.00 0.00 H new ATOM 0 HA VAL A 42 1.444 -4.578 3.588 1.00 0.00 H new ATOM 0 HB VAL A 42 1.767 -7.193 3.112 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.319 -7.632 5.078 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.280 -6.153 5.309 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.441 -6.036 4.874 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.437 -8.290 2.794 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.199 -6.696 2.583 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.016 -7.282 1.390 1.00 0.00 H new ATOM 666 N PHE A 43 3.321 -4.902 1.960 1.00 0.00 N ATOM 667 CA PHE A 43 4.390 -4.874 0.923 1.00 0.00 C ATOM 668 C PHE A 43 4.956 -6.282 0.724 1.00 0.00 C ATOM 669 O PHE A 43 5.455 -6.898 1.645 1.00 0.00 O ATOM 670 CB PHE A 43 5.501 -3.932 1.385 1.00 0.00 C ATOM 671 CG PHE A 43 4.881 -2.755 2.081 1.00 0.00 C ATOM 672 CD1 PHE A 43 4.325 -1.707 1.340 1.00 0.00 C ATOM 673 CD2 PHE A 43 4.850 -2.722 3.476 1.00 0.00 C ATOM 674 CE1 PHE A 43 3.740 -0.623 2.003 1.00 0.00 C ATOM 675 CE2 PHE A 43 4.268 -1.640 4.131 1.00 0.00 C ATOM 676 CZ PHE A 43 3.715 -0.596 3.402 1.00 0.00 C ATOM 0 H PHE A 43 3.634 -4.685 2.906 1.00 0.00 H new ATOM 0 HA PHE A 43 3.977 -4.523 -0.023 1.00 0.00 H new ATOM 0 HB2 PHE A 43 6.181 -4.453 2.059 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.091 -3.598 0.532 1.00 0.00 H new ATOM 0 HD1 PHE A 43 4.347 -1.735 0.261 1.00 0.00 H new ATOM 0 HD2 PHE A 43 5.277 -3.534 4.046 1.00 0.00 H new ATOM 0 HE1 PHE A 43 3.309 0.190 1.437 1.00 0.00 H new ATOM 0 HE2 PHE A 43 4.247 -1.613 5.210 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.264 0.240 3.916 1.00 0.00 H new ATOM 686 N ASP A 44 4.883 -6.792 -0.475 1.00 0.00 N ATOM 687 CA ASP A 44 5.417 -8.156 -0.741 1.00 0.00 C ATOM 688 C ASP A 44 6.797 -8.297 -0.095 1.00 0.00 C ATOM 689 O ASP A 44 7.383 -7.332 0.353 1.00 0.00 O ATOM 690 CB ASP A 44 5.533 -8.368 -2.252 1.00 0.00 C ATOM 691 CG ASP A 44 5.755 -9.852 -2.547 1.00 0.00 C ATOM 692 OD1 ASP A 44 5.047 -10.662 -1.973 1.00 0.00 O ATOM 693 OD2 ASP A 44 6.629 -10.152 -3.343 1.00 0.00 O ATOM 0 H ASP A 44 4.476 -6.321 -1.283 1.00 0.00 H new ATOM 0 HA ASP A 44 4.743 -8.902 -0.320 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.627 -8.020 -2.749 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.361 -7.780 -2.649 1.00 0.00 H new ATOM 698 N ALA A 45 7.319 -9.492 -0.038 1.00 0.00 N ATOM 699 CA ALA A 45 8.654 -9.691 0.583 1.00 0.00 C ATOM 700 C ALA A 45 9.690 -10.016 -0.498 1.00 0.00 C ATOM 701 O ALA A 45 10.881 -9.937 -0.271 1.00 0.00 O ATOM 702 CB ALA A 45 8.584 -10.846 1.584 1.00 0.00 C ATOM 0 H ALA A 45 6.876 -10.338 -0.396 1.00 0.00 H new ATOM 0 HA ALA A 45 8.948 -8.777 1.098 1.00 0.00 H new ATOM 0 HB1 ALA A 45 9.563 -10.992 2.040 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.854 -10.612 2.359 1.00 0.00 H new ATOM 0 HB3 ALA A 45 8.285 -11.758 1.067 1.00 0.00 H new ATOM 708 N ALA A 46 9.249 -10.384 -1.671 1.00 0.00 N ATOM 709 CA ALA A 46 10.217 -10.715 -2.756 1.00 0.00 C ATOM 710 C ALA A 46 10.068 -9.713 -3.903 1.00 0.00 C ATOM 711 O ALA A 46 10.910 -9.624 -4.775 1.00 0.00 O ATOM 712 CB ALA A 46 9.938 -12.128 -3.274 1.00 0.00 C ATOM 0 H ALA A 46 8.265 -10.469 -1.924 1.00 0.00 H new ATOM 0 HA ALA A 46 11.232 -10.664 -2.362 1.00 0.00 H new ATOM 0 HB1 ALA A 46 10.645 -12.371 -4.067 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.048 -12.843 -2.458 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.922 -12.178 -3.666 1.00 0.00 H new ATOM 718 N LEU A 47 9.006 -8.956 -3.910 1.00 0.00 N ATOM 719 CA LEU A 47 8.807 -7.962 -5.002 1.00 0.00 C ATOM 720 C LEU A 47 9.351 -6.602 -4.558 1.00 0.00 C ATOM 721 O LEU A 47 8.693 -5.589 -4.680 1.00 0.00 O ATOM 722 CB LEU A 47 7.314 -7.839 -5.312 1.00 0.00 C ATOM 723 CG LEU A 47 6.981 -8.666 -6.555 1.00 0.00 C ATOM 724 CD1 LEU A 47 7.693 -8.070 -7.769 1.00 0.00 C ATOM 725 CD2 LEU A 47 7.449 -10.109 -6.348 1.00 0.00 C ATOM 0 H LEU A 47 8.267 -8.983 -3.207 1.00 0.00 H new ATOM 0 HA LEU A 47 9.337 -8.291 -5.896 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.726 -8.186 -4.463 1.00 0.00 H new ATOM 0 HB3 LEU A 47 7.051 -6.794 -5.476 1.00 0.00 H new ATOM 0 HG LEU A 47 5.904 -8.653 -6.722 1.00 0.00 H new ATOM 0 HD11 LEU A 47 7.456 -8.659 -8.655 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.361 -7.042 -7.917 1.00 0.00 H new ATOM 0 HD13 LEU A 47 8.770 -8.083 -7.602 1.00 0.00 H new ATOM 0 HD21 LEU A 47 7.212 -10.699 -7.233 1.00 0.00 H new ATOM 0 HD22 LEU A 47 8.526 -10.122 -6.181 1.00 0.00 H new ATOM 0 HD23 LEU A 47 6.943 -10.535 -5.482 1.00 0.00 H new ATOM 737 N ASN A 48 10.549 -6.573 -4.042 1.00 0.00 N ATOM 738 CA ASN A 48 11.135 -5.281 -3.588 1.00 0.00 C ATOM 739 C ASN A 48 12.534 -5.115 -4.189 1.00 0.00 C ATOM 740 O ASN A 48 13.120 -6.069 -4.660 1.00 0.00 O ATOM 741 CB ASN A 48 11.232 -5.281 -2.060 1.00 0.00 C ATOM 742 CG ASN A 48 11.678 -6.661 -1.576 1.00 0.00 C ATOM 743 OD1 ASN A 48 12.049 -7.506 -2.367 1.00 0.00 O ATOM 744 ND2 ASN A 48 11.660 -6.928 -0.298 1.00 0.00 N ATOM 0 H ASN A 48 11.148 -7.389 -3.915 1.00 0.00 H new ATOM 0 HA ASN A 48 10.501 -4.457 -3.915 1.00 0.00 H new ATOM 0 HB2 ASN A 48 11.941 -4.522 -1.730 1.00 0.00 H new ATOM 0 HB3 ASN A 48 10.266 -5.026 -1.624 1.00 0.00 H new ATOM 0 HD21 ASN A 48 11.957 -7.845 0.036 1.00 0.00 H new ATOM 0 HD22 ASN A 48 11.349 -6.220 0.367 1.00 0.00 H new ATOM 751 N PRO A 49 13.031 -3.903 -4.150 1.00 0.00 N ATOM 752 CA PRO A 49 14.365 -3.578 -4.681 1.00 0.00 C ATOM 753 C PRO A 49 15.446 -4.060 -3.709 1.00 0.00 C ATOM 754 O PRO A 49 16.616 -4.099 -4.031 1.00 0.00 O ATOM 755 CB PRO A 49 14.350 -2.050 -4.786 1.00 0.00 C ATOM 756 CG PRO A 49 13.258 -1.557 -3.808 1.00 0.00 C ATOM 757 CD PRO A 49 12.312 -2.749 -3.570 1.00 0.00 C ATOM 0 HA PRO A 49 14.582 -4.055 -5.637 1.00 0.00 H new ATOM 0 HB2 PRO A 49 15.323 -1.633 -4.525 1.00 0.00 H new ATOM 0 HB3 PRO A 49 14.131 -1.733 -5.805 1.00 0.00 H new ATOM 0 HG2 PRO A 49 13.701 -1.220 -2.871 1.00 0.00 H new ATOM 0 HG3 PRO A 49 12.716 -0.709 -4.227 1.00 0.00 H new ATOM 0 HD2 PRO A 49 12.115 -2.895 -2.508 1.00 0.00 H new ATOM 0 HD3 PRO A 49 11.348 -2.596 -4.055 1.00 0.00 H new ATOM 765 N ALA A 50 15.052 -4.438 -2.525 1.00 0.00 N ATOM 766 CA ALA A 50 16.037 -4.931 -1.525 1.00 0.00 C ATOM 767 C ALA A 50 15.433 -6.128 -0.791 1.00 0.00 C ATOM 768 O ALA A 50 14.970 -6.010 0.325 1.00 0.00 O ATOM 769 CB ALA A 50 16.350 -3.820 -0.520 1.00 0.00 C ATOM 0 H ALA A 50 14.083 -4.426 -2.206 1.00 0.00 H new ATOM 0 HA ALA A 50 16.958 -5.227 -2.027 1.00 0.00 H new ATOM 0 HB1 ALA A 50 17.072 -4.184 0.211 1.00 0.00 H new ATOM 0 HB2 ALA A 50 