USER MOD reduce.3.24.130724 H: found=0, std=0, add=1071, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1072 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 51 THR OG1 : rot -9:sc= -1.17 USER MOD Set 1.2: A 97 MET CE :methyl 149:sc= -3.87! (180deg=-4.51!) USER MOD Set 2.1: A 55 SER OG : rot 20:sc= -0.742 USER MOD Set 2.2: A 57 LYS NZ :NH3+ -164:sc= -3.27! (180deg=-3.95!) USER MOD Set 3.1: A 2 SER OG : rot 180:sc= -0.0479 USER MOD Set 3.2: A 3 HIS : no HD1:sc= -0.168 X(o=-0.22,f=-0.048) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.484 X(o=-0.48,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.0242 USER MOD Single : A 31 SER OG : rot -9:sc= -0.0749 USER MOD Single : A 32 THR OG1 : rot 117:sc= -0.0904 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -3.13! K(o=-3.1!,f=-2) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -136:sc= -2.77 USER MOD Single : A 44 THR OG1 : rot -25:sc= 0.0313 USER MOD Single : A 47 LYS NZ :NH3+ -155:sc= 0.0409 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -3.52 K(o=-3.5,f=-3!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl -111:sc= -2.35! (180deg=-6.46!) USER MOD Single : A 59 MET CE :methyl -126:sc= -1.22 (180deg=-6.5!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0.0185 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 152:sc= -0.166 (180deg=-0.567) USER MOD Single : A 75 ASN : amide:sc= -0.351 X(o=-0.35,f=-0.15) USER MOD Single : A 78 ASN : amide:sc= -2.19 X(o=-2.2,f=-2.6) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.0392 X(o=-0.039,f=0) USER MOD Single : A 87 HIS : no HD1:sc= -8.72! C(o=-8.7!,f=-7.8!) USER MOD Single : A 88 MET CE :methyl -147:sc= -4.54 (180deg=-7.97!) USER MOD Single : A 90 SER OG : rot 180:sc= -0.402 USER MOD Single : A 92 ASN : amide:sc= -0.0913 X(o=-0.091,f=0) USER MOD Single : A 93 ASN : amide:sc= -0.665 K(o=-0.67,f=-3.5!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.128 USER MOD Single : A 99 ASN : amide:sc= -0.996 K(o=-1,f=-0.27) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 MET CE :methyl 180:sc= -1.79! (180deg=-1.79!) USER MOD Single : A 103 THR OG1 : rot -144:sc= -0.44 USER MOD Single : A 105 GLN : amide:sc= -11.9! C(o=-12!,f=-12!) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 SER OG : rot 140:sc= -1.04 USER MOD Single : A 111 TYR OH : rot 112:sc= -3.86! USER MOD Single : A 112 LYS NZ :NH3+ -160:sc= -0.547 (180deg=-1.59) USER MOD Single : B 666 SER OG : rot 180:sc= 0 USER MOD Single : B 675 THR OG1 : rot 180:sc= 0 USER MOD Single : B 676 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0427) USER MOD Single : B 677 SER OG : rot -64:sc= -0.223 USER MOD Single : B 678 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 680 SER OG : rot 180:sc= -0.0866 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -5.998 -17.340 -6.987 1.00 0.00 N ATOM 2 CA PRO A 1 -6.361 -15.900 -6.895 1.00 0.00 C ATOM 3 C PRO A 1 -5.471 -15.152 -5.902 1.00 0.00 C ATOM 4 O PRO A 1 -5.947 -14.315 -5.135 1.00 0.00 O ATOM 5 CB PRO A 1 -7.825 -15.822 -6.469 1.00 0.00 C ATOM 6 CG PRO A 1 -8.206 -17.238 -6.191 1.00 0.00 C ATOM 7 CD PRO A 1 -7.259 -18.100 -6.988 1.00 0.00 C ATOM 0 H2 PRO A 1 -5.411 -17.616 -6.200 1.00 0.00 H new ATOM 0 H3 PRO A 1 -5.464 -17.525 -7.836 1.00 0.00 H new ATOM 0 HA PRO A 1 -6.213 -15.422 -7.863 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -7.949 -15.196 -5.585 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -8.445 -15.390 -7.255 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -8.129 -17.459 -5.126 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -9.240 -17.426 -6.481 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -7.133 -19.082 -6.532 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -7.625 -18.264 -8.001 1.00 0.00 H new ATOM 17 N SER A 2 -4.178 -15.459 -5.926 1.00 0.00 N ATOM 18 CA SER A 2 -3.224 -14.817 -5.031 1.00 0.00 C ATOM 19 C SER A 2 -2.796 -13.458 -5.576 1.00 0.00 C ATOM 20 O SER A 2 -2.609 -12.506 -4.820 1.00 0.00 O ATOM 21 CB SER A 2 -1.998 -15.710 -4.833 1.00 0.00 C ATOM 22 OG SER A 2 -1.089 -15.575 -5.912 1.00 0.00 O ATOM 0 H SER A 2 -3.768 -16.148 -6.556 1.00 0.00 H new ATOM 0 HA SER A 2 -3.712 -14.664 -4.069 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.500 -15.448 -3.899 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.312 -16.750 -4.746 1.00 0.00 H new ATOM 0 HG SER A 2 -0.313 -16.155 -5.761 1.00 0.00 H new ATOM 28 N HIS A 3 -2.648 -13.374 -6.894 1.00 0.00 N ATOM 29 CA HIS A 3 -2.244 -12.132 -7.545 1.00 0.00 C ATOM 30 C HIS A 3 -3.447 -11.231 -7.826 1.00 0.00 C ATOM 31 O HIS A 3 -3.404 -10.394 -8.727 1.00 0.00 O ATOM 32 CB HIS A 3 -1.512 -12.439 -8.853 1.00 0.00 C ATOM 33 CG HIS A 3 -0.452 -13.486 -8.713 1.00 0.00 C ATOM 34 ND1 HIS A 3 -0.415 -14.628 -9.484 1.00 0.00 N ATOM 35 CD2 HIS A 3 0.617 -13.560 -7.883 1.00 0.00 C ATOM 36 CE1 HIS A 3 0.628 -15.360 -9.134 1.00 0.00 C ATOM 37 NE2 HIS A 3 1.271 -14.734 -8.166 1.00 0.00 N ATOM 0 H HIS A 3 -2.802 -14.153 -7.534 1.00 0.00 H new ATOM 0 HA HIS A 3 -1.574 -11.603 -6.867 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -2.238 -12.765 -9.598 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -1.058 -11.522 -9.230 1.00 0.00 H new ATOM 0 HD2 HIS A 3 0.901 -12.832 -7.138 1.00 0.00 H new ATOM 0 HE1 HIS A 3 0.907 -16.309 -9.567 1.00 0.00 H new ATOM 0 HE2 HIS A 3 2.116 -15.068 -7.703 1.00 0.00 H new ATOM 46 N SER A 4 -4.517 -11.394 -7.048 1.00 0.00 N ATOM 47 CA SER A 4 -5.714 -10.578 -7.223 1.00 0.00 C ATOM 48 C SER A 4 -6.533 -10.518 -5.939 1.00 0.00 C ATOM 49 O SER A 4 -6.511 -11.440 -5.125 1.00 0.00 O ATOM 50 CB SER A 4 -6.575 -11.102 -8.374 1.00 0.00 C ATOM 51 OG SER A 4 -6.708 -12.511 -8.315 1.00 0.00 O ATOM 0 H SER A 4 -4.578 -12.080 -6.295 1.00 0.00 H new ATOM 0 HA SER A 4 -5.386 -9.568 -7.469 1.00 0.00 H new ATOM 0 HB2 SER A 4 -7.561 -10.639 -8.334 1.00 0.00 H new ATOM 0 HB3 SER A 4 -6.127 -10.816 -9.326 1.00 0.00 H new ATOM 0 HG SER A 4 -7.264 -12.819 -9.061 1.00 0.00 H new ATOM 57 N GLY A 5 -7.247 -9.412 -5.771 1.00 0.00 N ATOM 58 CA GLY A 5 -8.067 -9.211 -4.594 1.00 0.00 C ATOM 59 C GLY A 5 -8.679 -7.830 -4.595 1.00 0.00 C ATOM 60 O GLY A 5 -8.029 -6.868 -4.990 1.00 0.00 O ATOM 0 H GLY A 5 -7.271 -8.642 -6.439 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -8.856 -9.963 -4.562 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.462 -9.345 -3.697 1.00 0.00 H new ATOM 64 N ALA A 6 -9.933 -7.728 -4.183 1.00 0.00 N ATOM 65 CA ALA A 6 -10.620 -6.445 -4.180 1.00 0.00 C ATOM 66 C ALA A 6 -10.307 -5.617 -2.935 1.00 0.00 C ATOM 67 O ALA A 6 -10.289 -6.130 -1.817 1.00 0.00 O ATOM 68 CB ALA A 6 -12.111 -6.662 -4.337 1.00 0.00 C ATOM 0 H ALA A 6 -10.493 -8.512 -3.848 1.00 0.00 H new ATOM 0 HA ALA A 6 -10.252 -5.868 -5.028 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -12.621 -5.699 -4.334 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -12.307 -7.174 -5.279 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -12.479 -7.270 -3.511 1.00 0.00 H new ATOM 74 N ALA A 7 -10.058 -4.325 -3.154 1.00 0.00 N ATOM 75 CA ALA A 7 -9.736 -3.397 -2.071 1.00 0.00 C ATOM 76 C ALA A 7 -10.320 -2.011 -2.345 1.00 0.00 C ATOM 77 O ALA A 7 -10.832 -1.750 -3.432 1.00 0.00 O ATOM 78 CB ALA A 7 -8.229 -3.310 -1.886 1.00 0.00 C ATOM 0 H ALA A 7 -10.074 -3.896 -4.079 1.00 0.00 H new ATOM 0 HA ALA A 7 -10.183 -3.776 -1.152 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -8.001 -2.616 -1.077 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -7.835 -4.296 -1.640 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.769 -2.955 -2.808 1.00 0.00 H new ATOM 84 N ILE A 8 -10.250 -1.126 -1.350 1.00 0.00 N ATOM 85 CA ILE A 8 -10.782 0.231 -1.492 1.00 0.00 C ATOM 86 C ILE A 8 -9.670 1.251 -1.722 1.00 0.00 C ATOM 87 O ILE A 8 -8.720 1.330 -0.945 1.00 0.00 O ATOM 88 CB ILE A 8 -11.577 0.675 -0.239 1.00 0.00 C ATOM 89 CG1 ILE A 8 -12.741 -0.282 0.089 1.00 0.00 C ATOM 90 CG2 ILE A 8 -12.099 2.097 -0.418 1.00 0.00 C ATOM 91 CD1 ILE A 8 -12.986 -1.370 -0.936 1.00 0.00 C ATOM 0 H ILE A 8 -9.832 -1.323 -0.440 1.00 0.00 H new ATOM 0 HA ILE A 8 -11.445 0.199 -2.357 1.00 0.00 H new ATOM 0 HB ILE A 8 -10.887 0.645 0.604 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -12.545 -0.750 1.054 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -13.653 0.304 0.199 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -12.656 2.395 0.471 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -11.260 2.777 -0.565 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -12.755 2.137 -1.287 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -13.823 -1.990 -0.616 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -13.218 -0.916 -1.900 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -12.093 -1.988 -1.032 1.00 0.00 H new ATOM 103 N PHE A 9 -9.811 2.053 -2.772 1.00 0.00 N ATOM 104 CA PHE A 9 -8.830 3.089 -3.071 1.00 0.00 C ATOM 105 C PHE A 9 -9.498 4.450 -3.249 1.00 0.00 C ATOM 106 O PHE A 9 -10.194 4.690 -4.235 1.00 0.00 O ATOM 107 CB PHE A 9 -8.026 2.748 -4.324 1.00 0.00 C ATOM 108 CG PHE A 9 -6.850 3.662 -4.537 1.00 0.00 C ATOM 109 CD1 PHE A 9 -7.042 4.999 -4.850 1.00 0.00 C ATOM 110 CD2 PHE A 9 -5.556 3.187 -4.418 1.00 0.00 C ATOM 111 CE1 PHE A 9 -5.964 5.842 -5.042 1.00 0.00 C ATOM 112 CE2 PHE A 9 -4.473 4.025 -4.610 1.00 0.00 C ATOM 113 CZ PHE A 9 -4.678 5.355 -4.922 1.00 0.00 C ATOM 0 H PHE A 9 -10.591 2.006 -3.427 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.151 3.138 -2.220 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.671 1.720 -4.252 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -8.681 2.799 -5.194 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -8.046 5.386 -4.945 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.390 2.149 -4.172 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -6.128 6.881 -5.286 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -3.468 3.640 -4.516 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.834 6.012 -5.072 1.00 0.00 H new ATOM 123 N GLU A 10 -9.262 5.337 -2.288 1.00 0.00 N ATOM 124 CA GLU A 10 -9.811 6.693 -2.317 1.00 0.00 C ATOM 125 C GLU A 10 -11.327 6.699 -2.150 1.00 0.00 C ATOM 126 O GLU A 10 -12.041 7.367 -2.897 1.00 0.00 O ATOM 127 CB GLU A 10 -9.425 7.401 -3.620 1.00 0.00 C ATOM 128 CG GLU A 10 -8.045 8.038 -3.580 1.00 0.00 C ATOM 129 CD GLU A 10 -7.728 8.822 -4.838 1.00 0.00 C ATOM 130 OE1 GLU A 10 -8.345 8.538 -5.886 1.00 0.00 O ATOM 131 OE2 GLU A 10 -6.864 9.721 -4.775 1.00 0.00 O ATOM 0 H GLU A 10 -8.687 5.140 -1.469 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.381 7.232 -1.473 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.461 6.682 -4.439 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.165 8.171 -3.839 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.980 8.701 -2.717 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.294 7.260 -3.442 1.00 0.00 H new ATOM 138 N LYS A 11 -11.811 5.959 -1.157 1.00 0.00 N ATOM 139 CA LYS A 11 -13.245 5.886 -0.876 1.00 0.00 C ATOM 140 C LYS A 11 -13.999 5.074 -1.931 1.00 0.00 C ATOM 141 O LYS A 11 -15.196 4.828 -1.785 1.00 0.00 O ATOM 142 CB LYS A 11 -13.843 7.292 -0.779 1.00 0.00 C ATOM 143 CG LYS A 11 -13.004 8.255 0.044 1.00 0.00 C ATOM 144 CD LYS A 11 -13.344 9.703 -0.277 1.00 0.00 C ATOM 145 CE LYS A 11 -14.740 10.066 0.201 1.00 0.00 C ATOM 146 NZ LYS A 11 -14.765 10.380 1.656 1.00 0.00 N ATOM 0 H LYS A 11 -11.232 5.400 -0.531 1.00 0.00 H new ATOM 0 HA LYS A 11 -13.358 5.375 0.080 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -13.964 7.696 -1.784 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -14.839 7.225 -0.341 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -13.169 8.068 1.105 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.947 8.076 -0.151 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -12.614 10.362 0.193 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -13.273 9.865 -1.353 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -15.104 10.925 -0.362 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -15.420 9.239 -0.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -15.735 10.622 1.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -14.442 9.552 2.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -14.136 11.185 1.848 1.00 0.00 H new ATOM 160 N VAL A 12 -13.306 4.652 -2.986 1.00 0.00 N ATOM 161 CA VAL A 12 -13.935 3.870 -4.034 1.00 0.00 C ATOM 162 C VAL A 12 -13.631 2.399 -3.850 1.00 0.00 C ATOM 163 O VAL A 12 -12.565 2.028 -3.359 1.00 0.00 O ATOM 164 CB VAL A 12 -13.484 4.322 -5.437 1.00 0.00 C ATOM 165 CG1 VAL A 12 -13.765 3.253 -6.489 1.00 0.00 C ATOM 166 CG2 VAL A 12 -14.182 5.613 -5.795 1.00 0.00 C ATOM 0 H VAL A 12 -12.314 4.840 -3.133 1.00 0.00 H new ATOM 0 HA VAL A 12 -15.010 4.032 -3.957 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.406 4.482 -5.418 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -13.434 3.607 -7.465 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -13.227 2.340 -6.233 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -14.835 3.047 -6.522 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -13.865 5.935 -6.787 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -15.261 5.456 -5.792 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -13.925 6.380 -5.065 1.00 0.00 H new ATOM 176 N SER A 13 -14.571 1.567 -4.249 1.00 0.00 N ATOM 177 CA SER A 13 -14.398 0.132 -4.126 1.00 0.00 C ATOM 178 C SER A 13 -14.234 -0.516 -5.490 1.00 0.00 C ATOM 179 O SER A 13 -15.162 -0.543 -6.297 1.00 0.00 O ATOM 180 CB SER A 13 -15.576 -0.496 -3.387 1.00 0.00 C ATOM 181 OG SER A 13 -16.109 0.395 -2.422 1.00 0.00 O ATOM 0 H SER A 13 -15.459 1.856 -4.659 1.00 0.00 H new ATOM 0 HA SER A 13 -13.490 -0.043 -3.548 1.00 0.00 H new ATOM 0 HB2 SER A 13 -16.353 -0.770 -4.101 1.00 0.00 H new ATOM 0 HB3 SER A 13 -15.254 -1.415 -2.898 1.00 0.00 H new ATOM 0 HG SER A 13 -16.863 -0.031 -1.964 1.00 0.00 H new ATOM 187 N GLY A 14 -13.044 -1.043 -5.734 1.00 0.00 N ATOM 188 CA GLY A 14 -12.764 -1.694 -6.994 1.00 0.00 C ATOM 189 C GLY A 14 -12.109 -3.041 -6.799 1.00 0.00 C ATOM 190 O GLY A 14 -12.539 -3.832 -5.961 1.00 0.00 O ATOM 0 H GLY A 14 -12.264 -1.031 -5.077 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -13.692 -1.819 -7.552 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -12.114 -1.058 -7.595 1.00 0.00 H new ATOM 194 N ILE A 15 -11.061 -3.298 -7.567 1.00 0.00 N ATOM 195 CA ILE A 15 -10.339 -4.552 -7.471 1.00 0.00 C ATOM 196 C ILE A 15 -8.842 -4.330 -7.486 1.00 0.00 C ATOM 197 O ILE A 15 -8.328 -3.595 -8.324 1.00 0.00 O ATOM 198 CB ILE A 15 -10.671 -5.508 -8.633 1.00 0.00 C ATOM 199 CG1 ILE A 15 -12.181 -5.551 -8.892 1.00 0.00 C ATOM 200 CG2 ILE A 15 -10.122 -6.904 -8.344 1.00 0.00 C ATOM 201 CD1 ILE A 15 -13.004 -5.914 -7.677 1.00 0.00 C ATOM 0 H ILE A 15 -10.693 -2.651 -8.265 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.653 -4.997 -6.527 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.192 -5.133 -9.537 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -12.504 -4.577 -9.259 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -12.383 -6.273 -9.684 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -10.364 -7.569 -9.173 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.040 -6.852 -8.224 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -10.570 -7.289 -7.428 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -14.061 -5.923 -7.943 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -12.711 -6.902 -7.321 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -12.834 -5.179 -6.890 1.00 0.00 H new ATOM 213 N ILE A 16 -8.142 -5.020 -6.606 1.00 0.00 N ATOM 214 CA ILE A 16 -6.698 -4.947 -6.573 1.00 0.00 C ATOM 215 C ILE A 16 -6.195 -6.184 -7.278 1.00 0.00 C ATOM 216 O ILE A 16 -6.778 -7.259 -7.134 1.00 0.00 O ATOM 217 CB ILE A 16 -6.122 -4.891 -5.131 1.00 0.00 C ATOM 218 CG1 ILE A 16 -5.650 -3.477 -4.793 1.00 0.00 C ATOM 219 CG2 ILE A 16 -4.968 -5.874 -4.962 1.00 0.00 C ATOM 220 CD1 ILE A 16 -4.993 -3.372 -3.432 1.00 0.00 C ATOM 0 H ILE