USER MOD reduce.3.24.130724 H: found=0, std=0, add=991, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 989 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 93 LYS NZ :NH3+ 167:sc= 0.00025 (180deg=-0.209) USER MOD Set 1.2: A 124 GLN : amide:sc= 0.00146 X(o=0.0017,f=-0.48) USER MOD Set 2.1: A 83 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 86 GLN : amide:sc= -1.8 K(o=-1.8,f=-5.3!) USER MOD Set 3.1: A 76 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 78 ASN : amide:sc= -2.28 K(o=-2.3,f=-3.4!) USER MOD Set 4.1: A 46 THR OG1 : rot 180:sc= -0.003 USER MOD Set 4.2: A 115 GLN : amide:sc= -2.62! C(o=-2.6!,f=-7.2!) USER MOD Single : A 1 GLY N :NH3+ 178:sc= 0 (180deg=-0.0126) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl -111:sc= -0.137 (180deg=-0.687) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0.15) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 24 CYS SG : rot -17:sc= 0.0709 USER MOD Single : A 27 HIS : no HD1:sc= -1.19 K(o=-1.2,f=-0.32) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= -0.111 USER MOD Single : A 37 THR OG1 : rot -50:sc= 0.681 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0657 USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=-0.0022) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl -159:sc= -0.146 (180deg=-0.709) USER MOD Single : A 63 HIS : no HD1:sc=-0.00675 X(o=-0.0068,f=0) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 CYS SG : rot 180:sc= 0.0491 USER MOD Single : A 79 SER OG : rot 96:sc= 0.368 USER MOD Single : A 81 GLN : amide:sc= -1.13 K(o=-1.1,f=-4.5!) USER MOD Single : A 87 CYS SG : rot 73:sc= 0.407 USER MOD Single : A 89 THR OG1 : rot 84:sc= 0.612 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -6.85! C(o=-6.9!,f=-7.5!) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot -56:sc= 0.205 USER MOD Single : A 106 MET CE :methyl 160:sc= -0.615 (180deg=-1.35) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 ASN : amide:sc= 0.927 K(o=0.93,f=0) USER MOD Single : A 120 HIS : no HD1:sc= -0.0662 X(o=-0.066,f=0) USER MOD Single : A 123 SER OG : rot 78:sc= 0.771 USER MOD Single : A 127 THR OG1 : rot 40:sc= 0.846 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.463 36.963 -5.064 1.00 0.00 N ATOM 2 CA GLY A 1 -6.498 36.577 -4.051 1.00 0.00 C ATOM 3 C GLY A 1 -7.034 36.750 -2.644 1.00 0.00 C ATOM 4 O GLY A 1 -6.332 37.244 -1.761 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.037 36.858 -6.007 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.303 36.353 -4.994 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.742 37.954 -4.918 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.214 35.536 -4.203 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.594 37.175 -4.168 1.00 0.00 H new ATOM 8 N SER A 2 -8.282 36.345 -2.433 1.00 0.00 N ATOM 9 CA SER A 2 -8.914 36.463 -1.124 1.00 0.00 C ATOM 10 C SER A 2 -9.475 35.120 -0.668 1.00 0.00 C ATOM 11 O SER A 2 -10.026 34.362 -1.466 1.00 0.00 O ATOM 12 CB SER A 2 -10.032 37.507 -1.167 1.00 0.00 C ATOM 13 OG SER A 2 -10.402 37.911 0.140 1.00 0.00 O ATOM 0 H SER A 2 -8.876 35.932 -3.152 1.00 0.00 H new ATOM 0 HA SER A 2 -8.155 36.782 -0.409 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.703 38.374 -1.740 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.899 37.095 -1.683 1.00 0.00 H new ATOM 0 HG SER A 2 -11.117 38.579 0.086 1.00 0.00 H new ATOM 19 N SER A 3 -9.329 34.832 0.621 1.00 0.00 N ATOM 20 CA SER A 3 -9.817 33.578 1.185 1.00 0.00 C ATOM 21 C SER A 3 -11.134 33.167 0.534 1.00 0.00 C ATOM 22 O SER A 3 -11.987 34.006 0.247 1.00 0.00 O ATOM 23 CB SER A 3 -10.002 33.713 2.697 1.00 0.00 C ATOM 24 OG SER A 3 -10.712 32.605 3.224 1.00 0.00 O ATOM 0 H SER A 3 -8.877 35.450 1.295 1.00 0.00 H new ATOM 0 HA SER A 3 -9.076 32.804 0.985 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.028 33.788 3.181 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.541 34.634 2.920 1.00 0.00 H new ATOM 0 HG SER A 3 -10.816 32.714 4.192 1.00 0.00 H new ATOM 30 N GLY A 4 -11.292 31.867 0.304 1.00 0.00 N ATOM 31 CA GLY A 4 -12.507 31.365 -0.311 1.00 0.00 C ATOM 32 C GLY A 4 -12.282 30.070 -1.066 1.00 0.00 C ATOM 33 O GLY A 4 -12.726 29.006 -0.634 1.00 0.00 O ATOM 0 H GLY A 4 -10.601 31.153 0.532 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.262 31.207 0.459 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.902 32.117 -0.994 1.00 0.00 H new ATOM 37 N SER A 5 -11.593 30.159 -2.199 1.00 0.00 N ATOM 38 CA SER A 5 -11.315 28.986 -3.019 1.00 0.00 C ATOM 39 C SER A 5 -10.568 27.925 -2.215 1.00 0.00 C ATOM 40 O SER A 5 -10.967 26.761 -2.182 1.00 0.00 O ATOM 41 CB SER A 5 -10.495 29.380 -4.250 1.00 0.00 C ATOM 42 OG SER A 5 -11.285 30.104 -5.178 1.00 0.00 O ATOM 0 H SER A 5 -11.217 31.032 -2.570 1.00 0.00 H new ATOM 0 HA SER A 5 -12.267 28.567 -3.344 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.642 29.985 -3.944 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.096 28.485 -4.727 1.00 0.00 H new ATOM 0 HG SER A 5 -10.738 30.346 -5.955 1.00 0.00 H new ATOM 48 N SER A 6 -9.482 28.338 -1.569 1.00 0.00 N ATOM 49 CA SER A 6 -8.677 27.424 -0.768 1.00 0.00 C ATOM 50 C SER A 6 -9.561 26.415 -0.041 1.00 0.00 C ATOM 51 O SER A 6 -10.683 26.727 0.354 1.00 0.00 O ATOM 52 CB SER A 6 -7.836 28.204 0.244 1.00 0.00 C ATOM 53 OG SER A 6 -7.054 29.196 -0.399 1.00 0.00 O ATOM 0 H SER A 6 -9.140 29.299 -1.585 1.00 0.00 H new ATOM 0 HA SER A 6 -8.013 26.881 -1.440 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.489 28.672 0.980 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.185 27.518 0.786 1.00 0.00 H new ATOM 0 HG SER A 6 -6.527 29.681 0.270 1.00 0.00 H new ATOM 59 N GLY A 7 -9.045 25.201 0.131 1.00 0.00 N ATOM 60 CA GLY A 7 -9.799 24.164 0.810 1.00 0.00 C ATOM 61 C GLY A 7 -8.979 23.444 1.861 1.00 0.00 C ATOM 62 O GLY A 7 -8.919 23.874 3.013 1.00 0.00 O ATOM 0 H GLY A 7 -8.118 24.918 -0.188 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.678 24.606 1.280 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.159 23.442 0.077 1.00 0.00 H new ATOM 66 N MET A 8 -8.347 22.343 1.465 1.00 0.00 N ATOM 67 CA MET A 8 -7.527 21.562 2.383 1.00 0.00 C ATOM 68 C MET A 8 -6.186 21.208 1.747 1.00 0.00 C ATOM 69 O MET A 8 -5.139 21.698 2.170 1.00 0.00 O ATOM 70 CB MET A 8 -8.261 20.285 2.797 1.00 0.00 C ATOM 71 CG MET A 8 -7.479 19.424 3.776 1.00 0.00 C ATOM 72 SD MET A 8 -8.176 17.771 3.956 1.00 0.00 S ATOM 73 CE MET A 8 -7.824 17.077 2.343 1.00 0.00 C ATOM 0 H MET A 8 -8.387 21.973 0.516 1.00 0.00 H new ATOM 0 HA MET A 8 -7.340 22.168 3.269 1.00 0.00 H new ATOM 0 HB2 MET A 8 -9.217 20.555 3.246 1.00 0.00 H new ATOM 0 HB3 MET A 8 -8.482 19.698 1.906 1.00 0.00 H new ATOM 0 HG2 MET A 8 -6.446 19.344 3.438 1.00 0.00 H new ATOM 0 HG3 MET A 8 -7.459 19.914 4.750 1.00 0.00 H new ATOM 0 HE1 MET A 8 -8.756 16.941 1.794 1.00 0.00 H new ATOM 0 HE2 MET A 8 -7.173 17.754 1.790 1.00 0.00 H new ATOM 0 HE3 MET A 8 -7.329 16.113 2.462 1.00 0.00 H new ATOM 83 N ALA A 9 -6.226 20.354 0.729 1.00 0.00 N ATOM 84 CA ALA A 9 -5.015 19.936 0.035 1.00 0.00 C ATOM 85 C ALA A 9 -5.289 19.688 -1.445 1.00 0.00 C ATOM 86 O ALA A 9 -6.260 19.023 -1.802 1.00 0.00 O ATOM 87 CB ALA A 9 -4.439 18.686 0.683 1.00 0.00 C ATOM 0 H ALA A 9 -7.084 19.938 0.367 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.285 20.742 0.113 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -3.535 18.386 0.154 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.197 18.895 1.725 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.172 17.881 0.635 1.00 0.00 H new ATOM 93 N GLU A 10 -4.426 20.229 -2.300 1.00 0.00 N ATOM 94 CA GLU A 10 -4.577 20.067 -3.741 1.00 0.00 C ATOM 95 C GLU A 10 -4.212 18.648 -4.171 1.00 0.00 C ATOM 96 O GLU A 10 -5.004 17.937 -4.789 1.00 0.00 O ATOM 97 CB GLU A 10 -3.702 21.078 -4.485 1.00 0.00 C ATOM 98 CG GLU A 10 -4.422 22.372 -4.824 1.00 0.00 C ATOM 99 CD GLU A 10 -5.553 22.169 -5.814 1.00 0.00 C ATOM 100 OE1 GLU A 10 -6.596 21.609 -5.417 1.00 0.00 O ATOM 101 OE2 GLU A 10 -5.394 22.571 -6.986 1.00 0.00 O ATOM 0 H GLU A 10 -3.616 20.782 -2.020 1.00 0.00 H new ATOM 0 HA GLU A 10 -5.622 20.247 -3.993 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.828 21.307 -3.876 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.338 20.623 -5.406 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.819 22.812 -3.910 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.707 23.084 -5.236 1.00 0.00 H new ATOM 108 N PRO A 11 -2.983 18.227 -3.836 1.00 0.00 N ATOM 109 CA PRO A 11 -2.484 16.892 -4.176 1.00 0.00 C ATOM 110 C PRO A 11 -3.183 15.792 -3.384 1.00 0.00 C ATOM 111 O PRO A 11 -3.671 14.816 -3.955 1.00 0.00 O ATOM 112 CB PRO A 11 -1.002 16.961 -3.801 1.00 0.00 C ATOM 113 CG PRO A 11 -0.925 18.016 -2.752 1.00 0.00 C ATOM 114 CD PRO A 11 -1.987 19.022 -3.098 1.00 0.00 C ATOM 0 HA PRO A 11 -2.662 16.645 -5.223 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -0.644 16.003 -3.425 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.387 17.215 -4.664 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -1.095 17.594 -1.761 1.00 0.00 H new ATOM 0 HG3 PRO A 11 0.061 18.480 -2.736 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.417 19.476 -2.205 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -1.589 19.833 -3.708 1.00 0.00 H new ATOM 122 N VAL A 12 -3.229 15.957 -2.066 1.00 0.00 N ATOM 123 CA VAL A 12 -3.871 14.979 -1.195 1.00 0.00 C ATOM 124 C VAL A 12 -5.288 14.670 -1.666 1.00 0.00 C ATOM 125 O VAL A 12 -5.627 13.516 -1.926 1.00 0.00 O ATOM 126 CB VAL A 12 -3.922 15.473 0.262 1.00 0.00 C ATOM 127 CG1 VAL A 12 -4.484 14.392 1.174 1.00 0.00 C ATOM 128 CG2 VAL A 12 -2.540 15.907 0.726 1.00 0.00 C ATOM 0 H VAL A 12 -2.829 16.759 -1.578 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.270 14.071 -1.242 1.00 0.00 H new ATOM 0 HB VAL A 12 -4.585 16.337 0.311 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.512 14.760 2.200 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -5.493 14.134 0.853 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.850 13.507 1.123 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.595 16.253 1.758 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.853 15.063 0.662 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.180 16.716 0.090 1.00 0.00 H new ATOM 138 N GLN A 13 -6.109 15.709 -1.773 1.00 0.00 N ATOM 139 CA GLN A 13 -7.490 15.548 -2.213 1.00 0.00 C ATOM 140 C GLN A 13 -7.557 14.779 -3.528 1.00 0.00 C ATOM 141 O GLN A 13 -8.461 13.972 -3.741 1.00 0.00 O ATOM 142 CB GLN A 13 -8.159 16.914 -2.373 1.00 0.00 C ATOM 143 CG GLN A 13 -7.848 17.593 -3.697 1.00 0.00 C ATOM 144 CD GLN A 13 -8.808 18.722 -4.013 1.00 0.00 C ATOM 145 OE1 GLN A 13 -8.758 19.787 -3.396 1.00 0.00 O ATOM 146 NE2 GLN A 13 -9.690 18.497 -4.980 1.00 0.00 N ATOM 0 H GLN A 13 -5.843 16.671 -1.561 1.00 0.00 H new ATOM 0 HA GLN A 13 -8.022 14.977 -1.452 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -9.238 16.794 -2.281 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.840 17.563 -1.558 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -6.830 17.983 -3.671 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -7.886 16.854 -4.498 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -9.697 17.600 -5.466 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -10.361 19.221 -5.237 1.00 0.00 H new ATOM 155 N GLU A 14 -6.593 15.035 -4.407 1.00 0.00 N ATOM 156 CA GLU A 14 -6.544 14.367 -5.702 1.00 0.00 C ATOM 157 C GLU A 14 -6.307 12.869 -5.533 1.00 0.00 C ATOM 158 O GLU A 14 -7.001 12.049 -6.133 1.00 0.00 O ATOM 159 CB GLU A 14 -5.441 14.974 -6.573 1.00 0.00 C ATOM 160 CG GLU A 14 -5.871 16.232 -7.309 1.00 0.00 C ATOM 161 CD GLU A 14 -4.868 16.662 -8.362 1.00 0.00 C ATOM 162 OE1 GLU A 14 -3.679 16.303 -8.232 1.00 0.00 O ATOM 163 OE2 GLU A 14 -5.273 17.358 -9.317 1.00 0.00 O ATOM 0 H GLU A 14 -5.836 15.700 -4.246 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.506 14.512 -6.193 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.580 15.206 -5.946 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.114 14.231 -7.301 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.838 16.059 -7.782 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.007 17.040 -6.591 1.00 0.00 H new ATOM 170 N GLU A 15 -5.320 12.521 -4.713 1.00 0.00 N ATOM 171 CA GLU A 15 -4.991 11.122 -4.466 1.00 0.00 C ATOM 172 C GLU A 15 -6.178 10.383 -3.855 1.00 0.00 C ATOM 173 O GLU A 15 -6.591 9.332 -4.349 1.00 0.00 O ATOM 174 CB GLU A 15 -3.778 11.016 -3.539 1.00 0.00 C ATOM 175 CG GLU A 15 -3.550 9.617 -2.993 1.00 0.00 C ATOM 176 CD GLU A 15 -4.279 9.375 -1.685 1.00 0.00 C ATOM 177 OE1 GLU A 15 -3.718 9.715 -0.622 1.00 0.00 O ATOM 178 OE2 GLU A 15 -5.409 8.846 -1.725 1.00 0.00 O ATOM 0 H GLU A 15 -4.735 13.188 -4.209 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.750 10.658 -5.422 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.888 11.335 -4.081 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.907 11.706 -2.705 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.881 8.885 -3.730 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -2.482 9.459 -2.844 1.00 0.00 H new ATOM 185 N LEU A 16 -6.722 10.938 -2.778 1.00 0.00 N ATOM 186 CA LEU A 16 -7.861 10.332 -2.098 1.00 0.00 C ATOM 187 C LEU A 16 -9.017 10.106 -3.067 1.00 0.00 C ATOM 188 O LEU A 16 -9.662 9.057 -3.046 1.00 0.00 O ATOM 189 CB LEU A 16 -8.319 11.219 -0.939 1.00 0.00 C ATOM 190 CG LEU A 16 -7.434 11.205 0.308 1.00 0.00 C ATOM 191 CD1 LEU A 16 -7.887 12.268 1.297 1.00 0.00 C ATOM 192 CD2 LEU A 16 -7.450 9.829 0.958 1.00 0.00 C ATOM 0 H LEU A 16 -6.393 11.807 -2.357 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.546 9.365 -1.706 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -8.389 12.245 -1.299 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -9.325 10.914 -0.650 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.411 11.431 0.006 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -7.245 12.243 2.178 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.823 13.251 0.830 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.918 12.074 1.593 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -6.815 9.838 1.844 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -8.470 9.574 1.245 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.077 9.088 0.251 1.00 0.00 H new ATOM 204 N SER A 17 -9.271 11.095 -3.918 1.00 0.00 N ATOM 205 CA SER A 17 -10.350 11.005 -4.895 1.00 0.00 C ATOM 206 C SER A 17 -10.036 9.954 -5.955 1.00 0.00 C ATOM 207 O SER A 17 -10.730 8.944 -6.070 1.00 0.00 O ATOM 208 CB SER A 17 -10.580 12.363 -5.559 1.00 0.00 C ATOM 209 OG SER A 17 -11.471 12.251 -6.655 1.00 0.00 O ATOM 0 H SER A 17 -8.744 11.968 -3.951 1.00 0.00 H new ATOM 0 HA SER A 17 -11.258 10.707 -4.371 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.983 