USER MOD reduce.3.24.130724 H: found=0, std=0, add=1143, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1141 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 117 SER OG : rot 73:sc= 0.892 USER MOD Set 1.2: A 130 HIS : +bothHN:sc= -10.8! C(o=-9.9!,f=-11!) USER MOD Set 2.1: A 97 GLN :FLIP amide:sc= -0.8 F(o=-4.2!,f=-1.2) USER MOD Set 2.2: A 99 SER OG : rot -140:sc= -0.435 USER MOD Set 3.1: A 6 SER OG : rot 47:sc= -1.07! USER MOD Set 3.2: A 8 HIS :FLIP no HD1:sc= -2.25! C(o=-5.6!,f=-3.8!) USER MOD Set 3.3: A 125 THR OG1 : rot 100:sc= -0.743 USER MOD Set 3.4: A 126 ASN :FLIP amide:sc= 0.271 F(o=-5.7,f=-3.8) USER MOD Set 4.1: A 5 LYS NZ :NH3+ 139:sc= 0.573 (180deg=0) USER MOD Set 4.2: A 13 GLN :FLIP amide:sc= -5.94! C(o=-11!,f=-5.4!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 159:sc= -0.253 (180deg=-1.39!) USER MOD Single : A 12 LYS NZ :NH3+ -125:sc= -0.381 (180deg=-1.49!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.00673 USER MOD Single : A 22 SER OG : rot 180:sc= -0.492 USER MOD Single : A 30 LYS NZ :NH3+ -166:sc= -0.0158 (180deg=-0.201) USER MOD Single : A 34 THR OG1 : rot 180:sc=-0.00388 USER MOD Single : A 35 GLN : amide:sc= -5.93! C(o=-5.9!,f=-7.6!) USER MOD Single : A 40 THR OG1 : rot 150:sc= -1.17 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0774 USER MOD Single : A 46 ASN : amide:sc= -1.05 X(o=-1.1,f=-0.55) USER MOD Single : A 50 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.128) USER MOD Single : A 52 MET CE :methyl 162:sc= -0.217 (180deg=-0.876) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.777 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.347 X(o=-0.35,f=-0.093) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.0509 F(o=-1.4!,f=-0.051) USER MOD Single : A 69 ASN :FLIP amide:sc= -3.89! C(o=-6.4!,f=-3.9!) USER MOD Single : A 73 TYR OH : rot -128:sc= -0.595 USER MOD Single : A 74 HIS : no HD1:sc= -4.68! C(o=-4.7!,f=-15!) USER MOD Single : A 76 THR OG1 : rot -60:sc= -1.06 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 ASN :FLIP amide:sc= -2.14! C(o=-4.2!,f=-2.1!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -160:sc= -0.256 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 157:sc= -0.133 (180deg=-0.813) USER MOD Single : A 107 ASN : amide:sc= -0.0664 K(o=-0.066,f=-1.8!) USER MOD Single : A 109 THR OG1 : rot 70:sc= 0.369 USER MOD Single : A 113 ASN :FLIP amide:sc= -3.86! C(o=-4.7!,f=-3.9!) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot -90:sc= -1.35 USER MOD Single : A 123 MET CE :methyl -172:sc= -0.0654 (180deg=-0.068) USER MOD Single : A 124 THR OG1 : rot 180:sc= -2.75! USER MOD Single : A 134 LYS NZ :NH3+ -176:sc= -1.46 (180deg=-1.51) USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.355 19.013 5.075 1.00 0.00 N ATOM 2 CA GLY A 1 -17.843 18.442 6.314 1.00 0.00 C ATOM 3 C GLY A 1 -18.602 17.172 6.683 1.00 0.00 C ATOM 4 O GLY A 1 -19.250 17.106 7.727 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.823 19.876 4.845 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.247 18.323 4.304 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.362 19.247 5.191 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.782 18.217 6.204 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.933 19.171 7.119 1.00 0.00 H new ATOM 