A 16 -8.552 -5.637 -5.905 1.00 0.00 H new ATOM 0 HA ILE A 16 -6.373 -4.026 -7.057 1.00 0.00 H new ATOM 0 HB ILE A 16 -6.921 -5.172 -4.445 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.945 -3.145 -5.555 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -6.502 -2.799 -4.830 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.584 -5.813 -3.944 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -5.321 -6.887 -5.157 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -4.173 -5.626 -5.665 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.682 -2.342 -3.257 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -5.702 -3.673 -2.661 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.121 -4.025 -3.398 1.00 0.00 H new ATOM 232 N ALA A 17 -5.149 -6.048 -8.060 1.00 0.00 N ATOM 233 CA ALA A 17 -4.648 -7.192 -8.787 1.00 0.00 C ATOM 234 C ALA A 17 -3.158 -7.089 -9.047 1.00 0.00 C ATOM 235 O ALA A 17 -2.679 -6.156 -9.691 1.00 0.00 O ATOM 236 CB ALA A 17 -5.451 -7.374 -10.065 1.00 0.00 C ATOM 0 H ALA A 17 -4.638 -5.178 -8.208 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.778 -8.084 -8.174 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.072 -8.237 -10.613 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.500 -7.534 -9.816 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.357 -6.482 -10.684 1.00 0.00 H new ATOM 242 N ILE A 18 -2.437 -8.060 -8.509 1.00 0.00 N ATOM 243 CA ILE A 18 -0.992 -8.117 -8.628 1.00 0.00 C ATOM 244 C ILE A 18 -0.549 -8.731 -9.948 1.00 0.00 C ATOM 245 O ILE A 18 -1.157 -9.680 -10.444 1.00 0.00 O ATOM 246 CB ILE A 18 -0.383 -8.935 -7.478 1.00 0.00 C ATOM 247 CG1 ILE A 18 -0.980 -8.495 -6.139 1.00 0.00 C ATOM 248 CG2 ILE A 18 1.133 -8.800 -7.473 1.00 0.00 C ATOM 249 CD1 ILE A 18 -0.257 -9.058 -4.939 1.00 0.00 C ATOM 0 H ILE A 18 -2.840 -8.831 -7.977 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.638 -7.087 -8.585 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.626 -9.987 -7.628 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -0.964 -7.406 -6.084 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.025 -8.801 -6.099 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.548 -9.385 -6.652 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.534 -9.165 -8.418 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.405 -7.752 -7.345 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -0.736 -8.703 -4.026 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.295 -10.147 -4.969 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.783 -8.731 -4.954 1.00 0.00 H new ATOM 261 N ASN A 19 0.530 -8.189 -10.495 1.00 0.00 N ATOM 262 CA ASN A 19 1.088 -8.682 -11.742 1.00 0.00 C ATOM 263 C ASN A 19 2.496 -9.212 -11.504 1.00 0.00 C ATOM 264 O ASN A 19 3.466 -8.460 -11.546 1.00 0.00 O ATOM 265 CB ASN A 19 1.113 -7.571 -12.794 1.00 0.00 C ATOM 266 CG ASN A 19 0.809 -8.085 -14.187 1.00 0.00 C ATOM 267 OD1 ASN A 19 -0.253 -7.812 -14.744 1.00 0.00 O ATOM 268 ND2 ASN A 19 1.745 -8.835 -14.757 1.00 0.00 N ATOM 0 H ASN A 19 1.038 -7.403 -10.090 1.00 0.00 H new ATOM 0 HA ASN A 19 0.460 -9.492 -12.112 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.386 -6.805 -12.526 1.00 0.00 H new ATOM 0 HB3 ASN A 19 2.093 -7.095 -12.792 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.598 -9.210 -15.694 1.00 0.00 H new ATOM 0 HD22 ASN A 19 2.611 -9.036 -14.258 1.00 0.00 H new ATOM 275 N GLU A 20 2.598 -10.507 -11.241 1.00 0.00 N ATOM 276 CA GLU A 20 3.889 -11.137 -10.987 1.00 0.00 C ATOM 277 C GLU A 20 4.619 -11.456 -12.292 1.00 0.00 C ATOM 278 O GLU A 20 5.734 -11.974 -12.276 1.00 0.00 O ATOM 279 CB GLU A 20 3.702 -12.415 -10.166 1.00 0.00 C ATOM 280 CG GLU A 20 4.646 -12.520 -8.980 1.00 0.00 C ATOM 281 CD GLU A 20 5.923 -13.265 -9.315 1.00 0.00 C ATOM 282 OE1 GLU A 20 6.721 -12.744 -10.122 1.00 0.00 O ATOM 283 OE2 GLU A 20 6.125 -14.372 -8.772 1.00 0.00 O ATOM 0 H GLU A 20 1.802 -11.144 -11.198 1.00 0.00 H new ATOM 0 HA GLU A 20 4.499 -10.433 -10.421 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.674 -12.459 -9.806 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.850 -13.278 -10.815 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.895 -11.519 -8.629 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.138 -13.028 -8.160 1.00 0.00 H new ATOM 290 N ASP A 21 3.986 -11.141 -13.420 1.00 0.00 N ATOM 291 CA ASP A 21 4.583 -11.394 -14.725 1.00 0.00 C ATOM 292 C ASP A 21 5.551 -10.277 -15.114 1.00 0.00 C ATOM 293 O ASP A 21 6.148 -10.312 -16.190 1.00 0.00 O ATOM 294 CB ASP A 21 3.493 -11.524 -15.787 1.00 0.00 C ATOM 295 CG ASP A 21 3.965 -12.282 -17.013 1.00 0.00 C ATOM 296 OD1 ASP A 21 4.541 -11.645 -17.919 1.00 0.00 O ATOM 297 OD2 ASP A 21 3.761 -13.513 -17.065 1.00 0.00 O ATOM 0 H ASP A 21 3.062 -10.711 -13.455 1.00 0.00 H new ATOM 0 HA ASP A 21 5.142 -12.328 -14.663 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.631 -12.034 -15.358 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.159 -10.530 -16.084 1.00 0.00 H new ATOM 302 N VAL A 22 5.706 -9.289 -14.235 1.00 0.00 N ATOM 303 CA VAL A 22 6.606 -8.170 -14.500 1.00 0.00 C ATOM 304 C VAL A 22 7.896 -8.314 -13.698 1.00 0.00 C ATOM 305 O VAL A 22 8.206 -9.390 -13.187 1.00 0.00 O ATOM 306 CB VAL A 22 5.961 -6.798 -14.192 1.00 0.00 C ATOM 307 CG1 VAL A 22 5.758 -5.999 -15.470 1.00 0.00 C ATOM 308 CG2 VAL A 22 4.656 -6.977 -13.465 1.00 0.00 C ATOM 0 H VAL A 22 5.223 -9.241 -13.338 1.00 0.00 H new ATOM 0 HA VAL A 22 6.827 -8.201 -15.567 1.00 0.00 H new ATOM 0 HB VAL A 22 6.639 -6.240 -13.546 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.303 -5.038 -15.230 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.721 -5.834 -15.953 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.104 -6.551 -16.144 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.218 -6.001 -13.257 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.972 -7.558 -14.084 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.831 -7.503 -12.526 1.00 0.00 H new ATOM 318 N SER A 23 8.640 -7.221 -13.585 1.00 0.00 N ATOM 319 CA SER A 23 9.890 -7.216 -12.842 1.00 0.00 C ATOM 320 C SER A 23 10.463 -5.802 -12.780 1.00 0.00 C ATOM 321 O SER A 23 11.037 -5.317 -13.756 1.00 0.00 O ATOM 322 CB SER A 23 10.897 -8.170 -13.487 1.00 0.00 C ATOM 323 OG SER A 23 12.231 -7.772 -13.221 1.00 0.00 O ATOM 0 H SER A 23 8.396 -6.323 -14.002 1.00 0.00 H new ATOM 0 HA SER A 23 9.692 -7.557 -11.826 1.00 0.00 H new ATOM 0 HB2 SER A 23 10.735 -9.180 -13.111 1.00 0.00 H new ATOM 0 HB3 SER A 23 10.733 -8.201 -14.564 1.00 0.00 H new ATOM 0 HG SER A 23 12.851 -8.402 -13.645 1.00 0.00 H new ATOM 329 N PRO A 24 10.310 -5.111 -11.636 1.00 0.00 N ATOM 330 CA PRO A 24 9.632 -5.649 -10.448 1.00 0.00 C ATOM 331 C PRO A 24 8.125 -5.790 -10.644 1.00 0.00 C ATOM 332 O PRO A 24 7.546 -5.187 -11.547 1.00 0.00 O ATOM 333 CB PRO A 24 9.923 -4.616 -9.351 1.00 0.00 C ATOM 334 CG PRO A 24 10.941 -3.681 -9.920 1.00 0.00 C ATOM 335 CD PRO A 24 10.795 -3.747 -11.411 1.00 0.00 C ATOM 0 HA PRO A 24 9.988 -6.652 -10.213 1.00 0.00 H new ATOM 0 HB2 PRO A 24 9.016 -4.080 -9.070 1.00 0.00 H new ATOM 0 HB3 PRO A 24 10.299 -5.100 -8.450 1.00 0.00 H new ATOM 0 HG2 PRO A 24 10.779 -2.665 -9.559 1.00 0.00 H new ATOM 0 HG3 PRO A 24 11.947 -3.971 -9.616 1.00 0.00 H new ATOM 0 HD2 PRO A 24 10.090 -3.002 -11.781 1.00 0.00 H new ATOM 0 HD3 PRO A 24 11.743 -3.567 -11.917 1.00 0.00 H new ATOM 343 N ALA A 25 7.497 -6.588 -9.784 1.00 0.00 N ATOM 344 CA ALA A 25 6.054 -6.809 -9.850 1.00 0.00 C ATOM 345 C ALA A 25 5.291 -5.496 -9.822 1.00 0.00 C ATOM 346 O ALA A 25 5.883 -4.424 -9.706 1.00 0.00 O ATOM 347 CB ALA A 25 5.588 -7.677 -8.694 1.00 0.00 C ATOM 0 H ALA A 25 7.965 -7.093 -9.032 1.00 0.00 H new ATOM 0 HA ALA A 25 5.850 -7.317 -10.793 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.511 -7.828 -8.764 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.093 -8.642 -8.737 1.00 0.00 H new ATOM 0 HB3 ALA A 25 5.825 -7.185 -7.751 1.00 0.00 H new ATOM 353 N GLU A 26 3.970 -5.596 -9.910 1.00 0.00 N ATOM 354 CA GLU A 26 3.116 -4.419 -9.878 1.00 0.00 C ATOM 355 C GLU A 26 1.672 -4.800 -9.579 1.00 0.00 C ATOM 356 O GLU A 26 1.138 -5.743 -10.160 1.00 0.00 O ATOM 357 CB GLU A 26 3.180 -3.673 -11.215 1.00 0.00 C ATOM 358 CG GLU A 26 4.506 -2.976 -11.473 1.00 0.00 C ATOM 359 CD GLU A 26 4.377 -1.815 -12.440 1.00 0.00 C ATOM 360 OE1 GLU A 26 3.850 -0.759 -12.032 1.00 0.00 O ATOM 361 OE2 GLU A 26 4.802 -1.963 -13.605 1.00 0.00 O ATOM 0 H GLU A 26 3.469 -6.480 -10.004 1.00 0.00 H new ATOM 0 HA GLU A 26 3.479 -3.767 -9.083 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.990 -4.380 -12.023 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.381 -2.933 -11.245 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.911 -2.614 -10.528 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.220 -3.697 -11.871 1.00 0.00 H new ATOM 368 N LEU A 27 1.035 -4.047 -8.689 1.00 0.00 N ATOM 369 CA LEU A 27 -0.357 -4.299 -8.341 1.00 0.00 C ATOM 370 C LEU A 27 -1.231 -3.203 -8.943 1.00 0.00 C ATOM 371 O LEU A 27 -0.843 -2.036 -8.962 1.00 0.00 O ATOM 372 CB LEU A 27 -0.536 -4.398 -6.812 1.00 0.00 C ATOM 373 CG LEU A 27 -0.829 -3.090 -6.065 1.00 0.00 C ATOM 374 CD1 LEU A 27 -2.170 -2.493 -6.463 1.00 0.00 C ATOM 375 CD2 LEU A 27 -0.798 -3.335 -4.573 1.00 0.00 C ATOM 0 H LEU A 27 1.459 -3.260 -8.197 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.666 -5.258 -8.756 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.349 -5.095 -6.609 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.370 -4.834 -6.391 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.056 -2.373 -6.340 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.335 -1.569 -5.910 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.171 -2.281 -7.532 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.966 -3.201 -6.233 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.007 -2.403 -4.047 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.552 -4.077 -4.310 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.187 -3.702 -4.285 1.00 0.00 H new ATOM 387 N THR A 28 -2.390 -3.580 -9.467 1.00 0.00 N ATOM 388 CA THR A 28 -3.283 -2.614 -10.102 1.00 0.00 C ATOM 389 C THR A 28 -4.683 -2.629 -9.501 1.00 0.00 C ATOM 390 O THR A 28 -5.428 -3.597 -9.661 1.00 0.00 O ATOM 391 CB THR A 28 -3.369 -2.906 -11.599 1.00 0.00 C ATOM 392 OG1 THR A 28 -2.128 -3.381 -12.090 1.00 0.00 O ATOM 393 CG2 THR A 28 -3.757 -1.699 -12.425 1.00 0.00 C ATOM 0 H THR A 28 -2.734 -4.540 -9.466 1.00 0.00 H new ATOM 0 HA THR A 28 -2.865 -1.623 -9.929 1.00 0.00 H new ATOM 0 HB THR A 28 -4.149 -3.660 -11.700 1.00 0.00 H new ATOM 0 HG1 THR A 28 -2.204 -3.564 -13.050 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.799 -1.977 -13.478 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.735 -1.338 -12.105 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.017 -0.911 -12.287 1.00 0.00 H new ATOM 401 N TRP A 29 -5.049 -1.535 -8.837 1.00 0.00 N ATOM 402 CA TRP A 29 -6.363 -1.409 -8.251 1.00 0.00 C ATOM 403 C TRP A 29 -7.300 -0.743 -9.249 1.00 0.00 C ATOM 404 O TRP A 29 -7.160 0.441 -9.543 1.00 0.00 O ATOM 405 CB TRP A 29 -6.302 -0.566 -6.979 1.00 0.00 C ATOM 406 CG TRP A 29 -7.654 -0.269 -6.420 1.00 0.00 C ATOM 407 CD1 TRP A 29 -8.345 -1.038 -5.544 1.00 0.00 C ATOM 408 CD2 TRP A 29 -8.486 0.859 -6.715 1.00 0.00 C ATOM 409 NE1 TRP A 29 -9.561 -0.460 -5.260 1.00 0.00 N ATOM 410 CE2 TRP A 29 -9.669 0.708 -5.968 1.00 0.00 C ATOM 411 CE3 TRP A 29 -8.346 1.984 -7.533 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -10.704 1.638 -6.015 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -9.375 2.907 -7.581 1.00 0.00 C ATOM 414 CH2 TRP A 29 -10.539 2.729 -6.825 1.00 0.00 C ATOM 0 H TRP A 29 -4.445 -0.725 -8.696 1.00 0.00 H new ATOM 0 HA TRP A 29 -6.731 -2.403 -7.999 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -5.710 -1.090 -6.229 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -5.788 0.371 -7.193 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -7.992 -1.970 -5.129 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -10.266 -0.839 -4.627 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -7.450 2.130 -8.118 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -11.604 1.504 -5.434 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -9.279 3.778 -8.212 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -11.324 3.468 -6.882 1.00 0.00 H new ATOM 425 N ARG A 30 -8.250 -1.506 -9.767 1.00 0.00 N ATOM 426 CA ARG A 30 -9.203 -0.977 -10.737 1.00 0.00 C ATOM 427 C ARG A 30 -10.598 -0.880 -10.133 1.00 0.00 C ATOM 428 O ARG A 30 -11.092 -1.834 -9.541 1.00 0.00 O ATOM 429 CB ARG A 30 -9.236 -1.861 -11.984 1.00 0.00 C ATOM 430 CG ARG A 30 -10.075 -1.287 -13.114 1.00 0.00 C ATOM 431 CD ARG A 30 -10.386 -2.339 -14.168 1.00 0.00 C ATOM 432 NE ARG A 30 -10.867 -1.743 -15.412 1.00 0.00 N ATOM 433 CZ ARG A 30 -11.455 -2.434 -16.385 1.00 0.00 C ATOM 434 NH1 ARG A 30 -11.637 -3.743 -16.264 1.00 0.00 N ATOM 435 NH2 ARG A 30 -11.862 -1.814 -17.484 1.00 0.00 N ATOM 0 H ARG A 30 -8.384 -2.490 -9.535 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.878 0.025 -11.018 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.217 -2.012 -12.340 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.627 -2.842 -11.714 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -11.006 -0.888 -12.711 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -9.545 -0.454 -13.575 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -9.490 -2.926 -14.370 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -11.137 -3.028 -13.782 1.00 0.00 H new ATOM 0 HE ARG A 30 -10.745 -0.739 -15.542 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -11.325 -4.225 -15.421 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -12.089 -4.267 -17.014 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -11.724 -0.808 -17.583 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -12.313 -2.343 -18.231 1.00 0.00 H new ATOM 449 N SER A 31 -11.235 0.277 -10.291 1.00 0.00 N ATOM 450 CA SER A 31 -12.577 0.483 -9.756 1.00 0.00 C ATOM 451 C SER A 31 -13.497 -0.666 -10.163 1.00 0.00 C ATOM 452 O SER A 31 -13.228 -1.370 -11.135 1.00 0.00 O ATOM 453 CB SER A 31 -13.150 1.809 -10.256 1.00 0.00 C ATOM 454 OG SER A 31 -12.570 2.906 -9.571 1.00 0.00 O ATOM 0 H SER A 31 -10.846 1.082 -10.782 1.00 0.00 H new ATOM 0 HA SER A 31 -12.512 0.513 -8.668 1.00 0.00 H new ATOM 0 HB2 SER A 31 -12.968 1.907 -11.326 1.00 0.00 H new ATOM 0 HB3 SER A 31 -14.231 1.818 -10.115 1.00 0.00 H new ATOM 0 HG SER A 31 -12.034 2.576 -8.820 1.00 0.00 H new ATOM 460 N THR A 32 -14.581 -0.852 -9.417 1.00 0.00 N ATOM 461 CA THR A 32 -15.528 -1.916 -9.712 1.00 0.00 C ATOM 462 C THR A 32 -16.351 -1.545 -10.932 1.00 0.00 C ATOM 463 O THR A 32 -16.680 -2.390 -11.764 1.00 0.00 O ATOM 464 CB THR A 32 -16.441 -2.166 -8.510 1.00 0.00 C ATOM 465 OG1 THR A 32 -15.705 -2.687 -7.418 1.00 0.00 O ATOM 466 CG2 THR A 32 -17.566 -3.133 -8.803 1.00 0.00 C ATOM 0 H THR A 32 -14.823 -0.281 -8.607 1.00 0.00 H new ATOM 0 HA THR A 32 -14.977 -2.833 -9.920 1.00 0.00 H new ATOM 0 HB THR A 32 -16.870 -1.193 -8.270 1.00 0.00 H new ATOM 0 HG1 THR A 32 -15.740 -2.056 -6.669 1.00 0.00 H new ATOM 0 HG21 THR A 32 -18.175 -3.265 -7.908 1.00 0.00 H new ATOM 0 HG22 THR A 32 -18.185 -2.738 -9.608 1.00 0.00 H new ATOM 0 HG23 THR A 32 -17.150 -4.095 -9.104 1.00 0.00 H new ATOM 474 N ASP A 33 -16.667 -0.266 -11.024 1.00 0.00 N ATOM 475 CA ASP A 33 -17.445 0.253 -12.136 1.00 0.00 C ATOM 476 C ASP A 33 -16.550 0.571 -13.333 1.00 0.00 C ATOM 477 O ASP A 33 -17.034 0.740 -14.452 1.00 0.00 O ATOM 478 CB ASP A 33 -18.213 1.505 -11.710 1.00 0.00 C ATOM 479 CG ASP A 33 -19.556 1.176 -11.088 1.00 0.00 C ATOM 480 OD1 ASP A 33 -20.214 0.227 -11.564 1.00 0.00 O ATOM 481 OD2 ASP A 33 -19.948 1.865 -10.123 1.00 0.00 O ATOM 0 H ASP A 33 -16.395 0.437 -10.337 1.00 0.00 H new ATOM 0 HA ASP A 33 -18.156 -0.517 -12.435 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -17.614 2.070 -10.996 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -18.365 2.147 -12.577 1.00 0.00 H new ATOM 486 N GLY A 34 -15.244 0.654 -13.091 1.00 0.00 N ATOM 487 CA GLY A 34 -14.309 0.954 -14.159 1.00 0.00 C ATOM 488 C GLY A 34 -14.139 2.444 -14.373 1.00 0.00 C ATOM 489 O GLY A 34 -13.958 2.900 -15.503 1.00 0.00 O ATOM 0 H GLY A 34 -14.818 0.519 -12.174 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -13.341 0.510 -13.927 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -14.657 0.494 -15.084 1.00 0.00 H new ATOM 493 N ASP A 35 -14.205 3.206 -13.286 1.00 0.00 N ATOM 494 CA ASP A 35 -14.062 4.654 -13.358 1.00 0.00 C ATOM 495 C ASP A 35 -12.596 5.071 -13.320 1.00 0.00 C ATOM 496 O ASP A 35 -12.231 6.134 -13.821 1.00 0.00 O ATOM 497 CB ASP A 35 -14.824 5.321 -12.212 1.00 0.00 C ATOM 498 CG ASP A 35 -16.263 4.851 -12.123 1.00 0.00 C ATOM 499 OD1 ASP A 35 -16.896 4.678 -13.186 1.00 0.00 O ATOM 500 OD2 ASP A 35 -16.756 4.656 -10.994 1.00 0.00 O ATOM 0 H ASP A 35 -14.357 2.844 -12.345 1.00 0.00 H new ATOM 0 HA ASP A 35 -14.483 4.982 -14.308 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -14.317 5.110 -11.271 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -14.806 6.402 -12.348 1.00 0.00 H new ATOM 505 N LYS A 36 -11.761 4.232 -12.719 1.00 0.00 N ATOM 506 CA LYS A 36 -10.335 4.523 -12.616 1.00 0.00 C ATOM 507 C LYS A 36 -9.577 3.368 -11.987 1.00 0.00 C ATOM 508 O LYS A 36 -10.165 2.463 -11.394 1.00 0.00 O ATOM 509 CB LYS A 36 -10.114 5.802 -11.805 1.00 0.00 C ATOM 510 CG LYS A 36 -10.462 5.659 -10.331 1.00 0.00 C ATOM 511 CD LYS A 36 -11.691 6.476 -9.962 1.00 0.00 C ATOM 512 CE LYS A 36 -11.310 7.870 -9.488 1.00 0.00 C ATOM 513 NZ LYS A 36 -12.314 8.889 -9.897 1.00 0.00 N ATOM 0 H LYS A 36 -12.044 3.348 -12.297 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.950 4.667 -13.625 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.070 6.103 -11.895 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.715 6.603 -12.235 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.640 4.609 -10.099 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.615 5.980 -9.724 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -12.352 6.552 -10.826 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -12.248 5.963 -9.178 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.214 7.871 -8.402 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.335 8.138 -9.