USER MOD reduce.3.24.130724 H: found=0, std=0, add=1017, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1018 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 100 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 102 THR OG1 : rot -88:sc= 1.17 USER MOD Set 1.3: A 111 ASN : amide:sc= 1.07 K(o=2.2,f=-4!) USER MOD Set 1.4: A 113 MET CE :methyl -139:sc= 0 (180deg=0) USER MOD Set 2.1: A 94 THR OG1 : rot -109:sc= 1.01 USER MOD Set 2.2: A 99 LYS NZ :NH3+ -172:sc= 1.87 (180deg=0.553) USER MOD Set 3.1: A 81 THR OG1 : rot -64:sc= 1.19 USER MOD Set 3.2: A 93 THR OG1 : rot 50:sc= 2.2 USER MOD Set 4.1: A 47 HIS : no HD1:sc= 0.402 K(o=0.82,f=-0.35) USER MOD Set 4.2: A 64 THR OG1 : rot -113:sc= 0.414 USER MOD Set 5.1: A 10 GLN : amide:sc= 0.951 K(o=2.1,f=-4.1) USER MOD Set 5.2: A 36 LYS NZ :NH3+ 180:sc= 1.11 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.516 USER MOD Single : A 4 SER OG : rot -103:sc= 0.319 USER MOD Single : A 6 LYS NZ :NH3+ 179:sc= 1.1 (180deg=1.07) USER MOD Single : A 7 TYR OH : rot 32:sc= 1.2 USER MOD Single : A 8 GLN : amide:sc= 0.821 K(o=0.82,f=-0.16) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 1.43 K(o=1.4,f=-4.8!) USER MOD Single : A 14 ASN : amide:sc= 0.453 X(o=0.45,f=0) USER MOD Single : A 19 MET CE :methyl 152:sc= -0.0115 (180deg=-0.331) USER MOD Single : A 20 LYS NZ :NH3+ -161:sc= 2.09 (180deg=1.28) USER MOD Single : A 30 GLN : amide:sc= 1.01 K(o=1,f=-0.6) USER MOD Single : A 31 LYS NZ :NH3+ 144:sc= 1.23 (180deg=1.08) USER MOD Single : A 33 LYS NZ :NH3+ 147:sc= 1.23 (180deg=-0.289!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 2.06 K(o=2.1,f=-3.7!) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ -138:sc= 1.26 (180deg=0.84) USER MOD Single : A 49 LYS NZ :NH3+ -146:sc= 1.04 (180deg=-0.506!) USER MOD Single : A 51 THR OG1 : rot 136:sc= 0.995 USER MOD Single : A 53 THR OG1 : rot -94:sc= 1.12 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 177:sc= 1.14 (180deg=1.06) USER MOD Single : A 60 GLN : amide:sc= 0.142 K(o=0.14,f=-1.3) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 69 CYS SG : rot 44:sc= 0.851 USER MOD Single : A 73 THR OG1 : rot -119:sc= 0.96 USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -143:sc= 1.3 USER MOD Single : A 78 LYS NZ :NH3+ 173:sc= 1.23 (180deg=1.12) USER MOD Single : A 80 LYS NZ :NH3+ -152:sc= 1.22 (180deg=-0.0191!) USER MOD Single : A 84 GLN : amide:sc= -0.453 X(o=-0.45,f=-0.029) USER MOD Single : A 89 ASN : amide:sc= 0.482 X(o=0.48,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 164:sc= 1.11 (180deg=0.96) USER MOD Single : A 96 LYS NZ :NH3+ 161:sc= 1.14 (180deg=0.251) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 ASN : amide:sc= 0.815 K(o=0.82,f=0) USER MOD Single : A 110 THR OG1 : rot 4:sc= 1.23 USER MOD Single : A 112 THR OG1 : rot 180:sc=-0.00747 USER MOD Single : A 114 THR OG1 : rot -62:sc= 0.866 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot 180:sc= -0.065 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 6.781 -11.025 -11.038 1.00 0.00 N ATOM 2 CA SER A 2 7.586 -11.436 -9.862 1.00 0.00 C ATOM 3 C SER A 2 7.560 -10.323 -8.780 1.00 0.00 C ATOM 4 O SER A 2 8.241 -9.301 -8.897 1.00 0.00 O ATOM 5 CB SER A 2 9.015 -11.765 -10.342 1.00 0.00 C ATOM 6 OG SER A 2 9.848 -12.175 -9.256 1.00 0.00 O ATOM 0 HA SER A 2 7.167 -12.328 -9.397 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.976 -12.556 -11.091 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.449 -10.889 -10.825 1.00 0.00 H new ATOM 0 HG SER A 2 10.746 -12.378 -9.591 1.00 0.00 H new ATOM 13 N PHE A 3 6.809 -10.554 -7.697 1.00 0.00 N ATOM 14 CA PHE A 3 6.631 -9.558 -6.598 1.00 0.00 C ATOM 15 C PHE A 3 7.665 -9.541 -5.431 1.00 0.00 C ATOM 16 O PHE A 3 7.733 -8.511 -4.755 1.00 0.00 O ATOM 17 CB PHE A 3 5.178 -9.678 -6.052 1.00 0.00 C ATOM 18 CG PHE A 3 4.138 -8.906 -6.872 1.00 0.00 C ATOM 19 CD1 PHE A 3 3.886 -7.558 -6.589 1.00 0.00 C ATOM 20 CD2 PHE A 3 3.427 -9.541 -7.895 1.00 0.00 C ATOM 21 CE1 PHE A 3 2.932 -6.858 -7.322 1.00 0.00 C ATOM 22 CE2 PHE A 3 2.456 -8.842 -8.603 1.00 0.00 C ATOM 23 CZ PHE A 3 2.209 -7.504 -8.317 1.00 0.00 C ATOM 0 H PHE A 3 6.304 -11.427 -7.544 1.00 0.00 H new ATOM 0 HA PHE A 3 6.829 -8.598 -7.074 1.00 0.00 H new ATOM 0 HB2 PHE A 3 4.896 -10.731 -6.026 1.00 0.00 H new ATOM 0 HB3 PHE A 3 5.156 -9.317 -5.024 1.00 0.00 H new ATOM 0 HD1 PHE A 3 4.432 -7.061 -5.801 1.00 0.00 H new ATOM 0 HD2 PHE A 3 3.632 -10.574 -8.135 1.00 0.00 H new ATOM 0 HE1 PHE A 3 2.754 -5.813 -7.117 1.00 0.00 H new ATOM 0 HE2 PHE A 3 1.892 -9.340 -9.378 1.00 0.00 H new ATOM 0 HZ PHE A 3 1.453 -6.966 -8.870 1.00 0.00 H new ATOM 33 N SER A 4 8.473 -10.588 -5.181 1.00 0.00 N ATOM 34 CA SER A 4 9.423 -10.620 -4.030 1.00 0.00 C ATOM 35 C SER A 4 10.533 -9.509 -4.043 1.00 0.00 C ATOM 36 O SER A 4 11.270 -9.367 -5.027 1.00 0.00 O ATOM 37 CB SER A 4 10.032 -12.038 -3.928 1.00 0.00 C ATOM 38 OG SER A 4 9.035 -13.006 -3.588 1.00 0.00 O ATOM 0 H SER A 4 8.494 -11.430 -5.757 1.00 0.00 H new ATOM 0 HA SER A 4 8.843 -10.385 -3.138 1.00 0.00 H new ATOM 0 HB2 SER A 4 10.495 -12.307 -4.877 1.00 0.00 H new ATOM 0 HB3 SER A 4 10.821 -12.045 -3.176 1.00 0.00 H new ATOM 0 HG SER A 4 9.119 -13.244 -2.641 1.00 0.00 H new ATOM 44 N GLY A 5 10.637 -8.724 -2.955 1.00 0.00 N ATOM 45 CA GLY A 5 11.631 -7.624 -2.842 1.00 0.00 C ATOM 46 C GLY A 5 11.348 -6.609 -1.707 1.00 0.00 C ATOM 47 O GLY A 5 10.252 -6.538 -1.145 1.00 0.00 O ATOM 0 H GLY A 5 10.043 -8.827 -2.132 1.00 0.00 H new ATOM 0 HA2 GLY A 5 12.618 -8.059 -2.684 1.00 0.00 H new ATOM 0 HA3 GLY A 5 11.668 -7.087 -3.790 1.00 0.00 H new ATOM 51 N LYS A 6 12.370 -5.805 -1.390 1.00 0.00 N ATOM 52 CA LYS A 6 12.294 -4.705 -0.384 1.00 0.00 C ATOM 53 C LYS A 6 12.279 -3.357 -1.172 1.00 0.00 C ATOM 54 O LYS A 6 13.315 -2.738 -1.414 1.00 0.00 O ATOM 55 CB LYS A 6 13.519 -4.814 0.562 1.00 0.00 C ATOM 56 CG LYS A 6 13.527 -6.011 1.543 1.00 0.00 C ATOM 57 CD LYS A 6 14.854 -6.093 2.331 1.00 0.00 C ATOM 58 CE LYS A 6 14.995 -7.320 3.254 1.00 0.00 C ATOM 59 NZ LYS A 6 14.137 -7.208 4.466 1.00 0.00 N ATOM 0 H LYS A 6 13.290 -5.890 -1.822 1.00 0.00 H new ATOM 0 HA LYS A 6 11.396 -4.766 0.231 1.00 0.00 H new ATOM 0 HB2 LYS A 6 14.419 -4.868 -0.050 1.00 0.00 H new ATOM 0 HB3 LYS A 6 13.584 -3.895 1.144 1.00 0.00 H new ATOM 0 HG2 LYS A 6 12.695 -5.916 2.240 1.00 0.00 H new ATOM 0 HG3 LYS A 6 13.375 -6.937 0.989 1.00 0.00 H new ATOM 0 HD2 LYS A 6 15.680 -6.096 1.620 1.00 0.00 H new ATOM 0 HD3 LYS A 6 14.956 -5.191 2.934 1.00 0.00 H new ATOM 0 HE2 LYS A 6 14.727 -8.221 2.702 1.00 0.00 H new ATOM 0 HE3 LYS A 6 16.037 -7.429 3.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.249 -8.061 5.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 14.420 -6.372 5.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.142 -7.113 4.179 1.00 0.00 H new ATOM 73 N TYR A 7 11.095 -2.887 -1.573 1.00 0.00 N ATOM 74 CA TYR A 7 10.950 -1.742 -2.515 1.00 0.00 C ATOM 75 C TYR A 7 11.074 -0.356 -1.812 1.00 0.00 C ATOM 76 O TYR A 7 10.179 0.027 -1.055 1.00 0.00 O ATOM 77 CB TYR A 7 9.582 -1.845 -3.268 1.00 0.00 C ATOM 78 CG TYR A 7 9.264 -3.114 -4.091 1.00 0.00 C ATOM 79 CD1 TYR A 7 8.864 -4.290 -3.443 1.00 0.00 C ATOM 80 CD2 TYR A 7 9.294 -3.088 -5.490 1.00 0.00 C ATOM 81 CE1 TYR A 7 8.549 -5.428 -4.174 1.00 0.00 C ATOM 82 CE2 TYR A 7 8.957 -4.225 -6.224 1.00 0.00 C ATOM 83 CZ TYR A 7 8.599 -5.395 -5.563 1.00 0.00 C ATOM 84 OH TYR A 7 8.319 -6.525 -6.275 1.00 0.00 O ATOM 0 H TYR A 7 10.205 -3.278 -1.263 1.00 0.00 H new ATOM 0 HA TYR A 7 11.774 -1.807 -3.226 1.00 0.00 H new ATOM 0 HB2 TYR A 7 8.791 -1.729 -2.527 1.00 0.00 H new ATOM 0 HB3 TYR A 7 9.515 -0.992 -3.943 1.00 0.00 H new ATOM 0 HD1 TYR A 7 8.800 -4.312 -2.365 1.00 0.00 H new ATOM 0 HD2 TYR A 7 9.580 -2.182 -6.004 1.00 0.00 H new ATOM 0 HE1 TYR A 7 8.266 -6.337 -3.664 1.00 0.00 H new ATOM 0 HE2 TYR A 7 8.974 -4.197 -7.304 1.00 0.00 H new ATOM 0 HH TYR A 7 7.656 -7.061 -5.791 1.00 0.00 H new ATOM 94 N GLN A 8 12.153 0.416 -2.052 1.00 0.00 N ATOM 95 CA GLN A 8 12.290 1.771 -1.439 1.00 0.00 C ATOM 96 C GLN A 8 11.471 2.869 -2.198 1.00 0.00 C ATOM 97 O GLN A 8 11.520 2.981 -3.429 1.00 0.00 O ATOM 98 CB GLN A 8 13.777 2.162 -1.257 1.00 0.00 C ATOM 99 CG GLN A 8 13.967 3.325 -0.244 1.00 0.00 C ATOM 100 CD GLN A 8 15.393 3.822 -0.024 1.00 0.00 C ATOM 101 OE1 GLN A 8 16.369 3.412 -0.643 1.00 0.00 O ATOM 102 NE2 GLN A 8 15.543 4.761 0.876 1.00 0.00 N ATOM 0 H GLN A 8 12.931 0.141 -2.651 1.00 0.00 H new ATOM 0 HA GLN A 8 11.848 1.712 -0.444 1.00 0.00 H new ATOM 0 HB2 GLN A 8 14.339 1.292 -0.916 1.00 0.00 H new ATOM 0 HB3 GLN A 8 14.194 2.453 -2.221 1.00 0.00 H new ATOM 0 HG2 GLN A 8 13.362 4.168 -0.577 1.00 0.00 H new ATOM 0 HG3 GLN A 8 13.567 3.006 0.718 1.00 0.00 H new ATOM 0 HE21 GLN A 8 14.734 5.105 1.393 1.00 0.00 H new ATOM 0 HE22 GLN A 8 16.469 5.148 1.060 1.00 0.00 H new ATOM 111 N LEU A 9 10.757 3.708 -1.427 1.00 0.00 N ATOM 112 CA LEU A 9 9.895 4.792 -1.962 1.00 0.00 C ATOM 113 C LEU A 9 10.689 5.955 -2.632 1.00 0.00 C ATOM 114 O LEU A 9 11.660 6.480 -2.082 1.00 0.00 O ATOM 115 CB LEU A 9 8.973 5.264 -0.801 1.00 0.00 C ATOM 116 CG LEU A 9 7.947 6.391 -1.108 1.00 0.00 C ATOM 117 CD1 LEU A 9 6.924 6.000 -2.189 1.00 0.00 C ATOM 118 CD2 LEU A 9 7.208 6.783 0.179 1.00 0.00 C ATOM 0 H LEU A 9 10.758 3.658 -0.408 1.00 0.00 H new ATOM 0 HA LEU A 9 9.292 4.405 -2.783 1.00 0.00 H new ATOM 0 HB2 LEU A 9 8.421 4.397 -0.437 1.00 0.00 H new ATOM 0 HB3 LEU A 9 9.609 5.603 0.017 1.00 0.00 H new ATOM 0 HG LEU A 9 8.515 7.236 -1.497 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.237 6.829 -2.357 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.446 5.768 -3.117 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.363 5.125 -1.860 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.490 7.573 -0.040 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.682 5.914 0.576 1.00 0.00 H new ATOM 0 HD23 LEU A 9 7.927 7.140 0.917 1.00 0.00 H new ATOM 130 N GLN A 10 10.233 6.351 -3.826 1.00 0.00 N ATOM 131 CA GLN A 10 10.847 7.444 -4.626 1.00 0.00 C ATOM 132 C GLN A 10 9.895 8.672 -4.717 1.00 0.00 C ATOM 133 O GLN A 10 10.251 9.754 -4.244 1.00 0.00 O ATOM 134 CB GLN A 10 11.250 6.876 -6.014 1.00 0.00 C ATOM 135 CG GLN A 10 12.332 5.771 -5.994 1.00 0.00 C ATOM 136 CD GLN A 10 13.782 6.242 -5.791 1.00 0.00 C ATOM 137 OE1 GLN A 10 14.085 7.323 -5.285 1.00 0.00 O ATOM 138 NE2 GLN A 10 14.731 5.417 -6.163 1.00 0.00 N ATOM 0 H GLN A 10 9.423 5.926 -4.277 1.00 0.00 H new ATOM 0 HA GLN A 10 11.749 7.812 -4.137 1.00 0.00 H new ATOM 0 HB2 GLN A 10 10.358 6.477 -6.497 1.00 0.00 H new ATOM 0 HB3 GLN A 10 11.607 7.698 -6.634 1.00 0.00 H new ATOM 0 HG2 GLN A 10 12.087 5.066 -5.200 1.00 0.00 H new ATOM 0 HG3 GLN A 10 12.279 5.223 -6.935 1.00 0.00 H new ATOM 0 HE21 GLN A 10 14.491 4.519 -6.583 1.00 0.00 H new ATOM 0 HE22 GLN A 10 15.710 5.673 -6.032 1.00 0.00 H new ATOM 147 N SER A 11 8.711 8.510 -5.335 1.00 0.00 N ATOM 148 CA SER A 11 7.691 9.590 -5.451 1.00 0.00 C ATOM 149 C SER A 11 6.352 9.192 -4.748 1.00 0.00 C ATOM 150 O SER A 11 5.884 8.052 -4.840 1.00 0.00 O ATOM 151 CB SER A 11 7.520 9.916 -6.952 1.00 0.00 C ATOM 152 OG SER A 11 6.600 10.990 -7.155 1.00 0.00 O ATOM 0 H SER A 11 8.427 7.632 -5.770 1.00 0.00 H new ATOM 0 HA SER A 11 8.021 10.489 -4.931 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.487 10.179 -7.380 1.00 0.00 H new ATOM 0 HB3 SER A 11 7.168 9.030 -7.480 1.00 0.00 H new ATOM 0 HG SER A 11 6.516 11.172 -8.114 1.00 0.00 H new ATOM 158 N GLN A 12 5.740 10.150 -4.031 1.00 0.00 N ATOM 159 CA GLN A 12 4.444 9.955 -3.321 1.00 0.00 C ATOM 160 C GLN A 12 3.493 11.115 -3.759 1.00 0.00 C ATOM 161 O GLN A 12 3.753 12.284 -3.457 1.00 0.00 O ATOM 162 CB GLN A 12 4.750 9.890 -1.799 1.00 0.00 C ATOM 163 CG GLN A 12 3.597 9.343 -0.922 1.00 0.00 C ATOM 164 CD GLN A 12 3.945 8.854 0.495 1.00 0.00 C ATOM 165 OE1 GLN A 12 3.534 7.777 0.921 1.00 0.00 O ATOM 166 NE2 GLN A 12 4.655 9.612 1.295 1.00 0.00 N ATOM 0 H GLN A 12 6.124 11.089 -3.921 1.00 0.00 H new ATOM 0 HA GLN A 12 3.932 9.026 -3.570 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.630 9.265 -1.647 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.007 10.891 -1.452 1.00 0.00 H new ATOM 0 HG2 GLN A 12 2.845 10.126 -0.831 1.00 0.00 H new ATOM 0 HG3 GLN A 12 3.132 8.515 -1.458 1.00 0.00 H new ATOM 0 HE21 GLN A 12 5.008 10.511 0.966 1.00 0.00 H new ATOM 0 HE22 GLN A 12 4.854 9.303 2.246 1.00 0.00 H new ATOM 175 N GLU A 13 2.405 10.790 -4.480 1.00 0.00 N ATOM 176 CA GLU A 13 1.514 11.802 -5.115 1.00 0.00 C ATOM 177 C GLU A 13 0.463 12.428 -4.133 1.00 0.00 C ATOM 178 O GLU A 13 0.821 13.292 -3.326 1.00 0.00 O ATOM 179 CB GLU A 13 0.980 11.087 -6.394 1.00 0.00 C ATOM 180 CG GLU A 13 0.231 11.959 -7.431 1.00 0.00 C ATOM 181 CD GLU A 13 -0.477 11.123 -8.488 1.00 0.00 C ATOM 182 OE1 GLU A 13 0.184 10.655 -9.439 1.00 0.00 O ATOM 183 OE2 GLU A 13 -1.698 10.906 -8.348 1.00 0.00 O ATOM 0 H GLU A 13 2.112 9.827 -4.644 1.00 0.00 H new ATOM 0 HA GLU A 13 2.029 12.719 -5.403 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.825 10.616 -6.896 1.00 0.00 H new ATOM 0 HB3 GLU A 13 0.310 10.287 -6.079 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -0.499 12.584 -6.917 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.939 12.630 -7.917 1.00 0.00 H new ATOM 190 N ASN A 14 -0.816 12.005 -4.156 1.00 0.00 N ATOM 191 CA ASN A 14 -1.892 12.621 -3.323 1.00 0.00 C ATOM 192 C ASN A 14 -1.945 12.115 -1.841 1.00 0.00 C ATOM 193 O ASN A 14 -2.944 11.554 -1.385 1.00 0.00 O ATOM 194 CB ASN A 14 -3.240 12.445 -4.077 1.00 0.00 C ATOM 195 CG ASN A 14 -3.474 13.363 -5.279 1.00 0.00 C ATOM 196 OD1 ASN A 14 -3.674 14.564 -5.132 1.00 0.00 O ATOM 197 ND2 ASN A 14 -3.486 12.851 -6.486 1.00 0.00 N ATOM 0 H ASN A 14 -1.140 11.236 -4.742 1.00 0.00 H new ATOM 0 HA ASN A 14 -1.666 13.681 -3.202 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -3.308 11.412 -4.418 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -4.052 12.600 -3.366 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -3.661 13.450 -7.293 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -3.321 11.853 -6.618 1.00 0.00 H new ATOM 204 N PHE A 15 -0.874 12.367 -1.070 1.00 0.00 N ATOM 205 CA PHE A 15 -0.830 12.048 0.390 1.00 0.00 C ATOM 206 C PHE A 15 -1.658 13.080 1.237 1.00 0.00 C ATOM 207 O PHE A 15 -2.596 12.683 1.933 1.00 0.00 O ATOM 208 CB PHE A 15 0.662 11.903 0.795 1.00 0.00 C ATOM 209 CG PHE A 15 0.916 11.248 2.162 1.00 0.00 C ATOM 210 CD1 PHE A 15 0.940 12.026 3.321 1.00 0.00 C ATOM 211 CD2 PHE A 15 1.204 9.883 2.254 1.00 0.00 C ATOM 212 CE1 PHE A 15 1.265 11.450 4.546 1.00 0.00 C ATOM 213 CE2 PHE A 15 1.549 9.313 3.476 1.00 0.00 C ATOM 214 CZ PHE A 15 1.575 10.098 4.623 1.00 0.00 C ATOM 0 H PHE A 15 -0.017 12.792 -1.424 1.00 0.00 H new ATOM 0 HA PHE A 15 -1.323 11.100 0.605 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.173 11.317 0.031 1.00 0.00 H new ATOM 0 HB3 PHE A 15 1.118 12.893 0.796 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.706 13.079 3.267 1.00 0.00 H new ATOM 0 HD2 PHE A 15 1.158 9.265 1.369 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.276 12.056 5.440 1.00 0.00 H new ATOM 0 HE2 PHE A 15 1.796 8.263 3.533 1.00 