8 N ALA A 2 -18.519 16.165 5.819 1.00 0.00 N ATOM 9 CA ALA A 2 -19.204 14.902 6.064 1.00 0.00 C ATOM 10 C ALA A 2 -18.321 13.726 5.654 1.00 0.00 C ATOM 11 O ALA A 2 -17.634 13.135 6.486 1.00 0.00 O ATOM 12 CB ALA A 2 -20.515 14.857 5.276 1.00 0.00 C ATOM 0 H ALA A 2 -17.988 16.199 4.949 1.00 0.00 H new ATOM 0 HA ALA A 2 -19.419 14.827 7.130 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -21.021 13.910 5.465 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -21.157 15.680 5.590 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -20.303 14.949 4.211 1.00 0.00 H new ATOM 18 N MET A 3 -18.345 13.395 4.368 1.00 0.00 N ATOM 19 CA MET A 3 -17.541 12.289 3.859 1.00 0.00 C ATOM 20 C MET A 3 -16.055 12.628 3.943 1.00 0.00 C ATOM 21 O MET A 3 -15.633 13.711 3.537 1.00 0.00 O ATOM 22 CB MET A 3 -17.922 11.990 2.407 1.00 0.00 C ATOM 23 CG MET A 3 -17.669 13.230 1.547 1.00 0.00 C ATOM 24 SD MET A 3 -16.186 12.973 0.541 1.00 0.00 S ATOM 25 CE MET A 3 -17.031 12.592 -1.012 1.00 0.00 C ATOM 0 H MET A 3 -18.907 13.872 3.663 1.00 0.00 H new ATOM 0 HA MET A 3 -17.736 11.408 4.471 1.00 0.00 H new ATOM 0 HB2 MET A 3 -17.338 11.149 2.032 1.00 0.00 H new ATOM 0 HB3 MET A 3 -18.971 11.701 2.347 1.00 0.00 H new ATOM 0 HG2 MET A 3 -18.529 13.422 0.905 1.00 0.00 H new ATOM 0 HG3 MET A 3 -17.543 14.107 2.182 1.00 0.00 H new ATOM 0 HE1 MET A 3 -16.293 12.395 -1.789 1.00 0.00 H new ATOM 0 HE2 MET A 3 -17.660 11.712 -0.878 1.00 0.00 H new ATOM 0 HE3 MET A 3 -17.651 13.439 -1.306 1.00 0.00 H new ATOM 35 N GLU A 4 -15.271 11.697 4.479 1.00 0.00 N ATOM 36 CA GLU A 4 -13.833 11.906 4.621 1.00 0.00 C ATOM 37 C GLU A 4 -13.058 11.034 3.641 1.00 0.00 C ATOM 38 O GLU A 4 -11.955 10.577 3.939 1.00 0.00 O ATOM 39 CB GLU A 4 -13.401 11.571 6.045 1.00 0.00 C ATOM 40 CG GLU A 4 -14.077 12.530 7.028 1.00 0.00 C ATOM 41 CD GLU A 4 -15.011 11.754 7.951 1.00 0.00 C ATOM 42 OE1 GLU A 4 -14.644 11.548 9.096 1.00 0.00 O ATOM 43 OE2 GLU A 4 -16.079 11.378 7.499 1.00 0.00 O ATOM 0 H GLU A 4 -15.604 10.796 4.820 1.00 0.00 H new ATOM 0 HA GLU A 4 -13.617 12.952 4.405 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -13.669 10.542 6.284 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -12.317 11.648 6.134 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -13.323 13.053 7.616 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -14.638 13.288 6.482 1.00 0.00 H new ATOM 50 N LYS A 5 -13.644 10.813 2.474 1.00 0.00 N ATOM 51 CA LYS A 5 -13.007 9.999 1.444 1.00 0.00 C ATOM 52 C LYS A 5 -12.652 8.617 1.986 1.00 0.00 C ATOM 53 O LYS A 5 -11.790 8.483 2.856 1.00 0.00 O ATOM 54 CB LYS A 5 -11.734 10.690 0.942 1.00 0.00 C ATOM 55 CG LYS A 5 -12.105 11.944 0.142 1.00 0.00 C ATOM 56 CD LYS A 5 -12.231 11.601 -1.347 1.00 0.00 C ATOM 57 CE LYS A 5 -12.464 12.885 -2.145 1.00 0.00 C ATOM 58 NZ LYS A 5 -12.949 12.542 -3.512 1.00 0.00 N ATOM 0 H LYS A 5 -14.558 11.184 2.215 1.00 0.00 H new ATOM 0 HA LYS A 5 -13.711 9.883 0.620 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -11.099 10.960 1.786 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -11.160 10.006 0.317 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -13.046 12.354 0.510 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -11.345 12.713 0.283 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -11.326 11.103 -1.695 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -13.057 10.907 -1.503 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -13.194 13.514 -1.636 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -11.539 13.458 -2.