13.065 -4.829 1.00 0.00 H new ATOM 0 HB3 SER A 17 -9.628 12.770 -5.900 1.00 0.00 H new ATOM 0 HG SER A 17 -11.603 13.133 -7.061 1.00 0.00 H new ATOM 215 N VAL A 18 -8.984 10.200 -6.730 1.00 0.00 N ATOM 216 CA VAL A 18 -8.575 9.276 -7.781 1.00 0.00 C ATOM 217 C VAL A 18 -8.713 7.828 -7.324 1.00 0.00 C ATOM 218 O VAL A 18 -9.314 7.003 -8.013 1.00 0.00 O ATOM 219 CB VAL A 18 -7.120 9.530 -8.217 1.00 0.00 C ATOM 220 CG1 VAL A 18 -6.649 8.439 -9.166 1.00 0.00 C ATOM 221 CG2 VAL A 18 -6.988 10.902 -8.861 1.00 0.00 C ATOM 0 H VAL A 18 -8.399 11.032 -6.649 1.00 0.00 H new ATOM 0 HA VAL A 18 -9.236 9.450 -8.630 1.00 0.00 H new ATOM 0 HB VAL A 18 -6.485 9.507 -7.332 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.619 8.635 -9.463 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.704 7.472 -8.665 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -7.286 8.426 -10.051 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -5.953 11.064 -9.163 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -7.634 10.956 -9.737 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -7.282 11.670 -8.145 1.00 0.00 H new ATOM 231 N LEU A 19 -8.152 7.526 -6.158 1.00 0.00 N ATOM 232 CA LEU A 19 -8.213 6.177 -5.607 1.00 0.00 C ATOM 233 C LEU A 19 -9.653 5.773 -5.312 1.00 0.00 C ATOM 234 O LEU A 19 -10.074 4.661 -5.629 1.00 0.00 O ATOM 235 CB LEU A 19 -7.374 6.088 -4.331 1.00 0.00 C ATOM 236 CG LEU A 19 -5.880 5.825 -4.526 1.00 0.00 C ATOM 237 CD1 LEU A 19 -5.143 5.929 -3.200 1.00 0.00 C ATOM 238 CD2 LEU A 19 -5.658 4.458 -5.157 1.00 0.00 C ATOM 0 H LEU A 19 -7.650 8.197 -5.576 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.808 5.489 -6.350 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -7.489 7.021 -3.779 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.783 5.295 -3.706 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.481 6.583 -5.200 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.081 5.739 -3.358 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.275 6.929 -2.788 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.543 5.193 -2.502 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.590 4.287 -5.289 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.072 3.686 -4.508 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.154 4.420 -6.127 1.00 0.00 H new ATOM 250 N ALA A 20 -10.405 6.685 -4.704 1.00 0.00 N ATOM 251 CA ALA A 20 -11.800 6.425 -4.369 1.00 0.00 C ATOM 252 C ALA A 20 -12.574 5.932 -5.587 1.00 0.00 C ATOM 253 O ALA A 20 -13.540 5.180 -5.458 1.00 0.00 O ATOM 254 CB ALA A 20 -12.449 7.679 -3.802 1.00 0.00 C ATOM 0 H ALA A 20 -10.072 7.610 -4.433 1.00 0.00 H new ATOM 0 HA ALA A 20 -11.826 5.641 -3.612 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -13.490 7.470 -3.556 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -11.918 7.988 -2.901 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -12.404 8.478 -4.542 1.00 0.00 H new ATOM 260 N ALA A 21 -12.143 6.360 -6.769 1.00 0.00 N ATOM 261 CA ALA A 21 -12.795 5.960 -8.010 1.00 0.00 C ATOM 262 C ALA A 21 -12.699 4.453 -8.220 1.00 0.00 C ATOM 263 O ALA A 21 -13.704 3.786 -8.470 1.00 0.00 O ATOM 264 CB ALA A 21 -12.182 6.699 -9.190 1.00 0.00 C ATOM 0 H ALA A 21 -11.345 6.984 -6.893 1.00 0.00 H new ATOM 0 HA ALA A 21 -13.850 6.224 -7.938 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -12.678 6.391 -10.110 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -12.308 7.773 -9.052 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -11.120 6.464 -9.255 1.00 0.00 H new ATOM 270 N ILE A 22 -11.486 3.921 -8.116 1.00 0.00 N ATOM 271 CA ILE A 22 -11.260 2.492 -8.294 1.00 0.00 C ATOM 272 C ILE A 22 -11.941 1.687 -7.193 1.00 0.00 C ATOM 273 O ILE A 22 -12.719 0.773 -7.468 1.00 0.00 O ATOM 274 CB ILE A 22 -9.757 2.157 -8.305 1.00 0.00 C ATOM 275 CG1 ILE A 22 -9.056 2.896 -9.447 1.00 0.00 C ATOM 276 CG2 ILE A 22 -9.551 0.655 -8.434 1.00 0.00 C ATOM 277 CD1 ILE A 22 -7.601 3.199 -9.166 1.00 0.00 C ATOM 0 H ILE A 22 -10.644 4.458 -7.909 1.00 0.00 H new ATOM 0 HA ILE A 22 -11.691 2.222 -9.258 1.00 0.00 H new ATOM 0 HB ILE A 22 -9.319 2.485 -7.362 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -9.125 2.296 -10.354 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -9.582 3.830 -9.642 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -8.484 0.433 -8.440 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -10.022 0.149 -7.591 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -10.000 0.305 -9.363 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.168 3.723 -10.018 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.525 3.825 -8.277 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.061 2.267 -9.001 1.00 0.00 H new ATOM 289 N PHE A 23 -11.645 2.034 -5.945 1.00 0.00 N ATOM 290 CA PHE A 23 -12.229 1.344 -4.800 1.00 0.00 C ATOM 291 C PHE A 23 -13.675 1.779 -4.583 1.00 0.00 C ATOM 292 O PHE A 23 -14.365 1.262 -3.703 1.00 0.00 O ATOM 293 CB PHE A 23 -11.407 1.617 -3.539 1.00 0.00 C ATOM 294 CG PHE A 23 -9.948 1.298 -3.694 1.00 0.00 C ATOM 295 CD1 PHE A 23 -9.528 -0.006 -3.902 1.00 0.00 C ATOM 296 CD2 PHE A 23 -8.995 2.303 -3.631 1.00 0.00 C ATOM 297 CE1 PHE A 23 -8.186 -0.302 -4.045 1.00 0.00 C ATOM 298 CE2 PHE A 23 -7.652 2.012 -3.774 1.00 0.00 C ATOM 299 CZ PHE A 23 -7.246 0.708 -3.980 1.00 0.00 C ATOM 0 H PHE A 23 -11.004 2.789 -5.700 1.00 0.00 H new ATOM 0 HA PHE A 23 -12.217 0.274 -5.008 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -11.514 2.667 -3.265 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -11.814 1.030 -2.716 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -10.258 -0.800 -3.953 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -9.306 3.324 -3.468 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -7.872 -1.323 -4.208 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -6.920 2.804 -3.725 1.00 0.00 H new ATOM 0 HZ PHE A 23 -6.196 0.479 -4.090 1.00 0.00 H new ATOM 309 N CYS A 24 -14.127 2.733 -5.390 1.00 0.00 N ATOM 310 CA CYS A 24 -15.491 3.240 -5.286 1.00 0.00 C ATOM 311 C CYS A 24 -16.465 2.115 -4.954 1.00 0.00 C ATOM 312 O CYS A 24 -17.461 2.327 -4.262 1.00 0.00 O ATOM 313 CB CYS A 24 -15.905 3.921 -6.591 1.00 0.00 C ATOM 314 SG CYS A 24 -17.629 4.465 -6.625 1.00 0.00 S ATOM 0 H CYS A 24 -13.569 3.171 -6.123 1.00 0.00 H new ATOM 0 HA CYS A 24 -15.520 3.971 -4.478 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -15.260 4.783 -6.759 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -15.737 3.231 -7.418 1.00 0.00 H new ATOM 0 HG CYS A 24 -18.294 3.860 -5.686 1.00 0.00 H new ATOM 320 N ARG A 25 -16.172 0.918 -5.452 1.00 0.00 N ATOM 321 CA ARG A 25 -17.024 -0.240 -5.211 1.00 0.00 C ATOM 322 C ARG A 25 -17.583 -0.217 -3.791 1.00 0.00 C ATOM 323 O ARG A 25 -16.944 0.260 -2.854 1.00 0.00 O ATOM 324 CB ARG A 25 -16.240 -1.533 -5.441 1.00 0.00 C ATOM 325 CG ARG A 25 -15.714 -1.683 -6.859 1.00 0.00 C ATOM 326 CD ARG A 25 -16.841 -1.943 -7.847 1.00 0.00 C ATOM 327 NE ARG A 25 -16.452 -1.624 -9.218 1.00 0.00 N ATOM 328 CZ ARG A 25 -15.799 -2.465 -10.011 1.00 0.00 C ATOM 329 NH1 ARG A 25 -15.464 -3.671 -9.572 1.00 0.00 N ATOM 330 NH2 ARG A 25 -15.480 -2.102 -11.247 1.00 0.00 N ATOM 0 H ARG A 25 -15.351 0.725 -6.025 1.00 0.00 H new ATOM 0 HA ARG A 25 -17.858 -0.199 -5.912 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -15.401 -1.568 -4.746 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -16.882 -2.383 -5.209 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -15.178 -0.779 -7.147 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -14.998 -2.504 -6.898 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -17.139 -2.990 -7.789 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -17.711 -1.348 -7.569 1.00 0.00 H new ATOM 0 HE ARG A 25 -16.695 -0.705 -9.587 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -15.708 -3.954 -8.623 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -14.962 -4.315 -10.183 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -15.737 -1.176 -11.589 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -14.978 -2.749 -11.855 1.00 0.00 H new ATOM 344 N PRO A 26 -18.806 -0.744 -3.628 1.00 0.00 N ATOM 345 CA PRO A 26 -19.478 -0.796 -2.326 1.00 0.00 C ATOM 346 C PRO A 26 -18.817 -1.785 -1.372 1.00 0.00 C ATOM 347 O PRO A 26 -18.586 -2.942 -1.723 1.00 0.00 O ATOM 348 CB PRO A 26 -20.895 -1.257 -2.677 1.00 0.00 C ATOM 349 CG PRO A 26 -20.744 -2.006 -3.956 1.00 0.00 C ATOM 350 CD PRO A 26 -19.626 -1.331 -4.701 1.00 0.00 C ATOM 0 HA PRO A 26 -19.443 0.163 -1.810 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -21.310 -1.891 -1.894 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -21.570 -0.409 -2.792 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -20.511 -3.054 -3.769 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -21.668 -1.982 -4.534 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -19.056 -2.041 -5.300 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -20.001 -0.568 -5.383 1.00 0.00 H new ATOM 358 N HIS A 27 -18.515 -1.321 -0.163 1.00 0.00 N ATOM 359 CA HIS A 27 -17.881 -2.166 0.843 1.00 0.00 C ATOM 360 C HIS A 27 -16.443 -2.492 0.451 1.00 0.00 C ATOM 361 O HIS A 27 -15.969 -3.607 0.667 1.00 0.00 O ATOM 362 CB HIS A 27 -18.677 -3.459 1.029 1.00 0.00 C ATOM 363 CG HIS A 27 -20.155 -3.242 1.139 1.00 0.00 C ATOM 364 ND1 HIS A 27 -20.771 -2.837 2.304 1.00 0.00 N ATOM 365 CD2 HIS A 27 -21.139 -3.373 0.219 1.00 0.00 C ATOM 366 CE1 HIS A 27 -22.072 -2.732 2.097 1.00 0.00 C ATOM 367 NE2 HIS A 27 -22.321 -3.051 0.840 1.00 0.00 N ATOM 0 H HIS A 27 -18.699 -0.366 0.143 1.00 0.00 H new ATOM 0 HA HIS A 27 -17.867 -1.618 1.785 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -18.477 -4.123 0.188 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -18.325 -3.967 1.927 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -21.017 -3.674 -0.811 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -22.807 -2.436 2.831 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -23.242 -3.057 0.401 1.00 0.00 H new ATOM 376 N GLU A 28 -15.755 -1.511 -0.126 1.00 0.00 N ATOM 377 CA GLU A 28 -14.372 -1.696 -0.549 1.00 0.00 C ATOM 378 C GLU A 28 -13.500 -0.536 -0.077 1.00 0.00 C ATOM 379 O GLU A 28 -12.371 -0.737 0.370 1.00 0.00 O ATOM 380 CB GLU A 28 -14.294 -1.821 -2.072 1.00 0.00 C ATOM 381 CG GLU A 28 -14.571 -3.225 -2.583 1.00 0.00 C ATOM 382 CD GLU A 28 -13.396 -4.162 -2.382 1.00 0.00 C ATOM 383 OE1 GLU A 28 -12.591 -3.914 -1.459 1.00 0.00 O ATOM 384 OE2 GLU A 28 -13.280 -5.142 -3.147 1.00 0.00 O ATOM 0 H GLU A 28 -16.132 -0.582 -0.311 1.00 0.00 H new ATOM 0 HA GLU A 28 -14.000 -2.615 -0.097 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -15.009 -1.132 -2.522 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -13.303 -1.512 -2.403 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -15.444 -3.628 -2.070 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -14.817 -3.179 -3.644 1.00 0.00 H new ATOM 391 N TRP A 29 -14.031 0.676 -0.181 1.00 0.00 N ATOM 392 CA TRP A 29 -13.301 1.869 0.234 1.00 0.00 C ATOM 393 C TRP A 29 -13.717 2.301 1.636 1.00 0.00 C ATOM 394 O TRP A 29 -14.906 2.411 1.933 1.00 0.00 O ATOM 395 CB TRP A 29 -13.541 3.009 -0.757 1.00 0.00 C ATOM 396 CG TRP A 29 -13.011 4.329 -0.283 1.00 0.00 C ATOM 397 CD1 TRP A 29 -13.737 5.371 0.219 1.00 0.00 C ATOM 398 CD2 TRP A 29 -11.642 4.747 -0.269 1.00 0.00 C ATOM 399 NE1 TRP A 29 -12.901 6.412 0.544 1.00 0.00 N ATOM 400 CE2 TRP A 29 -11.611 6.054 0.255 1.00 0.00 C ATOM 401 CE3 TRP A 29 -10.439 4.145 -0.647 1.00 0.00 C ATOM 402 CZ2 TRP A 29 -10.425 6.767 0.409 1.00 0.00 C ATOM 403 CZ3 TRP A 29 -9.262 4.853 -0.494 1.00 0.00 C ATOM 404 CH2 TRP A 29 -9.262 6.152 0.031 1.00 0.00 C ATOM 0 H TRP A 29 -14.964 0.859 -0.549 1.00 0.00 H new ATOM 0 HA TRP A 29 -12.238 1.628 0.249 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -13.073 2.758 -1.709 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -14.611 3.101 -0.942 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -14.810 5.376 0.342 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -13.194 7.307 0.937 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -10.429 3.144 -1.052 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -10.423 7.769 0.812 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -8.327 4.397 -0.784 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -8.325 6.679 0.140 1.00 0.00 H new ATOM 415 N GLU A 30 -12.730 2.544 2.493 1.00 0.00 N ATOM 416 CA GLU A 30 -12.996 2.964 3.864 1.00 0.00 C ATOM 417 C GLU A 30 -11.921 3.929 4.355 1.00 0.00 C ATOM 418 O GLU A 30 -10.730 3.720 4.124 1.00 0.00 O ATOM 419 CB GLU A 30 -13.066 1.747 4.789 1.00 0.00 C ATOM 420 CG GLU A 30 -13.316 2.102 6.244 1.00 0.00 C ATOM 421 CD GLU A 30 -13.111 0.924 7.176 1.00 0.00 C ATOM 422 OE1 GLU A 30 -11.955 0.684 7.583 1.00 0.00 O ATOM 423 OE2 GLU A 30 -14.106 0.242 7.499 1.00 0.00 O ATOM 0 H GLU A 30 -11.740 2.457 2.262 1.00 0.00 H new ATOM 0 HA GLU A 30 -13.957 3.479 3.880 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -13.860 1.084 4.444 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -12.132 1.191 4.715 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -12.648 2.912 6.536 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -14.335 2.474 6.353 1.00 0.00 H new ATOM 430 N VAL A 31 -12.351 4.988 5.035 1.00 0.00 N ATOM 431 CA VAL A 31 -11.426 5.986 5.560 1.00 0.00 C ATOM 432 C VAL A 31 -11.601 6.158 7.065 1.00 0.00 C ATOM 433 O VAL A 31 -12.504 6.862 7.519 1.00 0.00 O ATOM 434 CB VAL A 31 -11.622 7.349 4.871 1.00 0.00 C ATOM 435 CG1 VAL A 31 -10.789 8.420 5.560 1.00 0.00 C ATOM 436 CG2 VAL A 31 -11.270 7.256 3.395 1.00 0.00 C ATOM 0 H VAL A 31 -13.333 5.177 5.235 1.00 0.00 H new ATOM 0 HA VAL A 31 -10.418 5.625 5.354 1.00 0.00 H new ATOM 0 HB VAL A 31 -12.672 7.630 4.953 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -10.940 9.376 5.060 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -11.095 8.504 6.603 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -9.735 8.148 5.512 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -11.415 8.229 2.924 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -10.229 6.952 3.288 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -11.914 6.520 2.913 1.00 0.00 H new ATOM 446 N LEU A 32 -10.731 5.512 7.833 1.00 0.00 N ATOM 447 CA LEU A 32 -10.788 5.595 9.289 1.00 0.00 C ATOM 448 C LEU A 32 -11.076 7.022 9.743 1.00 0.00 C ATOM 449 O LEU A 32 -12.158 7.316 10.251 1.00 0.00 O ATOM 450 CB LEU A 32 -9.472 5.109 9.899 1.00 0.00 C ATOM 451 CG LEU A 32 -8.984 3.736 9.435 1.00 0.00 C ATOM 452 CD1 LEU A 32 -7.639 3.408 10.064 1.00 0.00 C ATOM 453 CD2 LEU A 32 -10.009 2.663 9.773 1.00 0.00 C ATOM 0 H LEU A 32 -9.978 4.925 7.473 1.00 0.00 H new ATOM 0 HA LEU A 32 -11.600 4.954 9.633 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.698 