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -12.018 9.825 -9.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -12.388 8.907 -10.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -13.239 8.648 -9.488 1.00 0.00 H new ATOM 527 N VAL A 37 -8.263 3.400 -12.148 1.00 0.00 N ATOM 528 CA VAL A 37 -7.399 2.359 -11.631 1.00 0.00 C ATOM 529 C VAL A 37 -6.058 2.932 -11.176 1.00 0.00 C ATOM 530 O VAL A 37 -5.564 3.908 -11.741 1.00 0.00 O ATOM 531 CB VAL A 37 -7.172 1.285 -12.713 1.00 0.00 C ATOM 532 CG1 VAL A 37 -7.035 1.938 -14.084 1.00 0.00 C ATOM 533 CG2 VAL A 37 -5.960 0.411 -12.396 1.00 0.00 C ATOM 0 H VAL A 37 -7.771 4.146 -12.639 1.00 0.00 H new ATOM 0 HA VAL A 37 -7.886 1.908 -10.766 1.00 0.00 H new ATOM 0 HB VAL A 37 -8.043 0.630 -12.725 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.875 1.168 -14.839 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -7.945 2.491 -14.316 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.187 2.622 -14.078 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.833 -0.334 -13.182 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.067 1.034 -12.339 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -6.114 -0.092 -11.441 1.00 0.00 H new ATOM 543 N HIS A 38 -5.477 2.319 -10.152 1.00 0.00 N ATOM 544 CA HIS A 38 -4.193 2.765 -9.620 1.00 0.00 C ATOM 545 C HIS A 38 -3.172 1.633 -9.648 1.00 0.00 C ATOM 546 O HIS A 38 -3.381 0.579 -9.047 1.00 0.00 O ATOM 547 CB HIS A 38 -4.361 3.280 -8.189 1.00 0.00 C ATOM 548 CG HIS A 38 -4.691 4.738 -8.114 1.00 0.00 C ATOM 549 ND1 HIS A 38 -5.946 5.242 -8.387 1.00 0.00 N ATOM 550 CD2 HIS A 38 -3.922 5.805 -7.791 1.00 0.00 C ATOM 551 CE1 HIS A 38 -5.933 6.554 -8.238 1.00 0.00 C ATOM 552 NE2 HIS A 38 -4.717 6.921 -7.876 1.00 0.00 N ATOM 0 H HIS A 38 -5.874 1.511 -9.672 1.00 0.00 H new ATOM 0 HA HIS A 38 -3.828 3.576 -10.250 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -5.150 2.711 -7.697 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -3.441 3.095 -7.634 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -2.877 5.782 -7.517 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -6.774 7.215 -8.387 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -4.417 7.878 -7.690 1.00 0.00 H new ATOM 561 N THR A 39 -2.065 1.857 -10.350 1.00 0.00 N ATOM 562 CA THR A 39 -1.010 0.855 -10.455 1.00 0.00 C ATOM 563 C THR A 39 0.092 1.118 -9.433 1.00 0.00 C ATOM 564 O THR A 39 0.465 2.266 -9.190 1.00 0.00 O ATOM 565 CB THR A 39 -0.423 0.845 -11.868 1.00 0.00 C ATOM 566 OG1 THR A 39 -1.311 1.460 -12.786 1.00 0.00 O ATOM 567 CG2 THR A 39 -0.124 -0.547 -12.381 1.00 0.00 C ATOM 0 H THR A 39 -1.876 2.723 -10.854 1.00 0.00 H new ATOM 0 HA THR A 39 -1.448 -0.121 -10.247 1.00 0.00 H new ATOM 0 HB THR A 39 0.514 1.398 -11.795 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.916 1.445 -13.683 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.290 -0.483 -13.387 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.597 -1.030 -11.722 1.00 0.00 H new ATOM 0 HG23 THR A 39 -1.044 -1.132 -12.403 1.00 0.00 H new ATOM 575 N VAL A 40 0.604 0.049 -8.834 1.00 0.00 N ATOM 576 CA VAL A 40 1.656 0.164 -7.833 1.00 0.00 C ATOM 577 C VAL A 40 2.847 -0.722 -8.172 1.00 0.00 C ATOM 578 O VAL A 40 2.682 -1.860 -8.604 1.00 0.00 O ATOM 579 CB VAL A 40 1.127 -0.214 -6.425 1.00 0.00 C ATOM 580 CG1 VAL A 40 1.927 -1.354 -5.802 1.00 0.00 C ATOM 581 CG2 VAL A 40 1.141 0.990 -5.510 1.00 0.00 C ATOM 0 H VAL A 40 0.307 -0.908 -9.025 1.00 0.00 H new ATOM 0 HA VAL A 40 1.979 1.205 -7.831 1.00 0.00 H new ATOM 0 HB VAL A 40 0.100 -0.558 -6.549 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.523 -1.586 -4.817 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.860 -2.236 -6.439 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.971 -1.055 -5.705 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.766 0.704 -4.527 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.161 1.363 -5.415 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.506 1.772 -5.927 1.00 0.00 H new ATOM 591 N VAL A 41 4.044 -0.203 -7.936 1.00 0.00 N ATOM 592 CA VAL A 41 5.260 -0.962 -8.174 1.00 0.00 C ATOM 593 C VAL A 41 5.820 -1.442 -6.843 1.00 0.00 C ATOM 594 O VAL A 41 6.524 -0.703 -6.155 1.00 0.00 O ATOM 595 CB VAL A 41 6.328 -0.129 -8.910 1.00 0.00 C ATOM 596 CG1 VAL A 41 7.507 -1.006 -9.309 1.00 0.00 C ATOM 597 CG2 VAL A 41 5.729 0.555 -10.130 1.00 0.00 C ATOM 0 H VAL A 41 4.197 0.741 -7.580 1.00 0.00 H new ATOM 0 HA VAL A 41 5.006 -1.810 -8.810 1.00 0.00 H new ATOM 0 HB VAL A 41 6.690 0.643 -8.231 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.251 -0.401 -9.827 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.953 -1.444 -8.416 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.162 -1.801 -9.969 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.499 1.138 -10.635 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.337 -0.198 -10.814 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.921 1.216 -9.816 1.00 0.00 H new ATOM 607 N LEU A 42 5.485 -2.679 -6.479 1.00 0.00 N ATOM 608 CA LEU A 42 5.930 -3.268 -5.217 1.00 0.00 C ATOM 609 C LEU A 42 7.404 -2.958 -4.931 1.00 0.00 C ATOM 610 O LEU A 42 7.832 -2.959 -3.777 1.00 0.00 O ATOM 611 CB LEU A 42 5.703 -4.782 -5.234 1.00 0.00 C ATOM 612 CG LEU A 42 4.244 -5.256 -5.105 1.00 0.00 C ATOM 613 CD1 LEU A 42 3.824 -5.346 -3.653 1.00 0.00 C ATOM 614 CD2 LEU A 42 3.285 -4.350 -5.843 1.00 0.00 C ATOM 0 H LEU A 42 4.903 -3.296 -7.045 1.00 0.00 H new ATOM 0 HA LEU A 42 5.339 -2.822 -4.418 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.110 -5.178 -6.164 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.279 -5.223 -4.420 1.00 0.00 H new ATOM 0 HG LEU A 42 4.202 -6.247 -5.557 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.789 -5.683 -3.594 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.467 -6.055 -3.131 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.913 -4.365 -3.187 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.268 -4.723 -5.724 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.351 -3.341 -5.436 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.544 -4.332 -6.902 1.00 0.00 H new ATOM 626 N SER A 43 8.170 -2.676 -5.982 1.00 0.00 N ATOM 627 CA SER A 43 9.583 -2.349 -5.836 1.00 0.00 C ATOM 628 C SER A 43 9.728 -0.928 -5.318 1.00 0.00 C ATOM 629 O SER A 43 10.446 -0.678 -4.350 1.00 0.00 O ATOM 630 CB SER A 43 10.315 -2.495 -7.169 1.00 0.00 C ATOM 631 OG SER A 43 11.192 -3.607 -7.150 1.00 0.00 O ATOM 0 H SER A 43 7.834 -2.668 -6.945 1.00 0.00 H new ATOM 0 HA SER A 43 10.028 -3.043 -5.123 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.590 -2.613 -7.974 1.00 0.00 H new ATOM 0 HB3 SER A 43 10.879 -1.586 -7.379 1.00 0.00 H new ATOM 0 HG SER A 43 12.049 -3.355 -7.554 1.00 0.00 H new ATOM 637 N THR A 44 9.016 -0.003 -5.954 1.00 0.00 N ATOM 638 CA THR A 44 9.041 1.378 -5.541 1.00 0.00 C ATOM 639 C THR A 44 8.446 1.488 -4.147 1.00 0.00 C ATOM 640 O THR A 44 8.794 2.383 -3.377 1.00 0.00 O ATOM 641 CB THR A 44 8.252 2.228 -6.528 1.00 0.00 C ATOM 642 OG1 THR A 44 6.871 1.922 -6.465 1.00 0.00 O ATOM 643 CG2 THR A 44 8.700 2.052 -7.963 1.00 0.00 C ATOM 0 H THR A 44 8.417 -0.194 -6.757 1.00 0.00 H new ATOM 0 HA THR A 44 10.069 1.741 -5.522 1.00 0.00 H new ATOM 0 HB THR A 44 8.439 3.260 -6.232 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.753 1.007 -6.133 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.097 2.686 -8.613 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.749 2.334 -8.054 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.577 1.010 -8.257 1.00 0.00 H new ATOM 651 N ILE A 45 7.557 0.548 -3.820 1.00 0.00 N ATOM 652 CA ILE A 45 6.930 0.521 -2.509 1.00 0.00 C ATOM 653 C ILE A 45 7.991 0.465 -1.410 1.00 0.00 C ATOM 654 O ILE A 45 8.637 -0.562 -1.210 1.00 0.00 O ATOM 655 CB ILE A 45 5.997 -0.696 -2.364 1.00 0.00 C ATOM 656 CG1 ILE A 45 4.881 -0.646 -3.411 1.00 0.00 C ATOM 657 CG2 ILE A 45 5.416 -0.760 -0.960 1.00 0.00 C ATOM 658 CD1 ILE A 45 3.999 0.577 -3.307 1.00 0.00 C ATOM 0 H ILE A 45 7.260 -0.200 -4.447 1.00 0.00 H new ATOM 0 HA ILE A 45 6.343 1.434 -2.409 1.00 0.00 H new ATOM 0 HB ILE A 45 6.582 -1.600 -2.532 1.00 0.00 H new ATOM 0 HG12 ILE A 45 5.327 -0.677 -4.405 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.262 -1.538 -3.311 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.760 -1.626 -0.877 1.00 0.00 H new ATOM 0 HG22 ILE A 45 6.225 -0.847 -0.235 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.846 0.147 -0.760 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.233 0.540 -4.082 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.523 0.600 -2.327 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.604 1.474 -3.438 1.00 0.00 H new ATOM 670 N ASP A 46 8.167 1.578 -0.705 1.00 0.00 N ATOM 671 CA ASP A 46 9.152 1.659 0.370 1.00 0.00 C ATOM 672 C ASP A 46 8.967 0.534 1.386 1.00 0.00 C ATOM 673 O ASP A 46 9.925 0.104 2.028 1.00 0.00 O ATOM 674 CB ASP A 46 9.056 3.015 1.074 1.00 0.00 C ATOM 675 CG ASP A 46 10.178 3.229 2.071 1.00 0.00 C ATOM 676 OD1 ASP A 46 10.045 2.769 3.223 1.00 0.00 O ATOM 677 OD2 ASP A 46 11.190 3.859 1.698 1.00 0.00 O ATOM 0 H ASP A 46 7.640 2.438 -0.858 1.00 0.00 H new ATOM 0 HA ASP A 46 10.140 1.551 -0.078 1.00 0.00 H new ATOM 0 HB2 ASP A 46 9.079 3.810 0.329 1.00 0.00 H new ATOM 0 HB3 ASP A 46 8.098 3.087 1.588 1.00 0.00 H new ATOM 682 N LYS A 47 7.733 0.058 1.527 1.00 0.00 N ATOM 683 CA LYS A 47 7.435 -1.018 2.464 1.00 0.00 C ATOM 684 C LYS A 47 5.995 -1.495 2.307 1.00 0.00 C ATOM 685 O LYS A 47 5.164 -0.815 1.708 1.00 0.00 O ATOM 686 CB LYS A 47 7.693 -0.564 3.905 1.00 0.00 C ATOM 687 CG LYS A 47 6.688 0.449 4.425 1.00 0.00 C ATOM 688 CD LYS A 47 6.716 0.534 5.944 1.00 0.00 C ATOM 689 CE LYS A 47 7.376 1.819 6.419 1.00 0.00 C ATOM 690 NZ LYS A 47 8.839 1.827 6.142 1.00 0.00 N ATOM 0 H LYS A 47 6.926 0.400 1.005 1.00 0.00 H new ATOM 0 HA LYS A 47 8.097 -1.854 2.239 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.683 -1.437 4.557 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.692 -0.133 3.965 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.905 1.429 4.001 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.687 0.173 4.093 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.698 0.482 6.331 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.255 -0.323 6.347 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.908 2.671 5.926 1.00 0.00 H new ATOM 0 HE3 LYS A 47 7.208 1.939 7.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.316 2.463 6.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.218 0.864 6.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.007 2.159 5.171 1.00 0.00 H new ATOM 704 N LEU A 48 5.713 -2.670 2.849 1.00 0.00 N ATOM 705 CA LEU A 48 4.381 -3.257 2.770 1.00 0.00 C ATOM 706 C LEU A 48 3.697 -3.234 4.139 1.00 0.00 C ATOM 707 O LEU A 48 4.222 -3.781 5.108 1.00 0.00 O ATOM 708 CB LEU A 48 4.496 -4.696 2.278 1.00 0.00 C ATOM 709 CG LEU A 48 3.189 -5.342 1.833 1.00 0.00 C ATOM 710 CD1 LEU A 48 2.453 -4.448 0.844 1.00 0.00 C ATOM 711 CD2 LEU A 48 3.471 -6.703 1.220 1.00 0.00 C ATOM 0 H LEU A 48 6.393 -3.240 3.352 1.00 0.00 H new ATOM 0 HA LEU A 48 3.779 -2.673 2.074 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.197 -4.722 1.443 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.928 -5.301 3.075 1.00 0.00 H new ATOM 0 HG LEU A 48 2.548 -5.474 2.705 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.523 -4.929 0.540 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.229 -3.491 1.315 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.079 -4.283 -0.033 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.534 -7.161 0.904 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.127 -6.585 0.357 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.955 -7.342 1.959 1.00 0.00 H new ATOM 723 N GLN A 49 2.530 -2.596 4.218 1.00 0.00 N ATOM 724 CA GLN A 49 1.795 -2.512 5.477 1.00 0.00 C ATOM 725 C GLN A 49 0.380 -3.058 5.326 1.00 0.00 C ATOM 726 O GLN A 49 -0.232 -2.930 4.273 1.00 0.00 O ATOM 727 CB GLN A 49 1.729 -1.061 5.949 1.00 0.00 C ATOM 728 CG GLN A 49 3.056 -0.327 5.859 1.00 0.00 C ATOM 729 CD GLN A 49 3.322 0.548 7.068 1.00 0.00 C ATOM 730 OE1 GLN A 49 4.156 0.222 7.912 1.00 0.00 O ATOM 731 NE2 GLN A 49 2.612 1.666 7.157 1.00 0.00 N ATOM 0 H GLN A 49 2.077 -2.133 3.430 1.00 0.00 H new ATOM 0 HA GLN A 49 2.324 -3.116 6.214 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.988 -0.528 5.353 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.382 -1.040 6.982 1.00 0.00 H new ATOM 0 HG2 GLN A 49 3.862 -1.053 5.756 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.066 0.289 4.960 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.931 1.897 6.434 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.747 2.295 7.949 1.00 0.00 H new ATOM 740 N ALA A 50 -0.133 -3.668 6.388 1.00 0.00 N ATOM 741 CA ALA A 50 -1.476 -4.229 6.374 1.00 0.00 C ATOM 742 C ALA A 50 -2.023 -4.350 7.795 1.00 0.00 C ATOM 743 O ALA A 50 -1.273 -4.623 8.732 1.00 0.00 O ATOM 744 CB ALA A 50 -1.455 -5.576 5.685 1.00 0.00 C ATOM 0 H ALA A 50 0.363 -3.786 7.271 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.137 -3.562 5.820 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.461 -5.995 5.675 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.102 -5.455 4.661 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.787 -6.249 6.222 1.00 0.00 H new ATOM 750 N THR A 51 -3.330 -4.144 7.958 1.00 0.00 N ATOM 751 CA THR A 51 -3.949 -4.232 9.278 1.00 0.00 C ATOM 752 C THR A 51 -3.956 -5.670 9.789 1.00 0.00 C ATOM 753 O THR A 51 -4.001 -6.617 9.005 