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -13.703 13.202 -3.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -12.162 12.613 -4.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -13.321 11.571 -3.515 1.00 0.00 H new ATOM 72 N SER A 6 -13.312 7.590 1.460 1.00 0.00 N ATOM 73 CA SER A 6 -13.046 6.222 1.897 1.00 0.00 C ATOM 74 C SER A 6 -12.036 5.558 0.983 1.00 0.00 C ATOM 75 O SER A 6 -11.672 6.098 -0.062 1.00 0.00 O ATOM 76 CB SER A 6 -14.328 5.388 1.884 1.00 0.00 C ATOM 77 OG SER A 6 -14.117 4.192 2.620 1.00 0.00 O ATOM 0 H SER A 6 -14.028 7.676 0.738 1.00 0.00 H new ATOM 0 HA SER A 6 -12.652 6.274 2.912 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.150 5.956 2.319 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.612 5.152 0.858 1.00 0.00 H new ATOM 0 HG SER A 6 -13.687 4.405 3.474 1.00 0.00 H new ATOM 83 N LEU A 7 -11.597 4.376 1.377 1.00 0.00 N ATOM 84 CA LEU A 7 -10.637 3.635 0.583 1.00 0.00 C ATOM 85 C LEU A 7 -11.191 3.347 -0.807 1.00 0.00 C ATOM 86 O LEU A 7 -10.609 3.753 -1.807 1.00 0.00 O ATOM 87 CB LEU A 7 -10.296 2.314 1.271 1.00 0.00 C ATOM 88 CG LEU A 7 -9.586 2.591 2.596 1.00 0.00 C ATOM 89 CD1 LEU A 7 -9.856 1.440 3.561 1.00 0.00 C ATOM 90 CD2 LEU A 7 -8.078 2.712 2.360 1.00 0.00 C ATOM 0 H LEU A 7 -11.889 3.912 2.237 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.737 4.243 0.487 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -11.205 1.740 1.448 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.658 1.710 0.625 1.00 0.00 H new ATOM 0 HG LEU A 7 -9.960 3.523 3.019 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -9.352 1.633 4.508 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -10.929 1.353 3.733 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -9.481 0.511 3.133 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.576 2.909 3.307 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.700 1.781 1.936 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.883 3.531 1.668 1.00 0.00 H new ATOM 102 N HIS A 8 -12.318 2.645 -0.861 1.00 0.00 N ATOM 103 CA HIS A 8 -12.927 2.303 -2.147 1.00 0.00 C ATOM 104 C HIS A 8 -13.148 3.549 -2.989 1.00 0.00 C ATOM 105 O HIS A 8 -12.786 3.586 -4.164 1.00 0.00 O ATOM 106 CB HIS A 8 -14.261 1.590 -1.930 1.00 0.00 C ATOM 107 CG HIS A 8 -14.800 1.916 -0.563 1.00 0.00 C ATOM 108 ND1 HIS A 8 -14.499 1.424 0.683 1.00 0.00 N flip ATOM 109 CD2 HIS A 8 -15.794 2.861 -0.366 1.00 0.00 C flip ATOM 110 CE1 HIS A 8 -15.292 2.051 1.638 1.00 0.00 C flip ATOM 111 NE2 HIS A 8 -16.054 2.908 0.953 1.00 0.00 N flip ATOM 0 H HIS A 8 -12.824 2.305 -0.044 1.00 0.00 H new ATOM 0 HA HIS A 8 -12.244 1.638 -2.676 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -14.975 1.896 -2.694 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -14.128 0.513 -2.031 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -16.273 3.452 -1.132 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -15.292 1.881 2.705 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -16.748 3.523 1.378 1.00 0.00 H new ATOM 120 