16.767 -2.961 -1.045 1.00 0.00 H new ATOM 0 HB3 ALA A 50 15.434 -3.523 -0.009 1.00 0.00 H new ATOM 775 N LYS A 51 15.423 -7.275 -1.419 1.00 0.00 N ATOM 776 CA LYS A 51 14.838 -8.485 -0.771 1.00 0.00 C ATOM 777 C LYS A 51 15.223 -8.523 0.708 1.00 0.00 C ATOM 778 O LYS A 51 16.268 -9.022 1.075 1.00 0.00 O ATOM 779 CB LYS A 51 15.365 -9.743 -1.465 1.00 0.00 C ATOM 780 CG LYS A 51 14.895 -10.981 -0.698 1.00 0.00 C ATOM 781 CD LYS A 51 15.673 -12.207 -1.179 1.00 0.00 C ATOM 782 CE LYS A 51 14.765 -13.078 -2.048 1.00 0.00 C ATOM 783 NZ LYS A 51 15.026 -12.787 -3.485 1.00 0.00 N ATOM 0 H LYS A 51 15.796 -7.426 -2.356 1.00 0.00 H new ATOM 0 HA LYS A 51 13.752 -8.446 -0.859 1.00 0.00 H new ATOM 0 HB2 LYS A 51 15.007 -9.781 -2.494 1.00 0.00 H new ATOM 0 HB3 LYS A 51 16.454 -9.719 -1.507 1.00 0.00 H new ATOM 0 HG2 LYS A 51 15.047 -10.838 0.372 1.00 0.00 H new ATOM 0 HG3 LYS A 51 13.826 -11.132 -0.851 1.00 0.00 H new ATOM 0 HD2 LYS A 51 16.549 -11.895 -1.748 1.00 0.00 H new ATOM 0 HD3 LYS A 51 16.035 -12.779 -0.325 1.00 0.00 H new ATOM 0 HE2 LYS A 51 14.947 -14.132 -1.840 1.00 0.00 H new ATOM 0 HE3 LYS A 51 13.719 -12.882 -1.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 14.409 -13.379 -4.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 14.831 -11.784 -3.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 16.021 -12.995 -3.706 1.00 0.00 H new ATOM 797 N SER A 52 14.385 -8.001 1.560 1.00 0.00 N ATOM 798 CA SER A 52 14.702 -8.009 3.014 1.00 0.00 C ATOM 799 C SER A 52 13.431 -8.310 3.809 1.00 0.00 C ATOM 800 O SER A 52 12.331 -8.050 3.363 1.00 0.00 O ATOM 801 CB SER A 52 15.249 -6.641 3.425 1.00 0.00 C ATOM 802 OG SER A 52 16.117 -6.158 2.407 1.00 0.00 O ATOM 0 H SER A 52 13.495 -7.569 1.312 1.00 0.00 H new ATOM 0 HA SER A 52 15.450 -8.775 3.219 1.00 0.00 H new ATOM 0 HB2 SER A 52 14.429 -5.941 3.582 1.00 0.00 H new ATOM 0 HB3 SER A 52 15.786 -6.720 4.370 1.00 0.00 H new ATOM 0 HG SER A 52 15.588 -5.733 1.700 1.00 0.00 H new ATOM 808 N ALA A 53 13.573 -8.854 4.985 1.00 0.00 N ATOM 809 CA ALA A 53 12.374 -9.169 5.809 1.00 0.00 C ATOM 810 C ALA A 53 12.440 -8.380 7.118 1.00 0.00 C ATOM 811 O ALA A 53 12.681 -8.930 8.174 1.00 0.00 O ATOM 812 CB ALA A 53 12.346 -10.667 6.118 1.00 0.00 C ATOM 0 H ALA A 53 14.468 -9.094 5.411 1.00 0.00 H new ATOM 0 HA ALA A 53 11.472 -8.895 5.261 1.00 0.00 H new ATOM 0 HB1 ALA A 53 11.468 -10.898 6.721 1.00 0.00 H new ATOM 0 HB2 ALA A 53 12.304 -11.230 5.186 1.00 0.00 H new ATOM 0 HB3 ALA A 53 13.246 -10.942 6.667 1.00 0.00 H new ATOM 818 N ASP A 54 12.232 -7.092 7.059 1.00 0.00 N ATOM 819 CA ASP A 54 12.288 -6.275 8.300 1.00 0.00 C ATOM 820 C ASP A 54 11.719 -4.881 8.026 1.00 0.00 C ATOM 821 O ASP A 54 11.038 -4.306 8.853 1.00 0.00 O ATOM 822 CB ASP A 54 13.742 -6.152 8.763 1.00 0.00 C ATOM 823 CG ASP A 54 13.792 -6.091 10.291 1.00 0.00 C ATOM 824 OD1 ASP A 54 13.691 -7.138 10.910 1.00 0.00 O ATOM 825 OD2 ASP A 54 13.930 -4.999 10.816 1.00 0.00 O ATOM 0 H ASP A 54 12.026 -6.573 6.205 1.00 0.00 H new ATOM 0 HA ASP A 54 11.697 -6.758 9.078 1.00 0.00 H new ATOM 0 HB2 ASP A 54 14.321 -7.003 8.404 1.00 0.00 H new ATOM 0 HB3 ASP A 54 14.195 -5.256 8.338 1.00 0.00 H new ATOM 830 N LEU A 55 11.991 -4.329 6.874 1.00 0.00 N ATOM 831 CA LEU A 55 11.462 -2.972 6.560 1.00 0.00 C ATOM 832 C LEU A 55 9.986 -3.077 6.165 1.00 0.00 C ATOM 833 O LEU A 55 9.306 -2.084 6.002 1.00 0.00 O ATOM 834 CB LEU A 55 12.279 -2.354 5.413 1.00 0.00 C ATOM 835 CG LEU A 55 11.710 -2.781 4.055 1.00 0.00 C ATOM 836 CD1 LEU A 55 10.585 -1.826 3.651 1.00 0.00 C ATOM 837 CD2 LEU A 55 12.818 -2.733 3.001 1.00 0.00 C ATOM 0 H LEU A 55 12.555 -4.758 6.140 1.00 0.00 H new ATOM 0 HA LEU A 55 11.548 -2.332 7.438 1.00 0.00 H new ATOM 0 HB2 LEU A 55 12.265 -1.267 5.494 1.00 0.00 H new ATOM 0 HB3 LEU A 55 13.320 -2.666 5.492 1.00 0.00 H new ATOM 0 HG LEU A 55 11.319 -3.796 4.128 1.00 0.00 H new ATOM 0 HD11 LEU A 55 10.180 -2.129 2.685 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.795 -1.856 4.402 1.00 0.00 H new ATOM 0 HD13 LEU A 55 10.977 -0.812 3.578 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.415 -3.036 2.035 1.00 0.00 H new ATOM 0 HD22 LEU A 55 13.208 -1.718 2.929 1.00 0.00 H new ATOM 0 HD23 LEU A 55 13.622 -3.411 3.287 1.00 0.00 H new ATOM 849 N ALA A 56 9.488 -4.273 6.004 1.00 0.00 N ATOM 850 CA ALA A 56 8.060 -4.438 5.615 1.00 0.00 C ATOM 851 C ALA A 56 7.282 -5.071 6.771 1.00 0.00 C ATOM 852 O ALA A 56 6.186 -4.656 7.094 1.00 0.00 O ATOM 853 CB ALA A 56 7.969 -5.343 4.385 1.00 0.00 C ATOM 0 H ALA A 56 10.009 -5.142 6.125 1.00 0.00 H new ATOM 0 HA ALA A 56 7.633 -3.462 5.383 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.924 -5.465 4.099 1.00 0.00 H new ATOM 0 HB2 ALA A 56 8.521 -4.892 3.560 1.00 0.00 H new ATOM 0 HB3 ALA A 56 8.397 -6.318 4.618 1.00 0.00 H new ATOM 859 N LYS A 57 7.837 -6.075 7.394 1.00 0.00 N ATOM 860 CA LYS A 57 7.125 -6.734 8.526 1.00 0.00 C ATOM 861 C LYS A 57 6.507 -5.668 9.433 1.00 0.00 C ATOM 862 O LYS A 57 5.350 -5.743 9.795 1.00 0.00 O ATOM 863 CB LYS A 57 8.113 -7.577 9.335 1.00 0.00 C ATOM 864 CG LYS A 57 7.341 -8.469 10.309 1.00 0.00 C ATOM 865 CD LYS A 57 8.323 -9.189 11.235 1.00 0.00 C ATOM 866 CE LYS A 57 7.571 -9.744 12.447 1.00 0.00 C ATOM 867 NZ LYS A 57 6.735 -10.904 12.028 1.00 0.00 N ATOM 0 H LYS A 57 8.751 -6.467 7.168 1.00 0.00 H new ATOM 0 HA LYS A 57 6.339 -7.377 8.130 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.719 -8.189 8.666 1.00 0.00 H new ATOM 0 HB3 LYS A 57 8.798 -6.929 9.882 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.646 -7.868 10.896 1.00 0.00 H new ATOM 0 HG3 LYS A 57 6.746 -9.197 9.758 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.817 -9.999 10.699 1.00 0.00 H new ATOM 0 HD3 LYS A 57 9.102 -8.501 11.562 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.278 -10.052 13.217 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.942 -8.968 12.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.238 -11.291 12.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.039 -10.593 11.