0.00 H new ATOM 0 HZ PHE A 15 1.836 9.657 5.574 1.00 0.00 H new ATOM 224 N GLU A 16 -1.342 14.391 1.142 1.00 0.00 N ATOM 225 CA GLU A 16 -2.112 15.496 1.794 1.00 0.00 C ATOM 226 C GLU A 16 -3.658 15.501 1.529 1.00 0.00 C ATOM 227 O GLU A 16 -4.448 15.565 2.478 1.00 0.00 O ATOM 228 CB GLU A 16 -1.438 16.841 1.376 1.00 0.00 C ATOM 229 CG GLU A 16 -0.303 17.344 2.307 1.00 0.00 C ATOM 230 CD GLU A 16 -0.817 18.081 3.530 1.00 0.00 C ATOM 231 OE1 GLU A 16 -1.248 19.246 3.396 1.00 0.00 O ATOM 232 OE2 GLU A 16 -0.874 17.496 4.629 1.00 0.00 O ATOM 0 H GLU A 16 -0.540 14.724 0.608 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.063 15.340 2.872 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.034 16.726 0.370 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.208 17.611 1.324 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.298 16.494 2.629 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.356 18.004 1.743 1.00 0.00 H new ATOM 239 N ALA A 17 -4.082 15.413 0.253 1.00 0.00 N ATOM 240 CA ALA A 17 -5.515 15.302 -0.126 1.00 0.00 C ATOM 241 C ALA A 17 -6.249 14.003 0.359 1.00 0.00 C ATOM 242 O ALA A 17 -7.399 14.090 0.793 1.00 0.00 O ATOM 243 CB ALA A 17 -5.571 15.484 -1.655 1.00 0.00 C ATOM 0 H ALA A 17 -3.448 15.416 -0.546 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.076 16.077 0.396 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.605 15.412 -1.992 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -5.170 16.463 -1.920 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.977 14.707 -2.136 1.00 0.00 H new ATOM 249 N PHE A 18 -5.600 12.821 0.311 1.00 0.00 N ATOM 250 CA PHE A 18 -6.184 11.544 0.820 1.00 0.00 C ATOM 251 C PHE A 18 -6.294 11.477 2.370 1.00 0.00 C ATOM 252 O PHE A 18 -7.392 11.239 2.875 1.00 0.00 O ATOM 253 CB PHE A 18 -5.375 10.377 0.188 1.00 0.00 C ATOM 254 CG PHE A 18 -5.915 8.951 0.401 1.00 0.00 C ATOM 255 CD1 PHE A 18 -5.551 8.235 1.547 1.00 0.00 C ATOM 256 CD2 PHE A 18 -6.692 8.322 -0.579 1.00 0.00 C ATOM 257 CE1 PHE A 18 -5.942 6.909 1.704 1.00 0.00 C ATOM 258 CE2 PHE A 18 -7.082 6.994 -0.421 1.00 0.00 C ATOM 259 CZ PHE A 18 -6.703 6.290 0.718 1.00 0.00 C ATOM 0 H PHE A 18 -4.663 12.716 -0.077 1.00 0.00 H new ATOM 0 HA PHE A 18 -7.227 11.468 0.511 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -5.306 10.556 -0.885 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -4.360 10.417 0.583 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -4.962 8.715 2.315 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -6.990 8.869 -1.461 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.655 6.362 2.590 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -7.678 6.511 -1.182 1.00 0.00 H new ATOM 0 HZ PHE A 18 -7.001 5.259 0.837 1.00 0.00 H new ATOM 269 N MET A 19 -5.196 11.694 3.118 1.00 0.00 N ATOM 270 CA MET A 19 -5.206 11.664 4.607 1.00 0.00 C ATOM 271 C MET A 19 -6.157 12.721 5.269 1.00 0.00 C ATOM 272 O MET A 19 -6.864 12.367 6.217 1.00 0.00 O ATOM 273 CB MET A 19 -3.751 11.692 5.126 1.00 0.00 C ATOM 274 CG MET A 19 -2.910 10.415 4.899 1.00 0.00 C ATOM 275 SD MET A 19 -2.706 10.057 3.141 1.00 0.00 S ATOM 276 CE MET A 19 -2.277 8.313 3.173 1.00 0.00 C ATOM 0 H MET A 19 -4.279 11.894 2.718 1.00 0.00 H new ATOM 0 HA MET A 19 -5.657 10.724 4.926 1.00 0.00 H new ATOM 0 HB2 MET A 19 -3.236 12.528 4.652 1.00 0.00 H new ATOM 0 HB3 MET A 19 -3.775 11.898 6.196 1.00 0.00 H new ATOM 0 HG2 MET A 19 -1.931 10.536 5.362 1.00 0.00 H new ATOM 0 HG3 MET A 19 -3.392 9.569 5.390 1.00 0.00 H new ATOM 0 HE1 MET A 19 -2.597 7.842 2.244 1.00 0.00 H new ATOM 0 HE2 MET A 19 -1.198 8.206 3.281 1.00 0.00 H new ATOM 0 HE3 MET A 19 -2.775 7.831 4.014 1.00 0.00 H new ATOM 286 N LYS A 20 -6.232 13.976 4.768 1.00 0.00 N ATOM 287 CA LYS A 20 -7.296 14.936 5.192 1.00 0.00 C ATOM 288 C LYS A 20 -8.745 14.479 4.781 1.00 0.00 C ATOM 289 O LYS A 20 -9.642 14.579 5.623 1.00 0.00 O ATOM 290 CB LYS A 20 -6.964 16.380 4.724 1.00 0.00 C ATOM 291 CG LYS A 20 -5.983 17.143 5.651 1.00 0.00 C ATOM 292 CD LYS A 20 -5.804 18.633 5.272 1.00 0.00 C ATOM 293 CE LYS A 20 -4.669 18.929 4.271 1.00 0.00 C ATOM 294 NZ LYS A 20 -3.369 19.041 4.982 1.00 0.00 N ATOM 0 H LYS A 20 -5.581 14.351 4.078 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.302 14.940 6.282 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.538 16.335 3.722 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.892 16.948 4.651 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -6.342 17.079 6.678 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.011 16.650 5.622 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.741 18.998 4.851 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.620 19.203 6.183 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.616 18.135 3.526 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.879 19.855 3.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.686 19.544 4.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.503 19.567 5.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.007 18.090 5.195 1.00 0.00 H new ATOM 308 N ALA A 21 -8.995 13.958 3.554 1.00 0.00 N ATOM 309 CA ALA A 21 -10.319 13.378 3.179 1.00 0.00 C ATOM 310 C ALA A 21 -10.805 12.158 4.039 1.00 0.00 C ATOM 311 O ALA A 21 -11.995 12.083 4.352 1.00 0.00 O ATOM 312 CB ALA A 21 -10.269 13.038 1.678 1.00 0.00 C ATOM 0 H ALA A 21 -8.302 13.925 2.806 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.074 14.133 3.397 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.223 12.611 1.370 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.076 13.945 1.106 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.473 12.317 1.495 1.00 0.00 H new ATOM 318 N ILE A 22 -9.913 11.225 4.438 1.00 0.00 N ATOM 319 CA ILE A 22 -10.269 10.090 5.357 1.00 0.00 C ATOM 320 C ILE A 22 -10.271 10.436 6.898 1.00 0.00 C ATOM 321 O ILE A 22 -10.645 9.576 7.701 1.00 0.00 O ATOM 322 CB ILE A 22 -9.459 8.781 5.025 1.00 0.00 C ATOM 323 CG1 ILE A 22 -7.929 8.870 5.290 1.00 0.00 C ATOM 324 CG2 ILE A 22 -9.737 8.272 3.588 1.00 0.00 C ATOM 325 CD1 ILE A 22 -7.196 7.521 5.385 1.00 0.00 C ATOM 0 H ILE A 22 -8.936 11.224 4.144 1.00 0.00 H new ATOM 0 HA ILE A 22 -11.319 9.890 5.142 1.00 0.00 H new ATOM 0 HB ILE A 22 -9.838 8.049 5.739 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.473 9.457 4.493 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -7.770 9.417 6.219 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -9.157 7.368 3.404 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -10.799 8.050 3.479 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -9.451 9.039 2.869 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.136 7.695 5.571 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.617 6.935 6.202 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.315 6.975 4.449 1.00 0.00 H new ATOM 337 N GLY A 23 -9.863 11.649 7.323 1.00 0.00 N ATOM 338 CA GLY A 23 -9.887 12.079 8.747 1.00 0.00 C ATOM 339 C GLY A 23 -8.617 11.873 9.599 1.00 0.00 C ATOM 340 O GLY A 23 -8.733 11.385 10.725 1.00 0.00 O ATOM 0 H GLY A 23 -9.505 12.365 6.690 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.132 13.141 8.769 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.705 11.553 9.239 1.00 0.00 H new ATOM 344 N LEU A 24 -7.433 12.279 9.108 1.00 0.00 N ATOM 345 CA LEU A 24 -6.153 12.171 9.870 1.00 0.00 C ATOM 346 C LEU A 24 -5.526 13.564 10.271 1.00 0.00 C ATOM 347 O LEU A 24 -5.820 14.577 9.624 1.00 0.00 O ATOM 348 CB LEU A 24 -5.161 11.251 9.091 1.00 0.00 C ATOM 349 CG LEU A 24 -5.054 9.809 9.656 1.00 0.00 C ATOM 350 CD1 LEU A 24 -6.213 8.915 9.189 1.00 0.00 C ATOM 351 CD2 LEU A 24 -3.710 9.177 9.283 1.00 0.00 C ATOM 0 H LEU A 24 -7.325 12.690 8.181 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.376 11.707 10.831 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.474 11.198 8.048 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.172 11.709 9.104 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.119 9.887 10.741 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.095 7.916 9.610 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.159 9.340 9.525 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.209 8.853 8.101 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.658 8.167 9.690 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.616 9.137 8.198 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.899 9.777 9.696 1.00 0.00 H new ATOM 363 N PRO A 25 -4.637 13.665 11.312 1.00 0.00 N ATOM 364 CA PRO A 25 -4.046 14.959 11.749 1.00 0.00 C ATOM 365 C PRO A 25 -2.893 15.507 10.868 1.00 0.00 C ATOM 366 O PRO A 25 -1.947 14.791 10.528 1.00 0.00 O ATOM 367 CB PRO A 25 -3.516 14.644 13.159 1.00 0.00 C ATOM 368 CG PRO A 25 -3.311 13.129 13.208 1.00 0.00 C ATOM 369 CD PRO A 25 -4.212 12.518 12.139 1.00 0.00 C ATOM 0 HA PRO A 25 -4.799 15.745 11.689 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -2.581 15.170 13.350 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -4.224 14.966 13.922 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -2.267 12.876 13.022 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.564 12.738 14.194 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -3.677 11.777 11.545 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -5.068 12.011 12.584 1.00 0.00 H new ATOM 377 N GLU A 26 -2.923 16.821 10.610 1.00 0.00 N ATOM 378 CA GLU A 26 -1.880 17.528 9.822 1.00 0.00 C ATOM 379 C GLU A 26 -0.403 17.405 10.335 1.00 0.00 C ATOM 380 O GLU A 26 0.511 17.302 9.513 1.00 0.00 O ATOM 381 CB GLU A 26 -2.365 18.980 9.633 1.00 0.00 C ATOM 382 CG GLU A 26 -3.632 19.154 8.748 1.00 0.00 C ATOM 383 CD GLU A 26 -3.811 20.535 8.146 1.00 0.00 C ATOM 384 OE1 GLU A 26 -4.392 21.415 8.808 1.00 0.00 O ATOM 385 OE2 GLU A 26 -3.408 20.723 6.977 1.00 0.00 O ATOM 0 H GLU A 26 -3.669 17.434 10.939 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.783 17.022 8.862 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.568 19.407 10.615 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.554 19.561 9.194 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.595 18.424 7.939 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.511 18.920 9.349 1.00 0.00 H new ATOM 392 N GLU A 27 -0.184 17.368 11.664 1.00 0.00 N ATOM 393 CA GLU A 27 1.135 17.057 12.295 1.00 0.00 C ATOM 394 C GLU A 27 1.729 15.661 11.882 1.00 0.00 C ATOM 395 O GLU A 27 2.870 15.604 11.412 1.00 0.00 O ATOM 396 CB GLU A 27 0.926 17.272 13.824 1.00 0.00 C ATOM 397 CG GLU A 27 2.121 16.971 14.772 1.00 0.00 C ATOM 398 CD GLU A 27 2.216 15.547 15.314 1.00 0.00 C ATOM 399 OE1 GLU A 27 1.205 15.018 15.818 1.00 0.00 O ATOM 400 OE2 GLU A 27 3.318 14.962 15.272 1.00 0.00 O ATOM 0 H GLU A 27 -0.919 17.554 12.346 1.00 0.00 H new ATOM 0 HA GLU A 27 1.919 17.722 11.931 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.630 18.310 13.978 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.086 16.651 14.137 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.045 17.196 14.239 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.066 17.656 15.618 1.00 0.00 H new ATOM 407 N LEU A 28 0.962 14.554 11.998 1.00 0.00 N ATOM 408 CA LEU A 28 1.407 13.213 11.506 1.00 0.00 C ATOM 409 C LEU A 28 1.498 13.110 9.935 1.00 0.00 C ATOM 410 O LEU A 28 2.417 12.474 9.412 1.00 0.00 O ATOM 411 CB LEU A 28 0.543 12.070 12.115 1.00 0.00 C ATOM 412 CG LEU A 28 0.325 12.013 13.656 1.00 0.00 C ATOM 413 CD1 LEU A 28 -0.530 10.789 14.031 1.00 0.00 C ATOM 414 CD2 LEU A 28 1.613 11.983 14.494 1.00 0.00 C ATOM 0 H LEU A 28 0.035 14.553 12.424 1.00 0.00 H new ATOM 0 HA LEU A 28 2.430 13.088 11.861 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.440 12.119 11.647 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.993 11.124 11.813 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.182 12.947 13.897 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.674 10.763 15.111 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.499 10.857 13.537 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.023 9.879 13.710 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.357 11.944 15.553 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.199 11.103 14.229 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.198 12.881 14.295 1.00 0.00 H new ATOM 426 N ILE A 29 0.581 13.758 9.183 1.00 0.00 N ATOM 427 CA ILE A 29 0.622 13.847 7.685 1.00 0.00 C ATOM 428 C ILE A 29 1.918 14.584 7.187 1.00 0.00 C ATOM 429 O ILE A 29 2.629 14.055 6.329 1.00 0.00 O ATOM 430 CB ILE A 29 -0.705 14.458 7.098 1.00 0.00 C ATOM 431 CG1 ILE A 29 -1.986 13.687 7.526 1.00 0.00 C ATOM 432 CG2 ILE A 29 -0.700 14.530 5.548 1.00 0.00 C ATOM 433 CD1 ILE A 29 -3.316 14.433 7.297 1.00 0.00 C ATOM 0 H ILE A 29 -0.219 14.242 9.591 1.00 0.00 H new ATOM 0 HA ILE A 29 0.680 12.832 7.293 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.732 15.463 7.519 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.020 12.743 6.982 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.905 13.441 8.585 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.640 14.959 5.201 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.129 15.154 5.215 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.586 13.527 5.138 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.145 13.808 7.629 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -3.313 15.364 7.864 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.431 14.655 6.236 1.00 0.00 H new ATOM 445 N GLN A 30 2.242 15.769 7.746 1.00 0.00 N ATOM 446 CA GLN A 30 3.537 16.474 7.492 1.00 0.00 C ATOM 447 C GLN A 30 4.836 15.661 7.826 1.00 0.00 C ATOM 448 O GLN A 30 5.874 15.907 7.207 1.00 0.00 O ATOM 449 CB GLN A 30 3.491 17.863 8.200 1.00 0.00 C ATOM 450 CG GLN A 30 2.966 19.072 7.370 1.00 0.00 C ATOM 451 CD GLN A 30 1.858 18.852 6.330 1.00 0.00 C ATOM 452 OE1 GLN A 30 2.108 18.866 5.129 1.00 0.00 O ATOM 453 NE2 GLN A 30 0.636 18.614 6.738 1.00 0.00 N ATOM 0 H GLN A 30 1.624 16.270 8.384 1.00 0.00 H new ATOM 0 HA GLN A 30 3.623 16.602 6.413 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.867 17.768 9.089 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.498 18.101 8.542 1.00 0.00 H new ATOM 0 HG2 GLN A 30 2.607 19.821 8.076 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.820 19.507 6.850 1.00 0.00 H new ATOM 0 HE21 GLN A 30 0.425 18.602 7.736 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -0.104 18.441 6.058 1.00 0.00 H new ATOM 462 N LYS A 31 4.780 14.695 8.762 1.00 0.00 N ATOM 463 CA LYS A 31 5.901 13.757 9.029 1.00 0.00 C ATOM 464 C LYS A 31 6.004 12.640 7.937 1.00 0.00 C ATOM 465 O LYS A 31 7.046 12.537 7.286 1.00 0.00 O ATOM 466 CB LYS A 31 5.717 13.188 10.459 1.00 0.00 C ATOM 467 CG LYS A 31 6.115 14.150 11.600 1.00 0.00 C ATOM 468 CD LYS A 31 5.694 13.572 12.959 1.00 0.00 C ATOM 469 CE LYS A 31 6.281 14.335 14.155 1.00 0.00 C ATOM 470 NZ LYS A 31 5.648 13.780 15.374 1.00 0.00 N ATOM 0 H LYS A 31 3.964 14.538 9.354 1.00 0.00 H new ATOM 0 HA LYS A 31 6.852 14.286 8.976 1.00 0.00 H new ATOM 0 HB2 LYS A 31 4.672 12.906 10.590 1.00 0.00 H new ATOM 0 HB3 LYS A 31 6.308 12.276 10.550 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.192 14.315 11.586 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.642 15.120 11.448 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.606 13.583 13.029 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.006 12.529 13.014 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.364 14.217 14.194 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.080 15.403 14.