N GLU A 9 -13.740 4.566 -2.384 1.00 0.00 N ATOM 121 CA GLU A 9 -13.997 5.806 -3.096 1.00 0.00 C ATOM 122 C GLU A 9 -12.706 6.342 -3.704 1.00 0.00 C ATOM 123 O GLU A 9 -12.713 6.912 -4.794 1.00 0.00 O ATOM 124 CB GLU A 9 -14.588 6.842 -2.141 1.00 0.00 C ATOM 125 CG GLU A 9 -14.852 8.142 -2.899 1.00 0.00 C ATOM 126 CD GLU A 9 -16.232 8.681 -2.538 1.00 0.00 C ATOM 127 OE1 GLU A 9 -16.293 9.667 -1.824 1.00 0.00 O ATOM 128 OE2 GLU A 9 -17.207 8.097 -2.981 1.00 0.00 O ATOM 0 H GLU A 9 -14.049 4.558 -1.412 1.00 0.00 H new ATOM 0 HA GLU A 9 -14.709 5.609 -3.897 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -15.515 6.466 -1.708 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -13.901 7.024 -1.314 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -14.088 8.879 -2.652 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -14.790 7.966 -3.973 1.00 0.00 H new ATOM 135 N LYS A 10 -11.599 6.152 -2.993 1.00 0.00 N ATOM 136 CA LYS A 10 -10.307 6.622 -3.476 1.00 0.00 C ATOM 137 C LYS A 10 -9.877 5.850 -4.718 1.00 0.00 C ATOM 138 O LYS A 10 -9.632 6.442 -5.765 1.00 0.00 O ATOM 139 CB LYS A 10 -9.244 6.448 -2.386 1.00 0.00 C ATOM 140 CG LYS A 10 -7.981 7.243 -2.757 1.00 0.00 C ATOM 141 CD LYS A 10 -8.213 8.751 -2.584 1.00 0.00 C ATOM 142 CE LYS A 10 -6.886 9.426 -2.218 1.00 0.00 C ATOM 143 NZ LYS A 10 -5.771 8.756 -2.947 1.00 0.00 N ATOM 0 H LYS A 10 -11.571 5.680 -2.089 1.00 0.00 H new ATOM 0 HA LYS A 10 -10.407 7.677 -3.731 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -9.633 6.792 -1.428 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.999 5.392 -2.270 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -7.149 6.925 -2.130 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -7.702 7.030 -3.789 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.610 9.178 -3.505 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.953 8.930 -1.804 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.920 10.484 -2.477 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.720 9.366 -1.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.953 9.397 -2.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.501 7.886 -2.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.080 8.517 -3.911 1.00 0.00 H new ATOM 157 N LEU A 11 -9.785 4.527 -4.595 1.00 0.00 N ATOM 158 CA LEU A 11 -9.368 3.688 -5.721 1.00 0.00 C ATOM 159 C LEU A 11 -10.369 3.770 -6.863 1.00 0.00 C ATOM 160 O LEU A 11 -10.046 3.456 -8.009 1.00 0.00 O ATOM 161 CB LEU A 11 -9.228 2.229 -5.274 1.00 0.00 C ATOM 162 CG LEU A 11 -8.599 2.171 -3.883 1.00 0.00 C ATOM 163 CD1 LEU A 11 -8.229 0.727 -3.543 1.00 0.00 C ATOM 164 CD2 LEU A 11 -7.335 3.037 -3.850 1.00 0.00 C ATOM 0 H LEU A 11 -9.991 4.015 -3.737 1.00 0.00 H new ATOM 0 HA LEU A 11 -8.404 4.056 -6.071 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -10.206 1.748 -5.261 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.611 1.679 -5.985 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.317 2.545 -3.153 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -7.781 0.690 -2.550 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -9.126 0.108 -3.559 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.516 0.352 -4.277 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -6.890 2.993 -2.856 