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.344 -11.639 11.615 1.00 0.00 H new ATOM 881 N SER A 58 7.270 -4.679 9.806 1.00 0.00 N ATOM 882 CA SER A 58 6.726 -3.613 10.693 1.00 0.00 C ATOM 883 C SER A 58 6.312 -2.403 9.851 1.00 0.00 C ATOM 884 O SER A 58 6.277 -1.287 10.330 1.00 0.00 O ATOM 885 CB SER A 58 7.797 -3.190 11.698 1.00 0.00 C ATOM 886 OG SER A 58 7.638 -3.939 12.896 1.00 0.00 O ATOM 0 H SER A 58 8.246 -4.563 9.535 1.00 0.00 H new ATOM 0 HA SER A 58 5.856 -3.997 11.226 1.00 0.00 H new ATOM 0 HB2 SER A 58 8.790 -3.356 11.280 1.00 0.00 H new ATOM 0 HB3 SER A 58 7.714 -2.124 11.908 1.00 0.00 H new ATOM 0 HG SER A 58 8.324 -3.672 13.542 1.00 0.00 H new ATOM 892 N LEU A 59 5.994 -2.612 8.603 1.00 0.00 N ATOM 893 CA LEU A 59 5.580 -1.468 7.744 1.00 0.00 C ATOM 894 C LEU A 59 4.065 -1.494 7.550 1.00 0.00 C ATOM 895 O LEU A 59 3.365 -0.576 7.928 1.00 0.00 O ATOM 896 CB LEU A 59 6.263 -1.568 6.377 1.00 0.00 C ATOM 897 CG LEU A 59 6.169 -0.222 5.658 1.00 0.00 C ATOM 898 CD1 LEU A 59 6.810 0.861 6.526 1.00 0.00 C ATOM 899 CD2 LEU A 59 6.910 -0.307 4.321 1.00 0.00 C ATOM 0 H LEU A 59 6.003 -3.522 8.143 1.00 0.00 H new ATOM 0 HA LEU A 59 5.873 -0.537 8.229 1.00 0.00 H new ATOM 0 HB2 LEU A 59 7.308 -1.853 6.501 1.00 0.00 H new ATOM 0 HB3 LEU A 59 5.789 -2.346 5.778 1.00 0.00 H new ATOM 0 HG LEU A 59 5.122 0.025 5.479 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.745 1.822 6.016 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.286 0.920 7.480 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.857 0.614 6.702 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.844 0.652 3.807 1.00 0.00 H new ATOM 0 HD22 LEU A 59 7.957 -0.551 4.500 1.00 0.00 H new ATOM 0 HD23 LEU A 59 6.457 -1.082 3.703 1.00 0.00 H new ATOM 911 N SER A 60 3.553 -2.529 6.940 1.00 0.00 N ATOM 912 CA SER A 60 2.088 -2.592 6.701 1.00 0.00 C ATOM 913 C SER A 60 1.369 -3.174 7.916 1.00 0.00 C ATOM 914 O SER A 60 1.932 -3.312 8.984 1.00 0.00 O ATOM 915 CB SER A 60 1.811 -3.474 5.493 1.00 0.00 C ATOM 916 OG SER A 60 1.234 -2.686 4.459 1.00 0.00 O ATOM 0 H SER A 60 4.086 -3.329 6.599 1.00 0.00 H new ATOM 0 HA SER A 60 1.721 -1.581 6.522 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.736 -3.933 5.143 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.137 -4.285 5.767 1.00 0.00 H new ATOM 0 HG SER A 60 1.919 -2.101 4.073 1.00 0.00 H new ATOM 922 N HIS A 61 0.122 -3.515 7.750 1.00 0.00 N ATOM 923 CA HIS A 61 -0.660 -4.089 8.876 1.00 0.00 C ATOM 924 C HIS A 61 -1.158 -5.483 8.483 1.00 0.00 C ATOM 925 O HIS A 61 -1.527 -5.721 7.350 1.00 0.00 O ATOM 926 CB HIS A 61 -1.853 -3.176 9.171 1.00 0.00 C ATOM 927 CG HIS A 61 -2.862 -3.286 8.059 1.00 0.00 C ATOM 928 ND1 HIS A 61 -3.703 -4.385 7.930 1.00 0.00 N ATOM 929 CD2 HIS A 61 -3.179 -2.442 7.023 1.00 0.00 C ATOM 930 CE1 HIS A 61 -4.477 -4.169 6.848 1.00 0.00 C ATOM 931 NE2 HIS A 61 -4.197 -3.003 6.265 1.00 0.00 N ATOM 0 H HIS A 61 -0.392 -3.419 6.874 1.00 0.00 H new ATOM 0 HA HIS A 61 -0.034 -4.167 9.765 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -2.311 -3.455 10.120 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -1.518 -2.144 9.270 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -3.729 -5.202 8.540 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -2.709 -1.489 6.828 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -5.232 -4.856 6.496 1.00 0.00 H new ATOM 939 N LYS A 62 -1.166 -6.408 9.405 1.00 0.00 N ATOM 940 CA LYS A 62 -1.635 -7.784 9.073 1.00 0.00 C ATOM 941 C LYS A 62 -3.155 -7.860 9.231 1.00 0.00 C ATOM 942 O LYS A 62 -3.845 -8.441 8.417 1.00 0.00 O ATOM 943 CB LYS A 62 -0.973 -8.791 10.018 1.00 0.00 C ATOM 944 CG LYS A 62 0.431 -9.126 9.508 1.00 0.00 C ATOM 945 CD LYS A 62 1.434 -8.118 10.073 1.00 0.00 C ATOM 946 CE LYS A 62 2.816 -8.379 9.472 1.00 0.00 C ATOM 947 NZ LYS A 62 3.020 -7.493 8.292 1.00 0.00 N ATOM 0 H LYS A 62 -0.869 -6.271 10.371 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.366 -8.019 8.043 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.916 -8.377 11.025 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.575 -9.698 10.079 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.707 -10.137 9.808 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.449 -9.101 8.418 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.112 -7.102 9.844 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.477 -8.202 11.159 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.589 -8.194 10.217 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.904 -9.424 9.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.960 -7.670 7.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.289 -7.691 7.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.954 -6.499 8.589 1.00 0.00 H new ATOM 961 N GLN A 63 -3.682 -7.277 10.272 1.00 0.00 N ATOM 962 CA GLN A 63 -5.156 -7.315 10.482 1.00 0.00 C ATOM 963 C GLN A 63 -5.867 -6.966 9.174 1.00 0.00 C ATOM 964 O GLN A 63 -5.274 -6.433 8.258 1.00 0.00 O ATOM 965 CB GLN A 63 -5.541 -6.299 11.559 1.00 0.00 C ATOM 966 CG GLN A 63 -4.790 -4.988 11.316 1.00 0.00 C ATOM 967 CD GLN A 63 -5.789 -3.831 11.251 1.00 0.00 C ATOM 968 OE1 GLN A 63 -5.594 -2.809 11.878 1.00 0.00 O ATOM 969 NE2 GLN A 63 -6.860 -3.950 10.515 1.00 0.00 N ATOM 0 H GLN A 63 -3.155 -6.776 10.987 1.00 0.00 H new ATOM 0 HA GLN A 63 -5.453 -8.314 10.800 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -6.617 -6.123 11.540 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.299 -6.691 12.547 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.070 -4.816 12.116 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -4.225 -5.047 10.386 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -7.024 -4.808 9.988 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -7.533 -3.185 10.466 1.00 0.00 H new ATOM 978 N LEU A 64 -7.135 -7.261 9.078 1.00 0.00 N ATOM 979 CA LEU A 64 -7.881 -6.942 7.827 1.00 0.00 C ATOM 980 C LEU A 64 -8.628 -5.620 8.004 1.00 0.00 C ATOM 981 O LEU A 64 -8.552 -4.985 9.037 1.00 0.00 O ATOM 982 CB LEU A 64 -8.886 -8.056 7.530 1.00 0.00 C ATOM 983 CG LEU A 64 -8.189 -9.414 7.621 1.00 0.00 C ATOM 984 CD1 LEU A 64 -8.106 -9.848 9.084 1.00 0.00 C ATOM 985 CD2 LEU A 64 -8.990 -10.449 6.827 1.00 0.00 C ATOM 0 H LEU A 64 -7.686 -7.708 9.811 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.178 -6.858 6.998 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.713 -8.012 8.239 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -9.311 -7.920 6.536 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.183 -9.336 7.209 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.609 -10.816 9.149 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.538 -9.110 9.651 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.111 -9.928 9.497 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -8.495 -11.418 6.890 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -9.995 -10.527 7.241 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.051 -10.140 5.784 1.00 0.00 H new ATOM 997 N LEU A 65 -9.353 -5.199 7.004 1.00 0.00 N ATOM 998 CA LEU A 65 -10.106 -3.919 7.117 1.00 0.00 C ATOM 999 C