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.342 13.763 16.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.840 14.375 15.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.317 12.813 15.184 1.00 0.00 H new ATOM 484 N GLY A 32 4.951 11.824 7.713 1.00 0.00 N ATOM 485 CA GLY A 32 4.981 10.749 6.680 1.00 0.00 C ATOM 486 C GLY A 32 4.927 11.095 5.171 1.00 0.00 C ATOM 487 O GLY A 32 5.113 10.181 4.363 1.00 0.00 O ATOM 0 H GLY A 32 4.072 11.883 8.227 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.892 10.173 6.844 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.142 10.084 6.886 1.00 0.00 H new ATOM 491 N LYS A 33 4.687 12.356 4.770 1.00 0.00 N ATOM 492 CA LYS A 33 4.634 12.754 3.331 1.00 0.00 C ATOM 493 C LYS A 33 5.963 12.679 2.496 1.00 0.00 C ATOM 494 O LYS A 33 5.914 12.258 1.336 1.00 0.00 O ATOM 495 CB LYS A 33 3.940 14.140 3.209 1.00 0.00 C ATOM 496 CG LYS A 33 4.676 15.349 3.841 1.00 0.00 C ATOM 497 CD LYS A 33 4.029 16.716 3.557 1.00 0.00 C ATOM 498 CE LYS A 33 4.299 17.283 2.148 1.00 0.00 C ATOM 499 NZ LYS A 33 5.685 17.820 2.015 1.00 0.00 N ATOM 0 H LYS A 33 4.525 13.128 5.417 1.00 0.00 H new ATOM 0 HA LYS A 33 4.045 11.972 2.852 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.787 14.351 2.151 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.953 14.067 3.666 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.726 15.203 4.920 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.702 15.365 3.474 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.952 16.628 3.697 1.00 0.00 H new ATOM 0 HD3 LYS A 33 4.389 17.432 4.296 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.141 16.500 1.406 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.582 18.075 1.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.023 17.671 1.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.685 18.838 2.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.314 17.326 2.680 1.00 0.00 H new ATOM 513 N ASP A 34 7.114 13.077 3.067 1.00 0.00 N ATOM 514 CA ASP A 34 8.423 13.138 2.337 1.00 0.00 C ATOM 515 C ASP A 34 9.481 12.024 2.697 1.00 0.00 C ATOM 516 O ASP A 34 10.564 12.000 2.101 1.00 0.00 O ATOM 517 CB ASP A 34 9.028 14.557 2.562 1.00 0.00 C ATOM 518 CG ASP A 34 8.189 15.760 2.115 1.00 0.00 C ATOM 519 OD1 ASP A 34 7.873 15.899 0.916 1.00 0.00 O ATOM 520 OD2 ASP A 34 7.793 16.571 2.980 1.00 0.00 O ATOM 0 H ASP A 34 7.178 13.367 4.043 1.00 0.00 H new ATOM 0 HA ASP A 34 8.196 12.939 1.290 1.00 0.00 H new ATOM 0 HB2 ASP A 34 9.238 14.669 3.626 1.00 0.00 H new ATOM 0 HB3 ASP A 34 9.985 14.602 2.042 1.00 0.00 H new ATOM 525 N ILE A 35 9.202 11.089 3.630 1.00 0.00 N ATOM 526 CA ILE A 35 10.173 10.040 4.074 1.00 0.00 C ATOM 527 C ILE A 35 10.295 8.903 3.000 1.00 0.00 C ATOM 528 O ILE A 35 9.340 8.154 2.766 1.00 0.00 O ATOM 529 CB ILE A 35 9.782 9.503 5.508 1.00 0.00 C ATOM 530 CG1 ILE A 35 9.831 10.602 6.618 1.00 0.00 C ATOM 531 CG2 ILE A 35 10.659 8.304 5.974 1.00 0.00 C ATOM 532 CD1 ILE A 35 9.109 10.257 7.935 1.00 0.00 C ATOM 0 H ILE A 35 8.300 11.032 4.103 1.00 0.00 H new ATOM 0 HA ILE A 35 11.166 10.481 4.164 1.00 0.00 H new ATOM 0 HB ILE A 35 8.752 9.169 5.383 1.00 0.00 H new ATOM 0 HG12 ILE A 35 10.875 10.817 6.844 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.396 11.517 6.216 1.00 0.00 H new ATOM 0 HG21 ILE A 35 10.339 7.983 6.965 1.00 0.00 H new ATOM 0 HG22 ILE A 35 10.548 7.478 5.272 1.00 0.00 H new ATOM 0 HG23 ILE A 35 11.704 8.611 6.011 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.207 11.089 8.632 1.00 0.00 H new ATOM 0 HD12 ILE A 35 8.053 10.074 7.734 1.00 0.00 H new ATOM 0 HD13 ILE A 35 9.555 9.363 8.371 1.00 0.00 H new ATOM 544 N LYS A 36 11.492 8.728 2.402 1.00 0.00 N ATOM 545 CA LYS A 36 11.754 7.623 1.430 1.00 0.00 C ATOM 546 C LYS A 36 12.013 6.249 2.150 1.00 0.00 C ATOM 547 O LYS A 36 13.142 5.747 2.207 1.00 0.00 O ATOM 548 CB LYS A 36 12.930 8.012 0.488 1.00 0.00 C ATOM 549 CG LYS A 36 12.646 9.111 -0.566 1.00 0.00 C ATOM 550 CD LYS A 36 13.703 9.086 -1.694 1.00 0.00 C ATOM 551 CE LYS A 36 13.420 10.108 -2.807 1.00 0.00 C ATOM 552 NZ LYS A 36 14.297 9.829 -3.980 1.00 0.00 N ATOM 0 H LYS A 36 12.297 9.332 2.569 1.00 0.00 H new ATOM 0 HA LYS A 36 10.858 7.484 0.825 1.00 0.00 H new ATOM 0 HB2 LYS A 36 13.765 8.341 1.106 1.00 0.00 H new ATOM 0 HB3 LYS A 36 13.256 7.114 -0.037 1.00 0.00 H new ATOM 0 HG2 LYS A 36 11.653 8.964 -0.991 1.00 0.00 H new ATOM 0 HG3 LYS A 36 12.646 10.089 -0.085 1.00 0.00 H new ATOM 0 HD2 LYS A 36 14.686 9.285 -1.267 1.00 0.00 H new ATOM 0 HD3 LYS A 36 13.740 8.087 -2.127 1.00 0.00 H new ATOM 0 HE2 LYS A 36 12.372 10.056 -3.104 1.00 0.00 H new ATOM 0 HE3 LYS A 36 13.598 11.119 -2.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 14.103 10.522 -4.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 15.294 9.900 -3.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 14.106 8.871 -4.336 1.00 0.00 H new ATOM 566 N GLY A 37 10.944 5.634 2.683 1.00 0.00 N ATOM 567 CA GLY A 37 11.039 4.338 3.405 1.00 0.00 C ATOM 568 C GLY A 37 10.951 3.064 2.534 1.00 0.00 C ATOM 569 O GLY A 37 10.731 3.107 1.322 1.00 0.00 O ATOM 0 H GLY A 37 9.997 6.009 2.631 1.00 0.00 H new ATOM 0 HA2 GLY A 37 11.984 4.317 3.949 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.243 4.301 4.148 1.00 0.00 H new ATOM 573 N VAL A 38 11.128 1.908 3.186 1.00 0.00 N ATOM 574 CA VAL A 38 11.066 0.571 2.517 1.00 0.00 C ATOM 575 C VAL A 38 9.609 -0.013 2.576 1.00 0.00 C ATOM 576 O VAL A 38 8.909 0.079 3.592 1.00 0.00 O ATOM 577 CB VAL A 38 12.152 -0.383 3.135 1.00 0.00 C ATOM 578 CG1 VAL A 38 12.129 -1.824 2.568 1.00 0.00 C ATOM 579 CG2 VAL A 38 13.604 0.127 2.940 1.00 0.00 C ATOM 0 H VAL A 38 11.318 1.856 4.187 1.00 0.00 H new ATOM 0 HA VAL A 38 11.302 0.674 1.458 1.00 0.00 H new ATOM 0 HB VAL A 38 11.877 -0.389 4.190 1.00 0.00 H new ATOM 0 HG11 VAL A 38 12.909 -2.416 3.047 1.00 0.00 H new ATOM 0 HG12 VAL A 38 11.157 -2.277 2.765 1.00 0.00 H new ATOM 0 HG13 VAL A 38 12.305 -1.795 1.493 1.00 0.00 H new ATOM 0 HG21 VAL A 38 14.301 -0.579 3.390 1.00 0.00 H new ATOM 0 HG22 VAL A 38 13.818 0.219 1.875 1.00 0.00 H new ATOM 0 HG23 VAL A 38 13.715 1.101 3.417 1.00 0.00 H new ATOM 589 N SER A 39 9.182 -0.629 1.465 1.00 0.00 N ATOM 590 CA SER A 39 7.887 -1.345 1.350 1.00 0.00 C ATOM 591 C SER A 39 8.199 -2.782 0.846 1.00 0.00 C ATOM 592 O SER A 39 8.430 -3.027 -0.341 1.00 0.00 O ATOM 593 CB SER A 39 6.956 -0.616 0.368 1.00 0.00 C ATOM 594 OG SER A 39 6.437 0.598 0.908 1.00 0.00 O ATOM 0 H SER A 39 9.728 -0.649 0.604 1.00 0.00 H new ATOM 0 HA SER A 39 7.378 -1.380 2.313 1.00 0.00 H new ATOM 0 HB2 SER A 39 7.501 -0.398 -0.551 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.129 -1.274 0.100 1.00 0.00 H new ATOM 0 HG SER A 39 5.853 1.026 0.248 1.00 0.00 H new ATOM 600 N GLU A 40 8.221 -3.737 1.773 1.00 0.00 N ATOM 601 CA GLU A 40 8.558 -5.154 1.476 1.00 0.00 C ATOM 602 C GLU A 40 7.354 -6.010 0.993 1.00 0.00 C ATOM 603 O GLU A 40 6.213 -5.790 1.406 1.00 0.00 O ATOM 604 CB GLU A 40 9.143 -5.735 2.787 1.00 0.00 C ATOM 605 CG GLU A 40 9.811 -7.131 2.710 1.00 0.00 C ATOM 606 CD GLU A 40 10.405 -7.578 4.033 1.00 0.00 C ATOM 607 OE1 GLU A 40 9.644 -7.825 4.994 1.00 0.00 O ATOM 608 OE2 GLU A 40 11.645 -7.675 4.118 1.00 0.00 O ATOM 0 H GLU A 40 8.008 -3.565 2.755 1.00 0.00 H new ATOM 0 HA GLU A 40 9.263 -5.185 0.645 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.880 -5.029 3.169 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.339 -5.786 3.522 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.073 -7.863 2.384 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.596 -7.111 1.954 1.00 0.00 H new ATOM 615 N ILE A 41 7.631 -7.010 0.141 1.00 0.00 N ATOM 616 CA ILE A 41 6.632 -8.045 -0.256 1.00 0.00 C ATOM 617 C ILE A 41 7.413 -9.405 -0.398 1.00 0.00 C ATOM 618 O ILE A 41 8.467 -9.463 -1.040 1.00 0.00 O ATOM 619 CB ILE A 41 5.839 -7.730 -1.585 1.00 0.00 C ATOM 620 CG1 ILE A 41 5.147 -6.336 -1.625 1.00 0.00 C ATOM 621 CG2 ILE A 41 4.768 -8.820 -1.888 1.00 0.00 C ATOM 622 CD1 ILE A 41 4.613 -5.910 -3.003 1.00 0.00 C ATOM 0 H ILE A 41 8.544 -7.134 -0.296 1.00 0.00 H new ATOM 0 HA ILE A 41 5.863 -8.079 0.516 1.00 0.00 H new ATOM 0 HB ILE A 41 6.615 -7.725 -2.350 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.318 -6.339 -0.917 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.858 -5.585 -1.280 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.243 -8.568 -2.810 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.256 -9.788 -2.001 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.054 -8.867 -1.066 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.150 -4.926 -2.925 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.437 -5.868 -3.715 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.873 -6.633 -3.346 1.00 0.00 H new ATOM 634 N VAL A 42 6.866 -10.505 0.154 1.00 0.00 N ATOM 635 CA VAL A 42 7.419 -11.886 -0.027 1.00 0.00 C ATOM 636 C VAL A 42 6.287 -12.722 -0.719 1.00 0.00 C ATOM 637 O VAL A 42 5.302 -13.095 -0.067 1.00 0.00 O ATOM 638 CB VAL A 42 7.903 -12.577 1.300 1.00 0.00 C ATOM 639 CG1 VAL A 42 8.758 -13.834 1.015 1.00 0.00 C ATOM 640 CG2 VAL A 42 8.699 -11.692 2.285 1.00 0.00 C ATOM 0 H VAL A 42 6.031 -10.475 0.738 1.00 0.00 H new ATOM 0 HA VAL A 42 8.324 -11.827 -0.632 1.00 0.00 H new ATOM 0 HB VAL A 42 6.959 -12.825 1.785 1.00 0.00 H new ATOM 0 HG11 VAL A 42 9.072 -14.282 1.958 1.00 0.00 H new ATOM 0 HG12 VAL A 42 8.168 -14.555 0.450 1.00 0.00 H new ATOM 0 HG13 VAL A 42 9.638 -13.552 0.436 1.00 0.00 H new ATOM 0 HG21 VAL A 42 8.977 -12.280 3.160 1.00 0.00 H new ATOM 0 HG22 VAL A 42 9.600 -11.322 1.795 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.083 -10.848 2.596 1.00 0.00 H new ATOM 650 N GLN A 43 6.420 -13.033 -2.022 1.00 0.00 N ATOM 651 CA GLN A 43 5.390 -13.801 -2.781 1.00 0.00 C ATOM 652 C GLN A 43 5.478 -15.343 -2.522 1.00 0.00 C ATOM 653 O GLN A 43 6.387 -16.015 -3.018 1.00 0.00 O ATOM 654 CB GLN A 43 5.554 -13.420 -4.281 1.00 0.00 C ATOM 655 CG GLN A 43 4.494 -14.029 -5.240 1.00 0.00 C ATOM 656 CD GLN A 43 4.586 -13.598 -6.713 1.00 0.00 C ATOM 657 OE1 GLN A 43 5.581 -13.065 -7.196 1.00 0.00 O ATOM 658 NE2 GLN A 43 3.545 -13.836 -7.474 1.00 0.00 N ATOM 0 H GLN A 43 7.231 -12.767 -2.581 1.00 0.00 H new ATOM 0 HA GLN A 43 4.389 -13.536 -2.440 1.00 0.00 H new ATOM 0 HB2 GLN A 43 5.518 -12.334 -4.369 1.00 0.00 H new ATOM 0 HB3 GLN A 43 6.544 -13.735 -4.613 1.00 0.00 H new ATOM 0 HG2 GLN A 43 4.575 -15.115 -5.195 1.00 0.00 H new ATOM 0 HG3 GLN A 43 3.504 -13.767 -4.867 1.00 0.00 H new ATOM 0 HE21 GLN A 43 2.715 -14.279 -7.079 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.565 -13.579 -8.461 1.00 0.00 H new ATOM 667 N ASN A 44 4.513 -15.902 -1.768 1.00 0.00 N ATOM 668 CA ASN A 44 4.448 -17.368 -1.472 1.00 0.00 C ATOM 669 C ASN A 44 3.155 -17.979 -2.120 1.00 0.00 C ATOM 670 O ASN A 44 2.223 -18.399 -1.423 1.00 0.00 O ATOM 671 CB ASN A 44 4.511 -17.594 0.070 1.00 0.00 C ATOM 672 CG ASN A 44 5.775 -17.136 0.805 1.00 0.00 C ATOM 673 OD1 ASN A 44 6.739 -17.873 0.969 1.00 0.00 O ATOM 674 ND2 ASN A 44 5.810 -15.920 1.295 1.00 0.00 N ATOM 0 H ASN A 44 3.756 -15.365 -1.344 1.00 0.00 H new ATOM 0 HA ASN A 44 5.303 -17.883 -1.909 1.00 0.00 H new ATOM 0 HB2 ASN A 44 3.659 -17.084 0.519 1.00 0.00 H new ATOM 0 HB3 ASN A 44 4.381 -18.660 0.259 1.00 0.00 H new ATOM 0 HD21 ASN A 44 6.633 -15.599 1.805 1.00 0.00 H new ATOM 0 HD22 ASN A 44 5.014 -15.295 1.166 1.00 0.00 H new ATOM 681 N GLY A 45 3.093 -18.021 -3.470 1.00 0.00 N ATOM 682 CA GLY A 45 1.895 -18.504 -4.218 1.00 0.00 C ATOM 683 C GLY A 45 0.659 -17.585 -4.068 1.00 0.00 C ATOM 684 O GLY A 45 0.547 -16.565 -4.748 1.00 0.00 O ATOM 0 H GLY A 45 3.861 -17.726 -4.073 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.147 -18.590 -5.275 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.638 -19.504 -3.869 1.00 0.00 H new ATOM 688 N LYS A 46 -0.253 -17.963 -3.161 1.00 0.00 N ATOM 689 CA LYS A 46 -1.403 -17.104 -2.759 1.00 0.00 C ATOM 690 C LYS A 46 -1.059 -16.097 -1.602 1.00 0.00 C ATOM 691 O LYS A 46 -1.617 -14.999 -1.601 1.00 0.00 O ATOM 692 CB LYS A 46 -2.605 -18.006 -2.347 1.00 0.00 C ATOM 693 CG LYS A 46 -3.296 -18.797 -3.489 1.00 0.00 C ATOM 694 CD LYS A 46 -4.385 -19.793 -3.005 1.00 0.00 C ATOM 695 CE LYS A 46 -5.864 -19.376 -3.168 1.00 0.00 C ATOM 696 NZ LYS A 46 -6.240 -18.242 -2.284 1.00 0.00 N ATOM 0 H LYS A 46 -0.225 -18.863 -2.682 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.662 -16.495 -3.625 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.257 -18.719 -1.599 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.354 -17.378 -1.864 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.749 -18.089 -4.183 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.537 -19.348 -4.045 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.241 -20.733 -3.538 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.208 -19.996 -1.949 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.047 -19.098 -4.206 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -6.505 -20.230 -2.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.178 -18.420 -1.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.538 -18.148 -1.