1.00 0.00 O ATOM 754 CB THR A 51 -5.375 -3.687 9.237 1.00 0.00 C ATOM 755 OG1 THR A 51 -6.187 -4.476 8.389 1.00 0.00 O ATOM 756 CG2 THR A 51 -5.455 -2.255 8.752 1.00 0.00 C ATOM 0 H THR A 51 -3.974 -3.917 7.200 1.00 0.00 H new ATOM 0 HA THR A 51 -3.356 -3.627 9.964 1.00 0.00 H new ATOM 0 HB THR A 51 -5.729 -3.723 10.267 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.626 -5.113 7.899 1.00 0.00 H new ATOM 0 HG21 THR A 51 -6.495 -1.930 8.747 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.877 -1.613 9.417 1.00 0.00 H new ATOM 0 HG23 THR A 51 -5.050 -2.190 7.742 1.00 0.00 H new ATOM 764 N PRO A 52 -3.911 -5.851 11.122 1.00 0.00 N ATOM 765 CA PRO A 52 -3.912 -7.178 11.742 1.00 0.00 C ATOM 766 C PRO A 52 -5.291 -7.831 11.722 1.00 0.00 C ATOM 767 O PRO A 52 -6.302 -7.162 11.512 1.00 0.00 O ATOM 768 CB PRO A 52 -3.479 -6.890 13.179 1.00 0.00 C ATOM 769 CG PRO A 52 -3.953 -5.502 13.440 1.00 0.00 C ATOM 770 CD PRO A 52 -3.855 -4.771 12.127 1.00 0.00 C ATOM 0 HA PRO A 52 -3.263 -7.876 11.214 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -3.924 -7.599 13.877 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -2.398 -6.968 13.291 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -4.979 -5.504 13.809 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -3.341 -5.018 14.201 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.674 -4.063 12.000 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.928 -4.202 12.053 1.00 0.00 H new ATOM 778 N ALA A 53 -5.322 -9.141 11.942 1.00 0.00 N ATOM 779 CA ALA A 53 -6.574 -9.888 11.949 1.00 0.00 C ATOM 780 C ALA A 53 -7.484 -9.439 13.090 1.00 0.00 C ATOM 781 O ALA A 53 -8.702 -9.604 13.024 1.00 0.00 O ATOM 782 CB ALA A 53 -6.296 -11.380 12.052 1.00 0.00 C ATOM 0 H ALA A 53 -4.493 -9.708 12.118 1.00 0.00 H new ATOM 0 HA ALA A 53 -7.090 -9.686 11.010 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.239 -11.926 12.056 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -5.696 -11.698 11.199 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -5.753 -11.586 12.974 1.00 0.00 H new ATOM 788 N SER A 54 -6.888 -8.871 14.135 1.00 0.00 N ATOM 789 CA SER A 54 -7.652 -8.402 15.287 1.00 0.00 C ATOM 790 C SER A 54 -8.472 -7.164 14.936 1.00 0.00 C ATOM 791 O SER A 54 -9.438 -6.831 15.622 1.00 0.00 O ATOM 792 CB SER A 54 -6.715 -8.093 16.455 1.00 0.00 C ATOM 793 OG SER A 54 -6.411 -9.266 17.190 1.00 0.00 O ATOM 0 H SER A 54 -5.881 -8.725 14.208 1.00 0.00 H new ATOM 0 HA SER A 54 -8.339 -9.196 15.580 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.794 -7.647 16.078 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.179 -7.358 17.113 1.00 0.00 H new ATOM 0 HG SER A 54 -5.809 -9.042 17.930 1.00 0.00 H new ATOM 799 N SER A 55 -8.081 -6.486 13.862 1.00 0.00 N ATOM 800 CA SER A 55 -8.779 -5.286 13.416 1.00 0.00 C ATOM 801 C SER A 55 -10.131 -5.633 12.814 1.00 0.00 C ATOM 802 O SER A 55 -10.217 -6.403 11.857 1.00 0.00 O ATOM 803 CB SER A 55 -7.931 -4.532 12.390 1.00 0.00 C ATOM 804 OG SER A 55 -6.940 -3.745 13.026 1.00 0.00 O ATOM 0 H SER A 55 -7.283 -6.748 13.283 1.00 0.00 H new ATOM 0 HA SER A 55 -8.943 -4.648 14.285 1.00 0.00 H new ATOM 0 HB2 SER A 55 -7.456 -5.243 11.713 1.00 0.00 H new ATOM 0 HB3 SER A 55 -8.572 -3.893 11.783 1.00 0.00 H new ATOM 0 HG SER A 55 -6.792 -4.078 13.936 1.00 0.00 H new ATOM 810 N GLU A 56 -11.186 -5.045 13.369 1.00 0.00 N ATOM 811 CA GLU A 56 -12.536 -5.278 12.871 1.00 0.00 C ATOM 812 C GLU A 56 -12.618 -4.937 11.386 1.00 0.00 C ATOM 813 O GLU A 56 -13.536 -5.367 10.687 1.00 0.00 O ATOM 814 CB GLU A 56 -13.547 -4.442 13.658 1.00 0.00 C ATOM 815 CG GLU A 56 -14.054 -5.126 14.917 1.00 0.00 C ATOM 816 CD GLU A 56 -15.440 -5.716 14.742 1.00 0.00 C ATOM 817 OE1 GLU A 56 -16.425 -4.954 14.838 1.00 0.00 O ATOM 818 OE2 GLU A 56 -15.540 -6.939 14.509 1.00 0.00 O ATOM 0 H GLU A 56 -11.132 -4.405 14.162 1.00 0.00 H new ATOM 0 HA GLU A 56 -12.776 -6.333 13.004 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -13.086 -3.493 13.931 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -14.395 -4.211 13.013 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.360 -5.917 15.201 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -14.070 -4.407 15.736 1.00 0.00 H new ATOM 825 N LYS A 57 -11.639 -4.169 10.908 1.00 0.00 N ATOM 826 CA LYS A 57 -11.588 -3.779 9.502 1.00 0.00 C ATOM 827 C LYS A 57 -10.214 -4.080 8.907 1.00 0.00 C ATOM 828 O LYS A 57 -9.196 -3.555 9.358 1.00 0.00 O ATOM 829 CB LYS A 57 -11.939 -2.295 9.325 1.00 0.00 C ATOM 830 CG LYS A 57 -11.625 -1.433 10.535 1.00 0.00 C ATOM 831 CD LYS A 57 -10.162 -1.536 10.914 1.00 0.00 C ATOM 832 CE LYS A 57 -9.858 -0.762 12.187 1.00 0.00 C ATOM 833 NZ LYS A 57 -10.002 -1.611 13.401 1.00 0.00 N ATOM 0 H LYS A 57 -10.872 -3.806 11.474 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.333 -4.367 8.966 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.396 -1.905 8.464 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -13.002 -2.209 9.097 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.876 -0.394 10.320 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -12.244 -1.743 11.377 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -9.894 -2.584 11.052 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -9.547 -1.154 10.099 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -8.843 -0.368 12.138 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -10.529 0.094 12.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -10.056 -1.005 14.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -10.870 -2.179 13.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -9.181 -2.244 13.482 1.00 0.00 H new ATOM 847 N MET A 58 -10.192 -4.944 7.897 1.00 0.00 N ATOM 848 CA MET A 58 -8.945 -5.330 7.247 1.00 0.00 C ATOM 849 C MET A 58 -8.557 -4.341 6.152 1.00 0.00 C ATOM 850 O MET A 58 -9.393 -3.931 5.347 1.00 0.00 O ATOM 851 CB MET A 58 -9.072 -6.734 6.661 1.00 0.00 C ATOM 852 CG MET A 58 -9.194 -7.821 7.717 1.00 0.00 C ATOM 853 SD MET A 58 -10.809 -7.837 8.520 1.00 0.00 S ATOM 854 CE MET A 58 -11.896 -7.914 7.099 1.00 0.00 C ATOM 0 H MET A 58 -11.024 -5.390 7.511 1.00 0.00 H new ATOM 0 HA MET A 58 -8.158 -5.322 8.001 1.00 0.00 H new ATOM 0 HB2 MET A 58 -9.946 -6.770 6.010 1.00 0.00 H new ATOM 0 HB3 MET A 58 -8.202 -6.939 6.038 1.00 0.00 H new ATOM 0 HG2 MET A 58 -9.013 -8.792 7.255 1.00 0.00 H new ATOM 0 HG3 MET A 58 -8.420 -7.677 8.471 1.00 0.00 H new ATOM 0 HE1 MET A 58 -12.435 -6.972 7.002 1.00 0.00 H new ATOM 0 HE2 MET A 58 -11.307 -8.090 6.199 1.00 0.00 H new ATOM 0 HE3 MET A 58 -12.609 -8.728 7.230 1.00 0.00 H new ATOM 864 N MET A 59 -7.283 -3.957 6.135 1.00 0.00 N ATOM 865 CA MET A 59 -6.781 -3.012 5.145 1.00 0.00 C ATOM 866 C MET A 59 -5.311 -3.265 4.822 1.00 0.00 C ATOM 867 O MET A 59 -4.516 -3.576 5.708 1.00 0.00 O ATOM 868 CB MET A 59 -6.939 -1.583 5.658 1.00 0.00 C ATOM 869 CG MET A 59 -8.386 -1.144 5.810 1.00 0.00 C ATOM 870 SD MET A 59 -8.991 -1.327 7.498 1.00 0.00 S ATOM 871 CE MET A 59 -8.590 0.280 8.178 1.00 0.00 C ATOM 0 H MET A 59 -6.580 -4.287 6.797 1.00 0.00 H new ATOM 0 HA MET A 59 -7.365 -3.150 4.235 1.00 0.00 H new ATOM 0 HB2 MET A 59 -6.439 -1.495 6.623 1.00 0.00 H new ATOM 0 HB3 MET A 59 -6.432 -0.903 4.973 1.00 0.00 H new ATOM 0 HG2 MET A 59 -8.480 -0.102 5.505 1.00 0.00 H new ATOM 0 HG3 MET A 59 -9.012 -1.730 5.138 1.00 0.00 H new ATOM 0 HE1 MET A 59 -7.997 0.154 9.084 1.00 0.00 H new ATOM 0 HE2 MET A 59 -8.019 0.852 7.447 1.00 0.00 H new ATOM 0 HE3 MET A 59 -9.510 0.813 8.418 1.00 0.00 H new ATOM 881 N LEU A 60 -4.954 -3.097 3.555 1.00 0.00 N ATOM 882 CA LEU A 60 -3.572 -3.276 3.119 1.00 0.00 C ATOM 883 C LEU A 60 -3.016 -1.958 2.591 1.00 0.00 C ATOM 884 O LEU A 60 -3.747 -1.158 2.007 1.00 0.00 O ATOM 885 CB LEU A 60 -3.468 -4.354 2.039 1.00 0.00 C ATOM 886 CG LEU A 60 -4.040 -5.726 2.408 1.00 0.00 C ATOM 887 CD1 LEU A 60 -3.613 -6.757 1.385 1.00 0.00 C ATOM 888 CD2 LEU A 60 -3.583 -6.163 3.788 1.00 0.00 C ATOM 0 H LEU A 60 -5.601 -2.837 2.810 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.985 -3.598 3.979 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -3.980 -3.997 1.145 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.417 -4.478 1.777 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.127 -5.643 2.417 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.024 -7.730 1.655 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.982 -6.468 0.401 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.525 -6.817 1.361 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.007 -7.140 4.019 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.495 -6.225 3.808 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.919 -5.438 4.529 1.00 0.00 H new ATOM 900 N ARG A 61 -1.727 -1.723 2.812 1.00 0.00 N ATOM 901 CA ARG A 61 -1.096 -0.486 2.368 1.00 0.00 C ATOM 902 C ARG A 61 0.335 -0.707 1.892 1.00 0.00 C ATOM 903 O ARG A 61 1.048 -1.570 2.402 1.00 0.00 O ATOM 904 CB ARG A 61 -1.083 0.525 3.511 1.00 0.00 C ATOM 905 CG ARG A 61 -0.975 1.970 3.049 1.00 0.00 C ATOM 906 CD ARG A 61 -0.238 2.825 4.066 1.00 0.00 C ATOM 907 NE ARG A 61 -1.078 3.160 5.213 1.00 0.00 N ATOM 908 CZ ARG A 61 -0.637 3.793 6.297 1.00 0.00 C ATOM 909 NH1 ARG A 61 0.635 4.164 6.385 1.00 0.00 N ATOM 910 NH2 ARG A 61 -1.468 4.059 7.294 1.00 0.00 N ATOM 0 H ARG A 61 -1.102 -2.369 3.293 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.680 -0.111 1.527 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.994 0.408 4.098 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.246 0.301 4.173 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.454 2.009 2.093 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.973 2.376 2.885 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.650 2.294 4.410 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.104 3.743 3.588 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.062 2.893 5.181 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.279 3.964 5.619 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.968 4.649 7.218 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.447 3.778 7.231 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -1.129 4.544 8.125 1.00 0.00 H new ATOM 924 N LEU A 62 0.754 0.109 0.930 1.00 0.00 N ATOM 925 CA LEU A 62 2.110 0.045 0.397 1.00 0.00 C ATOM 926 C LEU A 62 2.740 1.434 0.431 1.00 0.00 C ATOM 927 O LEU A 62 2.268 2.353 -0.238 1.00 0.00 O ATOM 928 CB LEU A 62 2.112 -0.496 -1.034 1.00 0.00 C ATOM 929 CG LEU A 62 1.490 -1.881 -1.204 1.00 0.00 C ATOM 930 CD1 LEU A 62 0.210 -1.782 -2.008 1.00 0.00 C ATOM 931 CD2 LEU A 62 2.469 -2.849 -1.866 1.00 0.00 C ATOM 0 H LEU A 62 0.169 0.827 0.501 1.00 0.00 H new ATOM 0 HA LEU A 62 2.694 -0.635 1.017 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.576 0.207 -1.672 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.141 -0.531 -1.391 1.00 0.00 H new ATOM 0 HG LEU A 62 1.255 -2.273 -0.215 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.225 -2.775 -2.123 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.496 -1.134 -1.489 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.429 -1.366 -2.991 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.998 -3.826 -1.974 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.747 -2.470 -2.849 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.362 -2.943 -1.248 1.00 0.00 H new ATOM 943 N ILE A 63 3.797 1.588 1.218 1.00 0.00 N ATOM 944 CA ILE A 63 4.471 2.875 1.335 1.00 0.00 C ATOM 945 C ILE A 63 5.336 3.146 0.111 1.00 0.00 C ATOM 946 O ILE A 63 5.741 2.218 -0.584 1.00 0.00 O ATOM 947 CB ILE A 63 5.356 2.935 2.595 1.00 0.00 C ATOM 948 CG1 ILE A 63 4.582 2.432 3.815 1.00 0.00 C ATOM 949 CG2 ILE A 63 5.859 4.353 2.827 1.00 0.00 C ATOM 950 CD1 ILE A 63 3.359 3.259 4.140 1.00 0.00 C ATOM 0 H ILE A 63 4.205 0.842 1.782 1.00 0.00 H new ATOM 0 HA ILE A 63 3.694 3.636 1.411 1.00 0.00 H new ATOM 0 HB ILE A 63 6.219 2.286 2.443 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.277 1.400 3.641 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.246 2.426 4.679 1.00 0.00 H new ATOM 0 HG21 ILE A 63 6.482 4.376 3.721 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.446 4.676 1.967 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.010 5.023 2.959 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.861 2.843 5.016 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.659 4.286 4.346 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.674 3.244 3.292 1.00 0.00 H new ATOM 962 N GLY A 64 5.610 4.419 -0.152 1.00 0.00 N ATOM 963 CA GLY A 64 6.422 4.781 -1.298 1.00 0.00 C ATOM 964 C GLY A 64 7.710 5.476 -0.904 1.00 0.00 C ATOM 965 O GLY A 64 7.910 5.811 0.263 1.00 0.00 O ATOM 0 H GLY A 64 5.284 5.207 0.408 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.658 3.883 -1.869 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.847 5.434 -1.954 1.00 0.00 H new ATOM 969 N LYS A 65 8.586 5.693 -1.881 1.00 0.00 N ATOM 970 CA LYS A 65 9.862 6.353 -1.632 1.00 0.00 C ATOM 971 C LYS A 65 9.788 7.833 -1.990 1.00 0.00 C ATOM 972 O LYS A 65 9.382 8.195 -3.094 1.00 0.00 O ATOM 973 CB LYS A 65 10.975 5.677 -2.434 1.00 0.00 C ATOM 974 CG LYS A 65 11.489 4.394 -1.802 1.00 0.00 C ATOM 975 CD LYS A 65 12.567 3.745 -2.654 1.00 0.00 C ATOM 976 CE LYS A 65 13.463 2.841 -1.826 1.00 0.00 C ATOM 977 NZ LYS A 65 14.866 2.839 -2.324 1.00 0.00 N ATOM 0 H LYS A 65 8.435 5.421 -2.852 1.00 0.00 H new ATOM 0 HA LYS A 65 10.086 6.266 -0.569 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.606 5.456 -3.436 1.00 0.00 H new ATOM 0 HB3 LYS A 65 11.805 6.374 -2.546 1.00 0.00 H new ATOM 0 HG2 LYS A 65 11.888 4.610 -0.811 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.662 3.697 -1.667 1.00 0.00 H new ATOM 0 HD2 LYS A 65 12.102 3.166 -3.452 1.00 0.00 H new ATOM 0 HD3 LYS A 65 13.170 4.518 -3.131 1.00 0.00 H new ATOM 0 HE2 LYS A 65 13.448 3.169 -0.787 1.00 0.00 H new ATOM 0 HE3 LYS A 65 13.070 1.825 -1.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 15.444 2.210 -1.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 14.885 2.502 -3.