LEU A 65 -11.604 -4.195 6.965 1.00 0.00 C ATOM 1000 O LEU A 65 -12.170 -4.032 5.902 1.00 0.00 O ATOM 1001 CB LEU A 65 -9.649 -2.960 6.017 1.00 0.00 C ATOM 1002 CG LEU A 65 -8.457 -2.141 6.514 1.00 0.00 C ATOM 1003 CD1 LEU A 65 -7.421 -3.076 7.144 1.00 0.00 C ATOM 1004 CD2 LEU A 65 -7.823 -1.398 5.336 1.00 0.00 C ATOM 0 H LEU A 65 -9.456 -5.686 6.114 1.00 0.00 H new ATOM 0 HA LEU A 65 -9.916 -3.469 8.092 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.371 -3.520 5.124 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.467 -2.297 5.736 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.796 -1.421 7.259 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.572 -2.492 7.498 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.872 -3.606 7.983 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.081 -3.796 6.400 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.973 -0.814 5.689 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.484 -2.118 4.592 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -8.560 -0.732 4.887 1.00 0.00 H new ATOM 1016 N MET A 66 -12.250 -4.612 8.018 1.00 0.00 N ATOM 1017 CA MET A 66 -13.709 -4.899 7.932 1.00 0.00 C ATOM 1018 C MET A 66 -14.496 -3.594 8.071 1.00 0.00 C ATOM 1019 O MET A 66 -15.532 -3.415 7.462 1.00 0.00 O ATOM 1020 CB MET A 66 -14.106 -5.858 9.057 1.00 0.00 C ATOM 1021 CG MET A 66 -14.639 -7.160 8.456 1.00 0.00 C ATOM 1022 SD MET A 66 -14.278 -8.533 9.579 1.00 0.00 S ATOM 1023 CE MET A 66 -15.639 -9.609 9.062 1.00 0.00 C ATOM 0 H MET A 66 -11.830 -4.767 8.935 1.00 0.00 H new ATOM 0 HA MET A 66 -13.934 -5.356 6.968 1.00 0.00 H new ATOM 0 HB2 MET A 66 -13.245 -6.065 9.693 1.00 0.00 H new ATOM 0 HB3 MET A 66 -14.866 -5.399 9.689 1.00 0.00 H new ATOM 0 HG2 MET A 66 -15.714 -7.084 8.291 1.00 0.00 H new ATOM 0 HG3 MET A 66 -14.179 -7.340 7.484 1.00 0.00 H new ATOM 0 HE1 MET A 66 -15.610 -10.534 9.637 1.00 0.00 H new ATOM 0 HE2 MET A 66 -16.589 -9.103 9.236 1.00 0.00 H new ATOM 0 HE3 MET A 66 -15.539 -9.838 8.001 1.00 0.00 H new ATOM 1033 N SER A 67 -14.013 -2.680 8.868 1.00 0.00 N ATOM 1034 CA SER A 67 -14.733 -1.388 9.048 1.00 0.00 C ATOM 1035 C SER A 67 -14.415 -0.456 7.873 1.00 0.00 C ATOM 1036 O SER A 67 -13.325 -0.486 7.339 1.00 0.00 O ATOM 1037 CB SER A 67 -14.281 -0.733 10.355 1.00 0.00 C ATOM 1038 OG SER A 67 -14.979 0.493 10.532 1.00 0.00 O ATOM 0 H SER A 67 -13.149 -2.773 9.403 1.00 0.00 H new ATOM 0 HA SER A 67 -15.807 -1.572 9.084 1.00 0.00 H new ATOM 0 HB2 SER A 67 -14.475 -1.400 11.195 1.00 0.00 H new ATOM 0 HB3 SER A 67 -13.206 -0.553 10.332 1.00 0.00 H new ATOM 0 HG SER A 67 -14.693 0.914 11.369 1.00 0.00 H new ATOM 1044 N PRO A 68 -15.382 0.348 7.509 1.00 0.00 N ATOM 1045 CA PRO A 68 -15.243 1.307 6.398 1.00 0.00 C ATOM 1046 C PRO A 68 -14.440 2.533 6.842 1.00 0.00 C ATOM 1047 O PRO A 68 -14.949 3.409 7.515 1.00 0.00 O ATOM 1048 CB PRO A 68 -16.689 1.692 6.073 1.00 0.00 C ATOM 1049 CG PRO A 68 -17.517 1.392 7.345 1.00 0.00 C ATOM 1050 CD PRO A 68 -16.703 0.377 8.171 1.00 0.00 C ATOM 0 HA PRO A 68 -14.713 0.893 5.541 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -16.759 2.746 5.803 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -17.062 1.120 5.223 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -17.694 2.303 7.916 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -18.494 0.985 7.084 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -16.620 0.687 9.213 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -17.172 -0.607 8.167 1.00 0.00 H new ATOM 1058 N GLY A 69 -13.190 2.609 6.468 1.00 0.00 N ATOM 1059 CA GLY A 69 -12.367 3.785 6.871 1.00 0.00 C ATOM 1060 C GLY A 69 -11.331 3.357 7.912 1.00 0.00 C ATOM 1061 O GLY A 69 -10.279 3.954 8.033 1.00 0.00 O ATOM 0 H GLY A 69 -12.706 1.911 5.904 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.868 4.207 5.999 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -13.007 4.566 7.281 1.00 0.00 H new ATOM 1065 N GLN A 70 -11.611 2.325 8.660 1.00 0.00 N ATOM 1066 CA GLN A 70 -10.629 1.866 9.681 1.00 0.00 C ATOM 1067 C GLN A 70 -9.350 1.438 8.964 1.00 0.00 C ATOM 1068 O GLN A 70 -9.303 0.405 8.328 1.00 0.00 O ATOM 1069 CB GLN A 70 -11.208 0.679 10.455 1.00 0.00 C ATOM 1070 CG GLN A 70 -10.241 0.277 11.571 1.00 0.00 C ATOM 1071 CD GLN A 70 -11.036 -0.143 12.809 1.00 0.00 C ATOM 1072 OE1 GLN A 70 -11.926 -0.966 12.723 1.00 0.00 O ATOM 1073 NE2 GLN A 70 -10.750 0.390 13.965 1.00 0.00 N ATOM 0 H GLN A 70 -12.473 1.782 8.608 1.00 0.00 H new ATOM 0 HA GLN A 70 -10.413 2.672 10.382 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -12.177 0.944 10.877 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -11.373 -0.162 9.782 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -9.606 -0.544 11.238 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -9.583 1.111 11.814 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -10.003 1.081 14.037 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -11.273 0.116 14.796 1.00 0.00 H new ATOM 1082 N SER A 71 -8.318 2.232 9.039 1.00 0.00 N ATOM 1083 CA SER A 71 -7.060 1.867 8.333 1.00 0.00 C ATOM 1084 C SER A 71 -5.843 2.156 9.213 1.00 0.00 C ATOM 1085 O SER A 71 -5.946 2.302 10.415 1.00 0.00 O ATOM 1086 CB SER A 71 -6.956 2.691 7.056 1.00 0.00 C ATOM 1087 OG SER A 71 -6.479 3.992 7.372 1.00 0.00 O ATOM 0 H SER A 71 -8.292 3.111 9.555 1.00 0.00 H new ATOM 0 HA SER A 71 -7.080 0.802 8.102 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.281 2.206 6.351 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.930 2.756 6.572 1.00 0.00 H new ATOM 0 HG SER A 71 -5.861 4.292 6.673 1.00 0.00 H new ATOM 1093 N THR A 72 -4.688 2.240 8.608 1.00 0.00 N ATOM 1094 CA THR A 72 -3.447 2.519 9.381 1.00 0.00 C ATOM 1095 C THR A 72 -2.426 3.193 8.459 1.00 0.00 C ATOM 1096 O THR A 72 -2.081 2.671 7.418 1.00 0.00 O ATOM 1097 CB THR A 72 -2.870 1.202 9.906 1.00 0.00 C ATOM 1098 OG1 THR A 72 -1.565 1.429 10.420 1.00 0.00 O ATOM 1099 CG2 THR A 72 -2.802 0.185 8.765 1.00 0.00 C ATOM 0 H THR A 72 -4.552 2.126 7.604 1.00 0.00 H new ATOM 0 HA THR A 72 -3.673 3.175 10.221 1.00 0.00 H new ATOM 0 HB THR A 72 -3.509 0.814 10.699 1.00 0.00 H new ATOM 0 HG1 THR A 72 -1.195 0.587 10.758 1.00 0.00 H new ATOM 0 HG21 THR A 72 -2.391 -0.753 9.138 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.804 0.012 8.372 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.162 0.571 7.971 1.00 0.00 H new ATOM 1107 N SER A 73 -1.942 4.349 8.828 1.00 0.00 N ATOM 1108 CA SER A 73 -0.949 5.051 7.961 1.00 0.00 C ATOM 1109 C SER A 73 0.434 4.432 8.164 1.00 0.00 C ATOM 1110 O SER A 73 0.850 