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.620 2.666 -4.585 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.595 4.069 -4.086 1.00 0.00 H new ATOM 176 N LYS A 12 -11.586 4.185 -6.546 1.00 0.00 N ATOM 177 CA LYS A 12 -12.627 4.294 -7.556 1.00 0.00 C ATOM 178 C LYS A 12 -12.558 5.638 -8.273 1.00 0.00 C ATOM 179 O LYS A 12 -12.761 5.712 -9.485 1.00 0.00 O ATOM 180 CB LYS A 12 -14.001 4.125 -6.905 1.00 0.00 C ATOM 181 CG LYS A 12 -14.273 2.649 -6.606 1.00 0.00 C ATOM 182 CD LYS A 12 -15.400 2.534 -5.576 1.00 0.00 C ATOM 183 CE LYS A 12 -15.593 1.067 -5.194 1.00 0.00 C ATOM 184 NZ LYS A 12 -16.723 0.950 -4.229 1.00 0.00 N ATOM 0 H LYS A 12 -11.876 4.450 -5.605 1.00 0.00 H new ATOM 0 HA LYS A 12 -12.472 3.505 -8.292 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -14.047 4.704 -5.982 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -14.774 4.517 -7.566 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -14.549 2.127 -7.522 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -13.370 2.172 -6.227 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -15.160 3.123 -4.691 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -16.325 2.939 -5.987 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -15.798 0.472 -6.084 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -14.679 0.672 -4.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -16.398 0.458 -3.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -17.062 1.900 -3.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -17.498 0.411 -4.665 1.00 0.00 H new ATOM 198 N GLN A 13 -12.278 6.697 -7.524 1.00 0.00 N ATOM 199 CA GLN A 13 -12.198 8.027 -8.107 1.00 0.00 C ATOM 200 C GLN A 13 -10.773 8.342 -8.560 1.00 0.00 C ATOM 201 O GLN A 13 -10.503 9.435 -9.058 1.00 0.00 O ATOM 202 CB GLN A 13 -12.666 9.062 -7.086 1.00 0.00 C ATOM 203 CG GLN A 13 -11.597 9.243 -6.008 1.00 0.00 C ATOM 204 CD GLN A 13 -12.237 9.715 -4.702 1.00 0.00 C ATOM 205 OE1 GLN A 13 -13.467 10.153 -4.704 1.00 0.00 O flip ATOM 206 NE2 GLN A 13 -11.596 9.685 -3.653 1.00 0.00 N flip ATOM 0 H GLN A 13 -12.104 6.660 -6.520 1.00 0.00 H new ATOM 0 HA GLN A 13 -12.845 8.062 -8.983 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -12.861 10.013 -7.581 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -13.603 8.741 -6.632 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -11.072 8.302 -5.845 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.854 9.968 -6.340 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -10.635 9.343 -3.652 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -12.025 10.002 -2.784 1.00 0.00 H new ATOM 215 N ASP A 14 -9.868 7.377 -8.390 1.00 0.00 N ATOM 216 CA ASP A 14 -8.479 7.555 -8.792 1.00 0.00 C ATOM 217 C ASP A 14 -8.114 6.582 -9.909 1.00 0.00 C ATOM 218 O ASP A 14 -7.853 5.407 -9.658 1.00 0.00 O ATOM 219 CB ASP A 14 -7.559 7.312 -7.603 1.00 0.00 C ATOM 220 CG ASP A 14 -7.712 8.434 -6.582 1.00 0.00 C ATOM 221 OD1 ASP A 14 -6.697 8.924 -6.115 1.00 0.00 O ATOM 222 OD2 ASP A 14 -8.840 8.788 -6.284 1.00 0.00 O ATOM 0 H ASP A 14 -10.075 6.467 -7.977 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.357 8.576 -9.152 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.796 6.354 -7.140 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -6.524 7.256 -7.940 