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 15.251 3.804 -2.282 1.00 0.00 H new ATOM 991 N VAL A 66 10.183 8.685 -1.049 1.00 0.00 N ATOM 992 CA VAL A 66 10.161 10.126 -1.266 1.00 0.00 C ATOM 993 C VAL A 66 11.535 10.642 -1.683 1.00 0.00 C ATOM 994 O VAL A 66 12.549 9.977 -1.469 1.00 0.00 O ATOM 995 CB VAL A 66 9.703 10.874 0.003 1.00 0.00 C ATOM 996 CG1 VAL A 66 10.687 10.657 1.140 1.00 0.00 C ATOM 997 CG2 VAL A 66 9.525 12.357 -0.282 1.00 0.00 C ATOM 0 H VAL A 66 10.522 8.402 -0.130 1.00 0.00 H new ATOM 0 HA VAL A 66 9.449 10.317 -2.069 1.00 0.00 H new ATOM 0 HB VAL A 66 8.738 10.469 0.308 1.00 0.00 H new ATOM 0 HG11 VAL A 66 10.345 11.193 2.025 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.755 9.593 1.364 1.00 0.00 H new ATOM 0 HG13 VAL A 66 11.669 11.029 0.848 1.00 0.00 H new ATOM 0 HG21 VAL A 66 9.202 12.866 0.626 1.00 0.00 H new ATOM 0 HG22 VAL A 66 10.472 12.779 -0.617 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.773 12.490 -1.060 1.00 0.00 H new ATOM 1007 N ASP A 67 11.560 11.831 -2.276 1.00 0.00 N ATOM 1008 CA ASP A 67 12.809 12.438 -2.721 1.00 0.00 C ATOM 1009 C ASP A 67 13.134 13.676 -1.892 1.00 0.00 C ATOM 1010 O ASP A 67 12.966 14.806 -2.351 1.00 0.00 O ATOM 1011 CB ASP A 67 12.721 12.808 -4.203 1.00 0.00 C ATOM 1012 CG ASP A 67 12.840 11.598 -5.110 1.00 0.00 C ATOM 1013 OD1 ASP A 67 11.842 10.861 -5.250 1.00 0.00 O ATOM 1014 OD2 ASP A 67 13.932 11.389 -5.679 1.00 0.00 O ATOM 0 H ASP A 67 10.729 12.393 -2.460 1.00 0.00 H new ATOM 0 HA ASP A 67 13.609 11.710 -2.584 1.00 0.00 H new ATOM 0 HB2 ASP A 67 11.772 13.309 -4.394 1.00 0.00 H new ATOM 0 HB3 ASP A 67 13.511 13.519 -4.445 1.00 0.00 H new ATOM 1019 N GLU A 68 13.602 13.456 -0.668 1.00 0.00 N ATOM 1020 CA GLU A 68 13.951 14.552 0.228 1.00 0.00 C ATOM 1021 C GLU A 68 15.092 15.392 -0.341 1.00 0.00 C ATOM 1022 O GLU A 68 15.315 16.524 0.090 1.00 0.00 O ATOM 1023 CB GLU A 68 14.342 14.009 1.604 1.00 0.00 C ATOM 1024 CG GLU A 68 15.482 13.006 1.560 1.00 0.00 C ATOM 1025 CD GLU A 68 15.279 11.848 2.517 1.00 0.00 C ATOM 1026 OE1 GLU A 68 14.460 10.958 2.205 1.00 0.00 O ATOM 1027 OE2 GLU A 68 15.936 11.832 3.578 1.00 0.00 O ATOM 0 H GLU A 68 13.749 12.527 -0.273 1.00 0.00 H new ATOM 0 HA GLU A 68 13.074 15.191 0.329 1.00 0.00 H new ATOM 0 HB2 GLU A 68 14.627 14.842 2.247 1.00 0.00 H new ATOM 0 HB3 GLU A 68 13.472 13.537 2.060 1.00 0.00 H new ATOM 0 HG2 GLU A 68 15.582 12.620 0.545 1.00 0.00 H new ATOM 0 HG3 GLU A 68 16.416 13.513 1.802 1.00 0.00 H new ATOM 1034 N SER A 69 15.813 14.834 -1.310 1.00 0.00 N ATOM 1035 CA SER A 69 16.930 15.536 -1.933 1.00 0.00 C ATOM 1036 C SER A 69 16.480 16.866 -2.530 1.00 0.00 C ATOM 1037 O SER A 69 17.287 17.778 -2.716 1.00 0.00 O ATOM 1038 CB SER A 69 17.564 14.665 -3.020 1.00 0.00 C ATOM 1039 OG SER A 69 17.655 13.315 -2.603 1.00 0.00 O ATOM 0 H SER A 69 15.643 13.899 -1.680 1.00 0.00 H new ATOM 0 HA SER A 69 17.671 15.741 -1.160 1.00 0.00 H new ATOM 0 HB2 SER A 69 16.971 14.728 -3.932 1.00 0.00 H new ATOM 0 HB3 SER A 69 18.558 15.043 -3.259 1.00 0.00 H new ATOM 0 HG SER A 69 18.062 12.779 -3.316 1.00 0.00 H new ATOM 1045 N LYS A 70 15.190 16.971 -2.823 1.00 0.00 N ATOM 1046 CA LYS A 70 14.633 18.191 -3.394 1.00 0.00 C ATOM 1047 C LYS A 70 14.783 19.359 -2.426 1.00 0.00 C ATOM 1048 O LYS A 70 15.504 20.319 -2.702 1.00 0.00 O ATOM 1049 CB LYS A 70 13.158 17.989 -3.745 1.00 0.00 C ATOM 1050 CG LYS A 70 12.933 17.012 -4.887 1.00 0.00 C ATOM 1051 CD LYS A 70 13.026 17.704 -6.238 1.00 0.00 C ATOM 1052 CE LYS A 70 12.216 16.972 -7.296 1.00 0.00 C ATOM 1053 NZ LYS A 70 13.049 16.003 -8.061 1.00 0.00 N ATOM 0 H LYS A 70 14.509 16.226 -2.675 1.00 0.00 H new ATOM 0 HA LYS A 70 15.186 18.423 -4.305 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.629 17.631 -2.862 1.00 0.00 H new ATOM 0 HB3 LYS A 70 12.721 18.952 -4.010 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.672 16.213 -4.835 1.00 0.00 H new ATOM 0 HG3 LYS A 70 11.953 16.547 -4.782 1.00 0.00 H new ATOM 0 HD2 LYS A 70 12.667 18.729 -6.148 1.00 0.00 H new ATOM 0 HD3 LYS A 70 14.069 17.758 -6.549 1.00 0.00 H new ATOM 0 HE2 LYS A 70 11.390 16.444 -6.820 1.00 0.00 H new ATOM 0 HE3 LYS A 70 11.778 17.696 -7.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 12.460 15.525 -8.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 13.823 16.510 -8.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 13.447 15.297 -7.409 1.00 0.00 H new ATOM 1067 N LYS A 71 14.098 19.271 -1.291 1.00 0.00 N ATOM 1068 CA LYS A 71 14.156 20.319 -0.279 1.00 0.00 C ATOM 1069 C LYS A 71 13.711 21.658 -0.858 1.00 0.00 C ATOM 1070 O LYS A 71 14.518 22.406 -1.411 1.00 0.00 O ATOM 1071 CB LYS A 71 15.574 20.439 0.283 1.00 0.00 C ATOM 1072 CG LYS A 71 16.080 19.161 0.932 1.00 0.00 C ATOM 1073 CD LYS A 71 17.089 19.455 2.030 1.00 0.00 C ATOM 1074 CE LYS A 71 17.107 18.357 3.080 1.00 0.00 C ATOM 1075 NZ LYS A 71 18.214 17.388 2.851 1.00 0.00 N ATOM 0 H LYS A 71 13.496 18.484 -1.049 1.00 0.00 H new ATOM 0 HA LYS A 71 13.476 20.048 0.528 1.00 0.00 H new ATOM 0 HB2 LYS A 71 16.252 20.721 -0.522 1.00 0.00 H new ATOM 0 HB3 LYS A 71 15.598 21.244 1.017 1.00 0.00 H new ATOM 0 HG2 LYS A 71 15.239 18.606 1.348 1.00 0.00 H new ATOM 0 HG3 LYS A 71 16.539 18.525 0.175 1.00 0.00 H new ATOM 0 HD2 LYS A 71 18.083 19.559 1.594 1.00 0.00 H new ATOM 0 HD3 LYS A 71 16.847 20.407 2.502 1.00 0.00 H new ATOM 0 HE2 LYS A 71 17.213 18.802 4.069 1.00 0.00 H new ATOM 0 HE3 LYS A 71 16.154 17.828 3.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 18.192 16.655 3.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 18.099 16.944 1.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 19.126 17.887 2.887 1.00 0.00 H new ATOM 1089 N ARG A 72 12.422 21.954 -0.727 1.00 0.00 N ATOM 1090 CA ARG A 72 11.870 23.202 -1.237 1.00 0.00 C ATOM 1091 C ARG A 72 11.471 24.127 -0.093 1.00 0.00 C ATOM 1092 O ARG A 72 11.403 23.709 1.062 1.00 0.00 O ATOM 1093 CB ARG A 72 10.658 22.921 -2.128 1.00 0.00 C ATOM 1094 CG ARG A 72 11.010 22.759 -3.599 1.00 0.00 C ATOM 1095 CD ARG A 72 10.095 23.586 -4.488 1.00 0.00 C ATOM 1096 NE ARG A 72 8.938 22.820 -4.947 1.00 0.00 N ATOM 1097 CZ ARG A 72 7.865 23.366 -5.513 1.00 0.00 C ATOM 1098 NH1 ARG A 72 7.796 24.679 -5.692 1.00 0.00 N ATOM 1099 NH2 ARG A 72 6.857 22.597 -5.903 1.00 0.00 N ATOM 0 H ARG A 72 11.741 21.346 -0.272 1.00 0.00 H new ATOM 0 HA ARG A 72 12.640 23.697 -1.829 1.00 0.00 H new ATOM 0 HB2 ARG A 72 10.163 22.015 -1.779 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.942 23.736 -2.022 1.00 0.00 H new ATOM 0 HG2 ARG A 72 12.045 23.060 -3.761 1.00 0.00 H new ATOM 0 HG3 ARG A 72 10.936 21.708 -3.878 1.00 0.00 H new ATOM 0 HD2 ARG A 72 9.754 24.464 -3.940 1.00 0.00 H new ATOM 0 HD3 ARG A 72 10.656 23.946 -5.350 1.00 0.00 H new ATOM 0 HE ARG A 72 8.954 21.807 -4.826 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.568 25.275 -5.395 1.00 0.00 H new ATOM 0 HH12 ARG A 72 6.971 25.092 -6.127 1.00 0.00 H new ATOM 0 HH21 ARG A 72 6.905 21.587 -5.769 1.00 0.00 H new ATOM 0 HH22 ARG A 72 6.034 23.016 -6.337 1.00 0.00 H new ATOM 1113 N LYS A 73 11.208 25.388 -0.422 1.00 0.00 N ATOM 1114 CA LYS A 73 10.814 26.373 0.579 1.00 0.00 C ATOM 1115 C LYS A 73 9.617 27.185 0.098 1.00 0.00 C ATOM 1116 O LYS A 73 8.976 26.837 -0.894 1.00 0.00 O ATOM 1117 CB LYS A 73 11.985 27.305 0.897 1.00 0.00 C ATOM 1118 CG LYS A 73 13.313 26.583 1.054 1.00 0.00 C ATOM 1119 CD LYS A 73 14.066 27.061 2.285 1.00 0.00 C ATOM 1120 CE LYS A 73 15.402 26.351 2.432 1.00 0.00 C ATOM 1121 NZ LYS A 73 16.151 26.304 1.146 1.00 0.00 N ATOM 0 H LYS A 73 11.261 25.752 -1.374 1.00 0.00 H new ATOM 0 HA LYS A 73 10.528 25.840 1.486 1.00 0.00 H new ATOM 0 HB2 LYS A 73 12.075 28.045 0.102 1.00 0.00 H new ATOM 0 HB3 LYS A 73 11.766 27.849 1.816 1.00 0.00 H new ATOM 0 HG2 LYS A 73 13.138 25.510 1.127 1.00 0.00 H new ATOM 0 HG3 LYS A 73 13.924 26.746 0.166 1.00 0.00 H new ATOM 0 HD2 LYS A 73 14.230 28.136 2.218 1.00 0.00 H new ATOM 0 HD3 LYS A 73 13.460 26.886 3.174 1.00 0.00 H new ATOM 0 HE2 LYS A 73 16.004 26.862 3.184 1.00 0.00 H new ATOM 0 HE3 LYS A 73 15.236 25.336 2.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 17.172 26.269 1.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 15.871 25.457 0.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 15.934 27.153 0.587 1.00 0.00 H new ATOM 1135 N ASP A 74 9.319 28.269 0.805 1.00 0.00 N ATOM 1136 CA ASP A 74 8.199 29.130 0.450 1.00 0.00 C ATOM 1137 C ASP A 74 8.591 30.601 0.550 1.00 0.00 C ATOM 1138 O ASP A 74 9.743 30.929 0.833 1.00 0.00 O ATOM 1139 CB ASP A 74 7.002 28.843 1.357 1.00 0.00 C ATOM 1140 CG ASP A 74 5.679 28.962 0.624 1.00 0.00 C ATOM 1141 OD1 ASP A 74 5.309 28.006 -0.090 1.00 0.00 O ATOM 1142 OD2 ASP A 74 5.014 30.010 0.765 1.00 0.00 O ATOM 0 H ASP A 74 9.839 28.572 1.629 1.00 0.00 H new ATOM 0 HA ASP A 74 7.921 28.918 -0.582 1.00 0.00 H new ATOM 0 HB2 ASP A 74 7.096 27.839 1.771 1.00 0.00 H new ATOM 0 HB3 ASP A 74 7.012 29.537 2.198 1.00 0.00 H new ATOM 1147 N ASN A 75 7.625 31.484 0.314 1.00 0.00 N ATOM 1148 CA ASN A 75 7.870 32.920 0.377 1.00 0.00 C ATOM 1149 C ASN A 75 8.370 33.338 1.758 1.00 0.00 C ATOM 1150 O ASN A 75 8.982 34.394 1.913 1.00 0.00 O ATOM 1151 CB ASN A 75 6.594 33.692 0.030 1.00 0.00 C ATOM 1152 CG ASN A 75 5.931 33.173 -1.230 1.00 0.00 C ATOM 1153 OD1 ASN A 75 6.300 33.552 -2.342 1.00 0.00 O ATOM 1154 ND2 ASN A 75 4.943 32.301 -1.063 1.00 0.00 N ATOM 0 H ASN A 75 6.666 31.230 0.078 1.00 0.00 H new ATOM 0 HA ASN A 75 8.644 33.158 -0.352 1.00 0.00 H new ATOM 0 HB2 ASN A 75 5.893 33.623 0.862 1.00 0.00 H new ATOM 0 HB3 ASN A 75 6.834 34.748 -0.097 1.00 0.00 H new ATOM 0 HD21 ASN A 75 4.458 31.918 -1.875 1.00 0.00 H new ATOM 0 HD22 ASN A 75 4.669 32.014 -0.123 1.00 0.00 H new ATOM 1161 N GLU A 76 8.104 32.504 2.757 1.00 0.00 N ATOM 1162 CA GLU A 76 8.527 32.791 4.123 1.00 0.00 C ATOM 1163 C GLU A 76 9.708 31.913 4.526 1.00 0.00 C ATOM 1164 O GLU A 76 9.882 31.592 5.702 1.00 0.00 O ATOM 1165 CB GLU A 76 7.364 32.576 5.094 1.00 0.00 C ATOM 1166 CG GLU A 76 6.354 33.712 5.094 1.00 0.00 C ATOM 1167 CD GLU A 76 6.930 35.004 5.637 1.00 0.00 C ATOM 1168 OE1 GLU A 76 7.000 35.149 6.876 1.00 0.00 O ATOM 1169 OE2 GLU A 76 7.312 35.872 4.824 1.00 0.00 O ATOM 0 H GLU A 76 7.598 31.625 2.647 1.00 0.00 H new ATOM 0 HA GLU A 76 8.842 33.834 4.166 1.00 0.00 H new ATOM 0 HB2 GLU A 76 6.854 31.647 4.837 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.761 32.454 6.102 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.998 33.876 4.077 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.489 33.424 5.692 1.00 0.00 H new ATOM 1176 N GLY A 77 10.517 31.526 3.544 1.00 0.00 N ATOM 1177 CA GLY A 77 11.671 30.688 3.819 1.00 0.00 C ATOM 1178 C GLY A 77 11.304 29.419 4.565 1.00 0.00 C ATOM 1179 O GLY A 77 12.128 28.851 5.281 1.00 0.00 O ATOM 0 H GLY A 77 10.394 31.778 2.563 1.00 0.00 H new ATOM 0 HA2 GLY A 77 12.157 30.425 2.879 1.00 0.00 H new ATOM 0 HA3 GLY A 77 12.395 31.254 4.405 1.00 0.00 H new ATOM 1183 N ASN A 78 10.061 28.976 4.397 1.00 0.00 N ATOM 1184 CA ASN A 78 9.583 27.769 5.060 1.00 0.00 C ATOM 1185 C ASN A 78 10.318 26.534 4.541 1.00 0.00 C ATOM 1186 O ASN A 78 11.368 26.647 3.910 1.00 0.00 O ATOM 1187 CB ASN A 78 8.075 27.615 4.847 1.00 0.00 C ATOM 1188 CG ASN A 78 7.317 28.897 5.139 1.00 0.00 C ATOM 1189 OD1 ASN A 78 7.672 29.648 6.048 1.00 0.00 O ATOM 1190 ND2 ASN A 78 6.268 29.153 4.367 1.00 0.00 N ATOM 0 H ASN A 78 9.367 29.436 3.807 1.00 0.00 H new ATOM 0 HA ASN A 78 9.784 27.861 6.127 1.00 0.00 H new ATOM 0 HB2 ASN A 78 7.885 27.310 3.818 1.00 0.00 H new ATOM 0 HB3 ASN A 78 7.699 26.819 5.490 1.00 0.00 H new ATOM 0 HD21 ASN A 78 5.720 30.000 4.516 1.00 0.00 H new ATOM 0 HD22 ASN A 78 6.010 28.502 3.625 1.00 0.00 H new ATOM 1197 N GLU A 79 9.760 25.358 4.813 1.00 0.00 N ATOM 1198 CA GLU A 79 10.360 24.106 4.374 1.00 0.00 C ATOM 1199 C GLU A 79 9.295 23.160 3.833 1.00 0.00 C ATOM 1200 O GLU A 79 8.394 22.741 4.560 1.00 0.00 O ATOM 1201 CB GLU A 79 11.110 23.441 5.531 1.00 0.00 C ATOM 1202 CG GLU A 79 12.514 23.985 5.738 1.00 0.00 C ATOM 1203 CD GLU A 79 13.518 22.896 6.064 1.00 0.00 C ATOM 1204 OE1 GLU A 79 13.657 22.555 7.257 1.00 0.00 O ATOM 1205 OE2 GLU A 79 14.165 22.384 5.125 1.00 0.00 O ATOM 0 H GLU A 79 8.892 25.248 5.336 1.00 0.00 H new ATOM 0 HA GLU A 79 11.067 24.328 3.575 1.00 0.00 H new ATOM 0 HB2 GLU A 79 10.538 23.576 6.449 1.00 0.00 H new ATOM 0 HB3 GLU A 79 11.168 22.368 5.346 1.00 0.00 H new ATOM 0 HG2 GLU A 79 12.833 24.510 4.838 1.00 0.00 H new ATOM 0 HG3 GLU A 79 12.501 24.716 6.546 1.00 0.00 H new ATOM 1212 N VAL A 80 9.398 22.834 2.550 1.00 0.00 N ATOM 1213 CA VAL A 80 8.442 21.946 1.908 1.00 0.00 C ATOM 1214 C VAL A 80 8.832 20.484 2.079 1.00 0.00 C ATOM 1215 O VAL A 80 8.087 19.699 2.664 1.00 0.00 O ATOM 1216 CB VAL A 80 8.316 22.264 0.416 1.00 0.00 C ATOM 1217 CG1 VAL A 80 7.381 21.282 -0.276 1.00 0.00 C ATOM 1218 CG2 VAL A 80 7.853 23.699 0.220 1.00 0.00 C ATOM 0 H VAL A 80 10.137 23.173 1.934 1.00 0.00 H new ATOM 0 HA VAL A 80 7.481 22.110 2.395 1.00 0.00 H new ATOM 0 HB VAL A 80 9.299 22.157 -0.044 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.310 21.532 -1.335 1.00 0.00 H new ATOM 0 HG12 VAL A 80 7.771 20.270 -0.167 1.00 0.00 H new ATOM 0 HG13 VAL A 80 6.392 21.340 0.178 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.768 23.911 -0.846 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.882 23.836 0.696 1.00 0.00 H new ATOM 0 HG23 VAL A 80 8.577 24.379 0.669 1.00 0.00 H new ATOM 1228 N VAL A 81 10.008 20.131 1.565 1.00 0.00 N ATOM 1229 CA VAL A 81 10.519 18.772 1.651 1.00 0.00 C ATOM 1230 C VAL A 81 9.418 17.746 1.340 1.00 0.00 C ATOM 1231 O VAL A 81 8.592 17.420 2.194 1.00 0.00 O ATOM 1232 CB VAL A 81 11.148 18.540 3.043 1.00 0.00 C ATOM 1233 CG1 VAL A 81 10.722 17.218 3.675 1.00 0.00 C ATOM 1234 CG2 VAL A 81 12.664 18.623 2.956 1.00 0.00 C ATOM 0 H VAL A 81 10.629 20.779 1.080 1.00 0.00 H new ATOM 0 HA VAL A 81 11.296 18.635 0.899 1.00 0.00 H new ATOM 0 HB VAL A 81 10.776 19.332 3.694 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.196 17.112 4.651 1.00 0.00 H new ATOM 0 HG12 VAL A 81 9.639 17.204 3.794 1.00 0.00 H new ATOM 0 HG13 VAL A 81 11.027 16.392 3.032 1.00 0.00 H new ATOM 0 HG21 VAL A 81 13.095 18.458 3.944 1.00 0.00 H new ATOM 0 HG22 VAL A 81 13.031 17.862 2.268 1.00 0.00 H new ATOM 0 HG23 VAL A 81 12.954 19.609 2.594 1.00 0.00 H new ATOM 1244 N PRO A 82 9.386 17.234 0.096 1.00 0.00 N ATOM 1245 CA PRO A 82 8.380 16.259 -0.330 1.00 0.00 C ATOM 1246 C PRO A 82 8.163 15.151 0.695 1.00 0.00 C ATOM 1247 O PRO A 82 9.079 14.781 1.429 1.00 0.00 O ATOM 1248 CB PRO A 82 8.975 15.691 -1.617 1.00 0.00 C ATOM 1249 CG PRO A 82 9.786 16.808 -2.177 1.00 0.00 C ATOM 1250 CD PRO A 82 10.321 17.574 -0.995 1.00 0.00 C ATOM 0 HA PRO A 82 7.398 16.714 -0.457 1.00 0.00 H new ATOM 0 HB2 PRO A 82 9.591 14.815 -1.416 1.00 0.00 H new ATOM 0 HB3 PRO A 82 8.195 15.380 -2.312 1.00 0.00 H new ATOM 0 HG2 PRO A 82 10.600 16.427 -2.794 1.00 0.00 H new ATOM 0 HG3 PRO A 82 9.177 17.450 -2.813 1.00 0.00 H new ATOM 0 HD2 PRO A 82 11.342 17.277 -0.754 1.00 0.00 H new ATOM 0 HD3 PRO A 82 10.338 18.647 -1.188 1.00 0.00 H new ATOM 1258 N LYS A 83 6.943 14.626 0.737 1.00 0.00 N ATOM 1259 CA LYS A 83 6.598 13.559 1.670 1.00 0.00 C ATOM 1260 C LYS A 83 6.493 12.219 0.951 1.00 0.00 C ATOM 1261 O LYS A 83 6.378 12.163 -0.273 1.00 0.00 O ATOM 1262 CB LYS A 83 5.282 13.877 2.382 1.00 0.00 C ATOM 1263 CG LYS A 83 5.339 15.138 3.228 1.00 0.00 C ATOM 1264 CD LYS A 83 4.508 14.997 4.494 1.00 0.00 C ATOM 1265 CE LYS A 83 5.375 14.642 5.692 1.00 0.00 C ATOM 1266 NZ LYS A 83 4.584 14.004 6.780 1.00 0.00 N ATOM 0 H LYS A 83 6.175 14.923 0.135 1.00 0.00 H new ATOM 0 HA LYS A 83 7.394 13.490 2.412 1.00 0.00 H new ATOM 0 HB2 LYS A 83 4.492 13.984 1.638 1.00 0.00 H new ATOM 0 HB3 LYS A 83 5.009 13.035 3.018 1.00 0.00 H new ATOM 0 HG2 LYS A 83 6.374 15.353 3.493 1.00 0.00 H new ATOM 0 HG3 LYS A 83 4.976 15.985 2.646 1.00 0.00 H new ATOM 0 HD2 LYS A 83 3.979 15.930 4.690 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.751 14.226 4.350 1.00 0.00 H new ATOM 0 HE2 LYS A 83 6.170 13.966 5.377 1.00 0.00 H new ATOM 0 HE3 LYS A 83 5.855 15.544 6.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 5.211 13.777 7.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 3.841 14.658 7.