5.843 9.674 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.584 5.085 10.983 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.859 3.762 8.352 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.307 2.427 9.723 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.907 4.161 9.771 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.737 3.400 11.150 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.645 1.693 9.435 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.166 2.637 10.851 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.951 2.890 9.275 1.00 0.00 H new ATOM 465 N SER A 33 -10.102 7.906 9.554 1.00 0.00 N ATOM 466 CA SER A 33 -10.250 9.302 9.945 1.00 0.00 C ATOM 467 C SER A 33 -9.652 10.229 8.890 1.00 0.00 C ATOM 468 O SER A 33 -8.707 9.863 8.191 1.00 0.00 O ATOM 469 CB SER A 33 -9.577 9.549 11.297 1.00 0.00 C ATOM 470 OG SER A 33 -10.195 8.789 12.320 1.00 0.00 O ATOM 0 H SER A 33 -9.201 7.680 9.132 1.00 0.00 H new ATOM 0 HA SER A 33 -11.315 9.518 10.032 1.00 0.00 H new ATOM 0 HB2 SER A 33 -8.520 9.289 11.234 1.00 0.00 H new ATOM 0 HB3 SER A 33 -9.630 10.609 11.545 1.00 0.00 H new ATOM 0 HG SER A 33 -9.746 8.963 13.173 1.00 0.00 H new ATOM 476 N ARG A 34 -10.211 11.430 8.781 1.00 0.00 N ATOM 477 CA ARG A 34 -9.735 12.408 7.812 1.00 0.00 C ATOM 478 C ARG A 34 -9.775 13.817 8.396 1.00 0.00 C ATOM 479 O ARG A 34 -10.840 14.324 8.748 1.00 0.00 O ATOM 480 CB ARG A 34 -10.580 12.349 6.538 1.00 0.00 C ATOM 481 CG ARG A 34 -12.029 12.757 6.749 1.00 0.00 C ATOM 482 CD ARG A 34 -12.889 12.401 5.547 1.00 0.00 C ATOM 483 NE ARG A 34 -14.313 12.411 5.870 1.00 0.00 N ATOM 484 CZ ARG A 34 -15.023 13.523 6.030 1.00 0.00 C ATOM 485 NH1 ARG A 34 -14.443 14.708 5.896 1.00 0.00 N ATOM 486 NH2 ARG A 34 -16.315 13.450 6.323 1.00 0.00 N ATOM 0 H ARG A 34 -10.994 11.748 9.352 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.701 12.164 7.566 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -10.134 13.000 5.786 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -10.551 11.335 6.140 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -12.422 12.263 7.638 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -12.083 13.830 6.931 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -12.695 13.108 4.741 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -12.608 11.414 5.180 1.00 0.00 H new ATOM 0 HE ARG A 34 -14.789 11.515 5.979 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -13.450 14.767 5.670 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -14.990 15.560 6.019 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -16.764 12.540 6.426 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -16.859 14.304 6.446 1.00 0.00 H new ATOM 500 N SER A 35 -8.607 14.444 8.498 1.00 0.00 N ATOM 501 CA SER A 35 -8.509 15.792 9.044 1.00 0.00 C ATOM 502 C SER A 35 -7.968 16.764 7.999 1.00 0.00 C ATOM 503 O SER A 35 -7.405 16.351 6.986 1.00 0.00 O ATOM 504 CB SER A 35 -7.606 15.800 10.280 1.00 0.00 C ATOM 505 OG SER A 35 -6.527 14.895 10.128 1.00 0.00 O ATOM 0 H SER A 35 -7.716 14.040 8.210 1.00 0.00 H new ATOM 0 HA SER A 35 -9.510 16.115 9.331 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.221 16.806 10.446 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.188 15.532 11.162 1.00 0.00 H new ATOM 0 HG SER A 35 -5.964 14.920 10.930 1.00 0.00 H new ATOM 511 N GLU A 36 -8.143 18.056 8.255 1.00 0.00 N ATOM 512 CA GLU A 36 -7.674 19.087 7.336 1.00 0.00 C ATOM 513 C GLU A 36 -6.150 19.085 7.250 1.00 0.00 C ATOM 514 O GLU A 36 -5.477 19.857 7.934 1.00 0.00 O ATOM 515 CB GLU A 36 -8.169 20.464 7.782 1.00 0.00 C ATOM 516 CG GLU A 36 -7.929 21.559 6.757 1.00 0.00 C ATOM 517 CD GLU A 36 -8.068 22.950 7.345 1.00 0.00 C ATOM 518 OE1 GLU A 36 -9.196 23.321 7.730 1.00 0.00 O ATOM 519 OE2 GLU A 36 -7.048 23.667 7.421 1.00 0.00 O ATOM 0 H GLU A 36 -8.606 18.414 9.090 1.00 0.00 H new ATOM 0 HA GLU A 36 -8.078 18.868 6.348 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.236 20.405 7.995 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.672 20.735 8.714 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.930 21.445 6.336 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.636 21.444 5.935 1.00 0.00 H new ATOM 526 N THR A 37 -5.612 18.213 6.403 1.00 0.00 N ATOM 527 CA THR A 37 -4.169 18.109 6.228 1.00 0.00 C ATOM 528 C THR A 37 -3.452 18.082 7.573 1.00 0.00 C ATOM 529 O THR A 37 -2.381 18.669 7.729 1.00 0.00 O ATOM 530 CB THR A 37 -3.619 19.279 5.390 1.00 0.00 C ATOM 531 OG1 THR A 37 -2.236 19.059 5.090 1.00 0.00 O ATOM 532 CG2 THR A 37 -3.779 20.597 6.131 1.00 0.00 C ATOM 0 H THR A 37 -6.154 17.569 5.828 1.00 0.00 H new ATOM 0 HA THR A 37 -3.982 17.174 5.701 1.00 0.00 H new ATOM 0 HB THR A 37 -4.188 19.331 4.462 1.00 0.00 H new ATOM 0 HG1 THR A 37 -1.754 18.837 5.914 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.384 21.408 5.520 1.00 0.00 H new ATOM 0 HG22 THR A 37 -4.835 20.776 6.332 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.233 20.553 7.073 1.00 0.00 H new ATOM 540 N ASP A 38 -4.049 17.397 8.542 1.00 0.00 N ATOM 541 CA ASP A 38 -3.466 17.291 9.875 1.00 0.00 C ATOM 542 C ASP A 38 -3.034 15.858 10.168 1.00 0.00 C ATOM 543 O ASP A 38 -2.079 15.625 10.907 1.00 0.00 O ATOM 544 CB ASP A 38 -4.467 17.762 10.931 1.00 0.00 C ATOM 545 CG ASP A 38 -3.788 18.380 12.138 1.00 0.00 C ATOM 546 OD1 ASP A 38 -2.733 19.025 11.959 1.00 0.00 O ATOM 547 OD2 ASP A 38 -4.310 18.218 13.261 1.00 0.00 O ATOM 0 H ASP A 38 -4.936 16.907 8.430 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.584 17.930 9.911 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.144 18.491 10.486 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.075 16.917 11.253 1.00 0.00 H new ATOM 552 N GLY A 39 -3.746 14.899 9.582 1.00 0.00 N ATOM 553 CA GLY A 39 -3.423 13.501 9.793 1.00 0.00 C ATOM 554 C GLY A 39 -4.540 12.574 9.356 1.00 0.00 C ATOM 555 O GLY A 39 -5.260 12.021 10.188 1.00 0.00 O ATOM 0 H GLY A 39 -4.541 15.067 8.965 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.515 13.254 9.243 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.211 13.336 10.849 1.00 0.00 H new ATOM 559 N THR A 40 -4.688 12.406 8.046 1.00 0.00 N ATOM 560 CA THR A 40 -5.727 11.543 7.499 1.00 0.00 C ATOM 561 C THR A 40 -5.231 10.109 7.353 1.00 0.00 C ATOM 562 O THR A 40 -4.146 9.867 6.824 1.00 0.00 O ATOM 563 CB THR A 40 -6.213 12.048 6.127 1.00 0.00 C ATOM 564 OG1 THR A 40 -6.789 13.352 6.261 1.00 0.00 O ATOM 565 CG2 THR A 40 -7.237 11.095 5.530 1.00 0.00 C ATOM 0 H THR A 40 -4.101 12.857 7.344 1.00 0.00 H new ATOM 0 HA THR A 40 -6.559 11.567 8.202 1.00 0.00 H new ATOM 0 HB THR A 40 -5.354 12.097 5.458 1.00 0.00 H new ATOM 0 HG1 THR A 40 -7.094 13.667 5.384 1.00 0.00 H new ATOM 0 HG21 THR A 40 -7.565 11.473 4.562 1.00 0.00 H new ATOM 0 HG22 THR A 40 -6.787 10.111 5.402 1.00 0.00 H new ATOM 0 HG23 THR A 40 -8.095 11.017 6.198 1.00 0.00 H new ATOM 573 N VAL A 41 -6.033 9.159 7.824 1.00 0.00 N ATOM 574 CA VAL A 41 -5.676 7.748 7.744 1.00 0.00 C ATOM 575 C VAL A 41 -6.828 6.920 7.187 1.00 0.00 C ATOM 576 O VAL A 41 -7.961 7.016 7.660 1.00 0.00 O ATOM 577 CB VAL A 41 -5.277 7.191 9.124 1.00 0.00 C ATOM 578 CG1 VAL A 41 -4.991 5.699 9.035 1.00 0.00 C ATOM 579 CG2 VAL A 41 -4.074 7.941 9.674 1.00 0.00 C ATOM 0 H VAL A 41 -6.934 9.341 8.265 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.822 7.675 7.070 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.111 7.337 9.810 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.711 5.323 10.019 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.883 5.178 8.688 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.174 5.526 8.334 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.806 7.534 10.649 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.232 7.829 8.991 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.320 8.998 9.777 1.00 0.00 H new ATOM 589 N PHE A 42 -6.532 6.106 6.180 1.00 0.00 N ATOM 590 CA PHE A 42 -7.544 5.260 5.557 1.00 0.00 C ATOM 591 C PHE A 42 -6.961 3.901 5.181 1.00 0.00 C ATOM 592 O PHE A 42 -5.805 3.802 4.768 1.00 0.00 O ATOM 593 CB PHE A 42 -8.116 5.944 4.314 1.00 0.00 C ATOM 594 CG PHE A 42 -7.128 6.067 3.189 1.00 0.00 C ATOM 595 CD1 PHE A 42 -6.878 4.994 2.348 1.00 0.00 C ATOM 596 CD2 PHE A 42 -6.449 7.255 2.972 1.00 0.00 C ATOM 597 CE1 PHE A 42 -5.969 5.104 1.313 1.00 0.00 C ATOM 598 CE2 PHE A 42 -5.539 7.371 1.939 1.00 0.00 C ATOM 599 CZ PHE A 42 -5.299 6.295 1.108 1.00 0.00 C ATOM 0 H PHE A 42 -5.599 6.014 5.777 1.00 0.00 H new ATOM 0 HA PHE A 42 -8.346 5.104 6.279 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -8.983 5.382 3.966 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -8.470 6.938 4.587 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -7.400 4.061 2.503 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -6.633 8.101 3.618 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -5.782 4.260 0.665 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -5.016 8.303 1.782 1.00 0.00 H new ATOM 0 HZ PHE A 42 -4.589 6.384 0.299 1.00 0.00 H new ATOM 609 N ARG A 43 -7.769 2.856 5.328 1.00 0.00 N ATOM 610 CA ARG A 43 -7.333 1.502 5.006 1.00 0.00 C ATOM 611 C ARG A 43 -8.370 0.788 4.144 1.00 0.00 C ATOM 612 O ARG A 43 -9.485 0.518 4.593 1.00 0.00 O ATOM 613 CB ARG A 43 -7.084 0.706 6.288 1.00 0.00 C ATOM 614 CG ARG A 43 -8.344 0.103 6.885 1.00 0.00 C ATOM 615 CD ARG A 43 -8.113 -0.370 8.312 1.00 0.00 C ATOM 616 NE ARG A 43 -9.335 -0.892 8.920 1.00 0.00 N ATOM 617 CZ ARG A 43 -9.426 -1.246 10.197 1.00 0.00 C ATOM 618 NH1 ARG A 43 -8.374 -1.135 10.996 1.00 0.00 N ATOM 619 NH2 ARG A 43 -10.572 -1.712 10.677 1.00 0.00 N ATOM 0 H ARG A 43 -8.729 2.921 5.668 1.00 0.00 H new ATOM 0 HA ARG A 43 -6.403 1.570 4.442 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -6.374 -0.093 6.077 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -6.619 1.359 7.026 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -9.145 0.842 6.871 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -8.674 -0.735 6.271 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -7.346 -1.144 8.318 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -7.735 0.458 8.912 1.00 0.00 H new ATOM 0 HE ARG A 43 -10.163 -0.990 8.332 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -7.492 -0.777 10.631 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -8.447 -1.408 11.976 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -11.384 -1.799 10.065 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -10.641 -1.984 11.658 1.00 0.00 H new ATOM 633 N ILE A 44 -7.996 0.487 2.905 1.00 0.00 N ATOM 634 CA ILE A 44 -8.893 -0.196 1.982 1.00 0.00 C ATOM 635 C ILE A 44 -8.536 -1.674 1.859 1.00 0.00 C ATOM 636 O ILE A 44 -7.361 -2.043 1.883 1.00 0.00 O ATOM 637 CB ILE A 44 -8.858 0.447 0.583 1.00 0.00 C ATOM 638 CG1 ILE A 44 -7.467 0.294 -0.037 1.00 0.00 C ATOM 639 CG2 ILE A 44 -9.248 1.915 0.665 1.00 0.00 C ATOM 640 CD1 ILE A 44 -7.288 -0.994 -0.809 1.00 0.00 C ATOM 0 H ILE A 44 -7.078 0.705 2.518 1.00 0.00 H new ATOM 0 HA ILE A 44 -9.899 -0.101 2.392 1.00 0.00 H new ATOM 0 HB ILE A 44 -9.579 -0.065 -0.055 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -7.280 1.136 -0.703 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -6.718 0.341 0.754 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -9.219 2.356 -0.332 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -10.256 2.002 1.070 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -8.549 2.441 1.315 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -6.279 -1.035 -1.220 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -7.442 -1.842 -0.142 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -8.013 -1.035 -1.622 1.00 0.00 H new ATOM 652 N HIS A 45 -9.556 -2.515 1.725 1.00 0.00 N ATOM 653 CA HIS A 45 -9.350 -3.953 1.596 1.00 0.00 C ATOM 654 C HIS A 45 -9.074 -4.334 0.144 1.00 0.00 C ATOM 655 O HIS A 45 -9.957 -4.248 -0.710 1.00 0.00 O ATOM 656 CB HIS A 45 -10.572 -4.713 2.111 1.00 0.00 C ATOM 657 CG HIS A 45 -10.253 -6.087 2.616 1.00 0.00 C ATOM 658 ND1 HIS A 45 -10.421 -7.225 1.855 1.00 0.00 N ATOM 659 CD2 HIS A 45 -9.774 -6.502 3.811 1.00 0.00 C ATOM 660 CE1 HIS A 45 -10.059 -8.281 2.562 1.00 0.00 C ATOM 661 NE2 HIS A 45 -9.662 -7.870 3.753 1.00 0.00 N ATOM 0 H HIS A 45 -10.534 -2.226 1.703 1.00 0.00 H new ATOM 0 HA HIS A 45 -8.482 -4.226 2.197 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -11.036 -4.139 2.913 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -11.306 -4.791 1.309 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -9.526 -5.874 4.654 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -10.084 -9.306 2.224 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -9.327 -8.470 4.507 1.00 0.00 H new ATOM 670 N THR A 46 -7.843 -4.754 -0.129 1.00 0.00 N ATOM 671 CA THR A 46 -7.450 -5.146 -1.477 1.00 0.00 C ATOM 672 C THR A 46 -6.825 -6.536 -1.485 1.00 0.00 C ATOM 673 O THR A 46 -6.452 -7.067 -0.438 1.00 0.00 O ATOM 674 CB THR A 46 -6.453 -4.143 -2.085 1.00 0.00 C ATOM 675 OG1 THR A 46 -6.377 -4.326 -3.503 1.00 0.00 O ATOM 676 CG2 THR A 46 -5.071 -4.314 -1.472 1.00 0.00 C ATOM 0 H THR A 46 -7.100 -4.832 0.566 1.00 0.00 H new ATOM 0 HA THR A 46 -8.357 -5.156 -2.081 1.00 0.00 H new ATOM 0 HB THR A 46 -6.807 -3.135 -1.867 1.00 0.00 H new ATOM 0 HG1 THR A 46 -5.742 -3.683 -3.882 1.00 0.00 H new ATOM 0 HG21 THR A 46 -4.384 -3.595 -1.917 1.00 0.00 H new ATOM 0 HG22 THR A 46 -5.127 -4.145 -0.397 1.00 0.00 H new ATOM 0 HG23 THR A 46 -4.711 -5.325 -1.662 1.00 0.00 H new ATOM 684 N LYS A 47 -6.712 -7.122 -2.672 1.00 0.00 N ATOM 685 CA LYS A 47 -6.129 -8.451 -2.818 1.00 0.00 C ATOM 686 C LYS A 47 -5.124 -8.481 -3.965 1.00 0.00 C ATOM 687 O LYS A 47 -5.260 -7.744 -4.941 1.00 0.00 O ATOM 688 CB LYS A 47 -7.227 -9.488 -3.060 1.00 0.00 C ATOM 689 CG LYS A 47 -8.412 -9.351 -2.118 1.00 0.00 C ATOM 690 CD LYS A 47 -9.346 -10.545 -2.220 1.00 0.00 C ATOM 691 CE LYS A 47 -10.498 -10.437 -1.232 1.00 0.00 C ATOM 692 NZ LYS A 47 -11.015 -11.776 -0.834 1.00 0.00 N ATOM 0 H LYS A 47 -7.017 -6.697 -3.548 1.00 0.00 H new ATOM 0 HA LYS A 47 -5.606 -8.695 -1.893 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.579 -9.399 -4.088 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.802 -10.486 -2.953 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -8.054 -9.254 -1.093 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -8.960 -8.438 -2.352 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -9.740 -10.615 -3.234 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -8.788 -11.462 -2.031 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -10.166 -9.897 -0.345 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -11.304 -9.854 -1.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -11.799 -11.659 -0.