1.00 0.00 H new ATOM 227 N LYS A 15 -8.091 7.079 -11.138 1.00 0.00 N ATOM 228 CA LYS A 15 -7.751 6.241 -12.281 1.00 0.00 C ATOM 229 C LYS A 15 -6.322 5.718 -12.155 1.00 0.00 C ATOM 230 O LYS A 15 -5.945 4.747 -12.810 1.00 0.00 O ATOM 231 CB LYS A 15 -7.890 7.044 -13.573 1.00 0.00 C ATOM 232 CG LYS A 15 -8.820 6.305 -14.535 1.00 0.00 C ATOM 233 CD LYS A 15 -8.923 7.086 -15.846 1.00 0.00 C ATOM 234 CE LYS A 15 -8.078 6.397 -16.919 1.00 0.00 C ATOM 235 NZ LYS A 15 -8.016 7.260 -18.132 1.00 0.00 N ATOM 0 H LYS A 15 -8.302 8.050 -11.369 1.00 0.00 H new ATOM 0 HA LYS A 15 -8.435 5.393 -12.304 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.287 8.036 -13.356 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.912 7.186 -14.033 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -8.440 5.301 -14.726 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -9.808 6.192 -14.088 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -9.963 7.142 -16.168 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.579 8.110 -15.699 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -7.073 6.210 -16.541 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.510 5.428 -17.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -7.442 6.792 -18.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.978 7.417 -18.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.585 8.174 -17.886 1.00 0.00 H new ATOM 249 N ARG A 16 -5.533 6.369 -11.309 1.00 0.00 N ATOM 250 CA ARG A 16 -4.148 5.960 -11.102 1.00 0.00 C ATOM 251 C ARG A 16 -4.090 4.551 -10.523 1.00 0.00 C ATOM 252 O ARG A 16 -3.091 3.847 -10.674 1.00 0.00 O ATOM 253 CB ARG A 16 -3.456 6.936 -10.150 1.00 0.00 C ATOM 254 CG ARG A 16 -3.718 8.370 -10.613 1.00 0.00 C ATOM 255 CD ARG A 16 -3.045 9.351 -9.650 1.00 0.00 C ATOM 256 NE ARG A 16 -2.482 10.479 -10.384 1.00 0.00 N ATOM 257 CZ ARG A 16 -2.128 11.597 -9.758 1.00 0.00 C ATOM 258 NH1 ARG A 16 -2.291 11.700 -8.467 1.00 0.00 N ATOM 259 NH2 ARG A 16 -1.611 12.588 -10.431 1.00 0.00 N ATOM 0 H ARG A 16 -5.825 7.177 -10.758 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.635 5.966 -12.064 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.828 6.796 -9.135 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.384 6.740 -10.127 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -3.332 8.513 -11.622 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -4.791 8.560 -10.651 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.771 9.710 -8.920 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.258 8.842 -9.093 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.358 10.409 -11.394 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.690 10.923 -7.940 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -2.020 12.557 -7.986 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.478 12.506 -11.439 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.340 13.445 -9.949 1.00 0.00 H new ATOM 273 N PHE A 17 -5.169 4.152 -9.855 1.00 0.00 N ATOM 274 CA PHE A 17 -5.243 2.827 -9.246 1.00 0.00 C ATOM 275 C PHE A 17 -6.380 2.010 -9.846 1.00 0.00 C ATOM 276 O PHE A 17 -6.927 1.118 -9.196 1.00 0.00 O ATOM 277 CB PHE A 17 -5.449 2.963 -7.737 1.00 0.00 C ATOM 278 CG PHE A 17 -4.641 4.128 -7.208 1.00 0.00 C ATOM 279 CD1 PHE A 17 -3.316 4.322 -7.626 