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 4.147 13.130 6.425 1.00 0.00 H new ATOM 1280 N PRO A 84 6.549 11.119 1.715 1.00 0.00 N ATOM 1281 CA PRO A 84 6.482 9.760 1.182 1.00 0.00 C ATOM 1282 C PRO A 84 5.047 9.312 0.919 1.00 0.00 C ATOM 1283 O PRO A 84 4.266 9.119 1.850 1.00 0.00 O ATOM 1284 CB PRO A 84 7.121 8.912 2.300 1.00 0.00 C ATOM 1285 CG PRO A 84 7.569 9.892 3.345 1.00 0.00 C ATOM 1286 CD PRO A 84 6.706 11.096 3.167 1.00 0.00 C ATOM 0 HA PRO A 84 6.986 9.669 0.220 1.00 0.00 H new ATOM 0 HB2 PRO A 84 6.404 8.201 2.711 1.00 0.00 H new ATOM 0 HB3 PRO A 84 7.962 8.332 1.920 1.00 0.00 H new ATOM 0 HG2 PRO A 84 7.458 9.475 4.346 1.00 0.00 H new ATOM 0 HG3 PRO A 84 8.622 10.143 3.220 1.00 0.00 H new ATOM 0 HD2 PRO A 84 5.751 10.998 3.683 1.00 0.00 H new ATOM 0 HD3 PRO A 84 7.180 12.002 3.544 1.00 0.00 H new ATOM 1294 N GLN A 85 4.709 9.150 -0.356 1.00 0.00 N ATOM 1295 CA GLN A 85 3.368 8.726 -0.744 1.00 0.00 C ATOM 1296 C GLN A 85 3.141 7.256 -0.402 1.00 0.00 C ATOM 1297 O GLN A 85 4.048 6.433 -0.520 1.00 0.00 O ATOM 1298 CB GLN A 85 3.152 8.953 -2.240 1.00 0.00 C ATOM 1299 CG GLN A 85 2.606 10.331 -2.573 1.00 0.00 C ATOM 1300 CD GLN A 85 1.093 10.392 -2.504 1.00 0.00 C ATOM 1301 OE1 GLN A 85 0.407 10.217 -3.511 1.00 0.00 O ATOM 1302 NE2 GLN A 85 0.565 10.642 -1.312 1.00 0.00 N ATOM 0 H GLN A 85 5.345 9.306 -1.138 1.00 0.00 H new ATOM 0 HA GLN A 85 2.649 9.325 -0.185 1.00 0.00 H new ATOM 0 HB2 GLN A 85 4.099 8.811 -2.761 1.00 0.00 H new ATOM 0 HB3 GLN A 85 2.463 8.197 -2.618 1.00 0.00 H new ATOM 0 HG2 GLN A 85 3.027 11.061 -1.882 1.00 0.00 H new ATOM 0 HG3 GLN A 85 2.932 10.615 -3.574 1.00 0.00 H new ATOM 0 HE21 GLN A 85 1.172 10.781 -0.504 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -0.448 10.696 -1.204 1.00 0.00 H new ATOM 1311 N ARG A 86 1.922 6.936 0.020 1.00 0.00 N ATOM 1312 CA ARG A 86 1.570 5.567 0.379 1.00 0.00 C ATOM 1313 C ARG A 86 0.262 5.157 -0.289 1.00 0.00 C ATOM 1314 O ARG A 86 -0.645 5.974 -0.446 1.00 0.00 O ATOM 1315 CB ARG A 86 1.436 5.433 1.898 1.00 0.00 C ATOM 1316 CG ARG A 86 2.548 6.122 2.675 1.00 0.00 C ATOM 1317 CD ARG A 86 2.035 6.701 3.983 1.00 0.00 C ATOM 1318 NE ARG A 86 3.069 7.449 4.693 1.00 0.00 N ATOM 1319 CZ ARG A 86 3.012 7.747 5.990 1.00 0.00 C ATOM 1320 NH1 ARG A 86 1.972 7.362 6.721 1.00 0.00 N ATOM 1321 NH2 ARG A 86 3.995 8.431 6.557 1.00 0.00 N ATOM 0 H ARG A 86 1.161 7.607 0.122 1.00 0.00 H new ATOM 0 HA ARG A 86 2.366 4.909 0.031 1.00 0.00 H new ATOM 0 HB2 ARG A 86 0.477 5.850 2.207 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.423 4.375 2.161 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.347 5.409 2.880 1.00 0.00 H new ATOM 0 HG3 ARG A 86 2.979 6.918 2.068 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.187 7.356 3.782 1.00 0.00 H new ATOM 0 HD3 ARG A 86 1.670 5.894 4.618 1.00 0.00 H new ATOM 0 HE ARG A 86 3.883 7.762 4.164 1.00 0.00 H new ATOM 0 HH11 ARG A 86 1.212 6.836 6.290 1.00 0.00 H new ATOM 0 HH12 ARG A 86 1.933 7.593 7.714 1.00 0.00 H new ATOM 0 HH21 ARG A 86 4.796 8.730 6.000 1.00 0.00 H new ATOM 0 HH22 ARG A 86 3.951 8.659 7.550 1.00 0.00 H new ATOM 1335 N HIS A 87 0.163 3.889 -0.676 1.00 0.00 N ATOM 1336 CA HIS A 87 -1.044 3.389 -1.319 1.00 0.00 C ATOM 1337 C HIS A 87 -1.940 2.704 -0.296 1.00 0.00 C ATOM 1338 O HIS A 87 -1.598 1.649 0.234 1.00 0.00 O ATOM 1339 CB HIS A 87 -0.677 2.422 -2.444 1.00 0.00 C ATOM 1340 CG HIS A 87 0.460 2.909 -3.288 1.00 0.00 C ATOM 1341 ND1 HIS A 87 0.289 3.723 -4.389 1.00 0.00 N ATOM 1342 CD2 HIS A 87 1.793 2.705 -3.177 1.00 0.00 C ATOM 1343 CE1 HIS A 87 1.468 3.997 -4.918 1.00 0.00 C ATOM 1344 NE2 HIS A 87 2.398 3.393 -4.200 1.00 0.00 N ATOM 0 H HIS A 87 0.900 3.194 -0.556 1.00 0.00 H new ATOM 0 HA HIS A 87 -1.590 4.229 -1.748 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -0.414 1.456 -2.013 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -1.550 2.262 -3.077 1.00 0.00 H new ATOM 0 HD2 HIS A 87 2.289 2.111 -2.424 1.00 0.00 H new ATOM 0 HE1 HIS A 87 1.642 4.611 -5.790 1.00 0.00 H new ATOM 0 HE2 HIS A 87 3.402 3.431 -4.377 1.00 0.00 H new ATOM 1353 N MET A 88 -3.083 3.320 -0.012 1.00 0.00 N ATOM 1354 CA MET A 88 -4.020 2.776 0.963 1.00 0.00 C ATOM 1355 C MET A 88 -5.088 1.925 0.290 1.00 0.00 C ATOM 1356 O MET A 88 -5.769 2.374 -0.632 1.00 0.00 O ATOM 1357 CB MET A 88 -4.679 3.910 1.751 1.00 0.00 C ATOM 1358 CG MET A 88 -3.930 4.283 3.021 1.00 0.00 C ATOM 1359 SD MET A 88 -4.958 5.189 4.192 1.00 0.00 S ATOM 1360 CE MET A 88 -4.990 4.045 5.570 1.00 0.00 C ATOM 0 H MET A 88 -3.382 4.195 -0.443 1.00 0.00 H new ATOM 0 HA MET A 88 -3.459 2.139 1.647 1.00 0.00 H new ATOM 0 HB2 MET A 88 -4.754 4.790 1.112 1.00 0.00 H new ATOM 0 HB3 MET A 88 -5.696 3.617 2.011 1.00 0.00 H new ATOM 0 HG2 MET A 88 -3.556 3.377 3.497 1.00 0.00 H new ATOM 0 HG3 MET A 88 -3.062 4.888 2.762 1.00 0.00 H new ATOM 0 HE1 MET A 88 -5.951 4.116 6.080 1.00 0.00 H new ATOM 0 HE2 MET A 88 -4.849 3.029 5.202 1.00 0.00 H new ATOM 0 HE3 MET A 88 -4.190 4.293 6.268 1.00 0.00 H new ATOM 1370 N PHE A 89 -5.231 0.694 0.767 1.00 0.00 N ATOM 1371 CA PHE A 89 -6.221 -0.227 0.225 1.00 0.00 C ATOM 1372 C PHE A 89 -7.041 -0.851 1.348 1.00 0.00 C ATOM 1373 O PHE A 89 -6.507 -1.570 2.192 1.00 0.00 O ATOM 1374 CB PHE A 89 -5.536 -1.326 -0.590 1.00 0.00 C ATOM 1375 CG PHE A 89 -4.695 -0.807 -1.723 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -5.271 -0.500 -2.946 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -3.329 -0.634 -1.568 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -4.498 -0.032 -3.992 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -2.554 -0.163 -2.610 1.00 0.00 C ATOM 1380 CZ PHE A 89 -3.138 0.138 -3.823 1.00 0.00 C ATOM 0 H PHE A 89 -4.672 0.311 1.530 1.00 0.00 H new ATOM 0 HA PHE A 89 -6.889 0.335 -0.428 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.908 -1.920 0.074 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.297 -1.995 -0.992 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -6.335 -0.628 -3.083 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.865 -0.870 -0.622 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.958 0.201 -4.941 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -1.491 -0.030 -2.475 1.00 0.00 H new ATOM 0 HZ PHE A 89 -2.533 0.506 -4.639 1.00 0.00 H new ATOM 1390 N SER A 90 -8.340 -0.575 1.356 1.00 0.00 N ATOM 1391 CA SER A 90 -9.226 -1.117 2.379 1.00 0.00 C ATOM 1392 C SER A 90 -9.954 -2.349 1.861 1.00 0.00 C ATOM 1393 O SER A 90 -10.759 -2.263 0.934 1.00 0.00 O ATOM 1394 CB SER A 90 -10.241 -0.063 2.822 1.00 0.00 C ATOM 1395 OG SER A 90 -9.778 1.245 2.538 1.00 0.00 O ATOM 0 H SER A 90 -8.802 0.019 0.668 1.00 0.00 H new ATOM 0 HA SER A 90 -8.617 -1.404 3.236 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.191 -0.233 2.315 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.428 -0.161 3.891 1.00 0.00 H new ATOM 0 HG SER A 90 -10.447 1.899 2.830 1.00 0.00 H new ATOM 1401 N PHE A 91 -9.661 -3.496 2.459 1.00 0.00 N ATOM 1402 CA PHE A 91 -10.286 -4.747 2.048 1.00 0.00 C ATOM 1403 C PHE A 91 -11.515 -5.064 2.894 1.00 0.00 C ATOM 1404 O PHE A 91 -11.519 -4.861 4.108 1.00 0.00 O ATOM 1405 CB PHE A 91 -9.277 -5.889 2.138 1.00 0.00 C ATOM 1406 CG PHE A 91 -8.262 -5.858 1.035 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -7.230 -4.936 1.052 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -8.348 -6.745 -0.023 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -6.298 -4.902 0.033 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -7.421 -6.716 -1.045 1.00 0.00 C ATOM 1411 CZ PHE A 91 -6.392 -5.795 -1.017 1.00 0.00 C ATOM 0 H PHE A 91 -8.997 -3.587 3.228 1.00 0.00 H new ATOM 0 HA PHE A 91 -10.614 -4.634 1.015 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -8.764 -5.839 3.099 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -9.809 -6.840 2.109 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -7.153 -4.236 1.871 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -9.150 -7.468 -0.050 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -5.497 -4.178 0.057 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -7.500 -7.413 -1.866 1.00 0.00 H new ATOM 0 HZ PHE A 91 -5.663 -5.773 -1.814 1.00 0.00 H new ATOM 1421 N ASN A 92 -12.556 -5.563 2.237 1.00 0.00 N ATOM 1422 CA ASN A 92 -13.800 -5.915 2.913 1.00 0.00 C ATOM 1423 C ASN A 92 -13.862 -7.415 3.182 1.00 0.00 C ATOM 1424 O ASN A 92 -14.938 -8.013 3.179 1.00 0.00 O ATOM 1425 CB ASN A 92 -14.999 -5.486 2.067 1.00 0.00 C ATOM 1426 CG ASN A 92 -15.486 -4.093 2.414 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -16.147 -3.891 3.433 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -15.160 -3.123 1.567 1.00 0.00 N ATOM 0 H ASN A 92 -12.563 -5.734 1.231 1.00 0.00 H new ATOM 0 HA ASN A 92 -13.832 -5.390 3.868 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -14.726 -5.520 1.012 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -15.813 -6.198 2.208 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -15.459 -2.165 1.749 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -14.611 -3.336 0.735 1.00 0.00 H new ATOM 1435 N ASN A 93 -12.699 -8.015 3.411 1.00 0.00 N ATOM 1436 CA ASN A 93 -12.614 -9.446 3.678 1.00 0.00 C ATOM 1437 C ASN A 93 -11.185 -9.847 4.015 1.00 0.00 C ATOM 1438 O ASN A 93 -10.293 -9.778 3.169 1.00 0.00 O ATOM 1439 CB ASN A 93 -13.111 -10.242 2.468 1.00 0.00 C ATOM 1440 CG ASN A 93 -14.456 -10.893 2.716 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -15.103 -10.644 3.734 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -14.886 -11.735 1.784 1.00 0.00 N ATOM 0 H ASN A 93 -11.801 -7.532 3.417 1.00 0.00 H new ATOM 0 HA ASN A 93 -13.248 -9.672 4.535 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -13.185 -9.579 1.606 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -12.380 -11.010 2.217 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -15.785 -12.204 1.896 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -14.318 -11.912 0.956 1.00 0.00 H new ATOM 1449 N ARG A 94 -10.974 -10.270 5.256 1.00 0.00 N ATOM 1450 CA ARG A 94 -9.653 -10.689 5.706 1.00 0.00 C ATOM 1451 C ARG A 94 -9.110 -11.804 4.823 1.00 0.00 C ATOM 1452 O ARG A 94 -7.906 -12.056 4.796 1.00 0.00 O ATOM 1453 CB ARG A 94 -9.707 -11.155 7.162 1.00 0.00 C ATOM 1454 CG ARG A 94 -8.346 -11.516 7.736 1.00 0.00 C ATOM 1455 CD ARG A 94 -8.159 -10.945 9.132 1.00 0.00 C ATOM 1456 NE ARG A 94 -8.930 -11.681 10.133 1.00 0.00 N ATOM 1457 CZ ARG A 94 -8.585 -12.878 10.601 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -7.486 -13.479 10.164 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -9.342 -13.477 11.511 1.00 0.00 N ATOM 0 H ARG A 94 -11.701 -10.332 5.968 1.00 0.00 H new ATOM 0 HA ARG A 94 -8.984 -9.832 5.634 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -10.152 -10.368 7.771 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -10.364 -12.022 7.233 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -8.240 -12.600 7.768 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -7.562 -11.139 7.080 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -7.102 -10.973 9.396 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -8.462 -9.898 9.139 1.00 0.00 H new ATOM 0 HE ARG A 94 -9.782 -11.252 10.494 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -6.899 -13.024 9.465 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -7.228 -14.396 10.527 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -10.188 -13.020 11.852 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -9.078 -14.395 11.870 1.00 0.00 H new ATOM 1473 N THR A 95 -10.000 -12.471 4.098 1.00 0.00 N ATOM 1474 CA THR A 95 -9.614 -13.545 3.220 1.00 0.00 C ATOM 1475 C THR A 95 -8.858 -13.009 2.012 1.00 0.00 C ATOM 1476 O THR A 95 -7.791 -13.511 1.662 1.00 0.00 O ATOM 1477 CB THR A 95 -10.860 -14.292 2.784 1.00 0.00 C ATOM 1478 OG1 THR A 95 -11.957 -13.977 3.625 1.00 0.00 O ATOM 1479 CG2 THR A 95 -10.692 -15.786 2.798 1.00 0.00 C ATOM 0 H THR A 95 -11.001 -12.277 4.109 1.00 0.00 H new ATOM 0 HA THR A 95 -8.947 -14.226 3.750 1.00 0.00 H new ATOM 0 HB THR A 95 -11.044 -13.971 1.759 1.00 0.00 H new ATOM 0 HG1 THR A 95 -12.750 -14.468 3.325 1.00 0.00 H new ATOM 0 HG21 THR A 95 -11.619 -16.259 2.476 1.00 0.00 H new ATOM 0 HG22 THR A 95 -9.886 -16.068 2.120 1.00 0.00 H new ATOM 0 HG23 THR A 95 -10.448 -16.115 3.808 1.00 0.00 H new ATOM 1487 N VAL A 96 -9.407 -11.972 1.390 1.00 0.00 N ATOM 1488 CA VAL A 96 -8.762 -11.358 0.234 1.00 0.00 C ATOM 1489 C VAL A 96 -7.472 -10.692 0.673 1.00 0.00 C ATOM 1490 O VAL A 96 -6.429 -10.847 0.037 1.00 0.00 O ATOM 1491 CB VAL A 96 -9.651 -10.305 -0.468 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -9.549 -10.439 -1.980 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -11.098 -10.410 -0.016 1.00 0.00 C ATOM 0 H VAL A 96 -10.290 -11.541 1.663 1.00 0.00 H new ATOM 0 HA VAL A 96 -8.572 -12.157 -0.483 1.00 0.00 H new ATOM 0 HB VAL A 96 -9.286 -9.319 -0.183 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -10.182 -9.689 -2.455 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -8.515 -10.290 -2.290 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -9.878 -11.434 -2.280 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -11.695 -9.656 -0.529 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -11.483 -11.401 -0.255 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -11.156 -10.248 1.060 1.00 0.00 H new ATOM 1503 N MET A 97 -7.549 -9.960 1.779 1.00 0.00 N ATOM 1504 CA MET A 97 -6.382 -9.283 2.317 1.00 0.00 C ATOM 1505 C MET A 97 -5.341 -10.311 2.743 1.00 0.00 C ATOM 1506 O MET A 97 -4.140 -10.104 2.564 1.00 0.00 O ATOM 1507 CB MET A 97 -6.778 -8.378 3.490 1.00 0.00 C ATOM 1508 CG MET A 97 -6.766 -9.065 4.847 1.00 0.00 C ATOM 1509 SD MET A 97 -5.190 -8.885 5.702 1.00 0.00 S ATOM 1510 CE MET A 97 -5.702 -7.898 7.102 1.00 0.00 C ATOM 0 H MET A 97 -8.405 -9.822 2.316 1.00 0.00 H new ATOM 0 HA MET A 97 -5.947 -8.651 1.543 1.00 0.00 H new ATOM 0 HB2 MET A 97 -6.098 -7.527 3.522 1.00 0.00 H new ATOM 0 HB3 MET A 97 -7.777 -7.982 3.306 1.00 0.00 H new ATOM 0 HG2 MET A 97 -7.561 -8.650 5.467 1.00 0.00 H new ATOM 0 HG3 MET A 97 -6.985 -10.125 4.715 1.00 0.00 H new ATOM 0 HE1 MET A 97 -5.077 -8.136 7.963 1.00 0.00 H new ATOM 0 HE2 MET A 97 -5.598 -6.841 6.859 1.00 0.00 H new ATOM 0 HE3 MET A 97 -6.744 -8.115 7.339 1.00 0.00 H new ATOM 1520 N ASP A 98 -5.810 -11.432 3.290 1.00 0.00 N ATOM 1521 CA ASP A 98 -4.914 -12.498 3.715 1.00 0.00 C ATOM 1522 C ASP A 98 -4.116 -13.009 2.527 1.00 0.00 C ATOM 1523 O ASP A 98 -2.976 -13.452 2.668 1.00 0.00 O ATOM 1524 CB ASP A 98 -5.702 -13.646 4.352 1.00 0.00 C ATOM 1525 CG ASP A 98 -5.839 -13.491 5.854 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -4.967 -12.838 6.466 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -6.819 -14.022 6.419 1.00 0.00 O ATOM 0 H ASP A 98 -6.800 -11.622 3.447 1.00 0.00 H new ATOM 0 HA ASP A 98 -4.228 -12.097 4.461 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -6.694 -13.695 3.903 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -5.205 -14.591 4.131 1.00 0.00 H new ATOM 1532 N ASN A 99 -4.725 -12.928 1.350 1.00 0.00 N ATOM 1533 CA ASN A 99 -4.080 -13.363 0.121 1.00 0.00 C ATOM 1534 C ASN A 99 -3.151 -12.273 -0.399 1.00 0.00 C ATOM 1535 O ASN A 99 -1.938 -12.462 -0.470 1.00 0.00 O ATOM 1536 CB ASN A 99 -5.128 -13.708 -0.939 1.00 0.00 C ATOM 1537 CG ASN A 99 -5.948 -14.928 -0.565 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -5.400 -15.979 -0.229 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -7.268 -14.794 -0.623 1.00 0.00 N ATOM 0 H ASN A 99 -5.669 -12.563 1.223 1.00 0.00 H new ATOM 0 HA ASN A 99 -3.493 -14.256 0.335 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -5.793 -12.856 -1.080 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -4.631 -13.886 -1.893 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -7.871 -15.581 -0.384 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -7.678 -13.904 -0.907 1.00 0.00 H new ATOM 1546 N ILE A 100 -3.730 -11.126 -0.751 1.00 0.00 N ATOM 1547 CA ILE A 100 -2.956 -9.993 -1.258 1.00 0.00 C ATOM 1548 C ILE A 100 -1.757 -9.707 -0.361 1.00 0.00 C ATOM 1549 O ILE A 100 -0.609 -9.758 -0.803 1.00 0.00 O ATOM 1550 CB ILE A 100 -3.819 -8.717 -1.350 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -5.024 -8.954 -2.264 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -2.985 -7.537 -1.843 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -4.701 -8.864 -3.737 1.00 0.00 C ATOM 0 H ILE A 100 -4.734 -10.956 -0.694 1.00 0.00 H new ATOM 0 HA ILE A 100 -2.612 -10.266 -2.256 1.00 0.00 H new ATOM 0 HB ILE A 100 -4.188 -8.475 -0.353 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -5.440 -9.939 -2.053 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -5.797 -8.224 -2.026 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -3.612 -6.647 -1.901 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -2.163 -7.357 -1.150 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -2.583 -7.763 -2.831 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -5.605 -9.043 -4.319 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -4.314 -7.871 -3.965 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -3.951 -9.613 -3.991 1.00 0.00 H new ATOM 1565 N LYS A 101 -2.037 -9.406 0.902 1.00 0.00 N ATOM 1566 CA LYS A 101 -0.989 -9.110 1.870 1.00 0.00 C ATOM 1567 C LYS A 101 0.107 -10.171 1.818 1.00 0.00 C ATOM 1568 O LYS A 101 1.277 -9.886 2.075 1.00 0.00 O ATOM 1569 CB LYS A 101 -1.578 -9.045 3.279 1.00 0.00 C ATOM 1570 CG LYS A 101 -0.611 -8.503 4.318 1.00 0.00 C ATOM 1571 CD LYS A 101 0.139 -9.624 5.019 1.00 0.00 C ATOM 1572 CE LYS A 101 -0.771 -10.406 5.952 1.00 0.00 C ATOM 1573 NZ LYS A 101 0.002 -11.251 6.903 1.00 0.00 N ATOM 0 H LYS A 101 -2.983 -9.361 1.280 1.00 0.00 H new ATOM 0 HA LYS A 101 -0.552 -8.144 1.618 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -2.469 -8.418 3.263 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -1.896 -10.044 3.577 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.101 -7.832 3.838 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.158 -7.914 5.054 1.00 0.00 H new ATOM 0 HD2 LYS A 101 0.565 -10.298 4.276 1.00 0.00 H new ATOM 0 HD3 LYS A 101 0.971 -9.207 5.586 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -1.400 -9.713 6.511 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -1.437 -11.038 5.