4.165 9.274 1.00 0.00 O ATOM 1111 CB SER A 73 -0.903 6.534 8.333 1.00 0.00 C ATOM 1112 OG SER A 73 0.059 6.732 9.362 1.00 0.00 O ATOM 0 H SER A 73 -2.190 4.837 9.689 1.00 0.00 H new ATOM 0 HA SER A 73 -1.244 4.948 6.917 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.645 7.132 7.459 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.885 6.867 8.669 1.00 0.00 H new ATOM 0 HG SER A 73 0.091 7.682 9.601 1.00 0.00 H new ATOM 1118 N THR A 74 1.148 4.200 7.097 1.00 0.00 N ATOM 1119 CA THR A 74 2.503 3.595 7.221 1.00 0.00 C ATOM 1120 C THR A 74 3.566 4.692 7.151 1.00 0.00 C ATOM 1121 O THR A 74 3.742 5.337 6.136 1.00 0.00 O ATOM 1122 CB THR A 74 2.724 2.600 6.080 1.00 0.00 C ATOM 1123 OG1 THR A 74 1.776 1.548 6.181 1.00 0.00 O ATOM 1124 CG2 THR A 74 4.137 2.026 6.169 1.00 0.00 C ATOM 0 H THR A 74 0.850 4.404 6.143 1.00 0.00 H new ATOM 0 HA THR A 74 2.580 3.078 8.177 1.00 0.00 H new ATOM 0 HB THR A 74 2.601 3.109 5.124 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.233 1.518 5.366 1.00 0.00 H new ATOM 0 HG21 THR A 74 4.294 1.317 5.356 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.864 2.835 6.091 1.00 0.00 H new ATOM 0 HG23 THR A 74 4.263 1.516 7.124 1.00 0.00 H new ATOM 1132 N THR A 75 4.280 4.906 8.222 1.00 0.00 N ATOM 1133 CA THR A 75 5.334 5.958 8.220 1.00 0.00 C ATOM 1134 C THR A 75 6.621 5.388 7.624 1.00 0.00 C ATOM 1135 O THR A 75 7.511 4.968 8.338 1.00 0.00 O ATOM 1136 CB THR A 75 5.603 6.412 9.657 1.00 0.00 C ATOM 1137 OG1 THR A 75 6.809 7.162 9.697 1.00 0.00 O ATOM 1138 CG2 THR A 75 5.732 5.186 10.562 1.00 0.00 C ATOM 0 H THR A 75 4.178 4.396 9.100 1.00 0.00 H new ATOM 0 HA THR A 75 4.998 6.806 7.624 1.00 0.00 H new ATOM 0 HB THR A 75 4.778 7.033 10.004 1.00 0.00 H new ATOM 0 HG1 THR A 75 7.565 6.577 9.484 1.00 0.00 H new ATOM 0 HG21 THR A 75 5.924 5.508 11.586 1.00 0.00 H new ATOM 0 HG22 THR A 75 4.807 4.611 10.530 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.558 4.564 10.217 1.00 0.00 H new ATOM 1146 N PHE A 76 6.731 5.372 6.323 1.00 0.00 N ATOM 1147 CA PHE A 76 7.967 4.832 5.689 1.00 0.00 C ATOM 1148 C PHE A 76 9.190 5.352 6.452 1.00 0.00 C ATOM 1149 O PHE A 76 9.158 6.432 7.007 1.00 0.00 O ATOM 1150 CB PHE A 76 8.026 5.283 4.228 1.00 0.00 C ATOM 1151 CG PHE A 76 7.260 4.299 3.371 1.00 0.00 C ATOM 1152 CD1 PHE A 76 5.860 4.260 3.424 1.00 0.00 C ATOM 1153 CD2 PHE A 76 7.951 3.423 2.525 1.00 0.00 C ATOM 1154 CE1 PHE A 76 5.156 3.344 2.632 1.00 0.00 C ATOM 1155 CE2 PHE A 76 7.247 2.508 1.735 1.00 0.00 C ATOM 1156 CZ PHE A 76 5.849 2.469 1.788 1.00 0.00 C ATOM 0 H PHE A 76 6.020 5.709 5.674 1.00 0.00 H new ATOM 0 HA PHE A 76 7.959 3.743 5.723 1.00 0.00 H new ATOM 0 HB2 PHE A 76 7.600 6.281 4.126 1.00 0.00 H new ATOM 0 HB3 PHE A 76 9.062 5.343 3.895 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.325 4.935 4.075 1.00 0.00 H new ATOM 0 HD2 PHE A 76 9.030 3.454 2.482 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.077 3.313 2.673 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.782 1.832 1.084 1.00 0.00 H new ATOM 0 HZ PHE A 76 5.305 1.764 1.177 1.00 0.00 H new ATOM 1166 N PRO A 77 10.227 4.556 6.470 1.00 0.00 N ATOM 1167 CA PRO A 77 11.477 4.896 7.174 1.00 0.00 C ATOM 1168 C PRO A 77 12.284 5.927 6.383 1.00 0.00 C ATOM 1169 O PRO A 77 11.995 6.211 5.238 1.00 0.00 O ATOM 1170 CB PRO A 77 12.221 3.560 7.252 1.00 0.00 C ATOM 1171 CG PRO A 77 11.643 2.673 6.125 1.00 0.00 C ATOM 1172 CD PRO A 77 10.255 3.247 5.785 1.00 0.00 C ATOM 0 HA PRO A 77 11.305 5.342 8.154 1.00 0.00 H new ATOM 0 HB2 PRO A 77 13.293 3.704 7.121 1.00 0.00 H new ATOM 0 HB3 PRO A 77 12.079 3.092 8.226 1.00 0.00 H new ATOM 0 HG2 PRO A 77 12.293 2.685 5.250 1.00 0.00 H new ATOM 0 HG3 PRO A 77 11.565 1.635 6.450 1.00 0.00 H new ATOM 0 HD2 PRO A 77 10.122 3.358 4.709 1.00 0.00 H new ATOM 0 HD3 PRO A 77 9.457 2.595 6.139 1.00 0.00 H new ATOM 1180 N ALA A 78 13.298 6.484 6.987 1.00 0.00 N ATOM 1181 CA ALA A 78 14.131 7.495 6.275 1.00 0.00 C ATOM 1182 C ALA A 78 15.080 6.792 5.303 1.00 0.00 C ATOM 1183 O ALA A 78 15.935 7.412 4.701 1.00 0.00 O ATOM 1184 CB ALA A 78 14.948 8.290 7.295 1.00 0.00 C ATOM 0 H ALA A 78 13.586 6.282 7.944 1.00 0.00 H new ATOM 0 HA ALA A 78 13.480 8.170 5.719 1.00 0.00 H new ATOM 0 HB1 ALA A 78 15.558 9.030 6.776 1.00 0.00 H new ATOM 0 HB2 ALA A 78 14.274 8.796 7.986 1.00 0.00 H new ATOM 0 HB3 ALA A 78 15.595 7.612 7.851 1.00 0.00 H new ATOM 1190 N ASP A 79 14.941 5.505 5.141 1.00 0.00 N ATOM 1191 CA ASP A 79 15.838 4.775 4.208 1.00 0.00 C ATOM 1192 C ASP A 79 15.117 4.565 2.877 1.00 0.00 C ATOM 1193 O ASP A 79 15.368 5.260 1.914 1.00 0.00 O ATOM 1194 CB ASP A 79 16.205 3.416 4.807 1.00 0.00 C ATOM 1195 CG ASP A 79 17.065 2.637 3.811 1.00 0.00 C ATOM 1196 OD1 ASP A 79 18.171 3.076 3.544 1.00 0.00 O ATOM 1197 OD2 ASP A 79 16.602 1.615 3.331 1.00 0.00 O ATOM 0 H ASP A 79 14.245 4.930 5.615 1.00 0.00 H new ATOM 0 HA ASP A 79 16.746 5.356 4.047 1.00 0.00 H new ATOM 0 HB2 ASP A 79 16.747 3.553 5.743 1.00 0.00 H new ATOM 0 HB3 ASP A 79 15.301 2.854 5.042 1.00 0.00 H new ATOM 1202 N ALA A 80 14.222 3.615 2.815 1.00 0.00 N ATOM 1203 CA ALA A 80 13.493 3.368 1.540 1.00 0.00 C ATOM 1204 C ALA A 80 14.517 3.091 0.428 1.00 0.00 C ATOM 1205 O ALA A 80 15.228 3.983 0.010 1.00 0.00 O ATOM 1206 CB ALA A 80 12.664 4.603 1.184 1.00 0.00 C ATOM 0 H ALA A 80 13.966 3.002 3.589 1.00 0.00 H new ATOM 0 HA ALA A 80 12.829 2.510 1.648 1.00 0.00 H new ATOM 0 HB1 ALA A 80 12.129 4.426 0.251 1.00 0.00 H new ATOM 0 HB2 ALA A 80 11.948 4.802 1.981 1.00 0.00 H new ATOM 0 HB3 ALA A 80 13.324 5.463 1.066 1.00 0.00 H new ATOM 1212 N PRO A 81 14.574 1.860 -0.014 1.00 0.00 N ATOM 1213 CA PRO A 81 15.519 1.443 -1.066 1.00 0.00 C ATOM 1214 C PRO A 81 15.064 1.954 -2.435 1.00 0.00 C ATOM 1215 O PRO A 81 14.045 1.545 -2.956 1.00 0.00 O ATOM 1216 CB PRO A 81 15.480 -0.086 -1.002 1.00 0.00 C ATOM 1217 CG PRO A 81 14.139 -0.459 -0.329 1.00 0.00 C ATOM 1218 CD PRO A 81 13.700 0.776 0.479 1.00 0.00 C ATOM 0 HA PRO A 81 16.523 1.841 -0.921 1.00 0.00 H new ATOM 0 HB2 PRO A 81 15.547 -0.519 -2.000 1.00 0.00 H new ATOM 0 HB3 PRO A 81 16.323 -0.473 -0.429 1.00 0.00 H new ATOM 0 HG2 PRO A 81 13.389 -0.721 -1.076 1.00 0.00 H new ATOM 0 HG3 PRO A 81 14.258 -1.326 0.321 1.00 0.00 H new ATOM 0 HD2 PRO A 81 12.648 1.007 0.314 1.00 0.00 H new ATOM 0 HD3 PRO A 81 13.827 0.617 1.550 1.00 0.00 H new ATOM 1226 N ALA A 82 15.815 2.849 -3.020 1.00 0.00 N ATOM 1227 CA ALA A 82 15.431 3.391 -4.353 1.00 0.00 C ATOM 1228 C ALA A 82 15.034 2.239 -5.276 1.00 0.00 C ATOM 1229 O ALA A 82 15.861 1.460 -5.706 1.00 0.00 O ATOM 1230 CB ALA A 82 16.617 4.142 -4.961 1.00 0.00 C ATOM 0 H ALA A 82 16.678 3.228 -2.631 1.00 0.00 H new ATOM 0 HA ALA A 82 14.589 4.073 -4.237 1.00 0.00 H new ATOM 0 HB1 ALA A 82 16.335 4.538 -5.937 1.00 0.00 H new ATOM 0 HB2 ALA A 82 16.903 4.964 -4.304 1.00 0.00 H new ATOM 0 HB3 ALA A 82 17.459 3.460 -5.076 1.00 0.00 H new ATOM 1236 N GLY A 83 13.773 2.124 -5.586 1.00 0.00 N ATOM 1237 CA GLY A 83 13.324 1.023 -6.481 1.00 0.00 C ATOM 1238 C GLY A 83 11.810 1.102 -6.665 1.00 0.00 C ATOM 1239 O GLY A 83 11.285 2.080 -7.158 1.00 0.00 O ATOM 0 H GLY A 83 13.034 2.746 -5.258 1.00 0.00 H new ATOM 0 HA2 GLY A 83 13.823 1.099 -7.447 1.00 0.00 H new ATOM 0 HA3 GLY A 83 13.599 0.058 -6.055 1.00 0.00 H new ATOM 1243 N GLU A 84 11.101 0.080 -6.273 1.00 0.00 N ATOM 1244 CA GLU A 84 9.621 0.103 -6.429 1.00 0.00 C ATOM 1245 C GLU A 84 8.986 -0.928 -5.495 1.00 0.00 C ATOM 1246 O GLU A 84 9.042 -2.117 -5.738 1.00 0.00 O ATOM 1247 CB GLU A 84 9.256 -0.229 -7.878 1.00 0.00 C ATOM 1248 CG GLU A 84 10.129 -1.383 -8.374 1.00 0.00 C ATOM 1249 CD GLU A 84 9.618 -1.860 -9.735 1.00 0.00 C ATOM 1250 OE1 GLU A 84 8.412 -1.966 -9.888 1.00 0.00 O ATOM 1251 OE2 GLU A 84 10.440 -2.110 -10.600 1.00 0.00 O ATOM 0 H GLU A 84 11.482 -0.768 -5.853 1.00 0.00 H new ATOM 0 HA GLU A 84 9.248 1.095 -6.176 1.00 0.00 H new ATOM 0 HB2 GLU A 84 8.203 -0.501 -7.945 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.400 0.647 -8.510 1.00 0.00 H new ATOM 0 HG2 GLU A 84 11.167 -1.059 -8.456 1.00 0.00 H new ATOM 0 HG3 GLU A 84 10.107 -2.204 -7.657 1.00 0.00 H new ATOM 1258 N TYR A 85 8.370 -0.484 -4.435 1.00 0.00 N ATOM 1259 CA TYR A 85 7.718 -1.441 -3.498 1.00 0.00 C ATOM 1260 C TYR A 85 6.343 -1.800 -4.057 1.00 0.00 C ATOM 1261 O TYR A 85 5.588 -0.938 -4.453 1.00 0.00 O ATOM 1262 CB TYR A 85 7.561 -0.791 -2.123 1.00 0.00 C ATOM 1263 CG TYR A 85 8.733 0.124 -1.864 1.00 0.00 C ATOM 1264 CD1 TYR A 85 10.010 -0.226 -2.319 1.00 0.00 C ATOM 1265 CD2 TYR A 85 8.542 1.322 -1.167 1.00 0.00 C ATOM 1266 CE1 TYR A 85 11.096 0.623 -2.078 1.00 0.00 C ATOM 1267 CE2 TYR A 85 9.628 2.171 -0.926 1.00 0.00 C ATOM 1268 CZ TYR A 85 10.904 1.821 -1.381 1.00 0.00 C ATOM 1269 OH TYR A 85 11.974 2.657 -1.143 1.00 0.00 O ATOM 0 H TYR A 85 8.290 0.500 -4.177 1.00 0.00 H new ATOM 0 HA TYR A 85 8.328 -2.339 -3.395 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.629 -0.227 -2.079 1.00 0.00 H new ATOM 0 HB3 TYR A 85 7.506 -1.558 -1.350 1.00 0.00 H new ATOM 0 HD1 TYR A 85 10.157 -1.151 -2.856 1.00 0.00 H new ATOM 0 HD2 TYR A 85 7.557 1.591 -0.815 1.00 0.00 H new ATOM 0 HE1 TYR A 85 12.081 0.354 -2.430 1.00 0.00 H new ATOM 0 HE2 TYR A 85 9.481 3.096 -0.389 1.00 0.00 H new ATOM 0 HH TYR A 85 12.685 2.471 -1.792 1.00 0.00 H new ATOM 1279 N THR A 86 6.014 -3.060 -4.114 1.00 0.00 N ATOM 1280 CA THR A 86 4.689 -3.446 -4.674 1.00 0.00 C ATOM 1281 C THR A 86 3.786 -4.015 -3.580 1.00 0.00 C ATOM 1282 O THR A 86 4.066 -5.045 -3.000 1.00 0.00 O ATOM 1283 CB THR A 86 4.886 -4.502 -5.763 1.00 0.00 C ATOM 1284 OG1 THR A 86 5.709 -3.971 -6.792 1.00 0.00 O ATOM 1285 CG2 THR A 86 3.527 -4.896 -6.343 1.00 0.00 C ATOM 0 H THR A 86 6.600 -3.834 -3.800 1.00 0.00 H new ATOM 0 HA THR A 86 4.216 -2.558 -5.094 1.00 0.00 H new ATOM 0 HB THR A 86 5.365 -5.383 -5.335 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.838 -4.647 -7.490 1.00 0.00 H new ATOM 0 HG21 THR A 86 3.667 -5.648 -7.119 1.00 0.00 H new ATOM 0 HG22 THR A 86 2.898 -5.304 -5.552 1.00 0.00 H new ATOM 0 HG23 THR A 86 3.046 -4.017 -6.772 1.00 0.00 H new ATOM 1293 N PHE A 87 2.689 -3.363 -3.314 1.00 0.00 N ATOM 1294 CA PHE A 87 1.749 -3.872 -2.285 1.00 0.00 C ATOM 1295 C PHE A 87 0.469 -4.334 -2.981 1.00 0.00 C ATOM 1296 O PHE A 87 0.276 -4.094 -4.156 1.00 0.00 O ATOM 1297 CB PHE A 87 1.426 -2.777 -1.266 1.00 0.00 C ATOM 1298 CG PHE A 87 1.526 -1.432 -1.929 1.00 0.00 C ATOM 1299 CD1 PHE A 87 2.783 -0.884 -2.194 1.00 0.00 C ATOM 1300 CD2 PHE A 87 0.368 -0.738 -2.282 1.00 0.00 C ATOM 1301 CE1 PHE A 87 2.884 0.363 -2.813 1.00 0.00 C ATOM 1302 CE2 PHE A 87 0.465 0.509 -2.902 1.00 0.00 C ATOM 1303 CZ PHE A 87 1.724 1.062 -3.169 1.00 0.00 C ATOM 0 H PHE A 87 2.404 -2.496 -3.769 1.00 0.00 H new ATOM 0 HA PHE A 87 2.206 -4.706 -1.753 1.00 0.00 H new ATOM 0 HB2 PHE A 87 0.423 -2.923 -0.865 1.00 0.00 H new ATOM 0 HB3 PHE A 87 2.117 -2.832 -0.425 1.00 0.00 H new ATOM 0 HD1 PHE A 87 3.677 -1.425 -1.920 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -0.602 -1.165 -2.076 1.00 0.00 H new ATOM 0 HE1 PHE A 87 3.856 0.788 -3.017 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -0.430 1.047 -3.176 1.00 0.00 H new ATOM 0 HZ PHE A 87 1.800 2.027 -3.649 1.00 0.00 H new ATOM 1313 N TYR A 88 -0.407 -4.999 -2.282 1.00 0.00 N ATOM 1314 CA TYR A 88 -1.656 -5.468 -2.937 1.00 0.00 C ATOM 1315 C TYR A 88 -2.731 -5.743 -1.883 1.00 0.00 C ATOM 1316 O TYR A 88 -2.730 -5.166 -0.814 1.00 0.00 O ATOM 1317 CB TYR A 88 -1.363 -6.747 -3.725 1.00 0.00 C ATOM 1318 CG TYR A 88 -0.934 -7.837 -2.773 1.00 0.00 C ATOM 1319 CD1 TYR A 88 0.290 -7.735 -2.101 1.00 0.00 C ATOM 1320 CD2 TYR A 88 -1.757 -8.949 -2.563 1.00 0.00 C ATOM 1321 CE1 TYR A 88 0.691 -8.747 -1.220 1.00 0.00 C ATOM 1322 CE2 TYR A 88 -1.356 -9.961 -1.682 1.00 0.00 C ATOM 1323 CZ TYR A 88 -0.133 -9.859 -1.010 1.00 0.00 C ATOM 1324 OH TYR A 88 0.264 -10.856 -0.141 1.00 0.00 O ATOM 0 H TYR A 88 -0.313 -5.236 -1.294 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.019 -4.696 -3.615 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -2.250 -7.059 -4.276 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -0.580 -6.563 -4.460 1.00 0.00 H new ATOM 0 HD1 TYR A 88 0.925 -6.876 -2.262 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.702 -9.027 -3.081 1.00 0.00 H new ATOM 0 HE1 TYR A 88 1.636 -8.670 -0.703 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -1.991 -10.820 -1.521 1.00 0.00 H new ATOM 0 HH TYR A 88 -0.423 -11.555 -0.109 1.00 0.00 H new ATOM 1334 N CYS A 89 -3.657 -6.612 -2.186 1.00 0.00 N ATOM 1335 CA CYS A 89 -4.745 -6.917 -1.217 1.00 0.00 C ATOM 1336 C CYS A 89 -4.855 -8.430 -1.021 1.00 0.00 C ATOM 1337 O CYS A 89 -4.727 -9.197 -1.953 1.00 0.00 O ATOM 1338 CB CYS A 89 -6.066 -6.393 -1.779 1.00 0.00 C ATOM 1339 SG CYS A 89 -6.629 -4.975 -0.810 1.00 0.00 S ATOM 0 H CYS A 89 -3.706 -7.125 -3.066 1.00 0.00 H new ATOM 0 HA CYS A 89 -4.524 -6.443 -0.261 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -5.938 -6.104 -2.822 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -6.819 -7.181 -1.757 1.00 0.00 H new ATOM 1344 N GLU A 90 -5.111 -8.865 0.182 1.00 0.00 N ATOM 1345 CA GLU A 90 -5.250 -10.326 0.428 1.00 0.00 C ATOM 1346 