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -6.267 -17.363 -2.839 1.00 0.00 H new ATOM 710 N HIS A 47 -0.192 -16.449 -0.626 1.00 0.00 N ATOM 711 CA HIS A 47 0.133 -15.585 0.546 1.00 0.00 C ATOM 712 C HIS A 47 1.310 -14.603 0.258 1.00 0.00 C ATOM 713 O HIS A 47 2.463 -15.001 0.073 1.00 0.00 O ATOM 714 CB HIS A 47 0.449 -16.487 1.774 1.00 0.00 C ATOM 715 CG HIS A 47 -0.770 -17.162 2.399 1.00 0.00 C ATOM 716 ND1 HIS A 47 -1.217 -18.425 2.070 1.00 0.00 N ATOM 717 CD2 HIS A 47 -1.636 -16.575 3.334 1.00 0.00 C ATOM 718 CE1 HIS A 47 -2.341 -18.492 2.849 1.00 0.00 C ATOM 719 NE2 HIS A 47 -2.700 -17.421 3.628 1.00 0.00 N ATOM 0 H HIS A 47 0.306 -17.339 -0.623 1.00 0.00 H new ATOM 0 HA HIS A 47 -0.737 -14.963 0.759 1.00 0.00 H new ATOM 0 HB2 HIS A 47 1.158 -17.257 1.469 1.00 0.00 H new ATOM 0 HB3 HIS A 47 0.943 -15.882 2.535 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -1.495 -15.596 3.768 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -2.945 -19.387 2.850 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -3.505 -17.286 4.239 1.00 0.00 H new ATOM 727 N PHE A 48 1.006 -13.302 0.252 1.00 0.00 N ATOM 728 CA PHE A 48 1.992 -12.225 -0.014 1.00 0.00 C ATOM 729 C PHE A 48 2.293 -11.503 1.335 1.00 0.00 C ATOM 730 O PHE A 48 1.474 -10.719 1.828 1.00 0.00 O ATOM 731 CB PHE A 48 1.385 -11.268 -1.071 1.00 0.00 C ATOM 732 CG PHE A 48 1.396 -11.675 -2.561 1.00 0.00 C ATOM 733 CD1 PHE A 48 0.784 -12.849 -3.022 1.00 0.00 C ATOM 734 CD2 PHE A 48 1.905 -10.768 -3.496 1.00 0.00 C ATOM 735 CE1 PHE A 48 0.701 -13.113 -4.388 1.00 0.00 C ATOM 736 CE2 PHE A 48 1.803 -11.024 -4.858 1.00 0.00 C ATOM 737 CZ PHE A 48 1.203 -12.193 -5.304 1.00 0.00 C ATOM 0 H PHE A 48 0.064 -12.953 0.432 1.00 0.00 H new ATOM 0 HA PHE A 48 2.932 -12.611 -0.408 1.00 0.00 H new ATOM 0 HB2 PHE A 48 0.348 -11.086 -0.790 1.00 0.00 H new ATOM 0 HB3 PHE A 48 1.909 -10.316 -0.989 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.374 -13.554 -2.314 1.00 0.00 H new ATOM 0 HD2 PHE A 48 2.382 -9.860 -3.156 1.00 0.00 H new ATOM 0 HE1 PHE A 48 0.248 -14.030 -4.735 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.191 -10.312 -5.571 1.00 0.00 H new ATOM 0 HZ PHE A 48 1.125 -12.389 -6.363 1.00 0.00 H new ATOM 747 N LYS A 49 3.467 -11.770 1.933 1.00 0.00 N ATOM 748 CA LYS A 49 3.845 -11.195 3.260 1.00 0.00 C ATOM 749 C LYS A 49 4.513 -9.809 3.100 1.00 0.00 C ATOM 750 O LYS A 49 5.601 -9.714 2.525 1.00 0.00 O ATOM 751 CB LYS A 49 4.784 -12.155 4.036 1.00 0.00 C ATOM 752 CG LYS A 49 4.157 -13.514 4.401 1.00 0.00 C ATOM 753 CD LYS A 49 5.175 -14.523 4.973 1.00 0.00 C ATOM 754 CE LYS A 49 4.731 -15.996 4.906 1.00 0.00 C ATOM 755 NZ LYS A 49 3.549 -16.282 5.769 1.00 0.00 N ATOM 0 H LYS A 49 4.178 -12.379 1.528 1.00 0.00 H new ATOM 0 HA LYS A 49 2.927 -11.069 3.834 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.677 -12.332 3.436 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.108 -11.662 4.952 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.364 -13.356 5.131 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.692 -13.942 3.513 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.115 -14.416 4.431 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.376 -14.265 6.013 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.492 -16.252 3.874 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.560 -16.635 5.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.624 -17.246 6.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.518 -15.599 6.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.679 -16.201 5.205 1.00 0.00 H new ATOM 769 N PHE A 50 3.872 -8.749 3.611 1.00 0.00 N ATOM 770 CA PHE A 50 4.412 -7.366 3.499 1.00 0.00 C ATOM 771 C PHE A 50 4.976 -6.756 4.814 1.00 0.00 C ATOM 772 O PHE A 50 4.493 -7.034 5.916 1.00 0.00 O ATOM 773 CB PHE A 50 3.414 -6.429 2.752 1.00 0.00 C ATOM 774 CG PHE A 50 2.057 -5.976 3.351 1.00 0.00 C ATOM 775 CD1 PHE A 50 1.926 -5.393 4.620 1.00 0.00 C ATOM 776 CD2 PHE A 50 0.951 -5.974 2.499 1.00 0.00 C ATOM 777 CE1 PHE A 50 0.715 -4.839 5.026 1.00 0.00 C ATOM 778 CE2 PHE A 50 -0.265 -5.438 2.907 1.00 0.00 C ATOM 779 CZ PHE A 50 -0.383 -4.868 4.171 1.00 0.00 C ATOM 0 H PHE A 50 2.982 -8.811 4.106 1.00 0.00 H new ATOM 0 HA PHE A 50 5.306 -7.456 2.882 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.965 -5.519 2.516 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.184 -6.917 1.805 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.773 -5.374 5.289 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.041 -6.395 1.509 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.628 -4.387 6.003 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.117 -5.464 2.244 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.326 -4.448 4.488 1.00 0.00 H new ATOM 789 N THR A 51 5.974 -5.869 4.656 1.00 0.00 N ATOM 790 CA THR A 51 6.532 -5.053 5.782 1.00 0.00 C ATOM 791 C THR A 51 6.548 -3.579 5.251 1.00 0.00 C ATOM 792 O THR A 51 7.482 -3.175 4.548 1.00 0.00 O ATOM 793 CB THR A 51 7.919 -5.577 6.280 1.00 0.00 C ATOM 794 OG1 THR A 51 7.936 -6.995 6.447 1.00 0.00 O ATOM 795 CG2 THR A 51 8.375 -4.979 7.611 1.00 0.00 C ATOM 0 H THR A 51 6.423 -5.688 3.758 1.00 0.00 H new ATOM 0 HA THR A 51 5.921 -5.124 6.682 1.00 0.00 H new ATOM 0 HB THR A 51 8.600 -5.262 5.490 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.768 -7.358 6.078 1.00 0.00 H new ATOM 0 HG21 THR A 51 9.345 -5.395 7.884 1.00 0.00 H new ATOM 0 HG22 THR A 51 8.459 -3.897 7.514 1.00 0.00 H new ATOM 0 HG23 THR A 51 7.647 -5.218 8.386 1.00 0.00 H new ATOM 803 N ILE A 52 5.503 -2.780 5.550 1.00 0.00 N ATOM 804 CA ILE A 52 5.309 -1.425 4.938 1.00 0.00 C ATOM 805 C ILE A 52 5.657 -0.274 5.931 1.00 0.00 C ATOM 806 O ILE A 52 5.198 -0.236 7.074 1.00 0.00 O ATOM 807 CB ILE A 52 3.855 -1.287 4.348 1.00 0.00 C ATOM 808 CG1 ILE A 52 3.443 -2.403 3.341 1.00 0.00 C ATOM 809 CG2 ILE A 52 3.551 0.090 3.698 1.00 0.00 C ATOM 810 CD1 ILE A 52 4.338 -2.594 2.106 1.00 0.00 C ATOM 0 H ILE A 52 4.772 -3.040 6.212 1.00 0.00 H new ATOM 0 HA ILE A 52 6.013 -1.329 4.111 1.00 0.00 H new ATOM 0 HB ILE A 52 3.251 -1.396 5.249 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.405 -3.349 3.881 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.431 -2.191 2.996 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.529 0.096 3.319 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.666 0.877 4.443 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.244 0.265 2.875 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.940 -3.400 1.489 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.360 -1.671 1.527 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.349 -2.847 2.425 1.00 0.00 H new ATOM 822 N THR A 53 6.416 0.717 5.445 1.00 0.00 N ATOM 823 CA THR A 53 6.790 1.925 6.228 1.00 0.00 C ATOM 824 C THR A 53 5.777 3.088 5.967 1.00 0.00 C ATOM 825 O THR A 53 5.713 3.694 4.887 1.00 0.00 O ATOM 826 CB THR A 53 8.255 2.372 5.941 1.00 0.00 C ATOM 827 OG1 THR A 53 8.501 2.459 4.543 1.00 0.00 O ATOM 828 CG2 THR A 53 9.330 1.455 6.546 1.00 0.00 C ATOM 0 H THR A 53 6.794 0.713 4.497 1.00 0.00 H new ATOM 0 HA THR A 53 6.741 1.662 7.285 1.00 0.00 H new ATOM 0 HB THR A 53 8.335 3.347 6.422 1.00 0.00 H new ATOM 0 HG1 THR A 53 8.887 1.616 4.226 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.319 1.840 6.297 1.00 0.00 H new ATOM 0 HG22 THR A 53 9.214 1.424 7.629 1.00 0.00 H new ATOM 0 HG23 THR A 53 9.220 0.449 6.141 1.00 0.00 H new ATOM 836 N ALA A 54 4.980 3.391 7.000 1.00 0.00 N ATOM 837 CA ALA A 54 4.057 4.556 7.018 1.00 0.00 C ATOM 838 C ALA A 54 4.717 5.747 7.782 1.00 0.00 C ATOM 839 O ALA A 54 4.321 6.115 8.893 1.00 0.00 O ATOM 840 CB ALA A 54 2.751 4.034 7.647 1.00 0.00 C ATOM 0 H ALA A 54 4.950 2.838 7.856 1.00 0.00 H new ATOM 0 HA ALA A 54 3.838 4.958 6.029 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.021 4.842 7.693 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.354 3.221 7.040 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.953 3.670 8.654 1.00 0.00 H new ATOM 846 N GLY A 55 5.756 6.338 7.158 1.00 0.00 N ATOM 847 CA GLY A 55 6.587 7.391 7.794 1.00 0.00 C ATOM 848 C GLY A 55 7.520 6.834 8.892 1.00 0.00 C ATOM 849 O GLY A 55 8.623 6.368 8.602 1.00 0.00 O ATOM 0 H GLY A 55 6.044 6.105 6.208 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.187 7.885 7.030 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.935 8.150 8.228 1.00 0.00 H new ATOM 853 N SER A 56 7.035 6.871 10.139 1.00 0.00 N ATOM 854 CA SER A 56 7.731 6.259 11.311 1.00 0.00 C ATOM 855 C SER A 56 7.239 4.809 11.665 1.00 0.00 C ATOM 856 O SER A 56 8.051 3.998 12.117 1.00 0.00 O ATOM 857 CB SER A 56 7.589 7.174 12.553 1.00 0.00 C ATOM 858 OG SER A 56 8.063 8.505 12.323 1.00 0.00 O ATOM 0 H SER A 56 6.152 7.322 10.379 1.00 0.00 H new ATOM 0 HA SER A 56 8.777 6.166 11.019 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.541 7.214 12.851 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.140 6.736 13.385 1.00 0.00 H new ATOM 0 HG SER A 56 7.948 9.038 13.137 1.00 0.00 H new ATOM 864 N LYS A 57 5.936 4.471 11.503 1.00 0.00 N ATOM 865 CA LYS A 57 5.392 3.135 11.874 1.00 0.00 C ATOM 866 C LYS A 57 5.647 2.028 10.797 1.00 0.00 C ATOM 867 O LYS A 57 5.354 2.197 9.609 1.00 0.00 O ATOM 868 CB LYS A 57 3.869 3.279 12.176 1.00 0.00 C ATOM 869 CG LYS A 57 3.244 2.039 12.872 1.00 0.00 C ATOM 870 CD LYS A 57 1.706 2.073 12.978 1.00 0.00 C ATOM 871 CE LYS A 57 1.168 0.794 13.653 1.00 0.00 C ATOM 872 NZ LYS A 57 -0.315 0.755 13.597 1.00 0.00 N ATOM 0 H LYS A 57 5.238 5.106 11.117 1.00 0.00 H new ATOM 0 HA LYS A 57 5.928 2.798 12.762 1.00 0.00 H new ATOM 0 HB2 LYS A 57 3.715 4.154 12.808 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.339 3.464 11.241 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.538 1.144 12.324 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.663 1.951 13.874 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.397 2.948 13.550 1.00 0.00 H new ATOM 0 HD3 LYS A 57 1.272 2.173 11.983 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.579 -0.085 13.157 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.499 0.758 14.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.655 -0.137 14.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.704 1.556 14.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.627 0.818 12.607 1.00 0.00 H new ATOM 886 N VAL A 58 6.125 0.859 11.257 1.00 0.00 N ATOM 887 CA VAL A 58 6.313 -0.345 10.395 1.00 0.00 C ATOM 888 C VAL A 58 5.002 -1.202 10.508 1.00 0.00 C ATOM 889 O VAL A 58 4.735 -1.825 11.540 1.00 0.00 O ATOM 890 CB VAL A 58 7.616 -1.120 10.795 1.00 0.00 C ATOM 891 CG1 VAL A 58 7.842 -2.373 9.921 1.00 0.00 C ATOM 892 CG2 VAL A 58 8.912 -0.276 10.697 1.00 0.00 C ATOM 0 H VAL A 58 6.394 0.711 12.230 1.00 0.00 H new ATOM 0 HA VAL A 58 6.463 -0.075 9.350 1.00 0.00 H new ATOM 0 HB VAL A 58 7.437 -1.388 11.836 1.00 0.00 H new ATOM 0 HG11 VAL A 58 8.756 -2.876 10.236 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.997 -3.052 10.033 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.933 -2.076 8.876 1.00 0.00 H new ATOM 0 HG21 VAL A 58 9.766 -0.886 10.991 1.00 0.00 H new ATOM 0 HG22 VAL A 58 9.046 0.067 9.671 1.00 0.00 H new ATOM 0 HG23 VAL A 58 8.836 0.586 11.360 1.00 0.00 H new ATOM 902 N ILE A 59 4.185 -1.212 9.442 1.00 0.00 N ATOM 903 CA ILE A 59 2.887 -1.951 9.394 1.00 0.00 C ATOM 904 C ILE A 59 3.142 -3.282 8.615 1.00 0.00 C ATOM 905 O ILE A 59 3.252 -3.286 7.382 1.00 0.00 O ATOM 906 CB ILE A 59 1.751 -1.061 8.764 1.00 0.00 C ATOM 907 CG1 ILE A 59 1.517 0.275 9.534 1.00 0.00 C ATOM 908 CG2 ILE A 59 0.405 -1.831 8.661 1.00 0.00 C ATOM 909 CD1 ILE A 59 0.599 1.295 8.839 1.00 0.00 C ATOM 0 H ILE A 59 4.396 -0.710 8.580 1.00 0.00 H new ATOM 0 HA ILE A 59 2.529 -2.192 10.395 1.00 0.00 H new ATOM 0 HB ILE A 59 2.107 -0.814 7.764 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.094 0.040 10.511 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.484 0.746 9.710 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.353 -1.182 8.221 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.537 -2.712 8.033 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.085 -2.140 9.656 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.506 2.185 9.462 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.025 1.570 7.874 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.386 0.854 8.688 1.00 0.00 H new ATOM 921 N GLN A 60 3.221 -4.409 9.341 1.00 0.00 N ATOM 922 CA GLN A 60 3.484 -5.745 8.744 1.00 0.00 C ATOM 923 C GLN A 60 2.253 -6.698 8.871 1.00 0.00 C ATOM 924 O GLN A 60 1.774 -7.021 9.961 1.00 0.00 O ATOM 925 CB GLN A 60 4.826 -6.325 9.266 1.00 0.00 C ATOM 926 CG GLN A 60 4.956 -6.749 10.751 1.00 0.00 C ATOM 927 CD GLN A 60 4.961 -5.603 11.773 1.00 0.00 C ATOM 928 OE1 GLN A 60 3.924 -5.124 12.219 1.00 0.00 O ATOM 929 NE2 GLN A 60 6.110 -5.096 12.150 1.00 0.00 N ATOM 0 H GLN A 60 3.106 -4.429 10.354 1.00 0.00 H new ATOM 0 HA GLN A 60 3.616 -5.633 7.668 1.00 0.00 H new ATOM 0 HB2 GLN A 60 5.062 -7.198 8.657 1.00 0.00 H new ATOM 0 HB3 GLN A 60 5.599 -5.582 9.071 1.00 0.00 H new ATOM 0 HG2 GLN A 60 4.133 -7.422 10.991 1.00 0.00 H new ATOM 0 HG3 GLN A 60 5.878 -7.319 10.868 1.00 0.00 H new ATOM 0 HE21 GLN A 60 6.982 -5.483 11.788 1.00 0.00 H new ATOM 0 HE22 GLN A 60 6.132 -4.315 12.805 1.00 0.00 H new ATOM 938 N ASN A 61 1.737 -7.114 7.711 1.00 0.00 N ATOM 939 CA ASN A 61 0.567 -8.035 7.577 1.00 0.00 C ATOM 940 C ASN A 61 0.752 -8.895 6.272 1.00 0.00 C ATOM 941 O ASN A 61 1.570 -8.571 5.401 1.00 0.00 O ATOM 942 CB ASN A 61 -0.781 -7.247 7.529 1.00 0.00 C ATOM 943 CG ASN A 61 -1.286 -6.597 8.822 1.00 0.00 C ATOM 944 OD1 ASN A 61 -2.013 -7.190 9.613 1.00 0.00 O ATOM 945 ND2 ASN A 61 -0.967 -5.349 9.061 1.00 0.00 N ATOM 0 H ASN A 61 2.117 -6.823 6.810 1.00 0.00 H new ATOM 0 HA ASN A 61 0.525 -8.686 8.450 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -0.682 -6.463 6.779 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -1.554 -7.930 7.176 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -1.322 -4.883 9.896 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.364 -4.844 8.412 1.00 0.00 H new ATOM 952 N GLU A 62 -0.003 -10.001 6.116 1.00 0.00 N ATOM 953 CA GLU A 62 0.067 -10.852 4.892 1.00 0.00 C ATOM 954 C GLU A 62 -1.309 -10.990 4.180 1.00 0.00 C ATOM 955 O GLU A 62 -2.324 -11.307 4.810 1.00 0.00 O ATOM 956 CB GLU A 62 0.790 -12.192 5.174 1.00 0.00 C ATOM 957 CG GLU A 62 0.071 -13.326 5.944 1.00 0.00 C ATOM 958 CD GLU A 62 0.956 -14.556 6.078 1.00 0.00 C ATOM 959 OE1 GLU A 62 1.179 -15.268 5.073 1.00 0.00 O ATOM 960 OE2 GLU A 62 1.521 -14.789 7.165 1.00 0.00 O ATOM 0 H GLU A 62 -0.668 -10.332 6.815 1.00 0.00 H new ATOM 0 HA GLU A 62 0.691 -10.337 4.161 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.096 -12.601 4.211 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.701 -11.956 5.725 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.213 -12.971 6.935 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.849 -13.593 5.425 1.00 0.00 H new ATOM 967 N PHE A 63 -1.333 -10.741 2.857 1.00 0.00 N ATOM 968 CA PHE A 63 -2.571 -10.846 2.040 1.00 0.00 C ATOM 969 C PHE A 63 -2.638 -12.144 1.193 1.00 0.00 C ATOM 970 O PHE A 63 -1.684 -12.545 0.522 1.00 0.00 O ATOM 971 CB PHE A 63 -2.864 -9.571 1.215 1.00 0.00 C ATOM 972 CG PHE A 63 -1.886 -9.170 0.099 1.00 0.00 C ATOM 973 CD1 PHE A 63 -0.772 -8.380 0.392 1.00 0.00 C ATOM 974 CD2 PHE A 63 -2.117 -9.568 -1.222 1.00 0.00 C ATOM 975 CE1 PHE A 63 0.088 -7.975 -0.626 1.00 0.00 C ATOM 976 CE2 PHE A 63 -1.269 -9.143 -2.241 1.00 0.00 C ATOM 977 CZ PHE A 63 -0.172 -8.340 -1.940 1.00 0.00 C ATOM 0 H PHE A 63 -0.509 -10.464 2.323 1.00 0.00 H new ATOM 0 HA PHE A 63 -3.386 -10.925 2.760 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.849 -9.689 0.764 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -2.931 -8.735 1.912 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -0.577 -8.082 1.412 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -2.956 -10.207 -1.452 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.957 -7.377 -0.393 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -1.462 -9.435 -3.263 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.479 -8.000 -2.732 1.00 0.00 H new ATOM 987 N THR A 64 -3.821 -12.761 1.206 1.00 0.00 N ATOM 988 CA THR A 64 -4.096 -14.017 0.470 1.00 0.00 C ATOM 989 C THR A 64 -4.845 -13.652 -0.850 1.00 0.00 C ATOM 990 O THR A 64 -5.960 -13.123 -0.829 1.00 0.00 O ATOM 991 CB THR A 64 -4.894 -15.000 1.384 1.00 0.00 C ATOM 992 OG1 THR A 64 -4.316 -15.106 2.683 1.00 0.00 O ATOM 993 CG2 THR A 64 -4.954 -16.429 0.830 1.00 0.00 C ATOM 0 H THR A 64 -4.625 -12.410 1.727 1.00 0.00 H new ATOM 0 HA THR A 64 -3.175 -14.534 0.200 1.00 0.00 H new ATOM 0 HB THR A 64 -5.895 -14.570 1.424 1.00 0.00 H new ATOM 0 HG1 THR A 64 -3.958 -16.010 2.809 1.00 0.00 H new ATOM 0 HG21 THR A 64 -5.522 -17.060 1.513 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.439 -16.421 -0.146 1.00 0.00 H new ATOM 0 HG23 THR A 64 -3.943 -16.823 0.729 1.00 0.00 H new ATOM 1001 N VAL A 65 -4.239 -13.938 -2.013 1.00 0.00 N ATOM 1002 CA VAL A 65 -4.867 -13.661 -3.346 1.00 0.00 C ATOM 1003 C VAL A 65 -5.961 -14.749 -3.610 1.00 0.00 C ATOM 1004 O VAL A 65 -5.657 -15.948 -3.670 1.00 0.00 O ATOM 1005 CB VAL A 65 -3.767 -13.585 -4.457 1.00 0.00 C ATOM 1006 CG1 VAL A 65 -4.283 -13.484 -5.913 1.00 0.00 C ATOM 1007 CG2 VAL A 65 -2.785 -12.404 -4.261 1.00 0.00 C ATOM 0 H VAL A 65 -3.313 -14.362 -2.073 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.361 -12.689 -3.358 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.271 -14.547 -4.328 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.436 -13.437 -6.597 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.889 -14.359 -6.146 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.888 -12.584 -6.023 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.047 -12.407 -5.064 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.337 -11.465 -4.279 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -2.278 -12.508 -3.302 1.00 0.00 H new ATOM 1017 N GLY A 66 -7.232 -14.333 -3.730 1.00 0.00 N ATOM 1018 CA GLY A 66 -8.373 -15.285 -3.889 1.00 0.00 C ATOM 1019 C GLY A 66 -9.129 -15.776 -2.623 1.00 0.00 C ATOM 1020 O GLY A 66 -10.183 -16.385 -2.790 1.00 0.00 O ATOM 0 H GLY A 66 -7.508 -13.351 -3.722 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.104 -14.815 -4.547 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -7.996 -16.166 -4.409 1.00 0.00 H new ATOM 1024 N GLU A 67 -8.611 -15.554 -1.399 1.00 0.00 N ATOM 1025 CA GLU A 67 -9.337 -15.852 -0.124 1.00 0.00 C ATOM 1026 C GLU A 67 -9.175 -14.676 0.904 1.00 0.00 C ATOM 1027 O GLU A 67 -8.224 -13.891 0.837 1.00 0.00 O ATOM 1028 CB GLU A 67 -8.848 -17.209 0.468 1.00 0.00 C ATOM 1029 CG GLU A 67 -9.457 -18.483 -0.177 1.00 0.00 C ATOM 1030 CD GLU A 67 -10.927 -18.780 0.107 1.00 0.00 C ATOM 1031 OE1 GLU A 67 -11.618 -17.994 0.791 1.00 0.00 O ATOM 1032 OE2 GLU A 67 -11.389 -19.834 -0.373 1.00 0.00 O ATOM 0 H GLU A 67 -7.680 -15.164 -1.254 1.00 0.00 H new ATOM 0 HA GLU A 67 -10.402 -15.944 -0.340 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.763 -17.257 0.370 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.073 -17.221 1.535 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.331 -18.407 -1.257 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.870 -19.341 0.152 1.00 0.00 H new ATOM 1039 N GLU A 68 -10.106 -14.547 1.870 1.00 0.00 N ATOM 1040 CA GLU A 68 -10.117 -13.431 2.865 1.00 0.00 C ATOM 1041 C GLU A 68 -8.794 -13.145 3.666 1.00 0.00 C ATOM 1042 O GLU A 68 -8.155 -14.055 4.203 1.00 0.00 O ATOM 1043 CB GLU A 68 -11.347 -13.558 3.806 1.00 0.00 C ATOM 1044 CG GLU A 68 -11.382 -14.791 4.750 1.00 0.00 C ATOM 1045 CD GLU A 68 -11.923 -14.537 6.149 1.00 0.00 C ATOM 1046 OE1 GLU A 68 -13.086 -14.116 6.306 1.00 0.00 O ATOM 1047 OE2 GLU A 68 -11.163 -14.708 7.125 1.00 0.00 O ATOM 0 H GLU A 68 -10.874 -15.207 1.991 1.00 0.00 H new ATOM 0 HA GLU A 68 -10.196 -12.538 2.244 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.400 -12.659 4.420 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -12.246 -13.576 3.190 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -11.988 -15.567 4.282 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.370 -15.187 4.838 1.00 0.00 H new ATOM 1054 N CYS A 69 -8.402 -11.858 3.740 1.00 0.00 N ATOM 1055 CA CYS A 69 -7.179 -11.420 4.465 1.00 0.00 C ATOM 1056 C CYS A 69 -7.367 -10.048 5.172 1.00 0.00 C ATOM 1057 O CYS A 69 -7.637 -9.016 4.548 1.00 0.00 O ATOM 1058 CB CYS A 69 -5.958 -11.399 3.531 1.00 0.00 C ATOM 1059 SG CYS A 69 -6.322 -10.664 1.897 1.00 0.00 S ATOM 0 H CYS A 69 -8.916 -11.092 3.304 1.00 0.00 H new ATOM 0 HA CYS A 69 -6.997 -12.156 5.248 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -5.154 -10.836 4.005 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -5.596 -12.418 3.393 1.00 0.00 H new ATOM 0 HG CYS A 69 -7.033 -9.587 2.054 1.00 0.00 H new ATOM 1065 N GLU A 70 -7.176 -10.069 6.497 1.00 0.00 N ATOM 1066 CA GLU A 70 -7.305 -8.877 7.381 1.00 0.00 C ATOM 1067 C GLU A 70 -6.024 -7.981 7.397 1.00 0.00 C ATOM 1068 O GLU A 70 -4.951 -8.408 7.837 1.00 0.00 O ATOM 1069 CB GLU A 70 -7.815 -9.288 8.787 1.00 0.00 C ATOM 1070 CG GLU A 70 -6.999 -10.365 9.532 1.00 0.00 C ATOM 1071 CD GLU A 70 -7.445 -10.622 10.957 1.00 0.00 C ATOM 1072 OE1 GLU A 70 -8.578 -11.108 11.156 1.00 0.00 O ATOM 1073 OE2 GLU A 70 -6.652 -10.341 11.883 1.00 0.00 O ATOM 0 H GLU A 70 -6.924 -10.918 7.003 1.00 0.00 H new ATOM 0 HA GLU A 70 -8.068 -8.226 6.954 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.850 -8.395 9.411 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.839 -9.646 8.686 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.059 -11.299 8.973 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.951 -10.066 9.542 1.00 0.00 H new ATOM 1080 N LEU A 71 -6.152 -6.726 6.932 1.00 0.00 N ATOM 1081 CA LEU A 71 -5.012 -5.769 6.823 1.00 0.00 C ATOM 1082 C LEU A 71 -5.329 -4.432 7.568 1.00 0.00 C ATOM 1083 O LEU A 71 -6.441 -3.901 7.471 1.00 0.00 O ATOM 1084 CB LEU A 71 -4.701 -5.487 5.321 1.00 0.00 C ATOM 1085 CG LEU A 71 -4.450 -6.692 4.369 1.00 0.00 C ATOM 1086 CD1 LEU A 71 -4.214 -6.193 2.937 1.00 0.00 C ATOM 1087 CD2 LEU A 71 -3.274 -7.586 4.799 1.00 0.00 C ATOM 0 H LEU A 71 -7.042 -6.337 6.619 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.138 -6.219 7.294 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.533 -4.912 4.914 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.821 -4.846 5.281 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.348 -7.307 4.419 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.039 -7.044 2.279 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -5.091 -5.643 2.594 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.344 -5.536 2.919 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.160 -8.404 4.088 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.358 -6.996 4.823 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.470 -7.992 5.791 1.00 0.00 H new ATOM 1099 N GLU A 72 -4.352 -3.858 8.295 1.00 0.00 N ATOM 1100 CA GLU A 72 -4.538 -2.561 9.016 1.00 0.00 C ATOM 1101 C GLU A 72 -4.699 -1.329 8.054 1.00 0.00 C ATOM 1102 O GLU A 72 -4.049 -1.194 7.012 1.00 0.00 O ATOM 1103 CB GLU A 72 -3.331 -2.392 9.982 1.00 0.00 C ATOM 1104 CG GLU A 72 -3.476 -1.246 11.019 1.00 0.00 C ATOM 1105 CD GLU A 72 -2.215 -0.922 11.796 1.00 0.00 C ATOM 1106 OE1 GLU A 72 -1.436 -0.049 11.353 1.00 0.00 O ATOM 1107 OE2 GLU A 72 -2.009 -1.466 12.900 1.00 0.00 O ATOM 0 H GLU A 72 -3.422 -4.263 8.406 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.475 -2.591 9.572 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.180 -3.329 10.518 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.433 -2.215 9.390 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -3.806 -0.346 10.500 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.262 -1.513 11.726 1.00 0.00 H new ATOM 1114 N THR A 73 -5.605 -0.437 8.461 1.00 0.00 N ATOM 1115 CA THR A 73 -5.947 0.824 7.746 1.00 0.00 C ATOM 1116 C THR A 73 -5.528 2.083 8.574 1.00 0.00 C ATOM 1117 O THR A 73 -5.280 2.039 9.783 1.00 0.00 O ATOM 1118 CB THR A 73 -7.476 0.792 7.391 1.00 0.00 C ATOM 1119 OG1 THR A 73 -7.921 2.020 6.820 1.00 0.00 O ATOM 1120 CG2 THR A 73 -8.446 0.495 8.543 1.00 0.00 C ATOM 0 H THR A 73 -6.143 -0.563 9.318 1.00 0.00 H new ATOM 0 HA THR A 73 -5.382 0.898 6.817 1.00 0.00 H new ATOM 0 HB THR A 73 -7.512 -0.043 6.692 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.614 2.414 7.391 1.00 0.00 H new ATOM 0 HG21 THR A 73 -9.469 0.501 8.168 1.00 0.00 H new ATOM 0 HG22 THR A 73 -8.220 -0.484 8.965 1.00 0.00 H new ATOM 0 HG23 THR A 73 -8.338 1.257 9.315 1.00 0.00 H new ATOM 1128 N MET A 74 -5.482 3.233 7.883 1.00 0.00 N ATOM 1129 CA MET A 74 -5.272 4.564 8.537 1.00 0.00 C ATOM 1130 C MET A 74 -6.550 4.999 9.328 1.00 0.00 C ATOM 1131 O MET A 74 -6.482 5.174 10.547 1.00 0.00 O ATOM 1132 CB MET A 74 -4.799 5.616 7.497 1.00 0.00 C ATOM 1133 CG MET A 74 -3.318 5.522 7.093 1.00 0.00 C ATOM 1134 SD MET A 74 -2.266 5.813 8.531 1.00 0.00 S ATOM 1135 CE MET A 74 -1.519 4.188 8.727 1.00 0.00 C ATOM 0 H MET A 74 -5.586 3.283 6.870 1.00 0.00 H new ATOM 0 HA MET A 74 -4.472 4.482 9.273 1.00 0.00 H new ATOM 0 HB2 MET A 74 -5.410 5.516 6.600 1.00 0.00 H new ATOM 0 HB3 MET A 74 -4.986 6.611 7.901 1.00 0.00 H new ATOM 0 HG2 MET A 74 -3.109 4.538 6.672 1.00 0.00 H new ATOM 0 HG3 MET A 74 -3.097 6.254 6.316 1.00 0.00 H new ATOM 0 HE1 MET A 74 -0.838 4.201 9.578 1.00 0.00 H new ATOM 0 HE2 MET A 74 -2.300 3.447 8.898 1.00 0.00 H new ATOM 0 HE3 MET A 74 -0.966 3.931 7.824 1.00 0.00 H new ATOM 1145 N THR A 75 -7.703 5.149 8.648 1.00 0.00 N ATOM 1146 CA THR A 75 -9.015 5.359 9.318 1.00 0.00 C ATOM 1147 C THR A 75 -9.709 3.958 9.378 1.00 0.00 C ATOM 1148 O THR A 75 -9.929 3.302 8.348 1.00 0.00 O ATOM 1149 CB THR A 75 -9.885 6.415 8.579 1.00 0.00 C ATOM 1150 OG1 THR A 75 -9.174 7.641 8.445 1.00 0.00 O ATOM 1151 CG2 THR A 75 -11.198 6.771 9.298 1.00 0.00 C ATOM 0 H THR A 75 -7.759 5.129 7.630 1.00 0.00 H new ATOM 0 HA THR A 75 -8.878 5.763 10.321 1.00 0.00 H new ATOM 0 HB THR A 75 -10.117 5.948 7.622 1.00 0.00 H new ATOM 0 HG1 THR A 75 -9.794 8.392 8.553 1.00 0.00 H new ATOM 0 HG21 THR A 75 -11.743 7.513 8.715 1.00 0.00 H new ATOM 0 HG22 THR A 75 -11.809 5.875 9.405 1.00 0.00 H new ATOM 0 HG23 THR A 75 -10.974 7.177 10.284 1.00 0.00 H new ATOM 1159 N GLY A 76 -10.016 3.502 10.599 1.00 0.00 N ATOM 1160 CA GLY A 76 -10.713 2.210 10.827 1.00 0.00 C ATOM 1161 C GLY A 76 -10.140 1.309 11.936 1.00 0.00 C ATOM 1162 O GLY A 76 -10.193 1.672 13.113 1.00 0.00 O ATOM 0 H GLY A 76 -9.794 4.007 11.457 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -11.756 2.422 11.064 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -10.706 1.648 9.893 1.00 0.00 H new ATOM 1166 N GLU A 77 -9.653 0.114 11.555 1.00 0.00 N ATOM 1167 CA GLU A 77 -9.295 -0.973 12.504 1.00 0.00 C ATOM 1168 C GLU A 77 -8.439 -2.049 11.761 1.00 0.00 C ATOM 1169 O GLU A 77 -7.207 -2.048 11.835 1.00 0.00 O ATOM 1170 CB GLU A 77 -10.538 -1.493 13.307 1.00 0.00 C ATOM 1171 CG GLU A 77 -11.737 -2.180 12.591 1.00 0.00 C ATOM 1172 CD GLU A 77 -12.361 -1.499 11.375 1.00 0.00 C ATOM 1173 OE1 GLU A 77 -11.907 -1.748 10.234 1.00 0.00 O ATOM 1174 OE2 GLU A 77 -13.308 -0.701 11.527 1.00 0.00 O ATOM 0 H GLU A 77 -9.494 -0.132 10.578 1.00 0.00 H new ATOM 0 HA GLU A 77 -8.654 -0.592 13.299 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -10.164 -2.200 14.048 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.941 -0.641 13.854 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -11.410 -3.173 12.281 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -12.525 -2.320 13.330 1.00 0.00 H new ATOM 1181 N LYS A 78 -9.105 -2.947 11.022 1.00 0.00 N ATOM 1182 CA LYS A 78 -8.478 -4.044 10.252 1.00 0.00 C ATOM 1183 C LYS A 78 -9.513 -4.534 9.196 1.00 0.00 C ATOM 1184 O LYS A 78 -10.550 -5.115 9.533 1.00 0.00 O ATOM 1185 CB LYS A 78 -7.995 -5.178 11.205 1.00 0.00 C ATOM 1186 CG LYS A 78 -6.656 -5.784 10.755 1.00 0.00 C ATOM 1187 CD LYS A 78 -6.192 -6.926 11.677 1.00 0.00 C ATOM 1188 CE LYS A 78 -4.838 -7.519 11.249 1.00 0.00 C ATOM 1189 NZ LYS A 78 -4.592 -8.763 12.024 1.00 0.00 N ATOM 0 H LYS A 78 -10.121 -2.935 10.937 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.585 -3.699 9.731 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.891 -4.782 12.215 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.751 -5.962 11.246 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.754 -6.159 9.736 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.895 -5.004 10.735 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -6.115 -6.555 12.699 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -6.945 -7.714 11.680 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.842 -7.735 10.181 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.038 -6.800 11.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -3.740 -9.235 11.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.455 -8.526 13.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -5.409 -9.400 11.927 1.00 0.00 H new ATOM 1203 N VAL A 79 -9.228 -4.285 7.912 1.00 0.00 N ATOM 1204 CA VAL A 79 -10.165 -4.578 6.795 1.00 0.00 C ATOM 1205 C VAL A 79 -9.891 -5.953 6.109 1.00 0.00 C ATOM 1206 O VAL A 79 -8.759 -6.238 5.703 1.00 0.00 O ATOM 1207 CB VAL A 79 -10.139 -3.354 5.817 1.00 0.00 C ATOM 1208 CG1 VAL A 79 -8.843 -3.133 5.008 1.00 0.00 C ATOM 1209 CG2 VAL A 79 -11.323 -3.354 4.833 1.00 0.00 C ATOM 0 H VAL A 79 -8.345 -3.875 7.607 1.00 0.00 H new ATOM 0 HA VAL A 79 -11.178 -4.698 7.180 1.00 0.00 H new ATOM 0 HB VAL A 79 -10.209 -2.523 6.519 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -8.957 -2.255 4.372 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -8.009 -2.979 5.692 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -8.647 -4.008 4.388 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -11.254 -2.484 4.180 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -11.296 -4.262 4.231 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -12.259 -3.316 5.390 1.00 0.00 H new ATOM 1219 N LYS A 80 -10.937 -6.791 5.948 1.00 0.00 N ATOM 1220 CA LYS A 80 -10.824 -8.071 5.188 1.00 0.00 C ATOM 1221 C LYS A 80 -10.998 -7.781 3.660 1.00 0.00 C ATOM 1222 O LYS A 80 -12.098 -7.801 3.104 1.00 0.00 O ATOM 1223 CB LYS A 80 -11.760 -9.164 5.771 1.00 0.00 C ATOM 1224 CG LYS A 80 -11.214 -9.779 7.084 1.00 0.00 C ATOM 1225 CD LYS A 80 -11.949 -11.049 7.544 1.00 0.00 C ATOM 1226 CE LYS A 80 -11.283 -11.691 8.780 1.00 0.00 C ATOM 1227 NZ LYS A 80 -11.870 -13.038 8.999 1.00 0.00 N ATOM 0 H LYS A 80 -11.867 -6.613 6.328 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.828 -8.498 5.304 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -12.743 -8.733 5.958 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -11.894 -9.954 5.032 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -10.158 -10.014 6.950 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -11.276 -9.031 7.875 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -12.985 -10.803 7.778 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -11.969 -11.771 6.728 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -10.206 -11.769 8.630 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -11.438 -11.065 9.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -11.818 -13.279 10.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -12.864 -13.037 8.