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -0.655 -11.768 7.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 0.583 -11.930 6.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 0.619 -10.646 7.482 1.00 0.00 H new ATOM 1587 N MET A 102 -0.284 -11.396 1.476 1.00 0.00 N ATOM 1588 CA MET A 102 0.657 -12.502 1.382 1.00 0.00 C ATOM 1589 C MET A 102 1.348 -12.497 0.026 1.00 0.00 C ATOM 1590 O MET A 102 2.566 -12.648 -0.061 1.00 0.00 O ATOM 1591 CB MET A 102 -0.065 -13.835 1.596 1.00 0.00 C ATOM 1592 CG MET A 102 -0.133 -14.263 3.053 1.00 0.00 C ATOM 1593 SD MET A 102 -0.468 -16.023 3.245 1.00 0.00 S ATOM 1594 CE MET A 102 -1.862 -16.225 2.139 1.00 0.00 C ATOM 0 H MET A 102 -1.249 -11.645 1.259 1.00 0.00 H new ATOM 0 HA MET A 102 1.410 -12.380 2.161 1.00 0.00 H new ATOM 0 HB2 MET A 102 -1.078 -13.757 1.201 1.00 0.00 H new ATOM 0 HB3 MET A 102 0.443 -14.610 1.022 1.00 0.00 H new ATOM 0 HG2 MET A 102 0.810 -14.021 3.543 1.00 0.00 H new ATOM 0 HG3 MET A 102 -0.911 -13.692 3.559 1.00 0.00 H new ATOM 0 HE1 MET A 102 -2.186 -17.266 2.148 1.00 0.00 H new ATOM 0 HE2 MET A 102 -2.682 -15.587 2.467 1.00 0.00 H new ATOM 0 HE3 MET A 102 -1.567 -15.945 1.127 1.00 0.00 H new ATOM 1604 N THR A 103 0.563 -12.316 -1.032 1.00 0.00 N ATOM 1605 CA THR A 103 1.096 -12.285 -2.379 1.00 0.00 C ATOM 1606 C THR A 103 2.157 -11.204 -2.514 1.00 0.00 C ATOM 1607 O THR A 103 3.279 -11.471 -2.946 1.00 0.00 O ATOM 1608 CB THR A 103 -0.032 -12.043 -3.375 1.00 0.00 C ATOM 1609 OG1 THR A 103 -1.291 -12.302 -2.783 1.00 0.00 O ATOM 1610 CG2 THR A 103 0.072 -12.895 -4.610 1.00 0.00 C ATOM 0 H THR A 103 -0.447 -12.189 -0.976 1.00 0.00 H new ATOM 0 HA THR A 103 1.561 -13.247 -2.592 1.00 0.00 H new ATOM 0 HB THR A 103 0.061 -10.996 -3.664 1.00 0.00 H new ATOM 0 HG1 THR A 103 -1.888 -12.706 -3.447 1.00 0.00 H new ATOM 0 HG21 THR A 103 -0.761 -12.673 -5.277 1.00 0.00 H new ATOM 0 HG22 THR A 103 1.011 -12.683 -5.120 1.00 0.00 H new ATOM 0 HG23 THR A 103 0.041 -13.948 -4.329 1.00 0.00 H new ATOM 1618 N LEU A 104 1.801 -9.981 -2.128 1.00 0.00 N ATOM 1619 CA LEU A 104 2.735 -8.865 -2.195 1.00 0.00 C ATOM 1620 C LEU A 104 4.056 -9.253 -1.540 1.00 0.00 C ATOM 1621 O LEU A 104 5.122 -9.143 -2.143 1.00 0.00 O ATOM 1622 CB LEU A 104 2.161 -7.632 -1.492 1.00 0.00 C ATOM 1623 CG LEU A 104 0.751 -7.214 -1.913 1.00 0.00 C ATOM 1624 CD1 LEU A 104 0.053 -6.495 -0.768 1.00 0.00 C ATOM 1625 CD2 LEU A 104 0.799 -6.323 -3.144 1.00 0.00 C ATOM 0 H LEU A 104 0.877 -9.741 -1.768 1.00 0.00 H new ATOM 0 HA LEU A 104 2.903 -8.623 -3.245 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.157 -7.820 -0.418 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.834 -6.793 -1.666 1.00 0.00 H new ATOM 0 HG LEU A 104 0.186 -8.112 -2.162 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -0.950 -6.202 -1.080 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -0.014 -7.161 0.093 1.00 0.00 H new ATOM 0 HD13 LEU A 104 0.622 -5.606 -0.496 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -0.214 -6.037 -3.426 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.380 -5.428 -2.923 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.266 -6.864 -3.967 1.00 0.00 H new ATOM 1637 N GLN A 105 3.963 -9.721 -0.297 1.00 0.00 N ATOM 1638 CA GLN A 105 5.135 -10.143 0.459 1.00 0.00 C ATOM 1639 C GLN A 105 5.912 -11.220 -0.294 1.00 0.00 C ATOM 1640 O GLN A 105 7.133 -11.139 -0.424 1.00 0.00 O ATOM 1641 CB GLN A 105 4.719 -10.677 1.831 1.00 0.00 C ATOM 1642 CG GLN A 105 4.238 -9.601 2.788 1.00 0.00 C ATOM 1643 CD GLN A 105 5.381 -8.823 3.408 1.00 0.00 C ATOM 1644 OE1 GLN A 105 6.487 -9.340 3.562 1.00 0.00 O ATOM 1645 NE2 GLN A 105 5.117 -7.572 3.768 1.00 0.00 N ATOM 0 H GLN A 105 3.082 -9.817 0.208 1.00 0.00 H new ATOM 0 HA GLN A 105 5.780 -9.274 0.590 1.00 0.00 H new ATOM 0 HB2 GLN A 105 3.926 -11.413 1.699 1.00 0.00 H new ATOM 0 HB3 GLN A 105 5.565 -11.197 2.280 1.00 0.00 H new ATOM 0 HG2 GLN A 105 3.581 -8.913 2.256 1.00 0.00 H new ATOM 0 HG3 GLN A 105 3.645 -10.061 3.578 1.00 0.00 H new ATOM 0 HE21 GLN A 105 4.185 -7.185 3.621 1.00 0.00 H new ATOM 0 HE22 GLN A 105 5.846 -6.998 4.191 1.00 0.00 H new ATOM 1654 N GLN A 106 5.196 -12.230 -0.790 1.00 0.00 N ATOM 1655 CA GLN A 106 5.825 -13.322 -1.530 1.00 0.00 C ATOM 1656 C GLN A 106 6.743 -12.772 -2.615 1.00 0.00 C ATOM 1657 O GLN A 106 7.791 -13.344 -2.911 1.00 0.00 O ATOM 1658 CB GLN A 106 4.760 -14.227 -2.154 1.00 0.00 C ATOM 1659 CG GLN A 106 4.110 -15.175 -1.160 1.00 0.00 C ATOM 1660 CD GLN A 106 3.793 -16.527 -1.769 1.00 0.00 C ATOM 1661 OE1 GLN A 106 4.407 -17.536 -1.423 1.00 0.00 O ATOM 1662 NE2 GLN A 106 2.827 -16.554 -2.680 1.00 0.00 N ATOM 0 H GLN A 106 4.184 -12.314 -0.693 1.00 0.00 H new ATOM 0 HA GLN A 106 6.421 -13.910 -0.832 1.00 0.00 H new ATOM 0 HB2 GLN A 106 3.988 -13.606 -2.609 1.00 0.00 H new ATOM 0 HB3 GLN A 106 5.214 -14.810 -2.956 1.00 0.00 H new ATOM 0 HG2 GLN A 106 4.773 -15.311 -0.306 1.00 0.00 H new ATOM 0 HG3 GLN A 106 3.192 -14.726 -0.782 1.00 0.00 H new ATOM 0 HE21 GLN A 106 2.344 -15.693 -2.937 1.00 0.00 H new ATOM 0 HE22 GLN A 106 2.568 -17.436 -3.123 1.00 0.00 H new ATOM 1671 N ILE A 107 6.339 -11.648 -3.189 1.00 0.00 N ATOM 1672 CA ILE A 107 7.114 -10.993 -4.231 1.00 0.00 C ATOM 1673 C ILE A 107 8.163 -10.077 -3.615 1.00 0.00 C ATOM 1674 O ILE A 107 9.346 -10.163 -3.940 1.00 0.00 O ATOM 1675 CB ILE A 107 6.206 -10.184 -5.173 1.00 0.00 C ATOM 1676 CG1 ILE A 107 4.980 -11.006 -5.581 1.00 0.00 C ATOM 1677 CG2 ILE A 107 6.990 -9.756 -6.394 1.00 0.00 C ATOM 1678 CD1 ILE A 107 3.698 -10.203 -5.620 1.00 0.00 C ATOM 0 H ILE A 107 5.472 -11.168 -2.948 1.00 0.00 H new ATOM 0 HA ILE A 107 7.611 -11.769 -4.813 1.00 0.00 H new ATOM 0 HB ILE A 107 5.855 -9.296 -4.648 1.00 0.00 H new ATOM 0 HG12 ILE A 107 5.156 -11.442 -6.564 1.00 0.00 H new ATOM 0 HG13 ILE A 107 4.859 -11.834 -4.882 1.00 0.00 H new ATOM 0 HG21 ILE A 107 6.344 -9.183 -7.059 1.00 0.00 H new ATOM 0 HG22 ILE A 107 7.833 -9.138 -6.087 1.00 0.00 H new ATOM 0 HG23 ILE A 107 7.359 -10.638 -6.917 1.00 0.00 H new ATOM 0 HD11 ILE A 107 2.872 -10.850 -5.917 1.00 0.00 H new ATOM 0 HD12 ILE A 107 3.498 -9.789 -4.632 1.00 0.00 H new ATOM 0 HD13 ILE A 107 3.799 -9.391 -6.340 1.00 0.00 H new ATOM 1690 N ILE A 108 7.721 -9.209 -2.715 1.00 0.00 N ATOM 1691 CA ILE A 108 8.619 -8.277 -2.029 1.00 0.00 C ATOM 1692 C ILE A 108 9.909 -8.958 -1.608 1.00 0.00 C ATOM 1693 O ILE A 108 11.001 -8.536 -1.978 1.00 0.00 O ATOM 1694 CB ILE A 108 7.965 -7.661 -0.778 1.00 0.00 C ATOM 1695 CG1 ILE A 108 6.584 -7.085 -1.127 1.00 0.00 C ATOM 1696 CG2 ILE A 108 8.884 -6.603 -0.174 1.00 0.00 C ATOM 1697 CD1 ILE A 108 6.358 -5.657 -0.667 1.00 0.00 C ATOM 0 H ILE A 108 6.742 -9.127 -2.439 1.00 0.00 H new ATOM 0 HA ILE A 108 8.836 -7.486 -2.747 1.00 0.00 H new ATOM 0 HB ILE A 108 7.816 -8.439 -0.029 1.00 0.00 H new ATOM 0 HG12 ILE A 108 6.449 -7.130 -2.208 1.00 0.00 H new ATOM 0 HG13 ILE A 108 5.818 -7.721 -0.684 1.00 0.00 H new ATOM 0 HG21 ILE A 108 8.413 -6.173 0.710 1.00 0.00 H new ATOM 0 HG22 ILE A 108 9.832 -7.062 0.107 1.00 0.00 H new ATOM 0 HG23 ILE A 108 9.065 -5.817 -0.907 1.00 0.00 H new ATOM 0 HD11 ILE A 108 5.358 -5.335 -0.957 1.00 0.00 H new ATOM 0 HD12 ILE A 108 6.456 -5.604 0.417 1.00 0.00 H new ATOM 0 HD13 ILE A 108 7.098 -5.004 -1.130 1.00 0.00 H new ATOM 1709 N SER A 109 9.764 -10.014 -0.831 1.00 0.00 N ATOM 1710 CA SER A 109 10.910 -10.775 -0.341 1.00 0.00 C ATOM 1711 C SER A 109 11.891 -11.081 -1.467 1.00 0.00 C ATOM 1712 O SER A 109 13.092 -11.221 -1.240 1.00 0.00 O ATOM 1713 CB SER A 109 10.446 -12.076 0.311 1.00 0.00 C ATOM 1714 OG SER A 109 11.539 -12.796 0.851 1.00 0.00 O ATOM 0 H SER A 109 8.860 -10.371 -0.521 1.00 0.00 H new ATOM 0 HA SER A 109 11.421 -10.164 0.403 1.00 0.00 H new ATOM 0 HB2 SER A 109 9.728 -11.854 1.100 1.00 0.00 H new ATOM 0 HB3 SER A 109 9.930 -12.691 -0.426 1.00 0.00 H new ATOM 0 HG SER A 109 11.281 -13.184 1.713 1.00 0.00 H new ATOM 1720 N ARG A 110 11.369 -11.180 -2.682 1.00 0.00 N ATOM 1721 CA ARG A 110 12.194 -11.466 -3.846 1.00 0.00 C ATOM 1722 C ARG A 110 13.056 -10.263 -4.218 1.00 0.00 C ATOM 1723 O ARG A 110 14.110 -10.415 -4.828 1.00 0.00 O ATOM 1724 CB ARG A 110 11.326 -11.887 -5.035 1.00 0.00 C ATOM 1725 CG ARG A 110 11.564 -13.321 -5.477 1.00 0.00 C ATOM 1726 CD ARG A 110 11.065 -13.557 -6.893 1.00 0.00 C ATOM 1727 NE ARG A 110 11.790 -14.640 -7.555 1.00 0.00 N ATOM 1728 CZ ARG A 110 11.557 -15.031 -8.806 1.00 0.00 C ATOM 1729 NH1 ARG A 110 10.623 -14.431 -9.533 1.00 0.00 N ATOM 1730 NH2 ARG A 110 12.262 -16.024 -9.331 1.00 0.00 N ATOM 0 H ARG A 110 10.376 -11.066 -2.887 1.00 0.00 H new ATOM 0 HA ARG A 110 12.857 -12.293 -3.589 1.00 0.00 H new ATOM 0 HB2 ARG A 110 10.276 -11.766 -4.770 1.00 0.00 H new ATOM 0 HB3 ARG A 110 11.522 -11.219 -5.873 1.00 0.00 H new ATOM 0 HG2 ARG A 110 12.629 -13.548 -5.423 1.00 0.00 H new ATOM 0 HG3 ARG A 110 11.058 -14.002 -4.793 1.00 0.00 H new ATOM 0 HD2 ARG A 110 10.002 -13.795 -6.868 1.00 0.00 H new ATOM 0 HD3 ARG A 110 11.173 -12.641 -7.473 1.00 0.00 H new ATOM 0 HE ARG A 110 12.517 -15.124 -7.028 1.00 0.00 H new ATOM 0 HH11 ARG A 110 10.079 -13.666 -9.134 1.00 0.00 H new ATOM 0 HH12 ARG A 110 10.449 -14.735 -10.491 1.00 0.00 H new ATOM 0 HH21 ARG A 110 12.982 -16.487 -8.776 1.00 0.00 H new ATOM 0 HH22 ARG A 110 12.084 -16.324 -10.289 1.00 0.00 H new ATOM 1744 N TYR A 111 12.607 -9.070 -3.841 1.00 0.00 N ATOM 1745 CA TYR A 111 13.356 -7.853 -4.135 1.00 0.00 C ATOM 1746 C TYR A 111 14.554 -7.760 -3.207 1.00 0.00 C ATOM 1747 O TYR A 111 15.626 -7.297 -3.595 1.00 0.00 O ATOM 1748 CB TYR A 111 12.494 -6.591 -3.974 1.00 0.00 C ATOM 1749 CG TYR A 111 11.033 -6.736 -4.358 1.00 0.00 C ATOM 1750 CD1 TYR A 111 10.572 -7.805 -5.121 1.00 0.00 C ATOM 1751 CD2 TYR A 111 10.107 -5.782 -3.944 1.00 0.00 C ATOM 1752 CE1 TYR A 111 9.241 -7.917 -5.455 1.00 0.00 C ATOM 1753 CE2 TYR A 111 8.771 -5.889 -4.278 1.00 0.00 C ATOM 1754 CZ TYR A 111 8.343 -6.959 -5.032 1.00 0.00 C ATOM 1755 OH TYR A 111 7.014 -7.071 -5.361 1.00 0.00 O ATOM 0 H TYR A 111 11.734 -8.920 -3.335 1.00 0.00 H new ATOM 0 HA TYR A 111 13.679 -7.908 -5.175 1.00 0.00 H new ATOM 0 HB2 TYR A 111 12.547 -6.268 -2.934 1.00 0.00 H new ATOM 0 HB3 TYR A 111 12.932 -5.796 -4.577 1.00 0.00 H new ATOM 0 HD1 TYR A 111 11.269 -8.558 -5.456 1.00 0.00 H new ATOM 0 HD2 TYR A 111 10.440 -4.943 -3.351 1.00 0.00 H new ATOM 0 HE1 TYR A 111 8.901 -8.754 -6.047 1.00 0.00 H new ATOM 0 HE2 TYR A 111 8.067 -5.139 -3.950 1.00 0.00 H new ATOM 0 HH TYR A 111 6.491 -7.252 -4.552 1.00 0.00 H new ATOM 1765 N LYS A 112 14.362 -8.227 -1.979 1.00 0.00 N ATOM 1766 CA LYS A 112 15.423 -8.225 -0.986 1.00 0.00 C ATOM 1767 C LYS A 112 16.276 -9.443 -1.219 1.00 0.00 C ATOM 1768 O LYS A 112 17.506 -9.389 -1.212 1.00 0.00 O ATOM 1769 CB LYS A 112 14.887 -8.236 0.452 1.00 0.00 C ATOM 1770 CG LYS A 112 13.401 -8.482 0.544 1.00 0.00 C ATOM 1771 CD LYS A 112 12.638 -7.333 -0.069 1.00 0.00 C ATOM 1772 CE LYS A 112 12.761 -6.080 0.766 1.00 0.00 C ATOM 1773 NZ LYS A 112 11.520 -5.259 0.732 1.00 0.00 N ATOM 0 H LYS A 112 13.477 -8.613 -1.649 1.00 0.00 H new ATOM 0 HA LYS A 112 15.999 -7.306 -1.097 1.00 0.00 H new ATOM 0 HB2 LYS A 112 15.410 -9.006 1.019 1.00 0.00 H new ATOM 0 HB3 LYS A 112 15.118 -7.281 0.924 1.00 0.00 H new ATOM 0 HG2 LYS A 112 13.147 -9.410 0.031 1.00 0.00 H new ATOM 0 HG3 LYS A 112 13.110 -8.604 1.587 1.00 0.00 H new ATOM 0 HD2 LYS A 112 13.013 -7.140 -1.074 1.00 0.00 H new ATOM 0 HD3 LYS A 112 11.587 -7.604 -0.168 1.00 0.00 H new ATOM 0 HE2 LYS A 112 12.986 -6.353 1.797 1.00 0.00 H new ATOM 0 HE3 LYS A 112 13.599 -5.484 0.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 11.741 -4.283 1.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 11.130 -5.259 -0.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 10.820 -5.660 1.389 1.00 0.00 H new ATOM 1787 N ASP A 113 15.584 -10.542 -1.468 1.00 0.00 N ATOM 1788 CA ASP A 113 16.237 -11.806 -1.757 1.00 0.00 C ATOM 1789 C ASP A 113 17.070 -11.654 -3.017 1.00 0.00 C ATOM 1790 O ASP A 113 18.126 -12.270 -3.163 1.00 0.00 O ATOM 1791 CB ASP A 113 15.204 -12.922 -1.931 1.00 0.00 C ATOM 1792 CG ASP A 113 15.846 -14.291 -2.047 1.00 0.00 C ATOM 1793 OD1 ASP A 113 16.858 -14.531 -1.356 1.00 0.00 O ATOM 1794 OD2 ASP A 113 15.337 -15.121 -2.829 1.00 0.00 O ATOM 0 H ASP A 113 14.565 -10.583 -1.476 1.00 0.00 H new ATOM 0 HA ASP A 113 16.883 -12.077 -0.922 1.00 0.00 H new ATOM 0 HB2 ASP A 113 14.520 -12.915 -1.083 1.00 0.00 H new ATOM 0 HB3 ASP A 113 14.608 -12.726 -2.823 1.00 0.00 H new ATOM 1799 N ALA A 114 16.589 -10.802 -3.917 1.00 0.00 N ATOM 1800 CA ALA A 114 17.287 -10.530 -5.159 1.00 0.00 C ATOM 1801 C ALA A 114 18.204 -9.321 -5.006 1.00 0.00 C ATOM 1802 O ALA A 114 19.127 -9.127 -5.796 1.00 0.00 O ATOM 1803 CB ALA A 114 16.301 -10.311 -6.296 1.00 0.00 C ATOM 0 H ALA A 114 15.715 -10.289 -3.804 1.00 0.00 H new ATOM 0 HA ALA A 114 17.899 -11.399 -5.401 1.00 0.00 H new ATOM 0 HB1 ALA A 114 16.847 -10.109 -7.217 1.00 0.00 H new ATOM 0 HB2 ALA A 114 15.690 -11.204 -6.425 1.00 0.00 H new ATOM 0 HB3 ALA A 114 15.658 -9.463 -6.062 1.00 0.00 H new ATOM 1809 N ASP A 115 17.943 -8.509 -3.979 1.00 0.00 N ATOM 1810 CA ASP A 115 18.749 -7.318 -3.722 1.00 0.00 C ATOM 1811 C ASP A 115 20.238 -7.657 -3.698 1.00 0.00 C ATOM 1812 O ASP A 115 21.059 -6.719 -3.771 1.00 0.00 O ATOM 1813 CB ASP A 115 18.342 -6.676 -2.394 1.00 0.00 C ATOM 1814 CG ASP A 115 19.101 -5.394 -2.112 1.00 0.00 C ATOM 1815 OD1 ASP A 115 18.674 -4.331 -2.610 1.00 0.00 O ATOM 1816 OD2 ASP A 115 20.122 -5.454 -1.395 1.00 0.00 O ATOM 0 H ASP A 115 17.182 -8.655 -3.315 1.00 0.00 H new ATOM 0 HA ASP A 115 18.569 -6.611 -4.532 1.00 0.00 H new ATOM 0 HB2 ASP A 115 17.273 -6.466 -2.409 1.00 0.00 H new ATOM 0 HB3 ASP A 115 18.517 -7.384 -1.583 1.00 0.00 H new TER 1821 ASP A 115 ATOM 1822 N ASP B 661 -21.724 6.661 6.865 1.00 0.00 N ATOM 1823 CA ASP B 661 -20.648 6.443 5.863 1.00 0.00 C ATOM 1824 C ASP B 661 -20.110 7.769 5.335 1.00 0.00 C ATOM 1825 O ASP B 661 -19.857 7.915 4.138 1.00 0.00 O ATOM 1826 CB ASP B 661 -21.215 5.607 4.714 1.00 0.00 C ATOM 1827 CG ASP B 661 -21.562 4.196 5.143 1.00 0.00 C ATOM 1828 OD1 ASP B 661 -20.737 3.566 5.837 1.00 0.00 O ATOM 1829 OD2 ASP B 661 -22.660 3.719 4.785 1.00 0.00 O ATOM 0 HA ASP B 661 -19.818 5.918 6.336 1.00 0.00 H new ATOM 0 HB2 ASP B 661 -22.107 6.094 4.320 1.00 0.00 H new ATOM 0 HB3 ASP B 661 -20.488 5.569 3.903 1.00 0.00 H new ATOM 1834 N LEU B 662 -19.937 8.732 6.234 1.00 0.00 N ATOM 1835 CA LEU B 662 -19.430 10.046 5.860 1.00 0.00 C ATOM 1836 C LEU B 662 -17.971 10.206 6.278 1.00 0.00 C ATOM 1837 O LEU B 662 -17.202 10.911 5.626 1.00 0.00 O ATOM 1838 CB LEU B 662 -20.279 11.146 6.499 1.00 0.00 C ATOM 1839 CG LEU B 662 -20.155 12.523 5.844 1.00 0.00 C ATOM 1840 CD1 LEU B 662 -21.453 13.300 5.987 1.00 0.00 C ATOM 1841 CD2 LEU B 662 -18.996 13.299 6.453 1.00 0.00 C ATOM 0 H LEU B 662 -20.141 8.626 7.228 1.00 0.00 H new ATOM 0 HA LEU B 662 -19.491 10.135 4.775 1.00 0.00 H new ATOM 0 HB2 LEU B 662 -21.325 10.840 6.470 1.00 0.00 H new ATOM 0 HB3 LEU B 662 -20.002 11.234 7.549 1.00 0.00 H new ATOM 0 HG LEU B 662 -19.955 12.383 4.782 1.00 0.00 H new ATOM 0 HD11 LEU B 662 -21.346 14.277 5.515 1.00 0.00 H new ATOM 0 HD12 LEU B 662 -22.261 12.750 5.504 1.00 0.00 H new ATOM 0 HD13 LEU B 662 -21.684 13.431 7.044 1.00 0.00 