C GLU A 90 -6.572 -10.826 -0.175 1.00 0.00 C ATOM 1347 O GLU A 90 -6.590 -11.832 -0.856 1.00 0.00 O ATOM 1348 CB GLU A 90 -5.232 -10.609 1.933 1.00 0.00 C ATOM 1349 CG GLU A 90 -4.636 -11.997 2.182 1.00 0.00 C ATOM 1350 CD GLU A 90 -3.213 -12.050 1.624 1.00 0.00 C ATOM 1351 OE1 GLU A 90 -2.415 -11.211 2.008 1.00 0.00 O ATOM 1352 OE2 GLU A 90 -2.945 -12.930 0.822 1.00 0.00 O ATOM 0 H GLU A 90 -5.230 -8.272 1.003 1.00 0.00 H new ATOM 0 HA GLU A 90 -4.416 -10.847 -0.042 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -4.644 -9.851 2.450 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -6.243 -10.558 2.336 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -4.627 -12.214 3.250 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -5.253 -12.760 1.707 1.00 0.00 H new ATOM 1359 N PRO A 91 -7.644 -10.109 0.087 1.00 0.00 N ATOM 1360 CA PRO A 91 -8.976 -10.469 -0.428 1.00 0.00 C ATOM 1361 C PRO A 91 -9.120 -10.026 -1.889 1.00 0.00 C ATOM 1362 O PRO A 91 -9.188 -10.839 -2.789 1.00 0.00 O ATOM 1363 CB PRO A 91 -9.935 -9.692 0.476 1.00 0.00 C ATOM 1364 CG PRO A 91 -9.122 -8.517 1.067 1.00 0.00 C ATOM 1365 CD PRO A 91 -7.635 -8.884 0.917 1.00 0.00 C ATOM 0 HA PRO A 91 -9.165 -11.542 -0.415 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -10.791 -9.326 -0.090 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -10.326 -10.331 1.268 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -9.346 -7.589 0.541 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -9.377 -8.359 2.115 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -7.074 -8.082 0.437 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -7.170 -9.063 1.886 1.00 0.00 H new ATOM 1373 N HIS A 92 -9.161 -8.743 -2.133 1.00 0.00 N ATOM 1374 CA HIS A 92 -9.295 -8.258 -3.537 1.00 0.00 C ATOM 1375 C HIS A 92 -7.993 -8.544 -4.291 1.00 0.00 C ATOM 1376 O HIS A 92 -7.295 -7.641 -4.710 1.00 0.00 O ATOM 1377 CB HIS A 92 -9.564 -6.749 -3.542 1.00 0.00 C ATOM 1378 CG HIS A 92 -10.499 -6.393 -2.417 1.00 0.00 C ATOM 1379 ND1 HIS A 92 -10.041 -5.841 -1.224 1.00 0.00 N ATOM 1380 CD2 HIS A 92 -11.864 -6.502 -2.286 1.00 0.00 C ATOM 1381 CE1 HIS A 92 -11.122 -5.649 -0.441 1.00 0.00 C ATOM 1382 NE2 HIS A 92 -12.243 -6.036 -1.042 1.00 0.00 N ATOM 0 H HIS A 92 -9.108 -8.012 -1.423 1.00 0.00 H new ATOM 0 HA HIS A 92 -10.126 -8.771 -4.021 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -8.627 -6.203 -3.434 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -9.999 -6.451 -4.496 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -12.534 -6.891 -3.038 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -11.082 -5.231 0.554 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -13.189 -5.997 -0.662 1.00 0.00 H new ATOM 1390 N ARG A 93 -7.658 -9.794 -4.462 1.00 0.00 N ATOM 1391 CA ARG A 93 -6.399 -10.140 -5.181 1.00 0.00 C ATOM 1392 C ARG A 93 -6.653 -10.149 -6.689 1.00 0.00 C ATOM 1393 O ARG A 93 -5.735 -10.226 -7.481 1.00 0.00 O ATOM 1394 CB ARG A 93 -5.922 -11.525 -4.736 1.00 0.00 C ATOM 1395 CG ARG A 93 -4.659 -11.383 -3.883 1.00 0.00 C ATOM 1396 CD ARG A 93 -3.840 -12.672 -3.965 1.00 0.00 C ATOM 1397 NE ARG A 93 -4.679 -13.822 -3.522 1.00 0.00 N ATOM 1398 CZ ARG A 93 -4.287 -15.044 -3.758 1.00 0.00 C ATOM 1399 NH1 ARG A 93 -3.810 -15.362 -4.930 1.00 0.00 N ATOM 1400 NH2 ARG A 93 -4.373 -15.949 -2.821 1.00 0.00 N ATOM 0 H ARG A 93 -8.203 -10.592 -4.134 1.00 0.00 H new ATOM 0 HA ARG A 93 -5.635 -9.398 -4.948 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -6.705 -12.024 -4.165 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -5.717 -12.147 -5.607 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -4.064 -10.539 -4.233 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -4.928 -11.176 -2.847 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -3.495 -12.832 -4.986 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -2.952 -12.592 -3.337 1.00 0.00 H new ATOM 0 HE ARG A 93 -5.559 -13.654 -3.035 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -3.743 -14.655 -5.662 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -3.504 -16.317 -5.114 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -4.747 -15.701 -1.905 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -4.067 -16.904 -3.005 1.00 0.00 H new ATOM 1414 N GLY A 94 -7.890 -10.073 -7.094 1.00 0.00 N ATOM 1415 CA GLY A 94 -8.196 -10.078 -8.552 1.00 0.00 C ATOM 1416 C GLY A 94 -8.982 -8.817 -8.915 1.00 0.00 C ATOM 1417 O GLY A 94 -10.051 -8.884 -9.489 1.00 0.00 O ATOM 0 H GLY A 94 -8.701 -10.008 -6.479 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -7.272 -10.121 -9.128 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -8.774 -10.966 -8.810 1.00 0.00 H new ATOM 1421 N ALA A 95 -8.461 -7.666 -8.584 1.00 0.00 N ATOM 1422 CA ALA A 95 -9.180 -6.401 -8.911 1.00 0.00 C ATOM 1423 C ALA A 95 -8.167 -5.271 -9.101 1.00 0.00 C ATOM 1424 O ALA A 95 -8.392 -4.148 -8.695 1.00 0.00 O ATOM 1425 CB ALA A 95 -10.132 -6.046 -7.767 1.00 0.00 C ATOM 0 H ALA A 95 -7.570 -7.547 -8.102 1.00 0.00 H new ATOM 0 HA ALA A 95 -9.750 -6.535 -9.831 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -10.658 -5.121 -8.005 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -10.855 -6.851 -7.632 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -9.562 -5.913 -6.847 1.00 0.00 H new ATOM 1431 N GLY A 96 -7.056 -5.558 -9.721 1.00 0.00 N ATOM 1432 CA GLY A 96 -6.027 -4.503 -9.947 1.00 0.00 C ATOM 1433 C GLY A 96 -5.762 -3.737 -8.648 1.00 0.00 C ATOM 1434 O GLY A 96 -5.282 -2.620 -8.665 1.00 0.00 O ATOM 0 H GLY A 96 -6.815 -6.481 -10.082 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -5.103 -4.957 -10.305 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -6.365 -3.815 -10.721 1.00 0.00 H new ATOM 1438 N MET A 97 -6.062 -4.322 -7.521 1.00 0.00 N ATOM 1439 CA MET A 97 -5.815 -3.615 -6.232 1.00 0.00 C ATOM 1440 C MET A 97 -4.336 -3.751 -5.861 1.00 0.00 C ATOM 1441 O MET A 97 -3.993 -4.220 -4.795 1.00 0.00 O ATOM 1442 CB MET A 97 -6.681 -4.234 -5.130 1.00 0.00 C ATOM 1443 CG MET A 97 -8.157 -3.956 -5.427 1.00 0.00 C ATOM 1444 SD MET A 97 -9.000 -3.416 -3.916 1.00 0.00 S ATOM 1445 CE MET A 97 -8.797 -1.637 -4.156 1.00 0.00 C ATOM 0 H MET A 97 -6.466 -5.255 -7.436 1.00 0.00 H new ATOM 0 HA MET A 97 -6.071 -2.561 -6.338 1.00 0.00 H new ATOM 0 HB2 MET A 97 -6.506 -5.308 -5.075 1.00 0.00 H new ATOM 0 HB3 MET A 97 -6.409 -3.817 -4.161 1.00 0.00 H new ATOM 0 HG2 MET A 97 -8.244 -3.189 -6.196 1.00 0.00 H new ATOM 0 HG3 MET A 97 -8.634 -4.855 -5.818 1.00 0.00 H new ATOM 0 HE1 MET A 97 -9.675 -1.116 -3.774 1.00 0.00 H new ATOM 0 