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -11.339 -13.742 8.448 1.00 0.00 H new ATOM 1241 N THR A 81 -9.860 -7.485 3.016 1.00 0.00 N ATOM 1242 CA THR A 81 -9.776 -7.037 1.599 1.00 0.00 C ATOM 1243 C THR A 81 -9.063 -8.127 0.743 1.00 0.00 C ATOM 1244 O THR A 81 -7.840 -8.288 0.814 1.00 0.00 O ATOM 1245 CB THR A 81 -9.074 -5.635 1.593 1.00 0.00 C ATOM 1246 OG1 THR A 81 -9.103 -5.036 0.306 1.00 0.00 O ATOM 1247 CG2 THR A 81 -7.612 -5.598 2.077 1.00 0.00 C ATOM 0 H THR A 81 -8.947 -7.548 3.466 1.00 0.00 H new ATOM 0 HA THR A 81 -10.756 -6.914 1.138 1.00 0.00 H new ATOM 0 HB THR A 81 -9.668 -5.081 2.320 1.00 0.00 H new ATOM 0 HG1 THR A 81 -8.583 -5.581 -0.320 1.00 0.00 H new ATOM 0 HG21 THR A 81 -7.238 -4.576 2.026 1.00 0.00 H new ATOM 0 HG22 THR A 81 -7.560 -5.953 3.106 1.00 0.00 H new ATOM 0 HG23 THR A 81 -7.002 -6.240 1.441 1.00 0.00 H new ATOM 1255 N VAL A 82 -9.811 -8.891 -0.076 1.00 0.00 N ATOM 1256 CA VAL A 82 -9.189 -9.919 -0.968 1.00 0.00 C ATOM 1257 C VAL A 82 -8.619 -9.247 -2.259 1.00 0.00 C ATOM 1258 O VAL A 82 -9.230 -8.349 -2.852 1.00 0.00 O ATOM 1259 CB VAL A 82 -10.071 -11.186 -1.204 1.00 0.00 C ATOM 1260 CG1 VAL A 82 -11.270 -11.060 -2.155 1.00 0.00 C ATOM 1261 CG2 VAL A 82 -9.240 -12.337 -1.786 1.00 0.00 C ATOM 0 H VAL A 82 -10.827 -8.828 -0.147 1.00 0.00 H new ATOM 0 HA VAL A 82 -8.335 -10.343 -0.440 1.00 0.00 H new ATOM 0 HB VAL A 82 -10.457 -11.356 -0.199 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -11.786 -12.018 -2.219 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -11.957 -10.303 -1.776 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -10.920 -10.770 -3.146 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -9.880 -13.206 -1.940 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -8.810 -12.030 -2.739 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -8.439 -12.594 -1.093 1.00 0.00 H new ATOM 1271 N VAL A 83 -7.417 -9.674 -2.658 1.00 0.00 N ATOM 1272 CA VAL A 83 -6.680 -9.068 -3.798 1.00 0.00 C ATOM 1273 C VAL A 83 -6.734 -10.031 -5.029 1.00 0.00 C ATOM 1274 O VAL A 83 -6.469 -11.229 -4.906 1.00 0.00 O ATOM 1275 CB VAL A 83 -5.223 -8.687 -3.348 1.00 0.00 C ATOM 1276 CG1 VAL A 83 -4.539 -7.772 -4.381 1.00 0.00 C ATOM 1277 CG2 VAL A 83 -5.083 -7.970 -1.975 1.00 0.00 C ATOM 0 H VAL A 83 -6.920 -10.444 -2.210 1.00 0.00 H new ATOM 0 HA VAL A 83 -7.152 -8.138 -4.115 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.750 -9.665 -3.259 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.533 -7.527 -4.040 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.482 -8.286 -5.341 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -5.117 -6.855 -4.494 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.031 -7.761 -1.779 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -5.641 -7.034 -1.995 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -5.478 -8.612 -1.187 1.00 0.00 H new ATOM 1287 N GLN A 84 -7.093 -9.507 -6.214 1.00 0.00 N ATOM 1288 CA GLN A 84 -7.111 -10.291 -7.485 1.00 0.00 C ATOM 1289 C GLN A 84 -5.866 -9.912 -8.347 1.00 0.00 C ATOM 1290 O GLN A 84 -5.505 -8.737 -8.478 1.00 0.00 O ATOM 1291 CB GLN A 84 -8.438 -10.050 -8.256 1.00 0.00 C ATOM 1292 CG GLN A 84 -9.657 -10.924 -7.854 1.00 0.00 C ATOM 1293 CD GLN A 84 -10.150 -10.815 -6.405 1.00 0.00 C ATOM 1294 OE1 GLN A 84 -10.716 -9.816 -5.975 1.00 0.00 O ATOM 1295 NE2 GLN A 84 -9.966 -11.843 -5.611 1.00 0.00 N ATOM 0 H GLN A 84 -7.379 -8.535 -6.329 1.00 0.00 H new ATOM 0 HA GLN A 84 -7.060 -11.356 -7.257 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -8.716 -9.003 -8.132 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -8.246 -10.205 -9.318 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -10.487 -10.670 -8.513 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -9.404 -11.966 -8.047 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -9.496 -12.679 -5.959 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -10.293 -11.807 -4.645 1.00 0.00 H new ATOM 1304 N LEU A 85 -5.232 -10.929 -8.948 1.00 0.00 N ATOM 1305 CA LEU A 85 -3.977 -10.771 -9.724 1.00 0.00 C ATOM 1306 C LEU A 85 -4.161 -11.030 -11.254 1.00 0.00 C ATOM 1307 O LEU A 85 -4.625 -12.100 -11.660 1.00 0.00 O ATOM 1308 CB LEU A 85 -2.957 -11.750 -9.068 1.00 0.00 C ATOM 1309 CG LEU A 85 -1.545 -11.816 -9.698 1.00 0.00 C ATOM 1310 CD1 LEU A 85 -0.820 -10.460 -9.707 1.00 0.00 C ATOM 1311 CD2 LEU A 85 -0.679 -12.859 -8.972 1.00 0.00 C ATOM 0 H LEU A 85 -5.570 -11.891 -8.914 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.623 -9.741 -9.684 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.848 -11.474 -8.019 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.386 -12.752 -9.091 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.691 -12.109 -10.738 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.164 -10.576 -10.162 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.403 -9.740 -10.282 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.707 -10.101 -8.684 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.310 -12.892 -9.428 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -0.585 -12.586 -7.921 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.148 -13.840 -9.051 1.00 0.00 H new ATOM 1323 N GLU A 86 -3.735 -10.064 -12.088 1.00 0.00 N ATOM 1324 CA GLU A 86 -3.692 -10.219 -13.570 1.00 0.00 C ATOM 1325 C GLU A 86 -2.196 -10.210 -14.047 1.00 0.00 C ATOM 1326 O GLU A 86 -1.400 -9.324 -13.705 1.00 0.00 O ATOM 1327 CB GLU A 86 -4.525 -9.100 -14.242 1.00 0.00 C ATOM 1328 CG GLU A 86 -4.764 -9.243 -15.769 1.00 0.00 C ATOM 1329 CD GLU A 86 -5.353 -7.997 -16.416 1.00 0.00 C ATOM 1330 OE1 GLU A 86 -6.582 -7.801 -16.332 1.00 0.00 O ATOM 1331 OE2 GLU A 86 -4.586 -7.213 -17.018 1.00 0.00 O ATOM 0 H GLU A 86 -3.410 -9.153 -11.764 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.134 -11.171 -13.863 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -5.495 -9.051 -13.747 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -4.027 -8.147 -14.061 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -3.818 -9.481 -16.255 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -5.434 -10.085 -15.946 1.00 0.00 H new ATOM 1338 N GLY A 87 -1.832 -11.239 -14.831 1.00 0.00 N ATOM 1339 CA GLY A 87 -0.472 -11.384 -15.447 1.00 0.00 C ATOM 1340 C GLY A 87 0.827 -11.364 -14.607 1.00 0.00 C ATOM 1341 O GLY A 87 1.883 -10.996 -15.123 1.00 0.00 O ATOM 0 H GLY A 87 -2.464 -12.004 -15.065 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -0.476 -12.327 -15.993 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -0.378 -10.588 -16.186 1.00 0.00 H new ATOM 1345 N ASP A 88 0.734 -11.756 -13.334 1.00 0.00 N ATOM 1346 CA ASP A 88 1.841 -11.631 -12.329 1.00 0.00 C ATOM 1347 C ASP A 88 2.403 -10.169 -12.080 1.00 0.00 C ATOM 1348 O ASP A 88 3.538 -9.986 -11.631 1.00 0.00 O ATOM 1349 CB ASP A 88 2.899 -12.760 -12.512 1.00 0.00 C ATOM 1350 CG ASP A 88 3.741 -13.111 -11.275 1.00 0.00 C ATOM 1351 OD1 ASP A 88 3.235 -13.030 -10.132 1.00 0.00 O ATOM 1352 OD2 ASP A 88 4.915 -13.500 -11.447 1.00 0.00 O ATOM 0 H ASP A 88 -0.112 -12.176 -12.949 1.00 0.00 H new ATOM 0 HA ASP A 88 1.384 -11.807 -11.355 1.00 0.00 H new ATOM 0 HB2 ASP A 88 2.383 -13.662 -12.842 1.00 0.00 H new ATOM 0 HB3 ASP A 88 3.576 -12.468 -13.315 1.00 0.00 H new ATOM 1357 N ASN A 89 1.584 -9.119 -12.319 1.00 0.00 N ATOM 1358 CA ASN A 89 1.981 -7.697 -12.106 1.00 0.00 C ATOM 1359 C ASN A 89 0.858 -6.723 -11.612 1.00 0.00 C ATOM 1360 O ASN A 89 1.203 -5.732 -10.969 1.00 0.00 O ATOM 1361 CB ASN A 89 2.783 -7.142 -13.317 1.00 0.00 C ATOM 1362 CG ASN A 89 2.011 -6.603 -14.532 1.00 0.00 C ATOM 1363 OD1 ASN A 89 1.064 -7.193 -15.040 1.00 0.00 O ATOM 1364 ND2 ASN A 89 2.383 -5.444 -15.022 1.00 0.00 N ATOM 0 H ASN A 89 0.630 -9.227 -12.664 1.00 0.00 H new ATOM 0 HA ASN A 89 2.646 -7.733 -11.243 1.00 0.00 H new ATOM 0 HB2 ASN A 89 3.422 -6.339 -12.950 1.00 0.00 H new ATOM 0 HB3 ASN A 89 3.440 -7.937 -13.670 1.00 0.00 H new ATOM 0 HD21 ASN A 89 1.886 -5.043 -15.817 1.00 0.00 H new ATOM 0 HD22 ASN A 89 3.169 -4.944 -14.608 1.00 0.00 H new ATOM 1371 N LYS A 90 -0.437 -6.947 -11.906 1.00 0.00 N ATOM 1372 CA LYS A 90 -1.539 -6.026 -11.501 1.00 0.00 C ATOM 1373 C LYS A 90 -2.358 -6.626 -10.314 1.00 0.00 C ATOM 1374 O LYS A 90 -3.101 -7.595 -10.493 1.00 0.00 O ATOM 1375 CB LYS A 90 -2.471 -5.805 -12.722 1.00 0.00 C ATOM 1376 CG LYS A 90 -1.885 -5.075 -13.953 1.00 0.00 C ATOM 1377 CD LYS A 90 -2.779 -5.280 -15.194 1.00 0.00 C ATOM 1378 CE LYS A 90 -2.216 -4.746 -16.522 1.00 0.00 C ATOM 1379 NZ LYS A 90 -2.254 -3.259 -16.579 1.00 0.00 N ATOM 0 H LYS A 90 -0.757 -7.763 -12.427 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.113 -5.078 -11.172 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -2.830 -6.780 -13.050 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -3.341 -5.243 -12.382 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.792 -4.010 -13.739 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -0.881 -5.448 -14.158 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -2.973 -6.347 -15.306 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -3.740 -4.799 -15.009 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -1.189 -5.089 -16.645 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -2.791 -5.157 -17.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -1.635 -2.925 -17.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -3.228 -2.943 -16.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -1.925 -2.868 -15.673 1.00 0.00 H new ATOM 1393 N LEU A 91 -2.245 -6.032 -9.118 1.00 0.00 N ATOM 1394 CA LEU A 91 -2.992 -6.470 -7.905 1.00 0.00 C ATOM 1395 C LEU A 91 -4.153 -5.471 -7.595 1.00 0.00 C ATOM 1396 O LEU A 91 -3.905 -4.306 -7.268 1.00 0.00 O ATOM 1397 CB LEU A 91 -1.993 -6.553 -6.720 1.00 0.00 C ATOM 1398 CG LEU A 91 -1.058 -7.786 -6.652 1.00 0.00 C ATOM 1399 CD1 LEU A 91 -0.015 -7.546 -5.553 1.00 0.00 C ATOM 1400 CD2 LEU A 91 -1.788 -9.109 -6.358 1.00 0.00 C ATOM 0 H LEU A 91 -1.635 -5.232 -8.952 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.440 -7.450 -8.070 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.369 -5.660 -6.744 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.567 -6.516 -5.794 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.604 -7.892 -7.637 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.653 -8.405 -5.491 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.564 -6.653 -5.789 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.519 -7.409 -4.596 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -1.065 -9.924 -6.326 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.297 -9.038 -5.397 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -2.520 -9.303 -7.142 1.00 0.00 H new ATOM 1412 N VAL A 92 -5.417 -5.924 -7.667 1.00 0.00 N ATOM 1413 CA VAL A 92 -6.613 -5.046 -7.455 1.00 0.00 C ATOM 1414 C VAL A 92 -7.458 -5.493 -6.213 1.00 0.00 C ATOM 1415 O VAL A 92 -7.809 -6.673 -6.093 1.00 0.00 O ATOM 1416 CB VAL A 92 -7.472 -4.907 -8.763 1.00 0.00 C ATOM 1417 CG1 VAL A 92 -6.708 -4.234 -9.927 1.00 0.00 C ATOM 1418 CG2 VAL A 92 -8.120 -6.208 -9.295 1.00 0.00 C ATOM 0 H VAL A 92 -5.652 -6.896 -7.871 1.00 0.00 H new ATOM 0 HA VAL A 92 -6.245 -4.046 -7.223 1.00 0.00 H new ATOM 0 HB VAL A 92 -8.282 -4.264 -8.419 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -7.358 -4.169 -10.800 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.400 -3.232 -9.629 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.827 -4.826 -10.174 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -8.687 -5.989 -10.200 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -7.341 -6.936 -9.523 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -8.789 -6.617 -8.538 1.00 0.00 H new ATOM 1428 N THR A 93 -7.812 -4.562 -5.296 1.00 0.00 N ATOM 1429 CA THR A 93 -8.653 -4.886 -4.096 1.00 0.00 C ATOM 1430 C THR A 93 -9.695 -3.768 -3.734 1.00 0.00 C ATOM 1431 O THR A 93 -9.692 -2.651 -4.267 1.00 0.00 O ATOM 1432 CB THR A 93 -7.766 -5.370 -2.900 1.00 0.00 C ATOM 1433 OG1 THR A 93 -8.560 -6.097 -1.964 1.00 0.00 O ATOM 1434 CG2 THR A 93 -6.992 -4.303 -2.106 1.00 0.00 C ATOM 0 H THR A 93 -7.535 -3.582 -5.354 1.00 0.00 H new ATOM 0 HA THR A 93 -9.287 -5.732 -4.362 1.00 0.00 H new ATOM 0 HB THR A 93 -7.008 -5.973 -3.399 1.00 0.00 H new ATOM 0 HG1 THR A 93 -9.084 -6.776 -2.438 1.00 0.00 H new ATOM 0 HG21 THR A 93 -6.423 -4.783 -1.310 1.00 0.00 H new ATOM 0 HG22 THR A 93 -6.310 -3.777 -2.773 1.00 0.00 H new ATOM 0 HG23 THR A 93 -7.695 -3.592 -1.671 1.00 0.00 H new ATOM 1442 N THR A 94 -10.644 -4.128 -2.854 1.00 0.00 N ATOM 1443 CA THR A 94 -11.700 -3.211 -2.326 1.00 0.00 C ATOM 1444 C THR A 94 -11.421 -3.034 -0.798 1.00 0.00 C ATOM 1445 O THR A 94 -11.732 -3.917 0.007 1.00 0.00 O ATOM 1446 CB THR A 94 -13.120 -3.794 -2.617 1.00 0.00 C ATOM 1447 OG1 THR A 94 -13.320 -4.048 -4.005 1.00 0.00 O ATOM 1448 CG2 THR A 94 -14.274 -2.868 -2.198 1.00 0.00 C ATOM 0 H THR A 94 -10.711 -5.073 -2.477 1.00 0.00 H new ATOM 0 HA THR A 94 -11.673 -2.237 -2.814 1.00 0.00 H new ATOM 0 HB THR A 94 -13.141 -4.709 -2.025 1.00 0.00 H new ATOM 0 HG1 THR A 94 -13.956 -3.397 -4.368 1.00 0.00 H new ATOM 0 HG21 THR A 94 -15.226 -3.344 -2.433 1.00 0.00 H new ATOM 0 HG22 THR A 94 -14.218 -2.679 -1.126 1.00 0.00 H new ATOM 0 HG23 THR A 94 -14.197 -1.924 -2.738 1.00 0.00 H new ATOM 1456 N PHE A 95 -10.835 -1.890 -0.408 1.00 0.00 N ATOM 1457 CA PHE A 95 -10.402 -1.628 0.997 1.00 0.00 C ATOM 1458 C PHE A 95 -11.567 -0.987 1.849 1.00 0.00 C ATOM 1459 O PHE A 95 -12.709 -1.454 1.781 1.00 0.00 O ATOM 1460 CB PHE A 95 -9.088 -0.800 0.798 1.00 0.00 C ATOM 1461 CG PHE A 95 -8.038 -0.855 1.909 1.00 0.00 C ATOM 1462 CD1 PHE A 95 -7.156 -1.936 1.943 1.00 0.00 C ATOM 1463 CD2 PHE A 95 -7.893 0.177 2.842 1.00 0.00 C ATOM 1464 CE1 PHE A 95 -6.197 -2.033 2.948 1.00 0.00 C ATOM 1465 CE2 PHE A 95 -6.919 0.091 3.833 1.00 0.00 C ATOM 1466 CZ PHE A 95 -6.089 -1.025 3.902 1.00 0.00 C ATOM 0 H PHE A 95 -10.644 -1.117 -1.045 1.00 0.00 H new ATOM 0 HA PHE A 95 -10.184 -2.505 1.607 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -8.617 -1.136 -0.126 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -9.368 0.243 0.652 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -7.218 -2.703 1.185 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -8.538 1.042 2.794 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -5.539 -2.888 2.987 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -6.807 0.891 4.550 1.00 0.00 H new ATOM 0 HZ PHE A 95 -5.361 -1.109 4.696 1.00 0.00 H new ATOM 1476 N LYS A 96 -11.323 0.061 2.666 1.00 0.00 N ATOM 1477 CA LYS A 96 -12.401 0.790 3.412 1.00 0.00 C ATOM 1478 C LYS A 96 -13.044 1.848 2.447 1.00 0.00 C ATOM 1479 O LYS A 96 -12.699 3.033 2.481 1.00 0.00 O ATOM 1480 CB LYS A 96 -11.809 1.470 4.685 1.00 0.00 C ATOM 1481 CG LYS A 96 -11.181 0.588 5.790 1.00 0.00 C ATOM 1482 CD LYS A 96 -12.138 -0.215 6.702 1.00 0.00 C ATOM 1483 CE LYS A 96 -12.972 0.626 7.689 1.00 0.00 C ATOM 1484 NZ LYS A 96 -13.564 -0.270 8.723 1.00 0.00 N ATOM 0 H LYS A 96 -10.387 0.431 2.834 1.00 0.00 H new ATOM 0 HA LYS A 96 -13.171 0.093 3.743 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -11.046 2.175 4.355 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -12.606 2.054 5.145 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -10.504 -0.119 5.310 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -10.573 1.231 6.426 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -12.820 -0.786 6.072 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -11.551 -0.936 7.271 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -12.344 1.381 8.162 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -13.761 1.156 7.