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -11.355 -12.281 -1.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -10.252 -12.324 -0.386 1.00 0.00 H new ATOM 706 N ALA A 48 -4.118 -9.340 -3.842 1.00 0.00 N ATOM 707 CA ALA A 48 -3.093 -9.469 -4.870 1.00 0.00 C ATOM 708 C ALA A 48 -3.276 -10.755 -5.669 1.00 0.00 C ATOM 709 O ALA A 48 -4.249 -11.482 -5.476 1.00 0.00 O ATOM 710 CB ALA A 48 -1.707 -9.427 -4.243 1.00 0.00 C ATOM 0 H ALA A 48 -3.991 -9.957 -3.040 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.194 -8.628 -5.556 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.952 -9.524 -5.023 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.571 -8.479 -3.723 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.604 -10.248 -3.533 1.00 0.00 H new ATOM 716 N GLU A 49 -2.334 -11.028 -6.567 1.00 0.00 N ATOM 717 CA GLU A 49 -2.393 -12.226 -7.395 1.00 0.00 C ATOM 718 C GLU A 49 -2.543 -13.476 -6.534 1.00 0.00 C ATOM 719 O GLU A 49 -2.883 -14.549 -7.031 1.00 0.00 O ATOM 720 CB GLU A 49 -1.136 -12.337 -8.261 1.00 0.00 C ATOM 721 CG GLU A 49 -1.127 -11.387 -9.446 1.00 0.00 C ATOM 722 CD GLU A 49 -0.009 -11.686 -10.426 1.00 0.00 C ATOM 723 OE1 GLU A 49 -0.018 -12.787 -11.016 1.00 0.00 O ATOM 724 OE2 GLU A 49 0.874 -10.821 -10.602 1.00 0.00 O ATOM 0 H GLU A 49 -1.522 -10.436 -6.739 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.266 -12.146 -8.043 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.260 -12.141 -7.642 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.046 -13.360 -8.626 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.084 -11.449 -9.963 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.025 -10.363 -9.085 1.00 0.00 H new ATOM 731 N GLY A 50 -2.286 -13.329 -5.238 1.00 0.00 N ATOM 732 CA GLY A 50 -2.397 -14.454 -4.327 1.00 0.00 C ATOM 733 C GLY A 50 -1.351 -15.519 -4.591 1.00 0.00 C ATOM 734 O GLY A 50 -0.153 -15.233 -4.606 1.00 0.00 O ATOM 0 H GLY A 50 -2.003 -12.451 -4.802 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.298 -14.098 -3.301 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.390 -14.894 -4.417 1.00 0.00 H new ATOM 738 N PHE A 51 -1.802 -16.751 -4.798 1.00 0.00 N ATOM 739 CA PHE A 51 -0.896 -17.864 -5.060 1.00 0.00 C ATOM 740 C PHE A 51 -1.620 -18.995 -5.785 1.00 0.00 C ATOM 741 O PHE A 51 -2.679 -19.446 -5.351 1.00 0.00 O ATOM 742 CB PHE A 51 -0.299 -18.382 -3.750 1.00 0.00 C ATOM 743 CG PHE A 51 0.972 -17.685 -3.354 1.00 0.00 C ATOM 744 CD1 PHE A 51 0.934 -16.477 -2.678 1.00 0.00 C ATOM 745 CD2 PHE A 51 2.205 -18.240 -3.659 1.00 0.00 C ATOM 746 CE1 PHE A 51 2.101 -15.833 -2.312 1.00 0.00 C ATOM 747 CE2 PHE A 51 3.375 -17.601 -3.295 1.00 0.00 C ATOM 748 CZ PHE A 51 3.324 -16.396 -2.622 1.00 0.00 C ATOM 0 H PHE A 51 -2.790 -17.005 -4.790 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.091 -17.503 -5.700 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.033 -18.263 -2.953 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -0.104 -19.450 -3.846 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -0.019 -16.032 -2.434 1.00 0.00 H new ATOM 0 HD2 PHE A 51 2.252 -19.181 -4.186 1.00 0.00 H new ATOM 0 HE1 PHE A 51 2.057 -14.892 -1.785 1.00 0.00 H new ATOM 0 HE2 PHE A 51 4.330 -18.044 -3.537 1.00 0.00 H new ATOM 0 HZ PHE A 51 4.238 -15.895 -2.339 1.00 0.00 H new ATOM 758 N MET A 52 -1.038 -19.448 -6.891 1.00 0.00 N ATOM 759 CA MET A 52 -1.627 -20.527 -7.676 1.00 0.00 C ATOM 760 C MET A 52 -3.112 -20.278 -7.915 1.00 0.00 C ATOM 761 O MET A 52 -3.946 -21.148 -7.662 1.00 0.00 O ATOM 762 CB MET A 52 -1.430 -21.869 -6.966 1.00 0.00 C ATOM 763 CG MET A 52 -2.087 -21.933 -5.596 1.00 0.00 C ATOM 764 SD MET A 52 -2.114 -23.604 -4.918 1.00 0.00 S ATOM 765 CE MET A 52 -3.249 -24.408 -6.046 1.00 0.00 C ATOM 0 H MET A 52 -0.160 -19.085 -7.263 1.00 0.00 H new ATOM 0 HA MET A 52 -1.122 -20.557 -8.642 1.00 0.00 H new ATOM 0 HB2 MET A 52 -1.834 -22.665 -7.592 1.00 0.00 H new ATOM 0 HB3 MET A 52 -0.362 -22.060 -6.857 1.00 0.00 H new ATOM 0 HG2 MET A 52 -1.553 -21.275 -4.910 1.00 0.00 H new ATOM 0 HG3 MET A 52 -3.108 -21.558 -5.669 1.00 0.00 H new ATOM 0 HE1 MET A 52 -3.660 -25.301 -5.574 1.00 0.00 H new ATOM 0 HE2 MET A 52 -4.060 -23.724 -6.295 1.00 0.00 H new ATOM 0 HE3 MET A 52 -2.719 -24.690 -6.956 1.00 0.00 H new ATOM 775 N ASP A 53 -3.437 -19.086 -8.403 1.00 0.00 N ATOM 776 CA ASP A 53 -4.822 -18.723 -8.677 1.00 0.00 C ATOM 777 C ASP A 53 -5.649 -18.730 -7.395 1.00 0.00 C ATOM 778 O ASP A 53 -6.740 -19.297 -7.352 1.00 0.00 O ATOM 779 CB ASP A 53 -5.432 -19.685 -9.697 1.00 0.00 C ATOM 780 CG ASP A 53 -4.918 -19.441 -11.102 1.00 0.00 C ATOM 781 OD1 ASP A 53 -4.732 -18.262 -11.469 1.00 0.00 O ATOM 782 OD2 ASP A 53 -4.702 -20.429 -11.835 1.00 0.00 O ATOM 0 H ASP A 53 -2.759 -18.354 -8.617 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.832 -17.714 -9.090 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.208 -20.711 -9.404 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.517 -19.581 -9.687 1.00 0.00 H new ATOM 787 N ALA A 54 -5.122 -18.096 -6.353 1.00 0.00 N ATOM 788 CA ALA A 54 -5.811 -18.029 -5.070 1.00 0.00 C ATOM 789 C ALA A 54 -5.762 -16.618 -4.494 1.00 0.00 C ATOM 790 O ALA A 54 -4.879 -16.292 -3.700 1.00 0.00 O ATOM 791 CB ALA A 54 -5.204 -19.023 -4.091 1.00 0.00 C ATOM 0 H ALA A 54 -4.220 -17.621 -6.372 1.00 0.00 H new ATOM 0 HA ALA A 54 -6.856 -18.291 -5.233 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -5.729 -18.961 -3.138 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.298 -20.032 -4.492 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.150 -18.789 -3.941 1.00 0.00 H new ATOM 797 N ASP A 55 -6.713 -15.784 -4.899 1.00 0.00 N ATOM 798 CA ASP A 55 -6.778 -14.408 -4.422 1.00 0.00 C ATOM 799 C ASP A 55 -6.552 -14.344 -2.915 1.00 0.00 C ATOM 800 O ASP A 55 -7.224 -15.034 -2.147 1.00 0.00 O ATOM 801 CB ASP A 55 -8.130 -13.786 -4.775 1.00 0.00 C ATOM 802 CG ASP A 55 -8.726 -14.375 -6.039 1.00 0.00 C ATOM 803 OD1 ASP A 55 -9.251 -15.506 -5.976 1.00 0.00 O ATOM 804 OD2 ASP A 55 -8.667 -13.704 -7.090 1.00 0.00 O ATOM 0 H ASP A 55 -7.450 -16.037 -5.557 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.987 -13.841 -4.914 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.823 -13.935 -3.947 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -8.010 -12.710 -4.901 1.00 0.00 H new ATOM 809 N ILE A 56 -5.603 -13.512 -2.499 1.00 0.00 N ATOM 810 CA ILE A 56 -5.290 -13.359 -1.084 1.00 0.00 C ATOM 811 C ILE A 56 -5.681 -11.973 -0.581 1.00 0.00 C ATOM 812 O ILE A 56 -5.477 -10.961 -1.252 1.00 0.00 O ATOM 813 CB ILE A 56 -3.791 -13.587 -0.811 1.00 0.00 C ATOM 814 CG1 ILE A 56 -3.388 -15.007 -1.212 1.00 0.00 C ATOM 815 CG2 ILE A 56 -3.476 -13.335 0.656 1.00 0.00 C ATOM 816 CD1 ILE A 56 -1.919 -15.301 -0.999 1.00 0.00 C ATOM 0 H ILE A 56 -5.038 -12.934 -3.121 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.868 -14.114 -0.550 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.216 -12.883 -1.412 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.980 -15.720 -0.638 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.633 -15.163 -2.263 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.413 -13.500 0.834 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.731 -12.307 0.911 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -4.058 -14.018 1.276 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.705 -16.325 -1.305 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.320 -14.612 -1.594 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.673 -15.178 0.056 1.00 0.00 H new ATOM 828 N PRO A 57 -6.257 -11.924 0.629 1.00 0.00 N ATOM 829 CA PRO A 57 -6.688 -10.668 1.251 1.00 0.00 C ATOM 830 C PRO A 57 -5.510 -9.794 1.667 1.00 0.00 C ATOM 831 O PRO A 57 -4.463 -10.298 2.076 1.00 0.00 O ATOM 832 CB PRO A 57 -7.472 -11.131 2.481 1.00 0.00 C ATOM 833 CG PRO A 57 -6.913 -12.474 2.803 1.00 0.00 C ATOM 834 CD PRO A 57 -6.532 -13.090 1.485 1.00 0.00 C ATOM 0 HA PRO A 57 -7.270 -10.052 0.565 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -7.346 -10.440 3.314 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -8.540 -11.187 2.272 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -6.047 -12.389 3.459 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -7.648 -13.088 3.323 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -5.657 -13.733 1.580 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.337 -13.704 1.081 1.00 0.00 H new ATOM 842 N LEU A 58 -5.687 -8.481 1.562 1.00 0.00 N ATOM 843 CA LEU A 58 -4.638 -7.536 1.928 1.00 0.00 C ATOM 844 C LEU A 58 -5.236 -6.212 2.392 1.00 0.00 C ATOM 845 O LEU A 58 -6.172 -5.696 1.783 1.00 0.00 O ATOM 846 CB LEU A 58 -3.701 -7.298 0.743 1.00 0.00 C ATOM 847 CG LEU A 58 -2.534 -6.342 0.991 1.00 0.00 C ATOM 848 CD1 LEU A 58 -1.413 -7.051 1.736 1.00 0.00 C ATOM 849 CD2 LEU A 58 -2.024 -5.770 -0.324 1.00 0.00 C ATOM 0 H LEU A 58 -6.547 -8.047 1.226 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.068 -7.965 2.752 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.296 -8.259 0.427 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.290 -6.912 -0.089 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.890 -5.518 1.609 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.591 -6.355 1.904 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.785 -7.412 2.695 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.059 -7.895 1.144 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.194 -5.092 -0.128 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.685 -6.582 -0.967 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.828 -5.226 -0.820 1.00 0.00 H new ATOM 861 N GLU A 59 -4.686 -5.666 3.473 1.00 0.00 N ATOM 862 CA GLU A 59 -5.166 -4.401 4.017 1.00 0.00 C ATOM 863 C GLU A 59 -4.054 -3.356 4.025 1.00 0.00 C ATOM 864 O GLU A 59 -3.189 -3.360 4.903 1.00 0.00 O ATOM 865 CB GLU A 59 -5.703 -4.601 5.436 1.00 0.00 C ATOM 866 CG GLU A 59 -6.111 -3.308 6.120 1.00 0.00 C ATOM 867 CD GLU A 59 -6.264 -3.465 7.621 1.00 0.00 C ATOM 868 OE1 GLU A 59 -7.209 -4.158 8.051 1.00 0.00 O ATOM 869 OE2 GLU A 59 -5.438 -2.894 8.364 1.00 0.00 O ATOM 0 H GLU A 59 -3.909 -6.080 3.988 1.00 0.00 H new ATOM 0 HA GLU A 59 -5.973 -4.043 3.378 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -6.563 -5.270 5.399 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -4.940 -5.096 6.038 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.365 -2.541 5.913 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -7.053 -2.959 5.697 1.00 0.00 H new ATOM 876 N LEU A 60 -4.082 -2.463 3.042 1.00 0.00 N ATOM 877 CA LEU A 60 -3.077 -1.412 2.935 1.00 0.00 C ATOM 878 C LEU A 60 -3.533 -0.147 3.655 1.00 0.00 C ATOM 879 O LEU A 60 -4.521 0.478 3.269 1.00 0.00 O ATOM 880 CB LEU A 60 -2.791 -1.101 1.465 1.00 0.00 C ATOM 881 CG LEU A 60 -1.775 -2.009 0.771 1.00 0.00 C ATOM 882 CD1 LEU A 60 -2.093 -2.133 -0.710 1.00 0.00 C ATOM 883 CD2 LEU A 60 -0.362 -1.481 0.973 1.00 0.00 C ATOM 0 H LEU A 60 -4.790 -2.446 2.308 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.163 -1.768 3.409 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -3.730 -1.153 0.914 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.437 -0.073 1.394 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.838 -3.001 1.219 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.359 -2.783 -1.187 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.089 -2.558 -0.834 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.059 -1.147 -1.173 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.348 -2.140 0.472 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.285 -0.478 0.553 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.135 -1.446 2.039 1.00 0.00 H new ATOM 895 N VAL A 61 -2.804 0.228 4.702 1.00 0.00 N ATOM 896 CA VAL A 61 -3.131 1.420 5.474 1.00 0.00 C ATOM 897 C VAL A 61 -2.124 2.535 5.216 1.00 0.00 C ATOM 898 O VAL A 61 -1.008 2.511 5.737 1.00 0.00 O ATOM 899 CB VAL A 61 -3.171 1.118 6.983 1.00 0.00 C ATOM 900 CG1 VAL A 61 -3.729 2.307 7.751 1.00 0.00 C ATOM 901 CG2 VAL A 61 -3.991 -0.134 7.254 1.00 0.00 C ATOM 0 H VAL A 61 -1.983 -0.277 5.035 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.120 1.745 5.150 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.152 0.939 7.327 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.750 2.075 8.816 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.097 3.179 7.582 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.741 2.520 7.406 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.009 -0.333 8.326 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.010 0.014 6.896 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.543 -0.982 6.735 1.00 0.00 H new ATOM 911 N PHE A 62 -2.524 3.512 4.409 1.00 0.00 N ATOM 912 CA PHE A 62 -1.656 4.637 4.082 1.00 0.00 C ATOM 913 C PHE A 62 -1.986 5.849 4.948 1.00 0.00 C ATOM 914 O PHE A 62 -3.141 6.269 5.034 1.00 0.00 O ATOM 915 CB PHE A 62 -1.794 5.001 2.602 1.00 0.00 C ATOM 916 CG PHE A 62 -1.261 3.947 1.674 1.00 0.00 C ATOM 917 CD1 PHE A 62 0.103 3.807 1.474 1.00 0.00 C ATOM 918 CD2 PHE A 62 -2.123 3.097 1.001 1.00 0.00 C ATOM 919 CE1 PHE A 62 0.596 2.839 0.619 1.00 0.00 C ATOM 920 CE2 PHE A 62 -1.636 2.126 0.146 1.00 0.00 C ATOM 921 CZ PHE A 62 -0.275 1.997 -0.044 1.00 0.00 C ATOM 0 H PHE A 62 -3.444 3.547 3.969 1.00 0.00 H new ATOM 0 HA PHE A 62 -0.627 4.339 4.282 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -2.846 5.175 2.375 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.268 5.938 2.416 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.789 4.461 1.992 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -3.189 3.194 1.146 1.00 0.00 H new ATOM 0 HE1 PHE A 62 1.661 2.741 0.470 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.319 1.470 -0.372 1.00 0.00 H new ATOM 0 HZ PHE A 62 0.108 1.238 -0.710 1.00 0.00 H new ATOM 931 N HIS A 63 -0.964 6.408 5.588 1.00 0.00 N ATOM 932 CA HIS A 63 -1.145 7.572 6.448 1.00 0.00 C ATOM 933 C HIS A 63 -0.571 8.825 5.794 1.00 0.00 C ATOM 934 O HIS A 63 0.624 8.893 5.500 1.00 0.00 O ATOM 935 CB HIS A 63 -0.478 7.339 7.804 1.00 0.00 C ATOM 936 CG HIS A 63 -0.140 8.605 8.531 1.00 0.00 C ATOM 937 ND1 HIS A 63 1.146 8.944 8.894 1.00 0.00 N ATOM 938 CD2 HIS A 63 -0.931 9.616 8.961 1.00 0.00 C ATOM 939 CE1 HIS A 63 1.132 10.109 9.517 1.00 0.00 C ATOM 940 NE2 HIS A 63 -0.116 10.538 9.571 1.00 0.00 N ATOM 0 H HIS A 63 -0.002 6.074 5.527 1.00 0.00 H new ATOM 0 HA HIS A 63 -2.214 7.719 6.598 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -1.140 6.738 8.427 1.00 0.00 H new ATOM 0 HB3 HIS A 63 0.434 6.760 7.657 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -2.003 9.685 8.846 1.00 0.00 H new ATOM 0 HE1 HIS A 63 1.995 10.623 9.915 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -0.424 11.412 9.997 1.00 0.00 H new ATOM 949 N LEU A 64 -1.428 9.814 5.568 1.00 0.00 N ATOM 950 CA LEU A 64 -1.006 11.065 4.948 1.00 0.00 C ATOM 951 C LEU A 64 -0.807 12.154 5.997 1.00 0.00 C ATOM 952 O LEU A 64 -1.757 12.783 6.463 1.00 0.00 O ATOM 953 CB LEU A 64 -2.040 11.520 3.916 1.00 0.00 C ATOM 954 CG LEU A 64 -2.422 10.492 2.850 1.00 0.00 C ATOM 955 CD1 LEU A 64 -3.599 10.989 2.026 1.00 0.00 C ATOM 956 CD2 LEU A 64 -1.231 10.186 1.954 1.00 0.00 C ATOM 0 H LEU A 64 -2.419 9.774 5.805 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.054 10.890 4.448 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.945 11.818 4.445 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.657 12.408 3.414 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.720 9.571 3.351 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.856 10.244 1.273 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.456 11.156 2.679 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.330 11.924 1.535 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.521 9.453 1.201 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.902 11.101 1.461 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.416 9.785 2.556 1.00 0.00 H new ATOM 968 N PRO A 65 0.459 12.383 6.379 1.00 0.00 N ATOM 969 CA PRO A 65 0.813 13.398 7.376 1.00 0.00 C ATOM 970 C PRO A 65 0.609 14.817 6.857 1.00 0.00 C ATOM 971 O PRO A 65 -0.066 15.029 5.850 1.00 0.00 O ATOM 972 CB PRO A 65 2.298 13.133 7.639 1.00 0.00 C ATOM 973 CG PRO A 65 2.792 12.480 6.394 1.00 0.00 C ATOM 974 CD PRO A 65 1.641 11.670 5.866 1.00 0.00 C ATOM 0 HA PRO A 65 0.189 13.329 8.267 1.00 0.00 H new ATOM 0 HB2 PRO A 65 2.836 14.059 7.841 1.00 0.00 H new ATOM 0 HB3 PRO A 65 2.438 12.488 8.507 1.00 0.00 H new ATOM 0 HG2 PRO A 65 3.113 13.224 5.664 1.00 0.00 H new ATOM 0 HG3 PRO A 65 3.653 11.845 6.602 1.00 0.00 H new ATOM 0 HD2 PRO A 65 1.644 11.629 4.777 1.00 0.00 H new ATOM 0 HD3 PRO A 65 1.676 10.641 6.224 1.00 0.00 H new ATOM 982 N VAL A 66 1.197 15.786 7.551 1.00 0.00 N ATOM 983 CA VAL A 66 1.081 17.186 7.159 1.00 0.00 C ATOM 984 C VAL A 66 2.265 17.617 6.301 1.00 0.00 C ATOM 985 O VAL A 66 2.146 18.509 5.463 1.00 0.00 O ATOM 986 CB VAL A 66 0.989 18.107 8.389 1.00 0.00 C ATOM 987 CG1 VAL A 66 -0.249 17.781 9.211 1.00 0.00 C ATOM 988 CG2 VAL A 66 2.247 17.991 9.236 1.00 0.00 C ATOM 0 H VAL A 66 1.759 15.627 8.388 1.00 0.00 H new ATOM 0 HA VAL A 66 0.164 17.277 6.577 1.00 0.00 H new ATOM 0 HB VAL A 66 0.904 19.137 8.043 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.296 18.443 10.076 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.140 17.921 8.598 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.199 16.746 9.548 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.165 18.649 10.101 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.365 16.961 9.573 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.114 18.280 8.642 1.00 0.00 H new ATOM 998 N ASN A 67 3.409 16.976 6.518 1.00 0.00 N ATOM 999 CA ASN A 67 4.617 17.293 5.765 1.00 0.00 C ATOM 1000 C ASN A 67 4.550 16.707 4.357 1.00 0.00 C ATOM 1001 O ASN A 67 4.949 17.351 3.386 1.00 0.00 O ATOM 1002 CB ASN A 67 5.853 16.759 6.493 1.00 0.00 C ATOM 1003 CG ASN A 67 6.245 17.623 7.676 1.00 0.00 C ATOM 1004 OD1 ASN A 67 6.556 18.804 7.520 1.00 0.00 O ATOM 1005 ND2 ASN A 67 6.232 17.036 8.867 1.00 0.00 N ATOM 0 H ASN A 67 3.525 16.234 7.209 1.00 0.00 H new ATOM 0 HA ASN A 67 4.691 18.378 5.686 1.00 0.00 H new ATOM 0 HB2 ASN A 67 5.658 15.743 6.837 1.00 0.00 H new ATOM 0 HB3 ASN A 67 6.688 16.704 5.794 1.00 0.00 H new ATOM 0 HD21 ASN A 67 6.487 17.567 9.700 1.00 0.00 H new ATOM 0 HD22 ASN A 67 5.967 16.054 8.949 1.00 0.00 H new ATOM 1012 N TYR A 68 4.043 15.484 4.255 1.00 0.00 N ATOM 1013 CA TYR A 68 3.925 14.811 2.967 1.00 0.00 C ATOM 1014 C TYR A 68 3.479 15.785 1.882 1.00 0.00 C ATOM 1015 O TYR A 68 2.767 16.756 2.138 1.00 0.00 O ATOM 1016 CB TYR A 68 2.935 13.649 3.064 1.00 0.00 C ATOM 1017 CG TYR A 68 2.199 13.372 1.773 1.00 0.00 C ATOM 1018 CD1 TYR A 68 1.319 14.303 1.237 1.00 0.00 C ATOM 1019 CD2 TYR A 68 2.386 12.177 1.087 1.00 0.00 C ATOM 1020 CE1 TYR A 68 0.644 14.053 0.058 1.00 0.00 C ATOM 1021 CE2 TYR A 68 1.717 11.919 -0.093 1.00 0.00 C ATOM 1022 CZ TYR A 68 0.847 12.860 -0.604 1.00 0.00 C ATOM 1023 OH TYR A 68 0.178 12.608 -1.780 1.00 0.00 O ATOM 0 H TYR A 68 3.707 14.938 5.049 1.00 0.00 H new ATOM 0 HA TYR A 68 4.907 14.421 2.698 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.472 12.750 3.367 1.00 0.00 H new ATOM 0 HB3 TYR A 68 2.209 13.866 3.847 1.00 0.00 H new ATOM 0 HD1 TYR A 68 1.159 15.239 1.751 1.00 0.00 H new ATOM 0 HD2 TYR A 68 3.066 11.438 1.484 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -0.039 14.787 -0.343 1.00 0.00 H new ATOM 0 HE2 TYR A 68 1.874 10.986 -0.613 1.00 0.00 H new ATOM 0 HH TYR A 68 0.434 11.725 -2.119 1.00 0.00 H new ATOM 1033 N PRO A 69 3.908 15.521 0.639 1.00 0.00 N ATOM 1034 CA PRO A 69 4.757 14.369 0.322 1.00 0.00 C ATOM 1035 C PRO A 69 6.167 14.517 0.882 1.00 0.00 C ATOM 1036 O PRO A 69 6.966 13.582 0.833 1.00 0.00 O ATOM 1037 CB PRO A 69 4.787 14.360 -1.208 1.00 0.00 C ATOM 1038 CG PRO A 69 4.524 15.773 -1.600 1.00 0.00 C ATOM 1039 CD PRO A 69 3.597 16.327 -0.554 1.00 0.00 C ATOM 0 HA PRO A 69 4.373 13.447 0.759 1.00 0.00 H new ATOM 0 HB2 PRO A 69 5.752 14.018 -1.583 1.00 0.00 H new ATOM 0 HB3 PRO A 69 4.031 13.689 -1.615 1.00 0.00 H new ATOM 0 HG2 PRO A 69 5.451 16.345 -1.643 1.00 0.00 H new ATOM 0 HG3 PRO A 69 4.071 15.826 -2.590 1.00 0.00 H new ATOM 0 HD2 PRO A 69 3.776 17.388 -0.380 1.00 0.00 H new ATOM 0 HD3 PRO A 69 2.552 16.224 -0.848 1.00 0.00 H new ATOM 1047 N SER A 70 6.467 15.697 1.415 1.00 0.00 N ATOM 1048 CA SER A 70 7.783 15.969 1.982 1.00 0.00 C ATOM 1049 C SER A 70 8.313 14.750 2.731 1.00 0.00 C ATOM 1050 O SER A 70 9.468 14.357 2.560 1.00 0.00 O ATOM 1051 CB SER A 70 7.717 17.172 2.924 1.00 0.00 C ATOM 1052 OG SER A 70 9.011 17.540 3.371 1.00 0.00 O ATOM 0 H SER A 70 5.816 16.481 1.466 1.00 0.00 H new ATOM 0 HA SER A 70 8.465 16.196 1.163 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.252 18.014 2.412 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.087 16.933 3.781 1.00 0.00 H new ATOM 0 HG SER A 70 8.943 18.312 3.971 1.00 0.00 H new ATOM 1058 N CYS A 71 7.462 14.157 3.560 1.00 0.00 N ATOM 1059 CA CYS A 71 7.844 12.983 4.337 1.00 0.00 C ATOM 1060 C CYS A 71 7.246 11.715 3.737 1.00 0.00 C ATOM 1061 O CYS A 71 6.438 11.776 2.808 1.00 0.00 O ATOM 1062 CB CYS A 71 7.391 13.137 5.790 1.00 0.00 C ATOM 1063 SG CYS A 71 8.364 12.178 6.973 1.00 0.00 S ATOM 0 H CYS A 71 6.503 14.469 3.712 1.00 0.00 H new ATOM 0 HA CYS A 71 8.930 12.898 4.310 1.00 0.00 H new ATOM 0 HB2 CYS A 71 7.441 14.191 6.065 1.00 0.00 H new ATOM 0 HB3 CYS A 71 6.346 12.836 5.867 1.00 0.00 H new ATOM 0 HG CYS A 71 7.906 12.376 8.173 1.00 0.00 H new ATOM 1069 N LEU A 72 7.647 10.567 4.271 1.00 0.00 N ATOM 1070 CA LEU A 72 7.152 9.283 3.787 1.00 0.00 C ATOM 1071 C LEU A 72 5.840 8.912 4.473 1.00 0.00 C ATOM 1072 O LEU A 72 5.688 9.044 5.687 1.00 0.00 O ATOM 1073 CB LEU A 72 8.193 8.189 4.027 1.00 0.00 C ATOM 1074 CG LEU A 72 9.457 8.266 3.171 1.00 0.00 C ATOM 1075 CD1 LEU A 72 10.608 7.540 3.850 1.00 0.00 C ATOM 1076 CD2 LEU A 72 9.200 7.686 1.788 1.00 0.00 C ATOM 0 H LEU A 72 8.314 10.499 5.040 1.00 0.00 H new ATOM 0 HA LEU A 72 6.969 9.372 2.716 1.00 0.00 H new ATOM 0 HB2 LEU A 72 8.487 8.219 5.076 1.00 0.00 H new ATOM 0 HB3 LEU A 72 7.721 7.222 3.855 1.00 0.00 H new ATOM 0 HG LEU A 72 9.733 9.315 3.058 1.00 0.00 H new ATOM 0 HD11 LEU A 72 11.499 7.606 3.225 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.808 8.000 4.818 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.343 6.493 3.994 1.00 0.00 H new ATOM 0 HD21 LEU A 72 10.111 7.749 1.192 1.00 0.00 H new ATOM 0 HD22 LEU A 72 8.899 6.643 1.881 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.406 8.250 1.299 1.00 0.00 H new ATOM 1088 N PRO A 73 4.871 8.435 3.678 1.00 0.00 N ATOM 1089 CA PRO A 73 3.557 8.032 4.187 1.00 0.00 C ATOM 1090 C PRO A 73 3.625 6.763 5.029 1.00 0.00 C ATOM 1091 O PRO A 73 4.352 5.827 4.700 1.00 0.00 O ATOM 1092 CB PRO A 73 2.744 7.785 2.913 1.00 0.00 C ATOM 1093 CG PRO A 73 3.759 7.452 1.875 1.00 0.00 C ATOM 1094 CD PRO A 73 4.984 8.252 2.221 1.00 0.00 C ATOM 0 HA PRO A 73 3.126 8.787 4.845 1.00 0.00 H new ATOM 0 HB2 PRO A 73 2.034 6.969 3.048 1.00 0.00 H new ATOM 0 HB3 PRO A 73 2.167 8.667 2.634 1.00 0.00 H new ATOM 0 HG2 PRO A 73 3.978 6.384 1.872 1.00 0.00 H new ATOM 0 HG3 PRO A 73 3.396 7.705 0.879 1.00 0.00 H new ATOM 0 HD2 PRO A 73 5.898 7.723 1.952 1.00 0.00 H new ATOM 0 HD3 PRO A 73 5.002 9.207 1.696 1.00 0.00 H new ATOM 1102 N GLY A 74 2.863 6.740 6.119 1.00 0.00 N ATOM 1103 CA GLY A 74 2.852 5.580 6.991 1.00 0.00 C ATOM 1104 C GLY A 74 2.263 4.355 6.320 1.00 0.00 C ATOM 1105 O GLY A 74 1.043 4.218 6.226 1.00 0.00 O ATOM 0 H GLY A 74 2.254 7.503 6.413 1.00 0.00 H new ATOM 0 HA2 GLY A 74 3.871 5.361 7.311 1.00 0.00 H new ATOM 0 HA3 GLY A 74 2.278 5.810 7.889 1.00 0.00 H new ATOM 1109 N ILE A 75 3.130 3.464 5.852 1.00 0.00 N ATOM 1110 CA ILE A 75 2.688 2.246 5.186 1.00 0.00 C ATOM 1111 C ILE A 75 2.628 1.076 6.163 1.00 0.00 C ATOM 1112 O ILE A 75 3.558 0.852 6.937 1.00 0.00 O ATOM 1113 CB ILE A 75 3.618 1.875 4.015 1.00 0.00 C ATOM 1114 CG1 ILE A 75 3.642 2.999 2.978 1.00 0.00 C ATOM 1115 CG2 ILE A 75 3.170 0.568 3.377 1.00 0.00 C ATOM 1116 CD1 ILE A 75 4.780 2.885 1.989 1.00 0.00 C ATOM 0 H ILE A 75 4.143 3.563 5.922 1.00 0.00 H new ATOM 0 HA ILE A 75 1.689 2.444 4.797 1.00 0.00 H new ATOM 0 HB ILE A 75 4.628 1.741 4.401 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.697 3.000 2.434 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.714 3.957 3.494 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.837 0.319 2.551 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.200 -0.229 4.120 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.152 0.676 3.002 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.734 3.715 1.284 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.730 2.914 2.523 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.697 1.943 1.446 1.00 0.00 H new ATOM 1128 N SER A 76 1.527 0.332 6.119 1.00 0.00 N ATOM 1129 CA SER A 76 1.344 -0.814 7.002 1.00 0.00 C ATOM 1130 C SER A 76 0.779 -2.005 6.235 1.00 0.00 C ATOM 1131 O SER A 76 -0.224 -1.885 5.531 1.00 0.00 O ATOM 1132 CB SER A 76 0.412 -0.449 8.159 1.00 0.00 C ATOM 1133 OG SER A 76 0.231 -1.549 9.035 1.00 0.00 O ATOM 0 H SER A 76 0.749 0.502 5.482 1.00 0.00 H new ATOM 0 HA SER A 76 2.318 -1.092 7.404 1.00 0.00 H new ATOM 0 HB2 SER A 76 0.826 0.395 8.711 1.00 0.00 H new ATOM 0 HB3 SER A 76 -0.553 -0.131 7.766 1.00 0.00 H new ATOM 0 HG SER A 76 -0.367 -1.290 9.767 1.00 0.00 H new ATOM 1139 N ILE A 77 1.429 -3.155 6.378 1.00 0.00 N ATOM 1140 CA ILE A 77 0.992 -4.369 5.700 1.00 0.00 C ATOM 1141 C ILE A 77 0.475 -5.400 6.697 1.00 0.00 C ATOM 1142 O ILE A 77 1.131 -5.697 7.695 1.00 0.00 O ATOM 1143 CB ILE A 77 2.132 -4.996 4.876 1.00 0.00 C ATOM 1144 CG1 ILE A 77 2.723 -3.963 3.914 1.00 0.00 C ATOM 1145 CG2 ILE A 77 1.628 -6.211 4.112 1.00 0.00 C ATOM 1146 CD1 ILE A 77 1.723 -3.427 2.914 1.00 0.00 C ATOM 0 H ILE A 77 2.260 -3.271 6.957 1.00 0.00 H new ATOM 0 HA ILE A 77 0.184 -4.080 5.027 1.00 0.00 H new ATOM 0 HB ILE A 77 2.917 -5.321 5.559 1.00 0.00 H new ATOM 0 HG12 ILE A 77 3.129 -3.132 4.491 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.556 -4.415 3.376 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.446 -6.643 3.535 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.250 -6.952 4.816 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.827 -5.910 3.437 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.211 -2.700 2.265 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.335 -4.248 2.312 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.901 -2.946 3.444 1.00 0.00 H new ATOM 1158 N ASN A 78 -0.706 -5.943 6.420 1.00 0.00 N ATOM 1159 CA ASN A 78 -1.312 -6.943 7.293 1.00 0.00 C ATOM 1160 C ASN A 78 -2.284 -7.825 6.517 1.00 0.00 C ATOM 1161 O ASN A 78 -3.263 -7.339 5.951 1.00 0.00 O ATOM 1162 CB ASN A 78 -2.038 -6.262 8.455 1.00 0.00 C ATOM 1163 CG ASN A 78 -1.091 -5.509 9.368 1.00 0.00 C ATOM 1164 OD1 ASN A 78 -0.062 -6.039 9.787 1.00 0.00 O ATOM 1165 ND2 ASN A 78 -1.435 -4.265 9.681 1.00 0.00 N ATOM 0 H ASN A 78 -1.263 -5.708 5.598 1.00 0.00 H new ATOM 0 HA ASN A 78 -0.516 -7.573 7.690 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.783 -5.571 8.059 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -2.576 -7.013 9.034 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -0.837 -3.709 10.292 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -2.297 -3.866 9.311 1.00 0.00 H new ATOM 1172 N SER A 79 -2.008 -9.125 6.495 1.00 0.00 N ATOM 1173 CA SER A 79 -2.856 -10.076 5.786 1.00 0.00 C ATOM 1174 C SER A 79 -3.294 -11.207 6.710 1.00 0.00 C ATOM 1175 O SER A 79 -2.606 -11.536 7.676 1.00 0.00 O ATOM 1176 CB SER A 79 -2.115 -10.648 4.576 1.00 0.00 C ATOM 1177 OG SER A 79 -2.658 -11.900 4.191 1.00 0.00 O ATOM 0 H SER A 79 -1.203 -9.544 6.961 1.00 0.00 H new ATOM 0 HA SER A 79 -3.745 -9.547 5.442 1.00 0.00 H new ATOM 0 HB2 SER A 79 -2.179 -9.949 3.742 1.00 0.00 H new ATOM 0 HB3 SER A 79 -1.058 -10.764 4.814 1.00 0.00 H new ATOM 0 HG SER A 79 -3.309 -11.767 3.471 1.00 0.00 H new ATOM 1183 N GLU A 80 -4.445 -11.799 6.406 1.00 0.00 N ATOM 1184 CA GLU A 80 -4.977 -12.893 7.210 1.00 0.00 C ATOM 1185 C GLU A 80 -4.127 -14.150 7.048 1.00 0.00 C ATOM 1186 O GLU A 80 -4.120 -15.023 7.915 1.00 0.00 O ATOM 1187 CB GLU A 80 -6.425 -13.189 6.815 1.00 0.00 C ATOM 1188 CG GLU A 80 -7.226 -13.874 7.910 1.00 0.00 C ATOM 1189 CD GLU A 80 -6.895 -15.348 8.040 1.00 0.00 C ATOM 1190 OE1 GLU A 80 -6.506 -15.962 7.024 1.00 0.00 O ATOM 1191 OE2 GLU A 80 -7.023 -15.888 9.159 1.00 0.00 O ATOM 0 H GLU A 80 -5.026 -11.539 5.609 1.00 0.00 H new ATOM 0 HA GLU A 80 -4.949 -12.588 8.256 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -6.918 -12.255 6.546 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.429 -13.819 5.925 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -7.033 -13.377 8.861 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.290 -13.761 7.701 1.00 0.00 H new ATOM 1198 N GLN A 81 -3.413 -14.234 5.930 1.00 0.00 N ATOM 1199 CA GLN A 81 -2.560 -15.385 5.653 1.00 0.00 C ATOM 1200 C GLN A 81 -1.115 -15.099 6.047 1.00 0.00 C ATOM 1201 O GLN A 81 -0.555 -15.764 6.920 1.00 0.00 O ATOM 1202 CB GLN A 81 -2.633 -15.755 4.171 1.00 0.00 C ATOM 1203 CG GLN A 81 -3.893 -16.519 3.796 1.00 0.00 C ATOM 1204 CD GLN A 81 -3.957 -17.890 4.439 1.00 0.00 C ATOM 1205 OE1 GLN A 81 -3.165 -18.210 5.326 1.00 0.00 O ATOM 1206 NE2 GLN A 81 -4.904 -18.709 3.995 1.00 0.00 N ATOM 0 H GLN A 81 -3.408 -13.520 5.202 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.920 -16.224 6.248 