HE2 MET A 97 -7.911 -1.296 -3.620 1.00 0.00 H new ATOM 0 HE3 MET A 97 -8.682 -1.424 -5.219 1.00 0.00 H new ATOM 1455 N VAL A 98 -3.456 -3.346 -6.738 1.00 0.00 N ATOM 1456 CA VAL A 98 -2.000 -3.456 -6.439 1.00 0.00 C ATOM 1457 C VAL A 98 -1.313 -2.118 -6.727 1.00 0.00 C ATOM 1458 O VAL A 98 -1.232 -1.682 -7.858 1.00 0.00 O ATOM 1459 CB VAL A 98 -1.382 -4.546 -7.319 1.00 0.00 C ATOM 1460 CG1 VAL A 98 0.082 -4.751 -6.927 1.00 0.00 C ATOM 1461 CG2 VAL A 98 -2.147 -5.857 -7.122 1.00 0.00 C ATOM 0 H VAL A 98 -3.683 -2.944 -7.648 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.864 -3.713 -5.388 1.00 0.00 H new ATOM 0 HB VAL A 98 -1.441 -4.242 -8.364 1.00 0.00 H new ATOM 0 HG11 VAL A 98 0.521 -5.527 -7.554 1.00 0.00 H new ATOM 0 HG12 VAL A 98 0.630 -3.819 -7.066 1.00 0.00 H new ATOM 0 HG13 VAL A 98 0.140 -5.053 -5.881 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -1.707 -6.633 -7.749 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.089 -6.159 -6.076 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -3.191 -5.714 -7.401 1.00 0.00 H new ATOM 1471 N GLY A 99 -0.818 -1.463 -5.712 1.00 0.00 N ATOM 1472 CA GLY A 99 -0.139 -0.158 -5.925 1.00 0.00 C ATOM 1473 C GLY A 99 1.374 -0.373 -6.009 1.00 0.00 C ATOM 1474 O GLY A 99 1.851 -1.490 -6.030 1.00 0.00 O ATOM 0 H GLY A 99 -0.856 -1.778 -4.743 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -0.502 0.307 -6.842 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -0.375 0.523 -5.108 1.00 0.00 H new ATOM 1478 N LYS A 100 2.134 0.688 -6.057 1.00 0.00 N ATOM 1479 CA LYS A 100 3.615 0.541 -6.138 1.00 0.00 C ATOM 1480 C LYS A 100 4.287 1.846 -5.701 1.00 0.00 C ATOM 1481 O LYS A 100 4.049 2.895 -6.265 1.00 0.00 O ATOM 1482 CB LYS A 100 4.019 0.218 -7.577 1.00 0.00 C ATOM 1483 CG LYS A 100 4.040 -1.298 -7.773 1.00 0.00 C ATOM 1484 CD LYS A 100 4.974 -1.650 -8.931 1.00 0.00 C ATOM 1485 CE LYS A 100 4.379 -2.812 -9.727 1.00 0.00 C ATOM 1486 NZ LYS A 100 5.431 -3.408 -10.598 1.00 0.00 N ATOM 0 H LYS A 100 1.793 1.649 -6.044 1.00 0.00 H new ATOM 0 HA LYS A 100 3.933 -0.268 -5.480 1.00 0.00 H new ATOM 0 HB2 LYS A 100 3.317 0.676 -8.274 1.00 0.00 H new ATOM 0 HB3 LYS A 100 5.002 0.637 -7.793 1.00 0.00 H new ATOM 0 HG2 LYS A 100 4.375 -1.789 -6.859 1.00 0.00 H new ATOM 0 HG3 LYS A 100 3.034 -1.663 -7.980 1.00 0.00 H new ATOM 0 HD2 LYS A 100 5.111 -0.784 -9.578 1.00 0.00 H new ATOM 0 HD3 LYS A 100 5.958 -1.922 -8.549 1.00 0.00 H new ATOM 0 HE2 LYS A 100 3.983 -3.567 -9.048 1.00 0.00 H new ATOM 0 HE3 LYS A 100 3.545 -2.461 -10.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 5.188 -3.247 -11.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 6.348 -2.964 -10.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 5.493 -4.430 -10.418 1.00 0.00 H new ATOM 1500 N ILE A 101 5.129 1.791 -4.702 1.00 0.00 N ATOM 1501 CA ILE A 101 5.816 3.031 -4.235 1.00 0.00 C ATOM 1502 C ILE A 101 7.146 3.188 -4.984 1.00 0.00 C ATOM 1503 O ILE A 101 8.029 2.359 -4.882 1.00 0.00 O ATOM 1504 CB ILE A 101 6.065 2.941 -2.713 1.00 0.00 C ATOM 1505 CG1 ILE A 101 4.905 3.623 -1.972 1.00 0.00 C ATOM 1506 CG2 ILE A 101 7.386 3.631 -2.337 1.00 0.00 C ATOM 1507 CD1 ILE A 101 5.320 3.956 -0.531 1.00 0.00 C ATOM 0 H ILE A 101 5.370 0.942 -4.190 1.00 0.00 H new ATOM 0 HA ILE A 101 5.189 3.899 -4.438 1.00 0.00 H new ATOM 0 HB ILE A 101 6.128 1.891 -2.428 1.00 0.00 H new ATOM 0 HG12 ILE A 101 4.616 4.535 -2.495 1.00 0.00 H new ATOM 0 HG13 ILE A 101 4.033 2.969 -1.965 1.00 0.00 H new ATOM 0 HG21 ILE A 101 7.542 3.556 -1.261 1.00 0.00 H new ATOM 0 HG22 ILE A 101 8.211 3.146 -2.858 1.00 0.00 H new ATOM 0 HG23 ILE A 101 7.343 4.681 -2.625 1.00 0.00 H new ATOM 0 HD11 ILE A 101 4.490 4.439 -0.016 1.00 0.00 H new ATOM 0 HD12 ILE A 101 5.587 3.038 -0.008 1.00 0.00 H new ATOM 0 HD13 ILE A 101 6.178 4.628 -0.546 1.00 0.00 H new ATOM 1519 N THR A 102 7.300 4.255 -5.716 1.00 0.00 N ATOM 1520 CA THR A 102 8.577 4.481 -6.448 1.00 0.00 C ATOM 1521 C THR A 102 9.366 5.565 -5.716 1.00 0.00 C ATOM 1522 O THR A 102 9.155 6.744 -5.919 1.00 0.00 O ATOM 1523 CB THR A 102 8.284 4.938 -7.880 1.00 0.00 C ATOM 1524 OG1 THR A 102 7.147 4.245 -8.374 1.00 0.00 O ATOM 1525 CG2 THR A 102 9.493 4.637 -8.767 1.00 0.00 C ATOM 0 H THR A 102 6.595 4.982 -5.839 1.00 0.00 H new ATOM 0 HA THR A 102 9.152 3.556 -6.487 1.00 0.00 H new ATOM 0 HB THR A 102 8.086 6.010 -7.888 1.00 0.00 H new ATOM 0 HG1 THR A 102 6.958 4.538 -9.290 1.00 0.00 H new ATOM 0 HG21 THR A 102 9.286 4.962 -9.787 1.00 0.00 H new ATOM 0 HG22 THR A 102 10.365 5.169 -8.387 1.00 0.00 H new ATOM 0 HG23 THR A 102 9.691 3.565 -8.761 1.00 0.00 H new ATOM 1533 N VAL A 103 10.262 5.178 -4.852 1.00 0.00 N ATOM 1534 CA VAL A 103 11.047 6.190 -4.093 1.00 0.00 C ATOM 1535 C VAL A 103 12.420 6.374 -4.741 1.00 0.00 C ATOM 1536 O VAL A 103 13.132 5.424 -4.998 1.00 0.00 O ATOM 1537 CB VAL A 103 11.219 5.715 -2.649 1.00 0.00 C ATOM 1538 CG1 VAL A 103 12.119 6.691 -1.892 1.00 0.00 C ATOM 1539 CG2 VAL A 103 9.850 5.654 -1.967 1.00 0.00 C ATOM 0 H VAL A 103 10.484 4.206 -4.639 1.00 0.00 H new ATOM 0 HA VAL A 103 10.518 7.143 -4.104 1.00 0.00 H new ATOM 0 HB VAL A 103 11.674 4.725 -2.646 1.00 0.00 H new ATOM 0 HG11 VAL A 103 12.240 6.351 -0.864 1.00 0.00 H new ATOM 0 HG12 VAL A 103 13.094 6.737 -2.376 1.00 0.00 H new ATOM 0 HG13 VAL A 103 11.665 7.682 -1.895 1.00 0.00 H new ATOM 0 HG21 VAL A 103 9.971 5.316 -0.938 1.00 0.00 H new ATOM 0 HG22 VAL A 103 9.396 6.645 -1.972 1.00 0.00 H new ATOM 0 HG23 VAL A 103 9.206 4.958 -2.505 1.00 0.00 H new ATOM 1549 N ALA A 104 12.794 7.596 -5.007 1.00 0.00 N ATOM 1550 CA ALA A 104 14.118 7.855 -5.637 1.00 0.00 C ATOM 1551 C ALA A 104 15.172 8.054 -4.546 1.00 0.00 C ATOM 1552 O ALA A 104 14.871 8.043 -3.369 1.00 0.00 O ATOM 1553 CB ALA A 104 14.031 9.117 -6.497 1.00 0.00 C ATOM 0 H ALA A 104 12.237 8.428 -4.814 1.00 0.00 H new ATOM 0 HA ALA A 104 14.398 7.006 -6.261 1.00 0.00 H new ATOM 0 HB1 ALA A 104 14.999 9.309 -6.960 1.00 0.00 H new ATOM 0 HB2 ALA A 104 13.279 8.977 -7.274 1.00 0.00 H new ATOM 0 HB3 ALA A 104 13.753 9.965 -5.871 1.00 0.00 H new ATOM 1559 N GLY A 105 16.407 8.237 -4.927 1.00 0.00 N ATOM 1560 CA GLY A 105 17.478 8.439 -3.910 1.00 0.00 C ATOM 1561 C GLY A 105 18.348 9.630 -4.313 1.00 0.00 C ATOM 1562 O GLY A 105 17.928 10.751 -4.077 1.00 0.00 O ATOM 1563 OXT GLY A 105 19.418 9.402 -4.854 1.00 0.00 O ATOM 0 H GLY A 105 16.720 8.255 -5.897 1.00 0.00 H new ATOM 0 HA2 GLY A 105 17.035 8.614 -2.930 1.00 0.00 H new ATOM 0 HA3 GLY A 105 18.089 7.540 -3.827 1.00 0.00 H new TER 1567 GLY A 105 HETATM 1568 CU CU A 106 -8.596 -4.404 -1.247 1.00 0.00 CU