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -13.846 0.294 9.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -14.399 -0.750 8.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -12.861 -0.980 9.011 1.00 0.00 H new ATOM 1498 N ASN A 97 -13.944 1.408 1.540 1.00 0.00 N ATOM 1499 CA ASN A 97 -14.515 2.254 0.447 1.00 0.00 C ATOM 1500 C ASN A 97 -13.466 2.916 -0.538 1.00 0.00 C ATOM 1501 O ASN A 97 -13.692 4.000 -1.082 1.00 0.00 O ATOM 1502 CB ASN A 97 -15.581 3.224 1.024 1.00 0.00 C ATOM 1503 CG ASN A 97 -16.779 2.595 1.752 1.00 0.00 C ATOM 1504 OD1 ASN A 97 -16.743 2.324 2.947 1.00 0.00 O ATOM 1505 ND2 ASN A 97 -17.870 2.336 1.071 1.00 0.00 N ATOM 0 H ASN A 97 -14.302 0.453 1.538 1.00 0.00 H new ATOM 0 HA ASN A 97 -15.024 1.575 -0.237 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -15.082 3.902 1.717 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -15.964 3.832 0.204 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -18.674 1.915 1.537 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -17.914 2.556 0.076 1.00 0.00 H new ATOM 1512 N ILE A 98 -12.337 2.225 -0.791 1.00 0.00 N ATOM 1513 CA ILE A 98 -11.204 2.720 -1.629 1.00 0.00 C ATOM 1514 C ILE A 98 -10.838 1.558 -2.614 1.00 0.00 C ATOM 1515 O ILE A 98 -10.596 0.418 -2.189 1.00 0.00 O ATOM 1516 CB ILE A 98 -9.966 3.108 -0.730 1.00 0.00 C ATOM 1517 CG1 ILE A 98 -10.225 4.184 0.373 1.00 0.00 C ATOM 1518 CG2 ILE A 98 -8.726 3.556 -1.548 1.00 0.00 C ATOM 1519 CD1 ILE A 98 -9.510 3.895 1.705 1.00 0.00 C ATOM 0 H ILE A 98 -12.175 1.290 -0.417 1.00 0.00 H new ATOM 0 HA ILE A 98 -11.486 3.620 -2.175 1.00 0.00 H new ATOM 0 HB ILE A 98 -9.771 2.162 -0.225 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -9.901 5.156 0.002 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -11.297 4.253 0.555 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -7.913 3.808 -0.867 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -8.411 2.745 -2.205 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -8.982 4.430 -2.147 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -9.738 4.686 2.420 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -9.851 2.938 2.101 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -8.433 3.856 1.539 1.00 0.00 H new ATOM 1531 N LYS A 99 -10.754 1.843 -3.926 1.00 0.00 N ATOM 1532 CA LYS A 99 -10.302 0.835 -4.924 1.00 0.00 C ATOM 1533 C LYS A 99 -8.748 0.940 -5.081 1.00 0.00 C ATOM 1534 O LYS A 99 -8.231 1.856 -5.736 1.00 0.00 O ATOM 1535 CB LYS A 99 -11.115 1.014 -6.232 1.00 0.00 C ATOM 1536 CG LYS A 99 -10.874 -0.084 -7.306 1.00 0.00 C ATOM 1537 CD LYS A 99 -12.116 -0.924 -7.688 1.00 0.00 C ATOM 1538 CE LYS A 99 -12.770 -1.760 -6.566 1.00 0.00 C ATOM 1539 NZ LYS A 99 -11.904 -2.883 -6.117 1.00 0.00 N ATOM 0 H LYS A 99 -10.989 2.752 -4.325 1.00 0.00 H new ATOM 0 HA LYS A 99 -10.498 -0.187 -4.599 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -12.176 1.033 -5.984 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -10.872 1.985 -6.664 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -10.487 0.392 -8.207 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -10.098 -0.758 -6.944 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -12.871 -0.249 -8.091 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -11.832 -1.601 -8.493 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -12.991 -1.113 -5.717 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -13.721 -2.157 -6.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -12.437 -3.492 -5.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -11.602 -3.440 -6.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -11.067 -2.503 -5.631 1.00 0.00 H new ATOM 1553 N SER A 100 -8.019 0.003 -4.447 1.00 0.00 N ATOM 1554 CA SER A 100 -6.534 -0.022 -4.467 1.00 0.00 C ATOM 1555 C SER A 100 -5.997 -0.863 -5.661 1.00 0.00 C ATOM 1556 O SER A 100 -6.222 -2.075 -5.737 1.00 0.00 O ATOM 1557 CB SER A 100 -6.039 -0.540 -3.099 1.00 0.00 C ATOM 1558 OG SER A 100 -4.615 -0.454 -2.996 1.00 0.00 O ATOM 0 H SER A 100 -8.434 -0.757 -3.908 1.00 0.00 H new ATOM 0 HA SER A 100 -6.143 0.984 -4.622 1.00 0.00 H new ATOM 0 HB2 SER A 100 -6.499 0.040 -2.300 1.00 0.00 H new ATOM 0 HB3 SER A 100 -6.354 -1.575 -2.964 1.00 0.00 H new ATOM 0 HG SER A 100 -4.330 -0.787 -2.120 1.00 0.00 H new ATOM 1564 N VAL A 101 -5.286 -0.192 -6.577 1.00 0.00 N ATOM 1565 CA VAL A 101 -4.706 -0.813 -7.802 1.00 0.00 C ATOM 1566 C VAL A 101 -3.152 -0.750 -7.652 1.00 0.00 C ATOM 1567 O VAL A 101 -2.556 0.326 -7.771 1.00 0.00 O ATOM 1568 CB VAL A 101 -5.233 -0.049 -9.071 1.00 0.00 C ATOM 1569 CG1 VAL A 101 -4.566 -0.509 -10.388 1.00 0.00 C ATOM 1570 CG2 VAL A 101 -6.767 -0.133 -9.271 1.00 0.00 C ATOM 0 H VAL A 101 -5.089 0.806 -6.499 1.00 0.00 H new ATOM 0 HA VAL A 101 -5.005 -1.854 -7.924 1.00 0.00 H new ATOM 0 HB VAL A 101 -4.957 0.984 -8.857 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -4.977 0.060 -11.222 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -3.491 -0.341 -10.329 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -4.760 -1.571 -10.542 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -7.048 0.420 -10.168 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -7.063 -1.176 -9.380 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -7.271 0.298 -8.406 1.00 0.00 H new ATOM 1580 N THR A 102 -2.489 -1.892 -7.416 1.00 0.00 N ATOM 1581 CA THR A 102 -1.008 -1.944 -7.242 1.00 0.00 C ATOM 1582 C THR A 102 -0.355 -2.601 -8.503 1.00 0.00 C ATOM 1583 O THR A 102 -0.541 -3.804 -8.718 1.00 0.00 O ATOM 1584 CB THR A 102 -0.630 -2.644 -5.899 1.00 0.00 C ATOM 1585 OG1 THR A 102 -1.403 -2.157 -4.802 1.00 0.00 O ATOM 1586 CG2 THR A 102 0.847 -2.466 -5.525 1.00 0.00 C ATOM 0 H THR A 102 -2.946 -2.801 -7.339 1.00 0.00 H new ATOM 0 HA THR A 102 -0.605 -0.934 -7.167 1.00 0.00 H new ATOM 0 HB THR A 102 -0.839 -3.699 -6.076 1.00 0.00 H new ATOM 0 HG1 THR A 102 -0.956 -1.380 -4.406 1.00 0.00 H new ATOM 0 HG21 THR A 102 1.047 -2.975 -4.582 1.00 0.00 H new ATOM 0 HG22 THR A 102 1.474 -2.892 -6.308 1.00 0.00 H new ATOM 0 HG23 THR A 102 1.070 -1.404 -5.419 1.00 0.00 H new ATOM 1594 N GLU A 103 0.396 -1.841 -9.334 1.00 0.00 N ATOM 1595 CA GLU A 103 1.014 -2.393 -10.576 1.00 0.00 C ATOM 1596 C GLU A 103 2.571 -2.454 -10.505 1.00 0.00 C ATOM 1597 O GLU A 103 3.239 -1.494 -10.108 1.00 0.00 O ATOM 1598 CB GLU A 103 0.558 -1.576 -11.812 1.00 0.00 C ATOM 1599 CG GLU A 103 0.802 -2.300 -13.165 1.00 0.00 C ATOM 1600 CD GLU A 103 0.296 -1.555 -14.383 1.00 0.00 C ATOM 1601 OE1 GLU A 103 0.960 -0.591 -14.816 1.00 0.00 O ATOM 1602 OE2 GLU A 103 -0.752 -1.954 -14.935 1.00 0.00 O ATOM 0 H GLU A 103 0.591 -0.853 -9.175 1.00 0.00 H new ATOM 0 HA GLU A 103 0.666 -3.422 -10.672 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -0.504 -1.352 -11.716 1.00 0.00 H new ATOM 0 HB3 GLU A 103 1.085 -0.622 -11.820 1.00 0.00 H new ATOM 0 HG2 GLU A 103 1.872 -2.473 -13.281 1.00 0.00 H new ATOM 0 HG3 GLU A 103 0.323 -3.278 -13.129 1.00 0.00 H new ATOM 1609 N LEU A 104 3.137 -3.578 -10.966 1.00 0.00 N ATOM 1610 CA LEU A 104 4.606 -3.780 -11.054 1.00 0.00 C ATOM 1611 C LEU A 104 5.063 -3.586 -12.538 1.00 0.00 C ATOM 1612 O LEU A 104 4.695 -4.365 -13.424 1.00 0.00 O ATOM 1613 CB LEU A 104 4.965 -5.185 -10.483 1.00 0.00 C ATOM 1614 CG LEU A 104 6.247 -5.279 -9.617 1.00 0.00 C ATOM 1615 CD1 LEU A 104 6.509 -6.749 -9.272 1.00 0.00 C ATOM 1616 CD2 LEU A 104 7.514 -4.712 -10.276 1.00 0.00 C ATOM 0 H LEU A 104 2.596 -4.379 -11.291 1.00 0.00 H new ATOM 0 HA LEU A 104 5.141 -3.044 -10.454 1.00 0.00 H new ATOM 0 HB2 LEU A 104 4.124 -5.534 -9.884 1.00 0.00 H new ATOM 0 HB3 LEU A 104 5.069 -5.876 -11.320 1.00 0.00 H new ATOM 0 HG LEU A 104 6.052 -4.667 -8.736 1.00 0.00 H new ATOM 0 HD11 LEU A 104 7.410 -6.825 -8.663 1.00 0.00 H new ATOM 0 HD12 LEU A 104 5.661 -7.149 -8.717 1.00 0.00 H new ATOM 0 HD13 LEU A 104 6.644 -7.320 -10.191 1.00 0.00 H new ATOM 0 HD21 LEU A 104 8.358 -4.822 -9.595 1.00 0.00 H new ATOM 0 HD22 LEU A 104 7.718 -5.255 -11.199 1.00 0.00 H new ATOM 0 HD23 LEU A 104 7.365 -3.656 -10.502 1.00 0.00 H new ATOM 1628 N ASN A 105 5.855 -2.540 -12.824 1.00 0.00 N ATOM 1629 CA ASN A 105 6.364 -2.264 -14.201 1.00 0.00 C ATOM 1630 C ASN A 105 7.876 -2.653 -14.280 1.00 0.00 C ATOM 1631 O ASN A 105 8.767 -1.817 -14.096 1.00 0.00 O ATOM 1632 CB ASN A 105 6.052 -0.783 -14.555 1.00 0.00 C ATOM 1633 CG ASN A 105 4.603 -0.517 -14.990 1.00 0.00 C ATOM 1634 OD1 ASN A 105 4.275 -0.574 -16.169 1.00 0.00 O ATOM 1635 ND2 ASN A 105 3.701 -0.242 -14.076 1.00 0.00 N ATOM 0 H ASN A 105 6.164 -1.863 -12.126 1.00 0.00 H new ATOM 0 HA ASN A 105 5.865 -2.872 -14.955 1.00 0.00 H new ATOM 0 HB2 ASN A 105 6.276 -0.162 -13.688 1.00 0.00 H new ATOM 0 HB3 ASN A 105 6.721 -0.467 -15.355 1.00 0.00 H new ATOM 0 HD21 ASN A 105 2.732 -0.077 -14.349 1.00 0.00 H new ATOM 0 HD22 ASN A 105 3.969 -0.193 -13.093 1.00 0.00 H new ATOM 1642 N GLY A 106 8.158 -3.946 -14.539 1.00 0.00 N ATOM 1643 CA GLY A 106 9.550 -4.480 -14.566 1.00 0.00 C ATOM 1644 C GLY A 106 10.114 -4.709 -13.149 1.00 0.00 C ATOM 1645 O GLY A 106 9.839 -5.741 -12.534 1.00 0.00 O ATOM 0 H GLY A 106 7.443 -4.647 -14.734 1.00 0.00 H new ATOM 0 HA2 GLY A 106 9.566 -5.420 -15.118 1.00 0.00 H new ATOM 0 HA3 GLY A 106 10.194 -3.784 -15.103 1.00 0.00 H new ATOM 1649 N ASP A 107 10.876 -3.726 -12.648 1.00 0.00 N ATOM 1650 CA ASP A 107 11.374 -3.717 -11.236 1.00 0.00 C ATOM 1651 C ASP A 107 11.024 -2.389 -10.452 1.00 0.00 C ATOM 1652 O ASP A 107 11.756 -1.956 -9.553 1.00 0.00 O ATOM 1653 CB ASP A 107 12.884 -4.091 -11.230 1.00 0.00 C ATOM 1654 CG ASP A 107 13.203 -5.565 -11.502 1.00 0.00 C ATOM 1655 OD1 ASP A 107 12.601 -6.455 -10.857 1.00 0.00 O ATOM 1656 OD2 ASP A 107 14.080 -5.837 -12.347 1.00 0.00 O ATOM 0 H ASP A 107 11.171 -2.915 -13.192 1.00 0.00 H new ATOM 0 HA ASP A 107 10.840 -4.478 -10.667 1.00 0.00 H new ATOM 0 HB2 ASP A 107 13.393 -3.484 -11.978 1.00 0.00 H new ATOM 0 HB3 ASP A 107 13.303 -3.820 -10.261 1.00 0.00 H new ATOM 1661 N ILE A 108 9.871 -1.756 -10.754 1.00 0.00 N ATOM 1662 CA ILE A 108 9.345 -0.562 -10.036 1.00 0.00 C ATOM 1663 C ILE A 108 7.833 -0.823 -9.745 1.00 0.00 C ATOM 1664 O ILE A 108 7.061 -1.140 -10.659 1.00 0.00 O ATOM 1665 CB ILE A 108 9.637 0.815 -10.711 1.00 0.00 C ATOM 1666 CG1 ILE A 108 8.859 1.105 -12.017 1.00 0.00 C ATOM 1667 CG2 ILE A 108 11.144 1.102 -10.912 1.00 0.00 C ATOM 1668 CD1 ILE A 108 7.569 1.908 -11.789 1.00 0.00 C ATOM 0 H ILE A 108 9.265 -2.061 -11.516 1.00 0.00 H new ATOM 0 HA ILE A 108 9.894 -0.451 -9.101 1.00 0.00 H new ATOM 0 HB ILE A 108 9.248 1.512 -9.969 1.00 0.00 H new ATOM 0 HG12 ILE A 108 9.505 1.654 -12.702 1.00 0.00 H new ATOM 0 HG13 ILE A 108 8.610 0.161 -12.501 1.00 0.00 H new ATOM 0 HG21 ILE A 108 11.269 2.076 -11.386 1.00 0.00 H new ATOM 0 HG22 ILE A 108 11.647 1.102 -9.945 1.00 0.00 H new ATOM 0 HG23 ILE A 108 11.580 0.331 -11.547 1.00 0.00 H new ATOM 0 HD11 ILE A 108 7.072 2.077 -12.744 1.00 0.00 H new ATOM 0 HD12 ILE A 108 6.905 1.350 -11.128 1.00 0.00 H new ATOM 0 HD13 ILE A 108 7.813 2.867 -11.332 1.00 0.00 H new ATOM 1680 N ILE A 109 7.401 -0.688 -8.485 1.00 0.00 N ATOM 1681 CA ILE A 109 5.982 -0.912 -8.086 1.00 0.00 C ATOM 1682 C ILE A 109 5.238 0.432 -7.826 1.00 0.00 C ATOM 1683 O ILE A 109 5.757 1.327 -7.147 1.00 0.00 O ATOM 1684 CB ILE A 109 5.915 -1.919 -6.882 1.00 0.00 C ATOM 1685 CG1 ILE A 109 4.502 -2.549 -6.723 1.00 0.00 C ATOM 1686 CG2 ILE A 109 6.399 -1.325 -5.529 1.00 0.00 C ATOM 1687 CD1 ILE A 109 4.466 -3.801 -5.833 1.00 0.00 C ATOM 0 H ILE A 109 8.009 -0.423 -7.710 1.00 0.00 H new ATOM 0 HA ILE A 109 5.445 -1.375 -8.914 1.00 0.00 H new ATOM 0 HB ILE A 109 6.622 -2.706 -7.144 1.00 0.00 H new ATOM 0 HG12 ILE A 109 3.828 -1.801 -6.306 1.00 0.00 H new ATOM 0 HG13 ILE A 109 4.119 -2.808 -7.710 1.00 0.00 H new ATOM 0 HG21 ILE A 109 6.321 -2.083 -4.750 1.00 0.00 H new ATOM 0 HG22 ILE A 109 7.437 -1.006 -5.622 1.00 0.00 H new ATOM 0 HG23 ILE A 109 5.779 -0.469 -5.265 1.00 0.00 H new ATOM 0 HD11 ILE A 109 3.445 -4.177 -5.775 1.00 0.00 H new ATOM 0 HD12 ILE A 109 5.112 -4.569 -6.259 1.00 0.00 H new ATOM 0 HD13 ILE A 109 4.816 -3.547 -4.833 1.00 0.00 H new ATOM 1699 N THR A 110 4.007 0.559 -8.347 1.00 0.00 N ATOM 1700 CA THR A 110 3.129 1.726 -8.057 1.00 0.00 C ATOM 1701 C THR A 110 1.886 1.276 -7.245 1.00 0.00 C ATOM 1702 O THR A 110 1.197 0.345 -7.658 1.00 0.00 O ATOM 1703 CB THR A 110 2.772 2.541 -9.335 1.00 0.00 C ATOM 1704 OG1 THR A 110 2.421 3.880 -8.977 1.00 0.00 O ATOM 1705 CG2 THR A 110 1.642 2.012 -10.227 1.00 0.00 C ATOM 0 H THR A 110 3.588 -0.128 -8.973 1.00 0.00 H new ATOM 0 HA THR A 110 3.688 2.424 -7.433 1.00 0.00 H new ATOM 0 HB THR A 110 3.683 2.458 -9.927 1.00 0.00 H new ATOM 0 HG1 THR A 110 2.542 4.003 -8.012 1.00 0.00 H new ATOM 0 HG21 THR A 110 1.506 2.681 -11.077 1.00 0.00 H new ATOM 0 HG22 THR A 110 1.899 1.016 -10.587 1.00 0.00 H new ATOM 0 HG23 THR A 110 0.717 1.963 -9.652 1.00 0.00 H new ATOM 1713 N ASN A 111 1.576 1.944 -6.126 1.00 0.00 N ATOM 1714 CA ASN A 111 0.366 1.631 -5.314 1.00 0.00 C ATOM 1715 C ASN A 111 -0.649 2.796 -5.492 1.00 0.00 C ATOM 1716 O ASN A 111 -0.469 3.867 -4.905 1.00 0.00 O ATOM 1717 CB ASN A 111 0.798 1.374 -3.849 1.00 0.00 C ATOM 1718 CG ASN A 111 -0.272 0.676 -3.013 1.00 0.00 C ATOM 1719 OD1 ASN A 111 -0.455 -0.533 -3.094 1.00 0.00 O ATOM 1720 ND2 ASN A 111 -1.033 1.397 -2.229 1.00 0.00 N ATOM 0 H ASN A 111 2.140 2.707 -5.752 1.00 0.00 H new ATOM 0 HA ASN A 111 -0.137 0.721 -5.643 1.00 0.00 H new ATOM 0 HB2 ASN A 111 1.703 0.767 -3.847 1.00 0.00 H new ATOM 0 HB3 ASN A 111 1.051 2.325 -3.381 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -1.775 0.952 -1.688 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -0.884 2.404 -2.159 1.00 0.00 H new ATOM 1727 N THR A 112 -1.691 2.587 -6.316 1.00 0.00 N ATOM 1728 CA THR A 112 -2.689 3.642 -6.655 1.00 0.00 C ATOM 1729 C THR A 112 -4.022 3.417 -5.870 1.00 0.00 C ATOM 1730 O THR A 112 -4.872 2.606 -6.252 1.00 0.00 O ATOM 1731 CB THR A 112 -2.876 3.671 -8.204 1.00 0.00 C ATOM 1732 OG1 THR A 112 -1.620 3.699 -8.879 1.00 0.00 O ATOM 1733 CG2 THR A 112 -3.647 4.893 -8.716 1.00 0.00 C ATOM 0 H THR A 112 -1.873 1.691 -6.768 1.00 0.00 H new ATOM 0 HA THR A 112 -2.331 4.624 -6.345 1.00 0.00 H new ATOM 0 HB THR A 112 -3.442 2.763 -8.415 1.00 0.00 H new ATOM 0 HG1 THR A 112 -1.769 3.715 -9.847 1.00 0.00 H new ATOM 0 HG21 THR A 112 -3.735 4.839 -9.801 1.00 0.00 H new ATOM 0 HG22 THR A 112 -4.642 4.908 -8.272 1.00 0.00 H new ATOM 0 HG23 THR A 112 -3.113 5.802 -8.440 1.00 0.00 H new ATOM 1741 N MET A 113 -4.199 4.157 -4.767 1.00 0.00 N ATOM 1742 CA MET A 113 -5.422 4.099 -3.919 1.00 0.00 C ATOM 1743 C MET A 113 -6.455 5.160 -4.400 1.00 0.00 C ATOM 1744 O MET A 113 -6.344 6.360 -4.124 1.00 0.00 O ATOM 1745 CB MET A 113 -5.018 4.274 -2.436 1.00 0.00 C ATOM 1746 CG MET A 113 -4.505 2.983 -1.776 1.00 0.00 C ATOM 1747 SD MET A 113 -3.920 3.340 -0.113 1.00 0.00 S ATOM 1748 CE MET A 113 -3.699 1.655 0.473 1.00 0.00 C ATOM 0 H MET A 113 -3.501 4.819 -4.427 1.00 