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.579 -14.844 3.575 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -1.762 -16.357 3.912 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -4.767 -15.940 4.095 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -3.939 -16.628 2.712 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -5.539 -18.402 3.258 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -4.996 -19.644 4.391 1.00 0.00 H new ATOM 1215 N LEU A 82 -0.516 -14.106 5.399 1.00 0.00 N ATOM 1216 CA LEU A 82 0.866 -13.732 5.682 1.00 0.00 C ATOM 1217 C LEU A 82 1.082 -13.540 7.180 1.00 0.00 C ATOM 1218 O LEU A 82 0.186 -13.090 7.896 1.00 0.00 O ATOM 1219 CB LEU A 82 1.231 -12.448 4.934 1.00 0.00 C ATOM 1220 CG LEU A 82 0.970 -12.453 3.427 1.00 0.00 C ATOM 1221 CD1 LEU A 82 1.051 -11.042 2.867 1.00 0.00 C ATOM 1222 CD2 LEU A 82 1.959 -13.368 2.718 1.00 0.00 C ATOM 0 H LEU A 82 -0.965 -13.546 4.675 1.00 0.00 H new ATOM 0 HA LEU A 82 1.513 -14.540 5.341 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.674 -11.622 5.376 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.289 -12.243 5.099 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.036 -12.834 3.253 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.863 -11.065 1.794 1.00 0.00 H new ATOM 0 HD12 LEU A 82 0.304 -10.414 3.353 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.044 -10.633 3.052 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.759 -13.360 1.647 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.975 -13.017 2.900 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.853 -14.384 3.099 1.00 0.00 H new ATOM 1234 N THR A 83 2.279 -13.881 7.648 1.00 0.00 N ATOM 1235 CA THR A 83 2.614 -13.745 9.060 1.00 0.00 C ATOM 1236 C THR A 83 3.327 -12.425 9.331 1.00 0.00 C ATOM 1237 O THR A 83 3.536 -11.623 8.421 1.00 0.00 O ATOM 1238 CB THR A 83 3.506 -14.906 9.540 1.00 0.00 C ATOM 1239 OG1 THR A 83 4.699 -14.966 8.749 1.00 0.00 O ATOM 1240 CG2 THR A 83 2.764 -16.231 9.450 1.00 0.00 C ATOM 0 H THR A 83 3.032 -14.253 7.070 1.00 0.00 H new ATOM 0 HA THR A 83 1.674 -13.767 9.612 1.00 0.00 H new ATOM 0 HB THR A 83 3.770 -14.726 10.582 1.00 0.00 H new ATOM 0 HG1 THR A 83 5.262 -15.705 9.061 1.00 0.00 H new ATOM 0 HG21 THR A 83 3.414 -17.036 9.794 1.00 0.00 H new ATOM 0 HG22 THR A 83 1.872 -16.192 10.076 1.00 0.00 H new ATOM 0 HG23 THR A 83 2.474 -16.416 8.416 1.00 0.00 H new ATOM 1248 N ARG A 84 3.700 -12.207 10.588 1.00 0.00 N ATOM 1249 CA ARG A 84 4.390 -10.984 10.979 1.00 0.00 C ATOM 1250 C ARG A 84 5.651 -10.780 10.144 1.00 0.00 C ATOM 1251 O ARG A 84 6.000 -9.653 9.794 1.00 0.00 O ATOM 1252 CB ARG A 84 4.751 -11.029 12.465 1.00 0.00 C ATOM 1253 CG ARG A 84 5.360 -9.736 12.983 1.00 0.00 C ATOM 1254 CD ARG A 84 5.019 -9.507 14.447 1.00 0.00 C ATOM 1255 NE ARG A 84 3.701 -8.900 14.613 1.00 0.00 N ATOM 1256 CZ ARG A 84 3.446 -7.619 14.371 1.00 0.00 C ATOM 1257 NH1 ARG A 84 4.414 -6.815 13.953 1.00 0.00 N ATOM 1258 NH2 ARG A 84 2.221 -7.141 14.545 1.00 0.00 N ATOM 0 H ARG A 84 3.536 -12.862 11.353 1.00 0.00 H new ATOM 0 HA ARG A 84 3.717 -10.145 10.801 1.00 0.00 H new ATOM 0 HB2 ARG A 84 3.854 -11.255 13.042 1.00 0.00 H new ATOM 0 HB3 ARG A 84 5.453 -11.845 12.635 1.00 0.00 H new ATOM 0 HG2 ARG A 84 6.443 -9.768 12.861 1.00 0.00 H new ATOM 0 HG3 ARG A 84 4.997 -8.898 12.388 1.00 0.00 H new ATOM 0 HD2 ARG A 84 5.050 -10.458 14.980 1.00 0.00 H new ATOM 0 HD3 ARG A 84 5.774 -8.864 14.899 1.00 0.00 H new ATOM 0 HE ARG A 84 2.934 -9.492 14.932 1.00 0.00 H new ATOM 0 HH11 ARG A 84 5.357 -7.180 13.817 1.00 0.00 H new ATOM 0 HH12 ARG A 84 4.216 -5.832 13.768 1.00 0.00 H new ATOM 0 HH21 ARG A 84 1.474 -7.757 14.865 1.00 0.00 H new ATOM 0 HH22 ARG A 84 2.026 -6.157 14.359 1.00 0.00 H new ATOM 1272 N ALA A 85 6.329 -11.878 9.829 1.00 0.00 N ATOM 1273 CA ALA A 85 7.550 -11.821 9.034 1.00 0.00 C ATOM 1274 C ALA A 85 7.243 -11.475 7.581 1.00 0.00 C ATOM 1275 O ALA A 85 7.900 -10.622 6.985 1.00 0.00 O ATOM 1276 CB ALA A 85 8.297 -13.144 9.118 1.00 0.00 C ATOM 0 H ALA A 85 6.054 -12.818 10.112 1.00 0.00 H new ATOM 0 HA ALA A 85 8.183 -11.033 9.441 1.00 0.00 H new ATOM 0 HB1 ALA A 85 9.206 -13.087 8.520 1.00 0.00 H new ATOM 0 HB2 ALA A 85 8.558 -13.349 10.156 1.00 0.00 H new ATOM 0 HB3 ALA A 85 7.663 -13.945 8.738 1.00 0.00 H new ATOM 1282 N GLN A 86 6.242 -12.143 7.017 1.00 0.00 N ATOM 1283 CA GLN A 86 5.850 -11.906 5.633 1.00 0.00 C ATOM 1284 C GLN A 86 5.303 -10.493 5.456 1.00 0.00 C ATOM 1285 O GLN A 86 5.364 -9.926 4.365 1.00 0.00 O ATOM 1286 CB GLN A 86 4.801 -12.929 5.195 1.00 0.00 C ATOM 1287 CG GLN A 86 5.397 -14.228 4.677 1.00 0.00 C ATOM 1288 CD GLN A 86 6.350 -14.868 5.668 1.00 0.00 C ATOM 1289 OE1 GLN A 86 7.356 -14.272 6.053 1.00 0.00 O ATOM 1290 NE2 GLN A 86 6.038 -16.090 6.085 1.00 0.00 N ATOM 0 H GLN A 86 5.688 -12.852 7.497 1.00 0.00 H new ATOM 0 HA GLN A 86 6.736 -12.014 5.008 1.00 0.00 H new ATOM 0 HB2 GLN A 86 4.147 -13.150 6.038 1.00 0.00 H new ATOM 0 HB3 GLN A 86 4.179 -12.488 4.416 1.00 0.00 H new ATOM 0 HG2 GLN A 86 4.592 -14.927 4.449 1.00 0.00 H new ATOM 0 HG3 GLN A 86 5.925 -14.034 3.744 1.00 0.00 H new ATOM 0 HE21 GLN A 86 5.194 -16.547 5.740 1.00 0.00 H new ATOM 0 HE22 GLN A 86 6.642 -16.572 6.751 1.00 0.00 H new ATOM 1299 N CYS A 87 4.770 -9.931 6.535 1.00 0.00 N ATOM 1300 CA CYS A 87 4.211 -8.584 6.499 1.00 0.00 C ATOM 1301 C CYS A 87 5.289 -7.541 6.776 1.00 0.00 C ATOM 1302 O CYS A 87 5.523 -6.644 5.966 1.00 0.00 O ATOM 1303 CB CYS A 87 3.081 -8.451 7.520 1.00 0.00 C ATOM 1304 SG CYS A 87 1.658 -9.517 7.189 1.00 0.00 S ATOM 0 H CYS A 87 4.713 -10.387 7.446 1.00 0.00 H new ATOM 0 HA CYS A 87 3.810 -8.410 5.500 1.00 0.00 H new ATOM 0 HB2 CYS A 87 3.472 -8.682 8.511 1.00 0.00 H new ATOM 0 HB3 CYS A 87 2.747 -7.414 7.543 1.00 0.00 H new ATOM 0 HG CYS A 87 1.964 -10.749 7.471 1.00 0.00 H new ATOM 1310 N VAL A 88 5.941 -7.663 7.928 1.00 0.00 N ATOM 1311 CA VAL A 88 6.994 -6.731 8.313 1.00 0.00 C ATOM 1312 C VAL A 88 7.912 -6.421 7.136 1.00 0.00 C ATOM 1313 O VAL A 88 8.411 -5.303 7.000 1.00 0.00 O ATOM 1314 CB VAL A 88 7.838 -7.286 9.476 1.00 0.00 C ATOM 1315 CG1 VAL A 88 8.897 -8.247 8.955 1.00 0.00 C ATOM 1316 CG2 VAL A 88 8.476 -6.150 10.261 1.00 0.00 C ATOM 0 H VAL A 88 5.758 -8.398 8.611 1.00 0.00 H new ATOM 0 HA VAL A 88 6.501 -5.814 8.637 1.00 0.00 H new ATOM 0 HB VAL A 88 7.181 -7.837 10.149 1.00 0.00 H new ATOM 0 HG11 VAL A 88 9.484 -8.629 9.790 1.00 0.00 H new ATOM 0 HG12 VAL A 88 8.413 -9.078 8.441 1.00 0.00 H new ATOM 0 HG13 VAL A 88 9.553 -7.723 8.260 1.00 0.00 H new ATOM 0 HG21 VAL A 88 9.068 -6.561 11.079 1.00 0.00 H new ATOM 0 HG22 VAL A 88 9.121 -5.569 9.602 1.00 0.00 H new ATOM 0 HG23 VAL A 88 7.696 -5.505 10.666 1.00 0.00 H new ATOM 1326 N THR A 89 8.131 -7.418 6.285 1.00 0.00 N ATOM 1327 CA THR A 89 8.989 -7.253 5.118 1.00 0.00 C ATOM 1328 C THR A 89 8.310 -6.401 4.052 1.00 0.00 C ATOM 1329 O THR A 89 8.714 -5.266 3.801 1.00 0.00 O ATOM 1330 CB THR A 89 9.371 -8.614 4.505 1.00 0.00 C ATOM 1331 OG1 THR A 89 10.091 -9.398 5.463 1.00 0.00 O ATOM 1332 CG2 THR A 89 10.219 -8.425 3.256 1.00 0.00 C ATOM 0 H THR A 89 7.726 -8.349 6.382 1.00 0.00 H new ATOM 0 HA THR A 89 9.893 -6.750 5.459 1.00 0.00 H new ATOM 0 HB THR A 89 8.454 -9.134 4.227 1.00 0.00 H new ATOM 0 HG1 THR A 89 9.457 -9.866 6.046 1.00 0.00 H new ATOM 0 HG21 THR A 89 10.477 -9.399 2.840 1.00 0.00 H new ATOM 0 HG22 THR A 89 9.657 -7.853 2.518 1.00 0.00 H new ATOM 0 HG23 THR A 89 11.132 -7.887 3.514 1.00 0.00 H new ATOM 1340 N VAL A 90 7.275 -6.955 3.429 1.00 0.00 N ATOM 1341 CA VAL A 90 6.539 -6.244 2.390 1.00 0.00 C ATOM 1342 C VAL A 90 6.417 -4.761 2.720 1.00 0.00 C ATOM 1343 O VAL A 90 6.524 -3.907 1.840 1.00 0.00 O ATOM 1344 CB VAL A 90 5.128 -6.834 2.200 1.00 0.00 C ATOM 1345 CG1 VAL A 90 4.334 -6.004 1.203 1.00 0.00 C ATOM 1346 CG2 VAL A 90 5.214 -8.285 1.750 1.00 0.00 C ATOM 0 H VAL A 90 6.927 -7.894 3.625 1.00 0.00 H new ATOM 0 HA VAL A 90 7.103 -6.362 1.465 1.00 0.00 H new ATOM 0 HB VAL A 90 4.608 -6.805 3.157 1.00 0.00 H new ATOM 0 HG11 VAL A 90 3.340 -6.435 1.081 1.00 0.00 H new ATOM 0 HG12 VAL A 90 4.244 -4.982 1.571 1.00 0.00 H new ATOM 0 HG13 VAL A 90 4.848 -6.000 0.242 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.209 -8.686 1.621 1.00 0.00 H new ATOM 0 HG22 VAL A 90 5.752 -8.341 0.803 1.00 0.00 H new ATOM 0 HG23 VAL A 90 5.743 -8.869 2.503 1.00 0.00 H new ATOM 1356 N LYS A 91 6.194 -4.460 3.995 1.00 0.00 N ATOM 1357 CA LYS A 91 6.060 -3.079 4.444 1.00 0.00 C ATOM 1358 C LYS A 91 7.398 -2.351 4.370 1.00 0.00 C ATOM 1359 O LYS A 91 7.563 -1.415 3.589 1.00 0.00 O ATOM 1360 CB LYS A 91 5.522 -3.037 5.875 1.00 0.00 C ATOM 1361 CG LYS A 91 5.515 -1.644 6.481 1.00 0.00 C ATOM 1362 CD LYS A 91 5.629 -1.694 7.996 1.00 0.00 C ATOM 1363 CE LYS A 91 6.083 -0.359 8.565 1.00 0.00 C ATOM 1364 NZ LYS A 91 5.549 -0.131 9.937 1.00 0.00 N ATOM 0 H LYS A 91 6.102 -5.155 4.736 1.00 0.00 H new ATOM 0 HA LYS A 91 5.355 -2.574 3.783 1.00 0.00 H new ATOM 0 HB2 LYS A 91 4.507 -3.433 5.884 1.00 0.00 H new ATOM 0 HB3 LYS A 91 6.126 -3.694 6.501 1.00 0.00 H new ATOM 0 HG2 LYS A 91 6.342 -1.064 6.072 1.00 0.00 H new ATOM 0 HG3 LYS A 91 4.596 -1.129 6.201 1.00 0.00 H new ATOM 0 HD2 LYS A 91 4.665 -1.965 8.426 1.00 0.00 H new ATOM 0 HD3 LYS A 91 6.336 -2.472 8.283 1.00 0.00 H new ATOM 0 HE2 LYS A 91 7.172 -0.326 8.589 1.00 0.00 H new ATOM 0 HE3 LYS A 91 5.754 0.447 7.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 5.881 0.789 10.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 4.509 -0.137 9.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 5.884 -0.886 10.570 1.00 0.00 H new ATOM 1378 N GLU A 92 8.350 -2.788 5.189 1.00 0.00 N ATOM 1379 CA GLU A 92 9.674 -2.177 5.215 1.00 0.00 C ATOM 1380 C GLU A 92 10.189 -1.933 3.800 1.00 0.00 C ATOM 1381 O GLU A 92 10.750 -0.877 3.504 1.00 0.00 O ATOM 1382 CB GLU A 92 10.656 -3.066 5.981 1.00 0.00 C ATOM 1383 CG GLU A 92 10.667 -2.812 7.479 1.00 0.00 C ATOM 1384 CD GLU A 92 11.325 -1.495 7.842 1.00 0.00 C ATOM 1385 OE1 GLU A 92 12.487 -1.281 7.438 1.00 0.00 O ATOM 1386 OE2 GLU A 92 10.678 -0.677 8.529 1.00 0.00 O ATOM 0 H GLU A 92 8.229 -3.562 5.842 1.00 0.00 H new ATOM 0 HA GLU A 92 9.592 -1.216 5.724 1.00 0.00 H new ATOM 0 HB2 GLU A 92 10.404 -4.111 5.800 1.00 0.00 H new ATOM 0 HB3 GLU A 92 11.660 -2.907 5.587 1.00 0.00 H new ATOM 0 HG2 GLU A 92 9.643 -2.817 7.852 1.00 0.00 H new ATOM 0 HG3 GLU A 92 11.192 -3.626 7.978 1.00 0.00 H new ATOM 1393 N LYS A 93 9.994 -2.916 2.928 1.00 0.00 N ATOM 1394 CA LYS A 93 10.437 -2.810 1.543 1.00 0.00 C ATOM 1395 C LYS A 93 9.755 -1.640 0.841 1.00 0.00 C ATOM 1396 O LYS A 93 10.406 -0.845 0.162 1.00 0.00 O ATOM 1397 CB LYS A 93 10.143 -4.111 0.791 1.00 0.00 C ATOM 1398 CG LYS A 93 10.739 -5.342 1.450 1.00 0.00 C ATOM 1399 CD LYS A 93 12.251 -5.375 1.304 1.00 0.00 C ATOM 1400 CE LYS A 93 12.671 -6.049 0.006 1.00 0.00 C ATOM 1401 NZ LYS A 93 12.846 -7.518 0.175 1.00 0.00 N ATOM 0 H LYS A 93 9.532 -3.796 3.156 1.00 0.00 H new ATOM 0 HA LYS A 93 11.512 -2.633 1.545 1.00 0.00 H new ATOM 0 HB2 LYS A 93 9.063 -4.239 0.711 1.00 0.00 H new ATOM 0 HB3 LYS A 93 10.530 -4.029 -0.225 1.00 0.00 H new ATOM 0 HG2 LYS A 93 10.474 -5.354 2.507 1.00 0.00 H new ATOM 0 HG3 LYS A 93 10.310 -6.239 1.004 1.00 0.00 H new ATOM 0 HD2 LYS A 93 12.642 -4.358 1.330 1.00 0.00 H new ATOM 0 HD3 LYS A 93 12.688 -5.907 2.149 1.00 0.00 H new ATOM 0 HE2 LYS A 93 11.921 -5.859 -0.761 1.00 0.00 H new ATOM 0 HE3 LYS A 93 13.605 -5.610 -0.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 12.914 -7.969 -0.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 13.716 -7.704 0.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 12.030 -7.908 0.689 1.00 0.00 H new ATOM 1415 N LEU A 94 8.441 -1.539 1.011 1.00 0.00 N ATOM 1416 CA LEU A 94 7.671 -0.464 0.395 1.00 0.00 C ATOM 1417 C LEU A 94 8.250 0.899 0.760 1.00 0.00 C ATOM 1418 O LEU A 94 8.395 1.774 -0.095 1.00 0.00 O ATOM 1419 CB LEU A 94 6.207 -0.543 0.833 1.00 0.00 C ATOM 1420 CG LEU A 94 5.396 -1.704 0.257 1.00 0.00 C ATOM 1421 CD1 LEU A 94 4.300 -2.121 1.226 1.00 0.00 C ATOM 1422 CD2 LEU A 94 4.803 -1.324 -1.091 1.00 0.00 C ATOM 0 H LEU A 94 7.887 -2.188 1.570 1.00 0.00 H new ATOM 0 HA LEU A 94 7.727 -0.584 -0.687 1.00 0.00 H new ATOM 0 HB2 LEU A 94 6.177 -0.609 1.921 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.715 0.390 0.557 1.00 0.00 H new ATOM 0 HG LEU A 94 6.065 -2.552 0.110 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.733 -2.948 0.800 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.748 -2.436 2.168 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.633 -1.278 1.405 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.229 -2.163 -1.486 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.148 -0.461 -0.970 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.606 -1.076 -1.785 1.00 0.00 H new ATOM 1434 N LEU A 95 8.581 1.073 2.035 1.00 0.00 N ATOM 1435 CA LEU A 95 9.148 2.329 2.514 1.00 0.00 C ATOM 1436 C LEU A 95 10.309 2.775 1.631 1.00 0.00 C ATOM 1437 O LEU A 95 10.397 3.940 1.247 1.00 0.00 O ATOM 1438 CB LEU A 95 9.620 2.180 3.961 1.00 0.00 C ATOM 1439 CG LEU A 95 8.564 2.421 5.040 1.00 0.00 C ATOM 1440 CD1 LEU A 95 8.109 3.872 5.026 1.00 0.00 C ATOM 1441 CD2 LEU A 95 7.380 1.486 4.846 1.00 0.00 C ATOM 0 H LEU A 95 8.467 0.360 2.756 1.00 0.00 H new ATOM 0 HA LEU A 95 8.369 3.090 2.469 1.00 0.00 H new ATOM 0 HB2 LEU A 95 10.019 1.174 4.090 1.00 0.00 H new ATOM 0 HB3 LEU A 95 10.444 2.874 4.126 1.00 0.00 H new ATOM 0 HG LEU A 95 9.010 2.211 6.012 1.00 0.00 H new ATOM 0 HD11 LEU A 95 7.357 4.025 5.800 1.00 0.00 H new ATOM 0 HD12 LEU A 95 8.963 4.523 5.215 1.00 0.00 H new ATOM 0 HD13 LEU A 95 7.680 4.110 4.052 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.639 1.672 5.623 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.933 1.663 3.868 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.719 0.452 4.908 1.00 0.00 H new ATOM 1453 N GLU A 96 11.197 1.838 1.312 1.00 0.00 N ATOM 1454 CA GLU A 96 12.352 2.135 0.473 1.00 0.00 C ATOM 1455 C GLU A 96 11.915 2.724 -0.865 1.00 0.00 C ATOM 1456 O GLU A 96 12.383 3.789 -1.267 1.00 0.00 O ATOM 1457 CB GLU A 96 13.179 0.869 0.240 1.00 0.00 C ATOM 1458 CG GLU A 96 14.176 0.580 1.350 1.00 0.00 C ATOM 1459 CD GLU A 96 15.078 -0.596 1.032 1.00 0.00 C ATOM 1460 OE1 GLU A 96 15.500 -0.722 -0.136 1.00 0.00 O ATOM 1461 OE2 GLU A 96 15.363 -1.390 1.953 1.00 0.00 O ATOM 0 H GLU A 96 11.139 0.868 1.622 1.00 0.00 H new ATOM 0 HA GLU A 96 12.966 2.871 0.991 1.00 0.00 H new ATOM 0 HB2 GLU A 96 12.505 0.019 0.138 1.00 0.00 H new ATOM 0 HB3 GLU A 96 13.716 0.965 -0.704 1.00 0.00 H new ATOM 0 HG2 GLU A 96 14.787 1.465 1.524 1.00 0.00 H new ATOM 0 HG3 GLU A 96 13.636 0.379 2.275 1.00 0.00 H new ATOM 1468 N GLN A 97 11.016 2.023 -1.548 1.00 0.00 N ATOM 1469 CA GLN A 97 10.517 2.476 -2.841 1.00 0.00 C ATOM 1470 C