H new ATOM 0 HD21 LEU B 662 -18.922 14.276 5.976 1.00 0.00 H new ATOM 0 HD22 LEU B 662 -19.167 13.429 7.522 1.00 0.00 H new ATOM 0 HD23 LEU B 662 -18.068 12.748 6.298 1.00 0.00 H new ATOM 1853 N GLU B 663 -17.599 9.544 7.369 1.00 0.00 N ATOM 1854 CA GLU B 663 -16.232 9.613 7.875 1.00 0.00 C ATOM 1855 C GLU B 663 -16.050 8.693 9.077 1.00 0.00 C ATOM 1856 O GLU B 663 -16.251 9.102 10.221 1.00 0.00 O ATOM 1857 CB GLU B 663 -15.880 11.051 8.259 1.00 0.00 C ATOM 1858 CG GLU B 663 -14.389 11.286 8.434 1.00 0.00 C ATOM 1859 CD GLU B 663 -13.586 10.867 7.218 1.00 0.00 C ATOM 1860 OE1 GLU B 663 -13.789 11.461 6.138 1.00 0.00 O ATOM 1861 OE2 GLU B 663 -12.755 9.943 7.345 1.00 0.00 O ATOM 0 H GLU B 663 -18.224 8.954 7.919 1.00 0.00 H new ATOM 0 HA GLU B 663 -15.560 9.282 7.083 1.00 0.00 H new ATOM 0 HB2 GLU B 663 -16.258 11.726 7.491 1.00 0.00 H new ATOM 0 HB3 GLU B 663 -16.391 11.306 9.187 1.00 0.00 H new ATOM 0 HG2 GLU B 663 -14.213 12.343 8.635 1.00 0.00 H new ATOM 0 HG3 GLU B 663 -14.038 10.733 9.305 1.00 0.00 H new ATOM 1868 N VAL B 664 -15.667 7.449 8.810 1.00 0.00 N ATOM 1869 CA VAL B 664 -15.456 6.470 9.870 1.00 0.00 C ATOM 1870 C VAL B 664 -14.297 5.538 9.532 1.00 0.00 C ATOM 1871 O VAL B 664 -14.503 4.413 9.077 1.00 0.00 O ATOM 1872 CB VAL B 664 -16.722 5.629 10.118 1.00 0.00 C ATOM 1873 CG1 VAL B 664 -16.550 4.754 11.350 1.00 0.00 C ATOM 1874 CG2 VAL B 664 -17.942 6.527 10.258 1.00 0.00 C ATOM 0 H VAL B 664 -15.496 7.095 7.869 1.00 0.00 H new ATOM 0 HA VAL B 664 -15.218 7.029 10.775 1.00 0.00 H new ATOM 0 HB VAL B 664 -16.877 4.978 9.258 1.00 0.00 H new ATOM 0 HG11 VAL B 664 -17.455 4.167 11.509 1.00 0.00 H new ATOM 0 HG12 VAL B 664 -15.703 4.083 11.204 1.00 0.00 H new ATOM 0 HG13 VAL B 664 -16.368 5.384 12.221 1.00 0.00 H new ATOM 0 HG21 VAL B 664 -18.827 5.914 10.433 1.00 0.00 H new ATOM 0 HG22 VAL B 664 -17.799 7.206 11.098 1.00 0.00 H new ATOM 0 HG23 VAL B 664 -18.076 7.105 9.343 1.00 0.00 H new ATOM 1884 N LEU B 665 -13.077 6.015 9.757 1.00 0.00 N ATOM 1885 CA LEU B 665 -11.883 5.226 9.475 1.00 0.00 C ATOM 1886 C LEU B 665 -10.948 5.206 10.679 1.00 0.00 C ATOM 1887 O LEU B 665 -10.850 6.184 11.420 1.00 0.00 O ATOM 1888 CB LEU B 665 -11.152 5.788 8.254 1.00 0.00 C ATOM 1889 CG LEU B 665 -10.251 4.793 7.518 1.00 0.00 C ATOM 1890 CD1 LEU B 665 -9.014 4.476 8.345 1.00 0.00 C ATOM 1891 CD2 LEU B 665 -11.018 3.521 7.188 1.00 0.00 C ATOM 0 H LEU B 665 -12.889 6.944 10.134 1.00 0.00 H new ATOM 0 HA LEU B 665 -12.194 4.203 9.264 1.00 0.00 H new ATOM 0 HB2 LEU B 665 -11.892 6.171 7.552 1.00 0.00 H new ATOM 0 HB3 LEU B 665 -10.546 6.636 8.572 1.00 0.00 H new ATOM 0 HG LEU B 665 -9.927 5.250 6.583 1.00 0.00 H new ATOM 0 HD11 LEU B 665 -8.387 3.767 7.804 1.00 0.00 H new ATOM 0 HD12 LEU B 665 -8.453 5.393 8.526 1.00 0.00 H new ATOM 0 HD13 LEU B 665 -9.315 4.041 9.298 1.00 0.00 H new ATOM 0 HD21 LEU B 665 -10.361 2.826 6.665 1.00 0.00 H new ATOM 0 HD22 LEU B 665 -11.373 3.061 8.110 1.00 0.00 H new ATOM 0 HD23 LEU B 665 -11.869 3.764 6.552 1.00 0.00 H new ATOM 1903 N SER B 666 -10.263 4.083 10.869 1.00 0.00 N ATOM 1904 CA SER B 666 -9.333 3.933 11.983 1.00 0.00 C ATOM 1905 C SER B 666 -8.060 3.225 11.533 1.00 0.00 C ATOM 1906 O SER B 666 -7.876 2.034 11.787 1.00 0.00 O ATOM 1907 CB SER B 666 -9.991 3.151 13.121 1.00 0.00 C ATOM 1908 OG SER B 666 -9.378 3.447 14.365 1.00 0.00 O ATOM 0 H SER B 666 -10.334 3.263 10.266 1.00 0.00 H new ATOM 0 HA SER B 666 -9.068 4.928 12.342 1.00 0.00 H new ATOM 0 HB2 SER B 666 -11.052 3.395 13.168 1.00 0.00 H new ATOM 0 HB3 SER B 666 -9.918 2.082 12.921 1.00 0.00 H new ATOM 0 HG SER B 666 -9.818 2.936 15.076 1.00 0.00 H new ATOM 1914 N GLU B 667 -7.183 3.965 10.861 1.00 0.00 N ATOM 1915 CA GLU B 667 -5.926 3.408 10.372 1.00 0.00 C ATOM 1916 C GLU B 667 -4.789 3.640 11.357 1.00 0.00 C ATOM 1917 O GLU B 667 -3.614 3.569 10.999 1.00 0.00 O ATOM 1918 CB GLU B 667 -5.570 3.992 9.003 1.00 0.00 C ATOM 1919 CG GLU B 667 -5.308 5.489 9.029 1.00 0.00 C ATOM 1920 CD GLU B 667 -5.475 6.134 7.667 1.00 0.00 C ATOM 1921 OE1 GLU B 667 -6.630 6.265 7.211 1.00 0.00 O ATOM 1922 OE2 GLU B 667 -4.451 6.508 7.058 1.00 0.00 O ATOM 0 H GLU B 667 -7.320 4.952 10.643 1.00 0.00 H new ATOM 0 HA GLU B 667 -6.065 2.332 10.269 1.00 0.00 H new ATOM 0 HB2 GLU B 667 -4.685 3.484 8.619 1.00 0.00 H new ATOM 0 HB3 GLU B 667 -6.383 3.786 8.307 1.00 0.00 H new ATOM 0 HG2 GLU B 667 -5.990 5.961 9.737 1.00 0.00 H new ATOM 0 HG3 GLU B 667 -4.296 5.671 9.391 1.00 0.00 H new ATOM 1929 N GLU B 668 -5.155 3.916 12.594 1.00 0.00 N ATOM 1930 CA GLU B 668 -4.179 4.161 13.650 1.00 0.00 C ATOM 1931 C GLU B 668 -3.574 2.853 14.158 1.00 0.00 C ATOM 1932 O GLU B 668 -2.525 2.855 14.802 1.00 0.00 O ATOM 1933 CB GLU B 668 -4.832 4.917 14.809 1.00 0.00 C ATOM 1934 CG GLU B 668 -3.915 5.938 15.461 1.00 0.00 C ATOM 1935 CD GLU B 668 -4.284 6.214 16.906 1.00 0.00 C ATOM 1936 OE1 GLU B 668 -5.211 7.019 17.137 1.00 0.00 O ATOM 1937 OE2 GLU B 668 -3.648 5.625 17.805 1.00 0.00 O ATOM 0 H GLU B 668 -6.127 3.977 12.898 1.00 0.00 H new ATOM 0 HA GLU B 668 -3.377 4.768 13.231 1.00 0.00 H new ATOM 0 HB2 GLU B 668 -5.725 5.424 14.444 1.00 0.00 H new ATOM 0 HB3 GLU B 668 -5.158 4.200 15.562 1.00 0.00 H new ATOM 0 HG2 GLU B 668 -2.887 5.579 15.415 1.00 0.00 H new ATOM 0 HG3 GLU B 668 -3.954 6.869 14.896 1.00 0.00 H new ATOM 1944 N LEU B 669 -4.241 1.739 13.868 1.00 0.00 N ATOM 1945 CA LEU B 669 -3.764 0.430 14.299 1.00 0.00 C ATOM 1946 C LEU B 669 -3.162 -0.352 13.134 1.00 0.00 C ATOM 1947 O LEU B 669 -3.042 -1.575 13.194 1.00 0.00 O ATOM 1948 CB LEU B 669 -4.909 -0.370 14.924 1.00 0.00 C ATOM 1949 CG LEU B 669 -6.248 -0.272 14.189 1.00 0.00 C ATOM 1950 CD1 LEU B 669 -6.105 -0.752 12.753 1.00 0.00 C ATOM 1951 CD2 LEU B 669 -7.314 -1.075 14.917 1.00 0.00 C ATOM 0 H LEU B 669 -5.112 1.717 13.337 1.00 0.00 H new ATOM 0 HA LEU B 669 -2.984 0.587 15.044 1.00 0.00 H new ATOM 0 HB2 LEU B 669 -4.615 -1.418 14.972 1.00 0.00 H new ATOM 0 HB3 LEU B 669 -5.050 -0.031 15.950 1.00 0.00 H new ATOM 0 HG LEU B 669 -6.556 0.773 14.172 1.00 0.00 H new ATOM 0 HD11 LEU B 669 -7.067 -0.675 12.246 1.00 0.00 H new ATOM 0 HD12 LEU B 669 -5.371 -0.135 12.234 1.00 0.00 H new ATOM 0 HD13 LEU B 669 -5.774 -1.791 12.748 1.00 0.00 H new ATOM 0 HD21 LEU B 669 -8.260 -0.994 14.381 1.00 0.00 H new ATOM 0 HD22 LEU B 669 -7.012 -2.121 14.965 1.00 0.00 H new ATOM 0 HD23 LEU B 669 -7.436 -0.686 15.928 1.00 0.00 H new ATOM 1963 N PHE B 670 -2.783 0.358 12.075 1.00 0.00 N ATOM 1964 CA PHE B 670 -2.194 -0.278 10.902 1.00 0.00 C ATOM 1965 C PHE B 670 -0.916 -1.025 11.270 1.00 0.00 C ATOM 1966 O PHE B 670 0.028 -0.437 11.797 1.00 0.00 O ATOM 1967 CB PHE B 670 -1.896 0.768 9.824 1.00 0.00 C ATOM 1968 CG PHE B 670 -2.970 0.877 8.781 1.00 0.00 C ATOM 1969 CD1 PHE B 670 -4.298 1.020 9.148 1.00 0.00 C ATOM 1970 CD2 PHE B 670 -2.652 0.835 7.432 1.00 0.00 C ATOM 1971 CE1 PHE B 670 -5.289 1.121 8.191 1.00 0.00 C ATOM 1972 CE2 PHE B 670 -3.639 0.936 6.470 1.00 0.00 C ATOM 1973 CZ PHE B 670 -4.960 1.079 6.850 1.00 0.00 C ATOM 0 H PHE B 670 -2.873 1.372 12.006 1.00 0.00 H new ATOM 0 HA PHE B 670 -2.913 -0.998 10.511 1.00 0.00 H new ATOM 0 HB2 PHE B 670 -1.762 1.740 10.299 1.00 0.00 H new ATOM 0 HB3 PHE B 670 -0.953 0.518 9.338 1.00 0.00 H new ATOM 0 HD1 PHE B 670 -4.562 1.053 10.195 1.00 0.00 H new ATOM 0 HD2 PHE B 670 -1.621 0.722 7.130 1.00 0.00 H new ATOM 0 HE1 PHE B 670 -6.320 1.233 8.491 1.00 0.00 H new ATOM 0 HE2 PHE B 670 -3.378 0.903 5.422 1.00 0.00 H new ATOM 0 HZ PHE B 670 -5.733 1.158 6.100 1.00 0.00 H new ATOM 1983 N GLU B 671 -0.894 -2.324 10.989 1.00 0.00 N ATOM 1984 CA GLU B 671 0.268 -3.151 11.289 1.00 0.00 C ATOM 1985 C GLU B 671 1.213 -3.211 10.094 1.00 0.00 C ATOM 1986 O GLU B 671 0.775 -3.229 8.943 1.00 0.00 O ATOM 1987 CB GLU B 671 -0.171 -4.564 11.679 1.00 0.00 C ATOM 1988 CG GLU B 671 0.945 -5.405 12.275 1.00 0.00 C ATOM 1989 CD GLU B 671 0.863 -6.861 11.862 1.00 0.00 C ATOM 1990 OE1 GLU B 671 0.973 -7.141 10.649 1.00 0.00 O ATOM 1991 OE2 GLU B 671 0.689 -7.722 12.750 1.00 0.00 O ATOM 0 H GLU B 671 -1.668 -2.826 10.554 1.00 0.00 H new ATOM 0 HA GLU B 671 0.798 -2.700 12.128 1.00 0.00 H new ATOM 0 HB2 GLU B 671 -0.987 -4.496 12.398 1.00 0.00 H new ATOM 0 HB3 GLU B 671 -0.564 -5.070 10.797 1.00 0.00 H new ATOM 0 HG2 GLU B 671 1.907 -4.997 11.965 1.00 0.00 H new ATOM 0 HG3 GLU B 671 0.905 -5.337 13.362 1.00 0.00 H new ATOM 1998 N ASP B 672 2.511 -3.240 10.373 1.00 0.00 N ATOM 1999 CA ASP B 672 3.518 -3.296 9.320 1.00 0.00 C ATOM 2000 C ASP B 672 3.906 -4.738 9.011 1.00 0.00 C ATOM 2001 O ASP B 672 4.568 -5.398 9.813 1.00 0.00 O ATOM 2002 CB ASP B 672 4.758 -2.498 9.728 1.00 0.00 C ATOM 2003 CG ASP B 672 5.768 -2.385 8.603 1.00 0.00 C ATOM 2004 OD1 ASP B 672 5.389 -1.920 7.509 1.00 0.00 O ATOM 2005 OD2 ASP B 672 6.940 -2.764 8.818 1.00 0.00 O ATOM 0 H ASP B 672 2.891 -3.226 11.320 1.00 0.00 H new ATOM 0 HA ASP B 672 3.090 -2.855 8.420 1.00 0.00 H new ATOM 0 HB2 ASP B 672 4.456 -1.499 10.044 1.00 0.00 H new ATOM 0 HB3 ASP B 672 5.228 -2.976 10.588 1.00 0.00 H new ATOM 2010 N VAL B 673 3.494 -5.221 7.843 1.00 0.00 N ATOM 2011 CA VAL B 673 3.802 -6.584 7.427 1.00 0.00 C ATOM 2012 C VAL B 673 5.313 -6.815 7.396 1.00 0.00 C ATOM 2013 O VAL B 673 6.063 -5.975 6.900 1.00 0.00 O ATOM 2014 CB VAL B 673 3.219 -6.894 6.034 1.00 0.00 C ATOM 2015 CG1 VAL B 673 3.298 -8.385 5.740 1.00 0.00 C ATOM 2016 CG2 VAL B 673 1.784 -6.399 5.927 1.00 0.00 C ATOM 0 H VAL B 673 2.946 -4.688 7.168 1.00 0.00 H new ATOM 0 HA VAL B 673 3.345 -7.251 8.158 1.00 0.00 H new ATOM 0 HB VAL B 673 3.816 -6.367 5.290 1.00 0.00 H new ATOM 0 HG11 VAL B 673 2.882 -8.584 4.752 1.00 0.00 H new ATOM 0 HG12 VAL B 673 4.339 -8.706 5.766 1.00 0.00 H new ATOM 0 HG13 VAL B 673 2.730 -8.934 6.491 1.00 0.00 H new ATOM 0 HG21 VAL B 673 1.393 -6.628 4.936 1.00 0.00 H new ATOM 0 HG22 VAL B 673 1.172 -6.892 6.682 1.00 0.00 H new ATOM 0 HG23 VAL B 673 1.758 -5.321 6.087 1.00 0.00 H new ATOM 2026 N PRO B 674 5.783 -7.956 7.930 1.00 0.00 N ATOM 2027 CA PRO B 674 7.213 -8.279 7.958 1.00 0.00 C ATOM 2028 C PRO B 674 7.752 -8.658 6.582 1.00 0.00 C ATOM 2029 O PRO B 674 7.200 -9.524 5.906 1.00 0.00 O ATOM 2030 CB PRO B 674 7.284 -9.476 8.908 1.00 0.00 C ATOM 2031 CG PRO B 674 5.950 -10.129 8.791 1.00 0.00 C ATOM 2032 CD PRO B 674 4.964 -9.018 8.548 1.00 0.00 C ATOM 0 HA PRO B 674 7.817 -7.428 8.273 1.00 0.00 H new ATOM 0 HB2 PRO B 674 8.086 -10.159 8.626 1.00 0.00 H new ATOM 0 HB3 PRO B 674 7.481 -9.158 9.932 1.00 0.00 H new ATOM 0 HG2 PRO B 674 5.938 -10.848 7.971 1.00 0.00 H new ATOM 0 HG3 PRO B 674 5.703 -10.678 9.700 1.00 0.00 H new ATOM 0 HD2 PRO B 674 4.156 -9.336 7.889 1.00 0.00 H new ATOM 0 HD3 PRO B 674 4.504 -8.680 9.477 1.00 0.00 H new ATOM 2040 N THR B 675 8.839 -8.005 6.179 1.00 0.00 N ATOM 2041 CA THR B 675 9.458 -8.274 4.885 1.00 0.00 C ATOM 2042 C THR B 675 10.875 -8.811 5.064 1.00 0.00 C ATOM 2043 O THR B 675 11.534 -8.529 6.066 1.00 0.00 O ATOM 2044 CB THR B 675 9.484 -7.002 4.033 1.00 0.00 C ATOM 2045 OG1 THR B 675 9.288 -5.853 4.837 1.00 0.00 O ATOM 2046 CG2 THR B 675 8.428 -6.987 2.948 1.00 0.00 C ATOM 0 H THR B 675 9.309 -7.286 6.730 1.00 0.00 H new ATOM 0 HA THR B 675 8.863 -9.031 4.374 1.00 0.00 H new ATOM 0 HB THR B 675 10.467 -6.991 3.563 1.00 0.00 H new ATOM 0 HG1 THR B 675 9.310 -5.052 4.273 1.00 0.00 H new ATOM 0 HG21 THR B 675 8.501 -6.059 2.382 1.00 0.00 H new ATOM 0 HG22 THR B 675 8.582 -7.833 2.279 1.00 0.00 H new ATOM 0 HG23 THR B 675 7.439 -7.058 3.401 1.00 0.00 H new ATOM 2054 N LYS B 676 11.338 -9.585 4.089 1.00 0.00 N ATOM 2055 CA LYS B 676 12.677 -10.161 4.141 1.00 0.00 C ATOM 2056 C LYS B 676 13.737 -9.068 4.229 1.00 0.00 C ATOM 2057 O LYS B 676 13.486 -7.916 3.875 1.00 0.00 O ATOM 2058 CB LYS B 676 12.927 -11.034 2.909 1.00 0.00 C ATOM 2059 CG LYS B 676 13.728 -12.291 3.207 1.00 0.00 C ATOM 2060 CD LYS B 676 14.604 -12.685 2.029 1.00 0.00 C ATOM 2061 CE LYS B 676 15.405 -13.942 2.326 1.00 0.00 C ATOM 2062 NZ LYS B 676 16.469 -13.696 3.339 1.00 0.00 N ATOM 0 H LYS B 676 10.806 -9.828 3.253 1.00 0.00 H new ATOM 0 HA LYS B 676 12.745 -10.780 5.036 1.00 0.00 H new ATOM 0 HB2 LYS B 676 11.968 -11.318 2.475 1.00 0.00 H new ATOM 0 HB3 LYS B 676 13.455 -10.446 2.158 1.00 0.00 H new ATOM 0 HG2 LYS B 676 14.351 -12.127 4.086 1.00 0.00 H new ATOM 0 HG3 LYS B 676 13.048 -13.109 3.446 1.00 0.00 H new ATOM 0 HD2 LYS B 676 13.981 -12.849 1.150 1.00 0.00 H new ATOM 0 HD3 LYS B 676 15.284 -11.867 1.790 1.00 0.00 H new ATOM 0 HE2 LYS B 676 14.735 -14.723 2.686 1.00 0.00 H new ATOM 0 HE3 LYS B 676 15.858 -14.310 1.405 1.00 0.00 H new ATOM 0 HZ1 LYS B 676 17.067 -14.542 3.427 1.00 0.00 H new ATOM 0 HZ2 LYS B 676 17.053 -12.889 3.040 1.00 0.00 H new ATOM 0 HZ3 LYS B 676 16.031 -13.485 4.258 1.00 0.00 H new ATOM 2076 N SER B 677 14.922 -9.437 4.703 1.00 0.00 N ATOM 2077 CA SER B 677 16.022 -8.488 4.839 1.00 0.00 C ATOM 2078 C SER B 677 15.635 -7.334 5.758 1.00 0.00 C ATOM 2079 O SER B 677 14.602 -7.378 6.424 1.00 0.00 O ATOM 2080 CB SER B 677 16.432 -7.950 3.466 1.00 0.00 C ATOM 2081 OG SER B 677 15.592 -6.882 3.064 1.00 0.00 O ATOM 0 H SER B 677 15.146 -10.387 5.000 1.00 0.00 H new ATOM 0 HA SER B 677 16.869 -9.012 5.283 1.00 0.00 H new ATOM 0 HB2 SER B 677 17.467 -7.610 3.500 1.00 0.00 H new ATOM 0 HB3 SER B 677 16.384 -8.752 2.729 1.00 0.00 H new ATOM 0 HG SER B 677 14.676 -7.211 2.951 1.00 0.00 H new ATOM 2087 N GLN B 678 16.471 -6.301 5.787 1.00 0.00 N ATOM 2088 CA GLN B 678 16.217 -5.134 6.624 1.00 0.00 C ATOM 2089 C GLN B 678 16.162 -5.523 8.098 1.00 0.00 C ATOM 2090 O GLN B 678 15.083 -5.678 8.669 1.00 0.00 O ATOM 2091 CB GLN B 678 14.906 -4.462 6.212 1.00 0.00 C ATOM 2092 CG GLN B 678 14.895 -3.981 4.771 1.00 0.00 C ATOM 2093 CD GLN B 678 13.660 -3.168 4.437 1.00 0.00 C ATOM 2094 OE1 GLN B 678 13.470 -2.065 4.951 1.00 0.00 O ATOM 2095 NE2 GLN B 678 12.809 -3.710 3.573 1.00 0.00 N ATOM 0 H GLN B 678 17.330 -6.248 5.240 1.00 0.00 H new ATOM 0 HA GLN B 678 17.038 -4.431 6.484 1.00 0.00 H new ATOM 0 HB2 GLN B 678 14.086 -5.165 6.358 1.00 0.00 H new ATOM 0 HB3 GLN B 678 14.720 -3.614 6.871 1.00 0.00 H new ATOM 0 HG2 GLN B 678 15.784 -3.377 4.587 1.00 0.00 H new ATOM 0 HG3 GLN B 678 14.950 -4.841 4.104 1.00 0.00 H new ATOM 0 HE21 GLN B 678 13.005 -4.627 3.171 1.00 0.00 H new ATOM 0 HE22 GLN B 678 11.959 -3.210 3.312 1.00 0.00 H new ATOM 2104 N ILE B 679 17.333 -5.681 8.707 1.00 0.00 N ATOM 2105 CA ILE B 679 17.418 -6.051 10.114 1.00 0.00 C ATOM 2106 C ILE B 679 17.932 -4.890 10.958 1.00 0.00 C ATOM 2107 O ILE B 679 18.600 -5.093 11.972 1.00 0.00 O ATOM 2108 CB ILE B 679 18.340 -7.269 10.321 1.00 0.00 C ATOM 2109 CG1 ILE B 679 18.007 -8.368 9.310 1.00 0.00 C ATOM 2110 CG2 ILE B 679 18.214 -7.794 11.743 1.00 0.00 C ATOM 2111 CD1 ILE B 679 19.055 -9.457 9.235 1.00 0.00 C ATOM 0 H ILE B 679 18.235 -5.558 8.248 1.00 0.00 H new ATOM 0 HA ILE B 679 16.409 -6.310 10.434 1.00 0.00 H new ATOM 0 HB ILE B 679 19.371 -6.955 10.161 1.00 0.00 H new ATOM 0 HG12 ILE B 679 17.048 -8.815 9.574 1.00 0.00 H new ATOM 0 HG13 ILE B 679 17.889 -7.920 8.324 1.00 0.00 H new ATOM 0 HG21 ILE B 679 18.871 -8.654 11.873 1.00 0.00 H new ATOM 0 HG22 ILE B 679 18.497 -7.011 12.446 1.00 0.00 H new ATOM 0 HG23 ILE B 679 17.183 -8.094 11.930 1.00 0.00 H new ATOM 0 HD11 ILE B 679 18.753 -10.202 8.499 1.00 0.00 H new ATOM 0 HD12 ILE B 679 20.011 -9.023 8.941 1.00 0.00 H new ATOM 0 HD13 ILE B 679 19.157 -9.932 10.211 1.00 0.00 H new ATOM 2123 N SER B 680 17.615 -3.671 10.533 1.00 0.00 N ATOM 2124 CA SER B 680 18.044 -2.475 11.250 1.00 0.00 C ATOM 2125 C SER B 680 19.566 -2.400 11.319 1.00 0.00 C ATOM 2126 O SER B 680 20.226 -3.364 10.878 1.00 0.00 O ATOM 2127 CB SER B 680 17.457 -2.463 12.662 1.00 0.00 C ATOM 2128 OG SER B 680 16.266 -3.228 12.726 1.00 0.00 O ATOM 0 H SER B 680 17.063 -3.485 9.696 1.00 0.00 H new ATOM 0 HA SER B 680 17.679 -1.604 10.705 1.00 0.00 H new ATOM 0 HB2 SER B 680 18.187 -2.862 13.366 1.00 0.00 H new ATOM 0 HB3 SER B 680 17.250 -1.436 12.964 1.00 0.00 H new ATOM 0 HG SER B 680 15.912 -3.206 13.639 1.00 0.00 H new TER 2134 SER B 680