0.00 H new ATOM 0 HA MET A 113 -5.910 3.129 -4.013 1.00 0.00 H new ATOM 0 HB2 MET A 113 -4.244 5.038 -2.368 1.00 0.00 H new ATOM 0 HB3 MET A 113 -5.878 4.641 -1.876 1.00 0.00 H new ATOM 0 HG2 MET A 113 -5.302 2.241 -1.739 1.00 0.00 H new ATOM 0 HG3 MET A 113 -3.698 2.555 -2.371 1.00 0.00 H new ATOM 0 HE1 MET A 113 -4.050 1.579 1.502 1.00 0.00 H new ATOM 0 HE2 MET A 113 -4.271 0.973 -0.156 1.00 0.00 H new ATOM 0 HE3 MET A 113 -2.643 1.390 0.429 1.00 0.00 H new ATOM 1758 N THR A 114 -7.467 4.677 -5.132 1.00 0.00 N ATOM 1759 CA THR A 114 -8.507 5.538 -5.759 1.00 0.00 C ATOM 1760 C THR A 114 -9.769 5.663 -4.845 1.00 0.00 C ATOM 1761 O THR A 114 -10.516 4.700 -4.634 1.00 0.00 O ATOM 1762 CB THR A 114 -8.850 5.051 -7.203 1.00 0.00 C ATOM 1763 OG1 THR A 114 -9.390 3.736 -7.213 1.00 0.00 O ATOM 1764 CG2 THR A 114 -7.679 5.052 -8.197 1.00 0.00 C ATOM 0 H THR A 114 -7.598 3.682 -5.313 1.00 0.00 H new ATOM 0 HA THR A 114 -8.099 6.544 -5.860 1.00 0.00 H new ATOM 0 HB THR A 114 -9.579 5.793 -7.530 1.00 0.00 H new ATOM 0 HG1 THR A 114 -8.727 3.107 -6.859 1.00 0.00 H new ATOM 0 HG21 THR A 114 -8.025 4.697 -9.168 1.00 0.00 H new ATOM 0 HG22 THR A 114 -7.289 6.065 -8.299 1.00 0.00 H new ATOM 0 HG23 THR A 114 -6.890 4.395 -7.831 1.00 0.00 H new ATOM 1772 N LEU A 115 -9.983 6.866 -4.289 1.00 0.00 N ATOM 1773 CA LEU A 115 -11.167 7.194 -3.446 1.00 0.00 C ATOM 1774 C LEU A 115 -12.052 8.227 -4.217 1.00 0.00 C ATOM 1775 O LEU A 115 -12.007 9.434 -3.954 1.00 0.00 O ATOM 1776 CB LEU A 115 -10.613 7.657 -2.066 1.00 0.00 C ATOM 1777 CG LEU A 115 -11.618 8.188 -1.010 1.00 0.00 C ATOM 1778 CD1 LEU A 115 -12.678 7.153 -0.594 1.00 0.00 C ATOM 1779 CD2 LEU A 115 -10.852 8.669 0.233 1.00 0.00 C ATOM 0 H LEU A 115 -9.341 7.650 -4.406 1.00 0.00 H new ATOM 0 HA LEU A 115 -11.833 6.354 -3.249 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -10.079 6.816 -1.623 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -9.878 8.441 -2.249 1.00 0.00 H new ATOM 0 HG LEU A 115 -12.155 9.013 -1.478 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -13.346 7.594 0.146 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -13.254 6.851 -1.468 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -12.186 6.280 -0.165 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -11.559 9.042 0.974 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -10.287 7.839 0.656 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -10.166 9.468 -0.049 1.00 0.00 H new ATOM 1791 N GLY A 116 -12.844 7.739 -5.198 1.00 0.00 N ATOM 1792 CA GLY A 116 -13.696 8.606 -6.062 1.00 0.00 C ATOM 1793 C GLY A 116 -12.899 9.524 -7.017 1.00 0.00 C ATOM 1794 O GLY A 116 -12.478 9.105 -8.097 1.00 0.00 O ATOM 0 H GLY A 116 -12.915 6.745 -5.416 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -14.358 7.973 -6.653 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -14.329 9.224 -5.426 1.00 0.00 H new ATOM 1798 N ASP A 117 -12.696 10.765 -6.568 1.00 0.00 N ATOM 1799 CA ASP A 117 -11.846 11.774 -7.272 1.00 0.00 C ATOM 1800 C ASP A 117 -10.348 11.793 -6.785 1.00 0.00 C ATOM 1801 O ASP A 117 -9.455 12.180 -7.545 1.00 0.00 O ATOM 1802 CB ASP A 117 -12.486 13.178 -7.096 1.00 0.00 C ATOM 1803 CG ASP A 117 -13.833 13.385 -7.790 1.00 0.00 C ATOM 1804 OD1 ASP A 117 -13.849 13.602 -9.020 1.00 0.00 O ATOM 1805 OD2 ASP A 117 -14.876 13.338 -7.103 1.00 0.00 O ATOM 0 H ASP A 117 -13.110 11.116 -5.705 1.00 0.00 H new ATOM 0 HA ASP A 117 -11.811 11.490 -8.324 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -12.614 13.367 -6.030 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -11.787 13.925 -7.471 1.00 0.00 H new ATOM 1810 N ILE A 118 -10.061 11.391 -5.529 1.00 0.00 N ATOM 1811 CA ILE A 118 -8.694 11.385 -4.941 1.00 0.00 C ATOM 1812 C ILE A 118 -7.897 10.130 -5.446 1.00 0.00 C ATOM 1813 O ILE A 118 -8.304 8.987 -5.208 1.00 0.00 O ATOM 1814 CB ILE A 118 -8.786 11.385 -3.373 1.00 0.00 C ATOM 1815 CG1 ILE A 118 -9.726 12.419 -2.674 1.00 0.00 C ATOM 1816 CG2 ILE A 118 -7.379 11.445 -2.726 1.00 0.00 C ATOM 1817 CD1 ILE A 118 -9.294 13.894 -2.679 1.00 0.00 C ATOM 0 H ILE A 118 -10.776 11.057 -4.883 1.00 0.00 H new ATOM 0 HA ILE A 118 -8.164 12.283 -5.259 1.00 0.00 H new ATOM 0 HB ILE A 118 -9.282 10.432 -3.191 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -10.706 12.355 -3.147 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -9.852 12.110 -1.636 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -7.477 11.444 -1.640 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -6.797 10.578 -3.039 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -6.871 12.356 -3.043 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -10.041 14.494 -2.159 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -8.333 13.993 -2.174 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -9.201 14.242 -3.708 1.00 0.00 H new ATOM 1829 N VAL A 119 -6.731 10.349 -6.074 1.00 0.00 N ATOM 1830 CA VAL A 119 -5.875 9.242 -6.600 1.00 0.00 C ATOM 1831 C VAL A 119 -4.530 9.236 -5.796 1.00 0.00 C ATOM 1832 O VAL A 119 -3.557 9.877 -6.202 1.00 0.00 O ATOM 1833 CB VAL A 119 -5.722 9.386 -8.159 1.00 0.00 C ATOM 1834 CG1 VAL A 119 -4.833 8.290 -8.786 1.00 0.00 C ATOM 1835 CG2 VAL A 119 -7.064 9.359 -8.936 1.00 0.00 C ATOM 0 H VAL A 119 -6.348 11.280 -6.236 1.00 0.00 H new ATOM 0 HA VAL A 119 -6.328 8.262 -6.451 1.00 0.00 H new ATOM 0 HB VAL A 119 -5.258 10.367 -8.260 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -4.768 8.446 -9.863 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -3.835 8.339 -8.351 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -5.268 7.311 -8.587 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -6.869 9.464 -10.003 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -7.572 8.413 -8.751 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -7.695 10.182 -8.600 1.00 0.00 H new ATOM 1845 N PHE A 120 -4.453 8.521 -4.652 1.00 0.00 N ATOM 1846 CA PHE A 120 -3.197 8.426 -3.847 1.00 0.00 C ATOM 1847 C PHE A 120 -2.202 7.416 -4.499 1.00 0.00 C ATOM 1848 O PHE A 120 -2.344 6.201 -4.343 1.00 0.00 O ATOM 1849 CB PHE A 120 -3.546 8.135 -2.358 1.00 0.00 C ATOM 1850 CG PHE A 120 -2.377 7.779 -1.408 1.00 0.00 C ATOM 1851 CD1 PHE A 120 -1.171 8.492 -1.446 1.00 0.00 C ATOM 1852 CD2 PHE A 120 -2.477 6.660 -0.573 1.00 0.00 C ATOM 1853 CE1 PHE A 120 -0.072 8.054 -0.718 1.00 0.00 C ATOM 1854 CE2 PHE A 120 -1.375 6.228 0.164 1.00 0.00 C ATOM 1855 CZ PHE A 120 -0.172 6.924 0.087 1.00 0.00 C ATOM 0 H PHE A 120 -5.237 8.000 -4.260 1.00 0.00 H new ATOM 0 HA PHE A 120 -2.669 9.380 -3.847 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -4.053 9.011 -1.954 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -4.261 7.313 -2.334 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -1.096 9.388 -2.045 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -3.414 6.128 -0.499 1.00 0.00 H new ATOM 0 HE1 PHE A 120 0.862 8.592 -0.777 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -1.455 5.354 0.794 1.00 0.00 H new ATOM 0 HZ PHE A 120 0.684 6.587 0.652 1.00 0.00 H new ATOM 1865 N LYS A 121 -1.184 7.943 -5.199 1.00 0.00 N ATOM 1866 CA LYS A 121 -0.223 7.101 -5.956 1.00 0.00 C ATOM 1867 C LYS A 121 1.230 7.114 -5.387 1.00 0.00 C ATOM 1868 O LYS A 121 1.941 8.120 -5.466 1.00 0.00 O ATOM 1869 CB LYS A 121 -0.296 7.548 -7.440 1.00 0.00 C ATOM 1870 CG LYS A 121 0.406 6.598 -8.434 1.00 0.00 C ATOM 1871 CD LYS A 121 0.263 7.102 -9.881 1.00 0.00 C ATOM 1872 CE LYS A 121 0.942 6.161 -10.888 1.00 0.00 C ATOM 1873 NZ LYS A 121 0.778 6.724 -12.253 1.00 0.00 N ATOM 0 H LYS A 121 -0.999 8.944 -5.261 1.00 0.00 H new ATOM 0 HA LYS A 121 -0.510 6.054 -5.856 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -1.344 7.642 -7.726 1.00 0.00 H new ATOM 0 HB3 LYS A 121 0.149 8.539 -7.529 1.00 0.00 H new ATOM 0 HG2 LYS A 121 1.462 6.515 -8.178 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -0.022 5.599 -8.350 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -0.794 7.197 -10.129 1.00 0.00 H new ATOM 0 HD3 LYS A 121 0.700 8.097 -9.963 1.00 0.00 H new ATOM 0 HE2 LYS A 121 2.000 6.052 -10.649 1.00 0.00 H new ATOM 0 HE3 LYS A 121 0.499 5.167 -10.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 1.234 6.095 -12.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -0.235 6.807 -12.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 1.220 7.665 -12.296 1.00 0.00 H new ATOM 1887 N ARG A 122 1.687 5.970 -4.853 1.00 0.00 N ATOM 1888 CA ARG A 122 3.125 5.764 -4.515 1.00 0.00 C ATOM 1889 C ARG A 122 3.897 5.189 -5.756 1.00 0.00 C ATOM 1890 O ARG A 122 3.322 4.518 -6.623 1.00 0.00 O ATOM 1891 CB ARG A 122 3.279 4.800 -3.305 1.00 0.00 C ATOM 1892 CG ARG A 122 3.161 5.428 -1.895 1.00 0.00 C ATOM 1893 CD ARG A 122 3.621 4.422 -0.823 1.00 0.00 C ATOM 1894 NE ARG A 122 3.751 5.039 0.522 1.00 0.00 N ATOM 1895 CZ ARG A 122 4.340 4.459 1.570 1.00 0.00 C ATOM 1896 NH1 ARG A 122 4.795 3.229 1.572 1.00 0.00 N ATOM 1897 NH2 ARG A 122 4.486 5.158 2.657 1.00 0.00 N ATOM 0 H ARG A 122 1.092 5.169 -4.642 1.00 0.00 H new ATOM 0 HA ARG A 122 3.551 6.730 -4.243 1.00 0.00 H new ATOM 0 HB2 ARG A 122 2.523 4.019 -3.394 1.00 0.00 H new ATOM 0 HB3 ARG A 122 4.251 4.313 -3.380 1.00 0.00 H new ATOM 0 HG2 ARG A 122 3.768 6.332 -1.840 1.00 0.00 H new ATOM 0 HG3 ARG A 122 2.129 5.725 -1.707 1.00 0.00 H new ATOM 0 HD2 ARG A 122 2.909 3.599 -0.773 1.00 0.00 H new ATOM 0 HD3 ARG A 122 4.580 3.996 -1.117 1.00 0.00 H new ATOM 0 HE ARG A 122 3.362 5.973 0.654 1.00 0.00 H new ATOM 0 HH11 ARG A 122 4.709 2.652 0.735 1.00 0.00 H new ATOM 0 HH12 ARG A 122 5.235 2.849 2.410 1.00 0.00 H new ATOM 0 HH21 ARG A 122 4.154 6.122 2.692 1.00 0.00 H new ATOM 0 HH22 ARG A 122 4.932 4.742 3.475 1.00 0.00 H new ATOM 1911 N ILE A 123 5.208 5.466 -5.832 1.00 0.00 N ATOM 1912 CA ILE A 123 6.116 4.916 -6.883 1.00 0.00 C ATOM 1913 C ILE A 123 7.401 4.465 -6.102 1.00 0.00 C ATOM 1914 O ILE A 123 8.190 5.307 -5.656 1.00 0.00 O ATOM 1915 CB ILE A 123 6.399 5.922 -8.064 1.00 0.00 C ATOM 1916 CG1 ILE A 123 5.140 6.415 -8.852 1.00 0.00 C ATOM 1917 CG2 ILE A 123 7.376 5.301 -9.098 1.00 0.00 C ATOM 1918 CD1 ILE A 123 4.442 7.668 -8.289 1.00 0.00 C ATOM 0 H ILE A 123 5.682 6.079 -5.169 1.00 0.00 H new ATOM 0 HA ILE A 123 5.661 4.078 -7.410 1.00 0.00 H new ATOM 0 HB ILE A 123 6.824 6.789 -7.559 1.00 0.00 H new ATOM 0 HG12 ILE A 123 5.436 6.619 -9.881 1.00 0.00 H new ATOM 0 HG13 ILE A 123 4.414 5.602 -8.885 1.00 0.00 H new ATOM 0 HG21 ILE A 123 7.555 6.014 -9.903 1.00 0.00 H new ATOM 0 HG22 ILE A 123 8.320 5.061 -8.608 1.00 0.00 H new ATOM 0 HG23 ILE A 123 6.940 4.391 -9.510 1.00 0.00 H new ATOM 0 HD11 ILE A 123 3.584 7.918 -8.913 1.00 0.00 H new ATOM 0 HD12 ILE A 123 4.105 7.470 -7.271 1.00 0.00 H new ATOM 0 HD13 ILE A 123 5.142 8.503 -8.283 1.00 0.00 H new ATOM 1930 N SER A 124 7.610 3.143 -5.953 1.00 0.00 N ATOM 1931 CA SER A 124 8.743 2.567 -5.170 1.00 0.00 C ATOM 1932 C SER A 124 9.597 1.581 -6.030 1.00 0.00 C ATOM 1933 O SER A 124 9.055 0.731 -6.743 1.00 0.00 O ATOM 1934 CB SER A 124 8.150 1.857 -3.923 1.00 0.00 C ATOM 1935 OG SER A 124 7.447 2.764 -3.068 1.00 0.00 O ATOM 0 H SER A 124 7.003 2.436 -6.368 1.00 0.00 H new ATOM 0 HA SER A 124 9.418 3.365 -4.861 1.00 0.00 H new ATOM 0 HB2 SER A 124 7.473 1.066 -4.245 1.00 0.00 H new ATOM 0 HB3 SER A 124 8.954 1.380 -3.362 1.00 0.00 H new ATOM 0 HG SER A 124 7.089 2.276 -2.297 1.00 0.00 H new ATOM 1941 N LYS A 125 10.940 1.669 -5.970 1.00 0.00 N ATOM 1942 CA LYS A 125 11.838 0.796 -6.775 1.00 0.00 C ATOM 1943 C LYS A 125 12.336 -0.463 -5.998 1.00 0.00 C ATOM 1944 O LYS A 125 12.782 -0.362 -4.852 1.00 0.00 O ATOM 1945 CB LYS A 125 12.996 1.683 -7.299 1.00 0.00 C ATOM 1946 CG LYS A 125 13.953 0.926 -8.249 1.00 0.00 C ATOM 1947 CD LYS A 125 14.759 1.843 -9.190 1.00 0.00 C ATOM 1948 CE LYS A 125 15.283 1.129 -10.453 1.00 0.00 C ATOM 1949 NZ LYS A 125 16.309 0.095 -10.129 1.00 0.00 N ATOM 0 H LYS A 125 11.434 2.334 -5.374 1.00 0.00 H new ATOM 0 HA LYS A 125 11.284 0.374 -7.614 1.00 0.00 H new ATOM 0 HB2 LYS A 125 12.579 2.544 -7.822 1.00 0.00 H new ATOM 0 HB3 LYS A 125 13.563 2.069 -6.452 1.00 0.00 H new ATOM 0 HG2 LYS A 125 14.648 0.335 -7.652 1.00 0.00 H new ATOM 0 HG3 LYS A 125 13.373 0.226 -8.850 1.00 0.00 H new ATOM 0 HD2 LYS A 125 14.131 2.681 -9.492 1.00 0.00 H new ATOM 0 HD3 LYS A 125 15.604 2.259 -8.642 1.00 0.00 H new ATOM 0 HE2 LYS A 125 14.449 0.660 -10.976 1.00 0.00 H new ATOM 0 HE3 LYS A 125 15.713 1.865 -11.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 16.633 -0.359 -11.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 17.117 0.545 -9.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 15.893 -0.622 -9.501 1.00 0.00 H new ATOM 1963 N ARG A 126 12.336 -1.631 -6.669 1.00 0.00 N ATOM 1964 CA ARG A 126 12.762 -2.929 -6.082 1.00 0.00 C ATOM 1965 C ARG A 126 14.256 -2.985 -5.634 1.00 0.00 C ATOM 1966 O ARG A 126 15.176 -2.741 -6.423 1.00 0.00 O ATOM 1967 CB ARG A 126 12.460 -3.996 -7.164 1.00 0.00 C ATOM 1968 CG ARG A 126 12.396 -5.457 -6.670 1.00 0.00 C ATOM 1969 CD ARG A 126 12.232 -6.398 -7.873 1.00 0.00 C ATOM 1970 NE ARG A 126 11.868 -7.781 -7.477 1.00 0.00 N ATOM 1971 CZ ARG A 126 11.471 -8.724 -8.332 1.00 0.00 C ATOM 1972 NH1 ARG A 126 11.480 -8.592 -9.641 1.00 0.00 N ATOM 1973 NH2 ARG A 126 11.051 -9.847 -7.829 1.00 0.00 N ATOM 0 H ARG A 126 12.039 -1.707 -7.642 1.00 0.00 H new ATOM 0 HA ARG A 126 12.215 -3.100 -5.155 1.00 0.00 H new ATOM 0 HB2 ARG A 126 11.508 -3.750 -7.634 1.00 0.00 H new ATOM 0 HB3 ARG A 126 13.225 -3.928 -7.938 1.00 0.00 H new ATOM 0 HG2 ARG A 126 13.304 -5.706 -6.121 1.00 0.00 H new ATOM 0 HG3 ARG A 126 11.561 -5.583 -5.980 1.00 0.00 H new ATOM 0 HD2 ARG A 126 11.464 -6.001 -8.537 1.00 0.00 H new ATOM 0 HD3 ARG A 126 13.163 -6.421 -8.440 1.00 0.00 H new ATOM 0 HE ARG A 126 11.925 -8.026 -6.488 1.00 0.00 H new ATOM 0 HH11 ARG A 126 11.806 -7.723 -10.064 1.00 0.00 H new ATOM 0 HH12 ARG A 126 11.161 -9.359 -10.233 1.00 0.00 H new ATOM 0 HH21 ARG A 126 11.035 -9.978 -6.818 1.00 0.00 H new ATOM 0 HH22 ARG A 126 10.738 -10.597 -8.446 1.00 0.00 H new ATOM 1987 N ILE A 127 14.452 -3.292 -4.348 1.00 0.00 N ATOM 1988 CA ILE A 127 15.785 -3.393 -3.695 1.00 0.00 C ATOM 1989 C ILE A 127 15.829 -4.732 -2.869 1.00 0.00 C ATOM 1990 O ILE A 127 16.947 -5.121 -2.461 1.00 0.00 O ATOM 1991 CB ILE A 127 16.067 -2.023 -2.948 1.00 0.00 C ATOM 1992 CG1 ILE A 127 16.533 -0.913 -3.941 1.00 0.00 C ATOM 1993 CG2 ILE A 127 17.037 -2.120 -1.750 1.00 0.00 C ATOM 1994 CD1 ILE A 127 16.607 0.524 -3.397 1.00 0.00 C ATOM 1995 OXT ILE A 127 14.796 -5.419 -2.648 1.00 0.00 O ATOM 0 H ILE A 127 13.681 -3.483 -3.709 1.00 0.00 H new ATOM 0 HA ILE A 127 16.630 -3.492 -4.377 1.00 0.00 H new ATOM 0 HB ILE A 127 15.103 -1.746 -2.521 1.00 0.00 H new ATOM 0 HG12 ILE A 127 17.520 -1.185 -4.314 1.00 0.00 H new ATOM 0 HG13 ILE A 127 15.857 -0.917 -4.796 1.00 0.00 H new ATOM 0 HG21 ILE A 127 17.166 -1.133 -1.306 1.00 0.00 H new ATOM 0 HG22 ILE A 127 16.628 -2.803 -1.005 1.00 0.00 H new ATOM 0 HG23 ILE A 127 18.002 -2.493 -2.093 1.00 0.00 H new ATOM 0 HD11 ILE A 127 16.944 1.195 -4.187 1.00 0.00 H new ATOM 0 HD12 ILE A 127 15.620 0.834 -3.053 1.00 0.00 H new ATOM 0 HD13 ILE A 127 17.310 0.562 -2.565 1.00 0.00 H new