GLN A 97 9.894 3.863 -2.729 1.00 0.00 C ATOM 1471 O GLN A 97 10.193 4.755 -3.522 1.00 0.00 O ATOM 1472 CB GLN A 97 9.490 1.485 -3.391 1.00 0.00 C ATOM 1473 CG GLN A 97 10.112 0.302 -4.114 1.00 0.00 C ATOM 1474 CD GLN A 97 9.188 -0.298 -5.156 1.00 0.00 C ATOM 1475 OE1 GLN A 97 7.968 -0.304 -4.990 1.00 0.00 O ATOM 1476 NE2 GLN A 97 9.766 -0.805 -6.239 1.00 0.00 N ATOM 0 H GLN A 97 10.619 1.140 -1.228 1.00 0.00 H new ATOM 0 HA GLN A 97 11.361 2.532 -3.528 1.00 0.00 H new ATOM 0 HB2 GLN A 97 8.877 1.116 -2.569 1.00 0.00 H new ATOM 0 HB3 GLN A 97 8.823 2.009 -4.076 1.00 0.00 H new ATOM 0 HG2 GLN A 97 11.037 0.621 -4.595 1.00 0.00 H new ATOM 0 HG3 GLN A 97 10.379 -0.464 -3.386 1.00 0.00 H new ATOM 0 HE21 GLN A 97 10.781 -0.779 -6.335 1.00 0.00 H new ATOM 0 HE22 GLN A 97 9.195 -1.221 -6.975 1.00 0.00 H new ATOM 1485 N ALA A 98 9.025 4.038 -1.738 1.00 0.00 N ATOM 1486 CA ALA A 98 8.361 5.317 -1.521 1.00 0.00 C ATOM 1487 C ALA A 98 9.334 6.478 -1.698 1.00 0.00 C ATOM 1488 O ALA A 98 9.059 7.420 -2.440 1.00 0.00 O ATOM 1489 CB ALA A 98 7.735 5.357 -0.135 1.00 0.00 C ATOM 0 H ALA A 98 8.765 3.310 -1.073 1.00 0.00 H new ATOM 0 HA ALA A 98 7.573 5.421 -2.267 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.242 6.318 0.014 1.00 0.00 H new ATOM 0 HB2 ALA A 98 7.002 4.555 -0.043 1.00 0.00 H new ATOM 0 HB3 ALA A 98 8.511 5.227 0.619 1.00 0.00 H new ATOM 1495 N GLU A 99 10.469 6.402 -1.012 1.00 0.00 N ATOM 1496 CA GLU A 99 11.481 7.449 -1.094 1.00 0.00 C ATOM 1497 C GLU A 99 11.679 7.903 -2.537 1.00 0.00 C ATOM 1498 O GLU A 99 11.454 9.067 -2.869 1.00 0.00 O ATOM 1499 CB GLU A 99 12.809 6.952 -0.517 1.00 0.00 C ATOM 1500 CG GLU A 99 12.962 7.213 0.972 1.00 0.00 C ATOM 1501 CD GLU A 99 14.245 6.634 1.537 1.00 0.00 C ATOM 1502 OE1 GLU A 99 14.323 5.396 1.682 1.00 0.00 O ATOM 1503 OE2 GLU A 99 15.170 7.419 1.834 1.00 0.00 O ATOM 0 H GLU A 99 10.711 5.628 -0.394 1.00 0.00 H new ATOM 0 HA GLU A 99 11.134 8.300 -0.508 1.00 0.00 H new ATOM 0 HB2 GLU A 99 12.897 5.881 -0.700 1.00 0.00 H new ATOM 0 HB3 GLU A 99 13.629 7.435 -1.048 1.00 0.00 H new ATOM 0 HG2 GLU A 99 12.942 8.288 1.153 1.00 0.00 H new ATOM 0 HG3 GLU A 99 12.111 6.785 1.501 1.00 0.00 H new ATOM 1510 N SER A 100 12.102 6.976 -3.390 1.00 0.00 N ATOM 1511 CA SER A 100 12.335 7.281 -4.797 1.00 0.00 C ATOM 1512 C SER A 100 11.089 7.887 -5.435 1.00 0.00 C ATOM 1513 O SER A 100 11.182 8.735 -6.324 1.00 0.00 O ATOM 1514 CB SER A 100 12.745 6.016 -5.554 1.00 0.00 C ATOM 1515 OG SER A 100 13.298 6.335 -6.819 1.00 0.00 O ATOM 0 H SER A 100 12.290 6.007 -3.132 1.00 0.00 H new ATOM 0 HA SER A 100 13.144 8.010 -4.856 1.00 0.00 H new ATOM 0 HB2 SER A 100 13.473 5.457 -4.966 1.00 0.00 H new ATOM 0 HB3 SER A 100 11.877 5.370 -5.686 1.00 0.00 H new ATOM 0 HG SER A 100 13.553 5.510 -7.282 1.00 0.00 H new ATOM 1521 N LEU A 101 9.923 7.448 -4.974 1.00 0.00 N ATOM 1522 CA LEU A 101 8.656 7.946 -5.498 1.00 0.00 C ATOM 1523 C LEU A 101 8.102 9.060 -4.616 1.00 0.00 C ATOM 1524 O LEU A 101 6.896 9.134 -4.374 1.00 0.00 O ATOM 1525 CB LEU A 101 7.640 6.807 -5.600 1.00 0.00 C ATOM 1526 CG LEU A 101 7.843 5.828 -6.757 1.00 0.00 C ATOM 1527 CD1 LEU A 101 7.278 4.461 -6.404 1.00 0.00 C ATOM 1528 CD2 LEU A 101 7.198 6.362 -8.027 1.00 0.00 C ATOM 0 H LEU A 101 9.829 6.748 -4.238 1.00 0.00 H new ATOM 0 HA LEU A 101 8.838 8.352 -6.493 1.00 0.00 H new ATOM 0 HB2 LEU A 101 7.660 6.244 -4.667 1.00 0.00 H new ATOM 0 HB3 LEU A 101 6.644 7.242 -5.689 1.00 0.00 H new ATOM 0 HG LEU A 101 8.913 5.722 -6.934 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.431 3.777 -7.239 1.00 0.00 H new ATOM 0 HD12 LEU A 101 7.786 4.074 -5.520 1.00 0.00 H new ATOM 0 HD13 LEU A 101 6.211 4.550 -6.199 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.353 5.652 -8.840 1.00 0.00 H new ATOM 0 HD22 LEU A 101 6.129 6.498 -7.863 1.00 0.00 H new ATOM 0 HD23 LEU A 101 7.650 7.319 -8.290 1.00 0.00 H new ATOM 1540 N LEU A 102 8.989 9.926 -4.139 1.00 0.00 N ATOM 1541 CA LEU A 102 8.589 11.039 -3.284 1.00 0.00 C ATOM 1542 C LEU A 102 7.904 12.132 -4.099 1.00 0.00 C ATOM 1543 O LEU A 102 7.768 12.019 -5.317 1.00 0.00 O ATOM 1544 CB LEU A 102 9.806 11.615 -2.559 1.00 0.00 C ATOM 1545 CG LEU A 102 10.132 10.996 -1.199 1.00 0.00 C ATOM 1546 CD1 LEU A 102 11.492 11.468 -0.710 1.00 0.00 C ATOM 1547 CD2 LEU A 102 9.050 11.339 -0.185 1.00 0.00 C ATOM 0 H LEU A 102 9.990 9.879 -4.329 1.00 0.00 H new ATOM 0 HA LEU A 102 7.880 10.662 -2.547 1.00 0.00 H new ATOM 0 HB2 LEU A 102 10.676 11.502 -3.205 1.00 0.00 H new ATOM 0 HB3 LEU A 102 9.649 12.685 -2.421 1.00 0.00 H new ATOM 0 HG LEU A 102 10.166 9.912 -1.313 1.00 0.00 H new ATOM 0 HD11 LEU A 102 11.707 11.017 0.259 1.00 0.00 H new ATOM 0 HD12 LEU A 102 12.259 11.172 -1.426 1.00 0.00 H new ATOM 0 HD13 LEU A 102 11.487 12.554 -0.612 1.00 0.00 H new ATOM 0 HD21 LEU A 102 9.298 10.891 0.777 1.00 0.00 H new ATOM 0 HD22 LEU A 102 8.985 12.421 -0.075 1.00 0.00 H new ATOM 0 HD23 LEU A 102 8.092 10.951 -0.530 1.00 0.00 H new ATOM 1559 N SER A 103 7.476 13.190 -3.417 1.00 0.00 N ATOM 1560 CA SER A 103 6.804 14.303 -4.077 1.00 0.00 C ATOM 1561 C SER A 103 5.890 13.803 -5.191 1.00 0.00 C ATOM 1562 O SER A 103 5.669 14.494 -6.185 1.00 0.00 O ATOM 1563 CB SER A 103 7.833 15.282 -4.647 1.00 0.00 C ATOM 1564 OG SER A 103 7.234 16.528 -4.957 1.00 0.00 O ATOM 0 H SER A 103 7.583 13.300 -2.409 1.00 0.00 H new ATOM 0 HA SER A 103 6.194 14.818 -3.335 1.00 0.00 H new ATOM 0 HB2 SER A 103 8.637 15.431 -3.926 1.00 0.00 H new ATOM 0 HB3 SER A 103 8.284 14.859 -5.544 1.00 0.00 H new ATOM 0 HG SER A 103 6.488 16.387 -5.576 1.00 0.00 H new ATOM 1570 N GLU A 104 5.362 12.595 -5.017 1.00 0.00 N ATOM 1571 CA GLU A 104 4.472 12.001 -6.008 1.00 0.00 C ATOM 1572 C GLU A 104 3.547 10.974 -5.362 1.00 0.00 C ATOM 1573 O GLU A 104 3.807 10.467 -4.271 1.00 0.00 O ATOM 1574 CB GLU A 104 5.284 11.342 -7.125 1.00 0.00 C ATOM 1575 CG GLU A 104 5.634 12.287 -8.262 1.00 0.00 C ATOM 1576 CD GLU A 104 4.437 13.076 -8.754 1.00 0.00 C ATOM 1577 OE1 GLU A 104 3.738 12.588 -9.666 1.00 0.00 O ATOM 1578 OE2 GLU A 104 4.200 14.183 -8.226 1.00 0.00 O ATOM 0 H GLU A 104 5.535 12.009 -4.200 1.00 0.00 H new ATOM 0 HA GLU A 104 3.861 12.797 -6.434 1.00 0.00 H new ATOM 0 HB2 GLU A 104 6.204 10.938 -6.704 1.00 0.00 H new ATOM 0 HB3 GLU A 104 4.719 10.500 -7.525 1.00 0.00 H new ATOM 0 HG2 GLU A 104 6.408 12.978 -7.930 1.00 0.00 H new ATOM 0 HG3 GLU A 104 6.052 11.714 -9.090 1.00 0.00 H new ATOM 1585 N PRO A 105 2.440 10.659 -6.051 1.00 0.00 N ATOM 1586 CA PRO A 105 1.453 9.690 -5.564 1.00 0.00 C ATOM 1587 C PRO A 105 1.987 8.262 -5.580 1.00 0.00 C ATOM 1588 O PRO A 105 1.947 7.586 -6.607 1.00 0.00 O ATOM 1589 CB PRO A 105 0.294 9.838 -6.553 1.00 0.00 C ATOM 1590 CG PRO A 105 0.923 10.354 -7.800 1.00 0.00 C ATOM 1591 CD PRO A 105 2.066 11.225 -7.358 1.00 0.00 C ATOM 0 HA PRO A 105 1.174 9.878 -4.527 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -0.203 8.883 -6.726 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -0.462 10.527 -6.177 1.00 0.00 H new ATOM 0 HG2 PRO A 105 1.276 9.535 -8.427 1.00 0.00 H new ATOM 0 HG3 PRO A 105 0.206 10.922 -8.392 1.00 0.00 H new ATOM 0 HD2 PRO A 105 2.896 11.188 -8.064 1.00 0.00 H new ATOM 0 HD3 PRO A 105 1.766 12.269 -7.273 1.00 0.00 H new ATOM 1599 N MET A 106 2.486 7.809 -4.434 1.00 0.00 N ATOM 1600 CA MET A 106 3.027 6.460 -4.317 1.00 0.00 C ATOM 1601 C MET A 106 1.960 5.488 -3.822 1.00 0.00 C ATOM 1602 O MET A 106 1.958 4.313 -4.190 1.00 0.00 O ATOM 1603 CB MET A 106 4.224 6.448 -3.365 1.00 0.00 C ATOM 1604 CG MET A 106 3.885 6.907 -1.956 1.00 0.00 C ATOM 1605 SD MET A 106 4.077 8.686 -1.740 1.00 0.00 S ATOM 1606 CE MET A 106 5.847 8.810 -1.498 1.00 0.00 C ATOM 0 H MET A 106 2.527 8.356 -3.574 1.00 0.00 H new ATOM 0 HA MET A 106 3.355 6.140 -5.306 1.00 0.00 H new ATOM 0 HB2 MET A 106 4.633 5.438 -3.321 1.00 0.00 H new ATOM 0 HB3 MET A 106 5.006 7.091 -3.769 1.00 0.00 H new ATOM 0 HG2 MET A 106 2.858 6.626 -1.724 1.00 0.00 H new ATOM 0 HG3 MET A 106 4.527 6.387 -1.245 1.00 0.00 H new ATOM 0 HE1 MET A 106 6.172 9.830 -1.703 1.00 0.00 H new ATOM 0 HE2 MET A 106 6.092 8.551 -0.468 1.00 0.00 H new ATOM 0 HE3 MET A 106 6.356 8.124 -2.176 1.00 0.00 H new ATOM 1616 N VAL A 107 1.054 5.986 -2.986 1.00 0.00 N ATOM 1617 CA VAL A 107 -0.018 5.162 -2.442 1.00 0.00 C ATOM 1618 C VAL A 107 -0.550 4.190 -3.490 1.00 0.00 C ATOM 1619 O VAL A 107 -0.640 2.986 -3.247 1.00 0.00 O ATOM 1620 CB VAL A 107 -1.182 6.026 -1.922 1.00 0.00 C ATOM 1621 CG1 VAL A 107 -2.275 5.150 -1.330 1.00 0.00 C ATOM 1622 CG2 VAL A 107 -0.681 7.033 -0.897 1.00 0.00 C ATOM 0 H VAL A 107 1.042 6.956 -2.671 1.00 0.00 H new ATOM 0 HA VAL A 107 0.407 4.599 -1.611 1.00 0.00 H new ATOM 0 HB VAL A 107 -1.606 6.576 -2.762 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.089 5.778 -0.968 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.653 4.472 -2.096 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.868 4.570 -0.501 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -1.517 7.635 -0.540 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -0.230 6.504 -0.057 1.00 0.00 H new ATOM 0 HG23 VAL A 107 0.063 7.682 -1.358 1.00 0.00 H new ATOM 1632 N HIS A 108 -0.902 4.721 -4.656 1.00 0.00 N ATOM 1633 CA HIS A 108 -1.425 3.900 -5.743 1.00 0.00 C ATOM 1634 C HIS A 108 -0.323 3.040 -6.353 1.00 0.00 C ATOM 1635 O HIS A 108 -0.369 1.813 -6.281 1.00 0.00 O ATOM 1636 CB HIS A 108 -2.054 4.784 -6.821 1.00 0.00 C ATOM 1637 CG HIS A 108 -2.758 4.011 -7.893 1.00 0.00 C ATOM 1638 ND1 HIS A 108 -2.433 4.111 -9.230 1.00 0.00 N ATOM 1639 CD2 HIS A 108 -3.775 3.120 -7.820 1.00 0.00 C ATOM 1640 CE1 HIS A 108 -3.221 3.316 -9.932 1.00 0.00 C ATOM 1641 NE2 HIS A 108 -4.044 2.704 -9.101 1.00 0.00 N ATOM 0 H HIS A 108 -0.835 5.715 -4.873 1.00 0.00 H new ATOM 0 HA HIS A 108 -2.190 3.241 -5.332 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -2.762 5.467 -6.352 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -1.276 5.396 -7.277 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -4.280 2.797 -6.922 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -3.196 3.188 -11.004 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -4.763 2.031 -9.367 1.00 0.00 H new ATOM 1650 N GLU A 109 0.667 3.693 -6.954 1.00 0.00 N ATOM 1651 CA GLU A 109 1.780 2.987 -7.577 1.00 0.00 C ATOM 1652 C GLU A 109 2.152 1.743 -6.776 1.00 0.00 C ATOM 1653 O GLU A 109 2.170 0.631 -7.307 1.00 0.00 O ATOM 1654 CB GLU A 109 2.994 3.910 -7.700 1.00 0.00 C ATOM 1655 CG GLU A 109 2.983 4.768 -8.954 1.00 0.00 C ATOM 1656 CD GLU A 109 2.716 3.961 -10.210 1.00 0.00 C ATOM 1657 OE1 GLU A 109 3.668 3.349 -10.737 1.00 0.00 O ATOM 1658 OE2 GLU A 109 1.553 3.942 -10.665 1.00 0.00 O ATOM 0 H GLU A 109 0.721 4.709 -7.022 1.00 0.00 H new ATOM 0 HA GLU A 109 1.467 2.676 -8.574 1.00 0.00 H new ATOM 0 HB2 GLU A 109 3.036 4.560 -6.826 1.00 0.00 H new ATOM 0 HB3 GLU A 109 3.901 3.306 -7.691 1.00 0.00 H new ATOM 0 HG2 GLU A 109 2.221 5.541 -8.854 1.00 0.00 H new ATOM 0 HG3 GLU A 109 3.942 5.277 -9.050 1.00 0.00 H new ATOM 1665 N LEU A 110 2.449 1.937 -5.496 1.00 0.00 N ATOM 1666 CA LEU A 110 2.822 0.832 -4.620 1.00 0.00 C ATOM 1667 C LEU A 110 1.840 -0.327 -4.759 1.00 0.00 C ATOM 1668 O LEU A 110 2.213 -1.425 -5.174 1.00 0.00 O ATOM 1669 CB LEU A 110 2.871 1.302 -3.166 1.00 0.00 C ATOM 1670 CG LEU A 110 3.846 2.440 -2.861 1.00 0.00 C ATOM 1671 CD1 LEU A 110 3.425 3.180 -1.600 1.00 0.00 C ATOM 1672 CD2 LEU A 110 5.263 1.905 -2.720 1.00 0.00 C ATOM 0 H LEU A 110 2.439 2.850 -5.041 1.00 0.00 H new ATOM 0 HA LEU A 110 3.812 0.484 -4.916 1.00 0.00 H new ATOM 0 HB2 LEU A 110 1.870 1.620 -2.874 1.00 0.00 H new ATOM 0 HB3 LEU A 110 3.131 0.450 -2.538 1.00 0.00 H new ATOM 0 HG LEU A 110 3.826 3.143 -3.694 1.00 0.00 H new ATOM 0 HD11 LEU A 110 4.130 3.986 -1.399 1.00 0.00 H new ATOM 0 HD12 LEU A 110 2.427 3.597 -1.739 1.00 0.00 H new ATOM 0 HD13 LEU A 110 3.415 2.488 -0.758 1.00 0.00 H new ATOM 0 HD21 LEU A 110 5.943 2.729 -2.503 1.00 0.00 H new ATOM 0 HD22 LEU A 110 5.299 1.181 -1.906 1.00 0.00 H new ATOM 0 HD23 LEU A 110 5.564 1.422 -3.650 1.00 0.00 H new ATOM 1684 N VAL A 111 0.582 -0.075 -4.411 1.00 0.00 N ATOM 1685 CA VAL A 111 -0.455 -1.097 -4.500 1.00 0.00 C ATOM 1686 C VAL A 111 -0.237 -1.997 -5.711 1.00 0.00 C ATOM 1687 O VAL A 111 -0.290 -3.223 -5.604 1.00 0.00 O ATOM 1688 CB VAL A 111 -1.857 -0.466 -4.588 1.00 0.00 C ATOM 1689 CG1 VAL A 111 -2.908 -1.535 -4.847 1.00 0.00 C ATOM 1690 CG2 VAL A 111 -2.174 0.308 -3.317 1.00 0.00 C ATOM 0 H VAL A 111 0.256 0.828 -4.065 1.00 0.00 H new ATOM 0 HA VAL A 111 -0.390 -1.695 -3.591 1.00 0.00 H new ATOM 0 HB VAL A 111 -1.870 0.233 -5.424 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -3.892 -1.071 -4.906 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -2.688 -2.041 -5.787 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -2.897 -2.260 -4.034 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -3.168 0.747 -3.397 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -2.143 -0.368 -2.462 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -1.438 1.100 -3.180 1.00 0.00 H new ATOM 1700 N LEU A 112 0.008 -1.381 -6.862 1.00 0.00 N ATOM 1701 CA LEU A 112 0.235 -2.127 -8.095 1.00 0.00 C ATOM 1702 C LEU A 112 1.601 -2.807 -8.077 1.00 0.00 C ATOM 1703 O LEU A 112 1.740 -3.952 -8.506 1.00 0.00 O ATOM 1704 CB LEU A 112 0.132 -1.196 -9.304 1.00 0.00 C ATOM 1705 CG LEU A 112 -1.272 -0.700 -9.652 1.00 0.00 C ATOM 1706 CD1 LEU A 112 -1.206 0.397 -10.703 1.00 0.00 C ATOM 1707 CD2 LEU A 112 -2.140 -1.853 -10.135 1.00 0.00 C ATOM 0 H LEU A 112 0.055 -0.368 -6.967 1.00 0.00 H new ATOM 0 HA LEU A 112 -0.533 -2.897 -8.171 1.00 0.00 H new ATOM 0 HB2 LEU A 112 0.768 -0.329 -9.125 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.538 -1.715 -10.172 1.00 0.00 H new ATOM 0 HG LEU A 112 -1.723 -0.284 -8.751 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -2.215 0.737 -10.938 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -0.621 1.233 -10.320 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.735 0.008 -11.606 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -3.136 -1.482 -10.378 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -1.692 -2.299 -11.023 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -2.215 -2.606 -9.350 1.00 0.00 H new ATOM 1719 N TRP A 113 2.603 -2.094 -7.577 1.00 0.00 N ATOM 1720 CA TRP A 113 3.958 -2.630 -7.501 1.00 0.00 C ATOM 1721 C TRP A 113 3.987 -3.924 -6.695 1.00 0.00 C ATOM 1722 O TRP A 113 4.516 -4.938 -7.152 1.00 0.00 O ATOM 1723 CB TRP A 113 4.900 -1.601 -6.873 1.00 0.00 C ATOM 1724 CG TRP A 113 6.258 -2.154 -6.560 1.00 0.00 C ATOM 1725 CD1 TRP A 113 7.284 -2.353 -7.438 1.00 0.00 C ATOM 1726 CD2 TRP A 113 6.735 -2.579 -5.279 1.00 0.00 C ATOM 1727 NE1 TRP A 113 8.371 -2.877 -6.780 1.00 0.00 N ATOM 1728 CE2 TRP A 113 8.060 -3.024 -5.455 1.00 0.00 C ATOM 1729 CE3 TRP A 113 6.174 -2.625 -4.000 1.00 0.00 C ATOM 1730 CZ2 TRP A 113 8.828 -3.509 -4.400 1.00 0.00 C ATOM 1731 CZ3 TRP A 113 6.937 -3.107 -2.954 1.00 0.00 C ATOM 1732 CH2 TRP A 113 8.253 -3.543 -3.158 1.00 0.00 C ATOM 0 H TRP A 113 2.504 -1.144 -7.218 1.00 0.00 H new ATOM 0 HA TRP A 113 4.294 -2.849 -8.515 1.00 0.00 H new ATOM 0 HB2 TRP A 113 5.007 -0.755 -7.552 1.00 0.00 H new ATOM 0 HB3 TRP A 113 4.451 -1.219 -5.956 1.00 0.00 H new ATOM 0 HD1 TRP A 113 7.247 -2.131 -8.494 1.00 0.00 H new ATOM 0 HE1 TRP A 113 9.264 -3.117 -7.209 1.00 0.00 H new ATOM 0 HE3 TRP A 113 5.161 -2.289 -3.832 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 9.842 -3.847 -4.556 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 6.512 -3.148 -1.962 1.00 0.00 H new ATOM 0 HH2 TRP A 113 8.825 -3.913 -2.320 1.00 0.00 H new ATOM 1743 N ILE A 114 3.417 -3.882 -5.496 1.00 0.00 N ATOM 1744 CA ILE A 114 3.377 -5.052 -4.628 1.00 0.00 C ATOM 1745 C ILE A 114 2.444 -6.120 -5.188 1.00 0.00 C ATOM 1746 O ILE A 114 2.803 -7.295 -5.263 1.00 0.00 O ATOM 1747 CB ILE A 114 2.921 -4.683 -3.205 1.00 0.00 C ATOM 1748 CG1 ILE A 114 2.907 -5.925 -2.311 1.00 0.00 C ATOM 1749 CG2 ILE A 114 1.545 -4.034 -3.241 1.00 0.00 C ATOM 1750 CD1 ILE A 114 4.288 -6.427 -1.953 1.00 0.00 C ATOM 0 H ILE A 114 2.976 -3.050 -5.103 1.00 0.00 H new ATOM 0 HA ILE A 114 4.392 -5.446 -4.584 1.00 0.00 H new ATOM 0 HB ILE A 114 3.629 -3.967 -2.788 1.00 0.00 H new ATOM 0 HG12 ILE A 114 2.363 -5.697 -1.394 1.00 0.00 H new ATOM 0 HG13 ILE A 114 2.360 -6.721 -2.817 1.00 0.00 H new ATOM 0 HG21 ILE A 114 1.236 -3.779 -2.227 1.00 0.00 H new ATOM 0 HG22 ILE A 114 1.585 -3.129 -3.847 1.00 0.00 H new ATOM 0 HG23 ILE A 114 0.826 -4.729 -3.675 1.00 0.00 H new ATOM 0 HD11 ILE A 114 4.201 -7.309 -1.318 1.00 0.00 H new ATOM 0 HD12 ILE A 114 4.828 -6.687 -2.863 1.00 0.00 H new ATOM 0 HD13 ILE A 114 4.831 -5.647 -1.419 1.00 0.00 H new ATOM 1762 N GLN A 115 1.245 -5.703 -5.581 1.00 0.00 N ATOM 1763 CA GLN A 115 0.260 -6.625 -6.136 1.00 0.00 C ATOM 1764 C GLN A 115 0.924 -7.643 -7.056 1.00 0.00 C ATOM 1765 O GLN A 115 0.522 -8.805 -7.104 1.00 0.00 O ATOM 1766 CB GLN A 115 -0.817 -5.853 -6.901 1.00 0.00 C ATOM 1767 CG GLN A 115 -2.002 -5.447 -6.041 1.00 0.00 C ATOM 1768 CD GLN A 115 -2.967 -4.534 -6.771 1.00 0.00 C ATOM 1769 OE1 GLN A 115 -2.625 -3.941 -7.795 1.00 0.00 O ATOM 1770 NE2 GLN A 115 -4.182 -4.416 -6.248 1.00 0.00 N ATOM 0 H GLN A 115 0.932 -4.734 -5.526 1.00 0.00 H new ATOM 0 HA GLN A 115 -0.205 -7.161 -5.309 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -0.371 -4.958 -7.336 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -1.173 -6.466 -7.729 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -2.532 -6.342 -5.713 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -1.640 -4.944 -5.144 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -4.423 -4.926 -5.398 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -4.874 -3.816 -6.696 1.00 0.00 H new ATOM 1779 N GLN A 116 1.943 -7.198 -7.785 1.00 0.00 N ATOM 1780 CA GLN A 116 2.662 -8.071 -8.705 1.00 0.00 C ATOM 1781 C GLN A 116 3.962 -8.567 -8.081 1.00 0.00 C ATOM 1782 O GLN A 116 4.298 -9.746 -8.176 1.00 0.00 O ATOM 1783 CB GLN A 116 2.958 -7.336 -10.013 1.00 0.00 C ATOM 1784 CG GLN A 116 1.826 -7.414 -11.025 1.00 0.00 C ATOM 1785 CD GLN A 116 2.198 -6.811 -12.365 1.00 0.00 C ATOM 1786 OE1 GLN A 116 3.132 -7.266 -13.025 1.00 0.00 O ATOM 1787 NE2 GLN A 116 1.467 -5.781 -12.774 1.00 0.00 N ATOM 0 H GLN A 116 2.289 -6.239 -7.756 1.00 0.00 H new ATOM 0 HA GLN A 116 2.030 -8.933 -8.916 1.00 0.00 H new ATOM 0 HB2 GLN A 116 3.166 -6.289 -9.793 1.00 0.00 H new ATOM 0 HB3 GLN A 116 3.861 -7.753 -10.458 1.00 0.00 H new ATOM 0 HG2 GLN A 116 1.542 -8.457 -11.167 1.00 0.00 H new ATOM 0 HG3 GLN A 116 0.953 -6.897 -10.628 1.00 0.00 H new ATOM 0 HE21 GLN A 116 0.702 -5.437 -12.194 1.00 0.00 H new ATOM 0 HE22 GLN A 116 1.671 -5.334 -13.668 1.00 0.00 H new ATOM 1796 N ASN A 117 4.691 -7.657 -7.442 1.00 0.00 N ATOM 1797 CA ASN A 117 5.956 -8.001 -6.803 1.00 0.00 C ATOM 1798 C ASN A 117 5.727 -8.499 -5.379 1.00 0.00 C ATOM 1799 O ASN A 117 6.513 -8.209 -4.475 1.00 0.00 O ATOM 1800 CB ASN A 117 6.890 -6.790 -6.789 1.00 0.00 C ATOM 1801 CG ASN A 117 7.378 -6.420 -8.176 1.00 0.00 C ATOM 1802 OD1 ASN A 117 8.304 -7.034 -8.705 1.00 0.00 O ATOM 1803 ND2 ASN A 117 6.754 -5.410 -8.772 1.00 0.00 N ATOM 0 H ASN A 117 4.427 -6.676 -7.353 1.00 0.00 H new ATOM 0 HA ASN A 117 6.420 -8.802 -7.379 1.00 0.00 H new ATOM 0 HB2 ASN A 117 6.370 -5.938 -6.351 1.00 0.00 H new ATOM 0 HB3 ASN A 117 7.747 -7.003 -6.150 1.00 0.00 H new ATOM 0 HD21 ASN A 117 7.038 -5.115 -9.706 1.00 0.00 H new ATOM 0 HD22 ASN A 117 5.991 -4.929 -8.295 1.00 0.00 H new ATOM 1810 N LEU A 118 4.648 -9.249 -5.186 1.00 0.00 N ATOM 1811 CA LEU A 118 4.316 -9.788 -3.871 1.00 0.00 C ATOM 1812 C LEU A 118 5.045 -11.105 -3.623 1.00 0.00 C ATOM 1813 O LEU A 118 5.534 -11.357 -2.521 1.00 0.00 O ATOM 1814 CB LEU A 118 2.806 -9.997 -3.751 1.00 0.00 C ATOM 1815 CG LEU A 118 2.233 -9.956 -2.334 1.00 0.00 C ATOM 1816 CD1 LEU A 118 0.802 -9.442 -2.351 1.00 0.00 C ATOM 1817 CD2 LEU A 118 2.299 -11.334 -1.692 1.00 0.00 C ATOM 0 H LEU A 118 3.988 -9.498 -5.923 1.00 0.00 H new ATOM 0 HA LEU A 118 4.638 -9.069 -3.118 1.00 0.00 H new ATOM 0 HB2 LEU A 118 2.305 -9.233 -4.346 1.00 0.00 H new ATOM 0 HB3 LEU A 118 2.556 -10.961 -4.194 1.00 0.00 H new ATOM 0 HG LEU A 118 2.836 -9.270 -1.739 1.00 0.00 H new ATOM 0 HD11 LEU A 118 0.411 -9.420 -1.334 1.00 0.00 H new ATOM 0 HD12 LEU A 118 0.782 -8.436 -2.769 1.00 0.00 H new ATOM 0 HD13 LEU A 118 0.186 -10.101 -2.962 1.00 0.00 H new ATOM 0 HD21 LEU A 118 1.887 -11.286 -0.684 1.00 0.00 H new ATOM 0 HD22 LEU A 118 1.721 -12.041 -2.287 1.00 0.00 H new ATOM 0 HD23 LEU A 118 3.337 -11.664 -1.644 1.00 0.00 H new ATOM 1829 N ARG A 119 5.115 -11.940 -4.654 1.00 0.00 N ATOM 1830 CA ARG A 119 5.785 -13.230 -4.548 1.00 0.00 C ATOM 1831 C ARG A 119 7.299 -13.067 -4.651 1.00 0.00 C ATOM 1832 O ARG A 119 8.054 -13.705 -3.917 1.00 0.00 O ATOM 1833 CB ARG A 119 5.288 -14.178 -5.641 1.00 0.00 C ATOM 1834 CG ARG A 119 6.195 -15.378 -5.865 1.00 0.00 C ATOM 1835 CD ARG A 119 5.433 -16.546 -6.470 1.00 0.00 C ATOM 1836 NE ARG A 119 6.321 -17.487 -7.148 1.00 0.00 N ATOM 1837 CZ ARG A 119 7.011 -18.430 -6.518 1.00 0.00 C ATOM 1838 NH1 ARG A 119 6.916 -18.559 -5.202 1.00 0.00 N ATOM 1839 NH2 ARG A 119 7.799 -19.249 -7.204 1.00 0.00 N ATOM 0 H ARG A 119 4.716 -11.746 -5.572 1.00 0.00 H new ATOM 0 HA ARG A 119 5.548 -13.655 -3.573 1.00 0.00 H new ATOM 0 HB2 ARG A 119 4.291 -14.531 -5.378 1.00 0.00 H new ATOM 0 HB3 ARG A 119 5.194 -13.625 -6.575 1.00 0.00 H new ATOM 0 HG2 ARG A 119 7.016 -15.097 -6.525 1.00 0.00 H new ATOM 0 HG3 ARG A 119 6.638 -15.683 -4.917 1.00 0.00 H new ATOM 0 HD2 ARG A 119 4.885 -17.067 -5.685 1.00 0.00 H new ATOM 0 HD3 ARG A 119 4.695 -16.169 -7.178 1.00 0.00 H new ATOM 0 HE ARG A 119 6.416 -17.416 -8.161 1.00 0.00 H new ATOM 0 HH11 ARG A 119 6.311 -17.933 -4.670 1.00 0.00 H new ATOM 0 HH12 ARG A 119 7.448 -19.285 -4.721 1.00 0.00 H new ATOM 0 HH21 ARG A 119 7.875 -19.154 -8.217 1.00 0.00 H new ATOM 0 HH22 ARG A 119 8.328 -19.973 -6.718 1.00 0.00 H new ATOM 1853 N HIS A 120 7.736 -12.208 -5.567 1.00 0.00 N ATOM 1854 CA HIS A 120 9.159 -11.961 -5.765 1.00 0.00 C ATOM 1855 C HIS A 120 9.849 -11.659 -4.438 1.00 0.00 C ATOM 1856 O HIS A 120 11.002 -12.036 -4.227 1.00 0.00 O ATOM 1857 CB HIS A 120 9.366 -10.799 -6.737 1.00 0.00 C ATOM 1858 CG HIS A 120 10.745 -10.741 -7.317 1.00 0.00 C ATOM 1859 ND1 HIS A 120 11.440 -9.562 -7.492 1.00 0.00 N ATOM 1860 CD2 HIS A 120 11.561 -11.725 -7.762 1.00 0.00 C ATOM 1861 CE1 HIS A 120 12.621 -9.824 -8.020 1.00 0.00 C ATOM 1862 NE2 HIS A 120 12.720 -11.130 -8.194 1.00 0.00 N ATOM 0 H HIS A 120 7.125 -11.672 -6.183 1.00 0.00 H new ATOM 0 HA HIS A 120 9.603 -12.862 -6.188 1.00 0.00 H new ATOM 0 HB2 HIS A 120 8.643 -10.882 -7.548 1.00 0.00 H new ATOM 0 HB3 HIS A 120 9.159 -9.862 -6.220 1.00 0.00 H new ATOM 0 HD2 HIS A 120 11.341 -12.782 -7.775 1.00 0.00 H new ATOM 0 HE1 HIS A 120 13.378 -9.095 -8.268 1.00 0.00 H new ATOM 0 HE2 HIS A 120 13.526 -11.617 -8.586 1.00 0.00 H new ATOM 1871 N ILE A 121 9.136 -10.977 -3.549 1.00 0.00 N ATOM 1872 CA ILE A 121 9.679 -10.625 -2.243 1.00 0.00 C ATOM 1873 C ILE A 121 9.759 -11.846 -1.333 1.00 0.00 C ATOM 1874 O ILE A 121 10.808 -12.139 -0.758 1.00 0.00 O ATOM 1875 CB ILE A 121 8.831 -9.540 -1.554 1.00 0.00 C ATOM 1876 CG1 ILE A 121 8.881 -8.237 -2.355 1.00 0.00 C ATOM 1877 CG2 ILE A 121 9.318 -9.311 -0.131 1.00 0.00 C ATOM 1878 CD1 ILE A 121 7.866 -7.211 -1.904 1.00 0.00 C ATOM 0 H ILE A 121 8.181 -10.657 -3.709 1.00 0.00 H new ATOM 0 HA ILE A 121 10.683 -10.236 -2.414 1.00 0.00 H new ATOM 0 HB ILE A 121 7.796 -9.881 -1.513 1.00 0.00 H new ATOM 0 HG12 ILE A 121 9.880 -7.808 -2.274 1.00 0.00 H new ATOM 0 HG13 ILE A 121 8.715 -8.461 -3.409 1.00 0.00 H new ATOM 0 HG21 ILE A 121 8.709 -8.541 0.343 1.00 0.00 H new ATOM 0 HG22 ILE A 121 9.236 -10.239 0.435 1.00 0.00 H new ATOM 0 HG23 ILE A 121 10.359 -8.989 -0.150 1.00 0.00 H new ATOM 0 HD11 ILE A 121 7.959 -6.314 -2.516 1.00 0.00 H new ATOM 0 HD12 ILE A 121 6.862 -7.621 -2.012 1.00 0.00 H new ATOM 0 HD13 ILE A 121 8.044 -6.958 -0.859 1.00 0.00 H new ATOM 1890 N LEU A 122 8.643 -12.557 -1.208 1.00 0.00 N ATOM 1891 CA LEU A 122 8.586 -13.750 -0.370 1.00 0.00 C ATOM 1892 C LEU A 122 9.597 -14.792 -0.836 1.00 0.00 C ATOM 1893 O LEU A 122 10.439 -15.246 -0.061 1.00 0.00 O ATOM 1894 CB LEU A 122 7.177 -14.344 -0.390 1.00 0.00 C ATOM 1895 CG LEU A 122 6.038 -13.384 -0.043 1.00 0.00 C ATOM 1896 CD1 LEU A 122 4.742 -13.834 -0.697 1.00 0.00 C ATOM 1897 CD2 LEU A 122 5.869 -13.280 1.466 1.00 0.00 C ATOM 0 H LEU A 122 7.766 -12.328 -1.676 1.00 0.00 H new ATOM 0 HA LEU A 122 8.837 -13.460 0.650 1.00 0.00 H new ATOM 0 HB2 LEU A 122 6.991 -14.753 -1.383 1.00 0.00 H new ATOM 0 HB3 LEU A 122 7.147 -15.180 0.309 1.00 0.00 H new ATOM 0 HG LEU A 122 6.291 -12.396 -0.429 1.00 0.00 H new ATOM 0 HD11 LEU A 122 3.943 -13.139 -0.439 1.00 0.00 H new ATOM 0 HD12 LEU A 122 4.869 -13.855 -1.779 1.00 0.00 H new ATOM 0 HD13 LEU A 122 4.483 -14.832 -0.343 1.00 0.00 H new ATOM 0 HD21 LEU A 122 5.054 -12.593 1.694 1.00 0.00 H new ATOM 0 HD22 LEU A 122 5.639 -14.264 1.875 1.00 0.00 H new ATOM 0 HD23 LEU A 122 6.792 -12.909 1.911 1.00 0.00 H new ATOM 1909 N SER A 123 9.508 -15.167 -2.108 1.00 0.00 N ATOM 1910 CA SER A 123 10.414 -16.158 -2.678 1.00 0.00 C ATOM 1911 C SER A 123 11.805 -16.040 -2.062 1.00 0.00 C ATOM 1912 O SER A 123 12.401 -17.037 -1.655 1.00 0.00 O ATOM 1913 CB SER A 123 10.500 -15.988 -4.196 1.00 0.00 C ATOM 1914 OG SER A 123 9.229 -16.149 -4.800 1.00 0.00 O ATOM 0 H SER A 123 8.818 -14.800 -2.763 1.00 0.00 H new ATOM 0 HA SER A 123 10.018 -17.148 -2.452 1.00 0.00 H new ATOM 0 HB2 SER A 123 10.896 -15.000 -4.433 1.00 0.00 H new ATOM 0 HB3 SER A 123 11.197 -16.718 -4.608 1.00 0.00 H new ATOM 0 HG SER A 123 8.702 -15.333 -4.675 1.00 0.00 H new ATOM 1920 N GLN A 124 12.315 -14.815 -1.997 1.00 0.00 N ATOM 1921 CA GLN A 124 13.636 -14.566 -1.432 1.00 0.00 C ATOM 1922 C GLN A 124 13.788 -15.257 -0.080 1.00 0.00 C ATOM 1923 O GLN A 124 12.917 -15.178 0.786 1.00 0.00 O ATOM 1924 CB GLN A 124 13.874 -13.063 -1.279 1.00 0.00 C ATOM 1925 CG GLN A 124 13.769 -12.295 -2.587 1.00 0.00 C ATOM 1926 CD GLN A 124 13.938 -10.800 -2.400 1.00 0.00 C ATOM 1927 OE1 GLN A 124 13.257 -10.184 -1.580 1.00 0.00 O ATOM 1928 NE2 GLN A 124 14.849 -10.207 -3.163 1.00 0.00 N ATOM 0 H GLN A 124 11.834 -13.979 -2.329 1.00 0.00 H new ATOM 0 HA GLN A 124 14.379 -14.976 -2.116 1.00 0.00 H new ATOM 0 HB2 GLN A 124 13.150 -12.659 -0.571 1.00 0.00 H new ATOM 0 HB3 GLN A 124 14.863 -12.902 -0.851 1.00 0.00 H new ATOM 0 HG2 GLN A 124 14.528 -12.659 -3.280 1.00 0.00 H new ATOM 0 HG3 GLN A 124 12.799 -12.493 -3.044 1.00 0.00 H new ATOM 0 HE21 GLN A 124 15.391 -10.756 -3.830 1.00 0.00 H new ATOM 0 HE22 GLN A 124 15.006 -9.202 -3.082 1.00 0.00 H new ATOM 1937 N PRO A 125 14.921 -15.951 0.106 1.00 0.00 N ATOM 1938 CA PRO A 125 15.214 -16.669 1.350 1.00 0.00 C ATOM 1939 C PRO A 125 15.486 -15.723 2.515 1.00 0.00 C ATOM 1940 O PRO A 125 16.637 -15.405 2.811 1.00 0.00 O ATOM 1941 CB PRO A 125 16.471 -17.472 1.008 1.00 0.00 C ATOM 1942 CG PRO A 125 17.121 -16.707 -0.093 1.00 0.00 C ATOM 1943 CD PRO A 125 16.003 -16.087 -0.883 1.00 0.00 C ATOM 0 HA PRO A 125 14.374 -17.284 1.674 1.00 0.00 H new ATOM 0 HB2 PRO A 125 17.131 -17.561 1.871 1.00 0.00 H new ATOM 0 HB3 PRO A 125 16.220 -18.485 0.692 1.00 0.00 H new ATOM 0 HG2 PRO A 125 17.789 -15.942 0.304 1.00 0.00 H new ATOM 0 HG3 PRO A 125 17.725 -17.363 -0.720 1.00 0.00 H new ATOM 0 HD2 PRO A 125 16.292 -15.121 -1.298 1.00 0.00 H new ATOM 0 HD3 PRO A 125 15.705 -16.718 -1.721 1.00 0.00 H new ATOM 1951 N GLU A 126 14.419 -15.278 3.171 1.00 0.00 N ATOM 1952 CA GLU A 126 14.545 -14.368 4.304 1.00 0.00 C ATOM 1953 C GLU A 126 14.097 -15.043 5.597 1.00 0.00 C ATOM 1954 O GLU A 126 12.942 -15.449 5.731 1.00 0.00 O ATOM 1955 CB GLU A 126 13.719 -13.102 4.064 1.00 0.00 C ATOM 1956 CG GLU A 126 14.262 -12.224 2.949 1.00 0.00 C ATOM 1957 CD GLU A 126 13.237 -11.229 2.438 1.00 0.00 C ATOM 1958 OE1 GLU A 126 12.210 -11.670 1.882 1.00 0.00 O ATOM 1959 OE2 GLU A 126 13.463 -10.011 2.595 1.00 0.00 O ATOM 0 H GLU A 126 13.459 -15.532 2.938 1.00 0.00 H new ATOM 0 HA GLU A 126 15.596 -14.095 4.402 1.00 0.00 H new ATOM 0 HB2 GLU A 126 12.694 -13.387 3.825 1.00 0.00 H new ATOM 0 HB3 GLU A 126 13.682 -12.522 4.986 1.00 0.00 H new ATOM 0 HG2 GLU A 126 15.138 -11.685 3.310 1.00 0.00 H new ATOM 0 HG3 GLU A 126 14.594 -12.854 2.124 1.00 0.00 H new ATOM 1966 N THR A 127 15.019 -15.160 6.547 1.00 0.00 N ATOM 1967 CA THR A 127 14.721 -15.787 7.829 1.00 0.00 C ATOM 1968 C THR A 127 15.219 -14.932 8.988 1.00 0.00 C ATOM 1969 O THR A 127 16.410 -14.920 9.297 1.00 0.00 O ATOM 1970 CB THR A 127 15.354 -17.187 7.929 1.00 0.00 C ATOM 1971 OG1 THR A 127 16.773 -17.097 7.763 1.00 0.00 O ATOM 1972 CG2 THR A 127 14.773 -18.121 6.878 1.00 0.00 C ATOM 0 H THR A 127 15.979 -14.829 6.453 1.00 0.00 H new ATOM 0 HA THR A 127 13.637 -15.881 7.891 1.00 0.00 H new ATOM 0 HB THR A 127 15.130 -17.592 8.916 1.00 0.00 H new ATOM 0 HG1 THR A 127 17.107 -16.301 8.227 1.00 0.00 H new ATOM 0 HG21 THR A 127 15.236 -19.104 6.969 1.00 0.00 H new ATOM 0 HG22 THR A 127 13.697 -18.212 7.027 1.00 0.00 H new ATOM 0 HG23 THR A 127 14.969 -17.718 5.885 1.00 0.00 H new ATOM 1980 N GLY A 128 14.299 -14.217 9.628 1.00 0.00 N ATOM 1981 CA GLY A 128 14.665 -13.369 10.748 1.00 0.00 C ATOM 1982 C GLY A 128 14.821 -14.148 12.039 1.00 0.00 C ATOM 1983 O GLY A 128 14.214 -13.808 13.054 1.00 0.00 O ATOM 0 H GLY A 128 13.307 -14.210 9.391 1.00 0.00 H new ATOM 0 HA2 GLY A 128 15.600 -12.857 10.521 1.00 0.00 H new ATOM 0 HA3 GLY A 128 13.904 -12.600 10.881 1.00 0.00 H new TER 1987 GLY A 128