1.00 0.00 C ATOM 280 CD2 PHE A 17 -5.220 5.014 -6.291 1.00 0.00 C ATOM 281 CE1 PHE A 17 -2.576 5.399 -7.123 1.00 0.00 C ATOM 282 CE2 PHE A 17 -4.480 6.090 -5.790 1.00 0.00 C ATOM 283 CZ PHE A 17 -3.157 6.284 -6.207 1.00 0.00 C ATOM 0 H PHE A 17 -6.002 4.725 -9.722 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.305 2.308 -9.445 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -6.506 3.114 -7.518 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.147 2.043 -7.236 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.867 3.642 -8.335 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.240 4.866 -5.970 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.555 5.547 -7.442 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.929 6.771 -5.082 1.00 0.00 H new ATOM 0 HZ PHE A 17 -2.586 7.116 -5.822 1.00 0.00 H new ATOM 293 N SER A 18 -6.724 2.306 -11.092 1.00 0.00 N ATOM 294 CA SER A 18 -7.788 1.580 -11.771 1.00 0.00 C ATOM 295 C SER A 18 -7.439 0.097 -11.870 1.00 0.00 C ATOM 296 O SER A 18 -8.285 -0.779 -11.652 1.00 0.00 O ATOM 297 CB SER A 18 -7.973 2.141 -13.179 1.00 0.00 C ATOM 298 OG SER A 18 -9.219 2.820 -13.256 1.00 0.00 O ATOM 0 H SER A 18 -6.285 3.039 -11.650 1.00 0.00 H new ATOM 0 HA SER A 18 -8.709 1.696 -11.199 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.158 2.824 -13.420 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.940 1.334 -13.911 1.00 0.00 H new ATOM 0 HG SER A 18 -9.339 3.182 -14.159 1.00 0.00 H new ATOM 304 N THR A 19 -6.182 -0.175 -12.199 1.00 0.00 N ATOM 305 CA THR A 19 -5.730 -1.551 -12.327 1.00 0.00 C ATOM 306 C THR A 19 -5.986 -2.306 -11.037 1.00 0.00 C ATOM 307 O THR A 19 -6.497 -3.428 -11.047 1.00 0.00 O ATOM 308 CB THR A 19 -4.237 -1.592 -12.643 1.00 0.00 C ATOM 309 OG1 THR A 19 -3.940 -0.647 -13.660 1.00 0.00 O ATOM 310 CG2 THR A 19 -3.861 -2.994 -13.120 1.00 0.00 C ATOM 0 H THR A 19 -5.467 0.530 -12.380 1.00 0.00 H new ATOM 0 HA THR A 19 -6.284 -2.020 -13.140 1.00 0.00 H new ATOM 0 HB THR A 19 -3.667 -1.346 -11.747 1.00 0.00 H new ATOM 0 HG1 THR A 19 -2.981 -0.673 -13.861 1.00 0.00 H new ATOM 0 HG21 THR A 19 -2.795 -3.028 -13.347 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.088 -3.718 -12.337 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.431 -3.238 -14.017 1.00 0.00 H new ATOM 318 N PHE A 20 -5.618 -1.680 -9.929 1.00 0.00 N ATOM 319 CA PHE A 20 -5.794 -2.289 -8.625 1.00 0.00 C ATOM 320 C PHE A 20 -7.256 -2.628 -8.393 1.00 0.00 C ATOM 321 O PHE A 20 -7.580 -3.701 -7.892 1.00 0.00 O ATOM 322 CB PHE A 20 -5.284 -1.346 -7.539 1.00 0.00 C ATOM 323 CG PHE A 20 -3.832 -0.944 -7.792 1.00 0.00 C ATOM 324 CD1 PHE A 20 -3.254 0.018 -6.957 1.00 0.00 C ATOM 325 CD2 PHE A 20 -3.056 -1.508 -8.840 1.00 0.00 C ATOM 326 CE1 PHE A 20 -1.931 0.424 -7.164 1.00 0.00 C ATOM 327 CE2 PHE A 20 -1.741 -1.096 -9.030 1.00 0.00 C ATOM 328 CZ PHE A 20 -1.179 -0.133 -8.199 1.00 0.00 C ATOM 0 H PHE A 20 -5.196 -0.751 -9.910 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.218 -3.214 -8.585 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.910 -0.454 -7.505 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -5.366 -1.830 -6.566 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.830 0.448 -6.151 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.487 -2.256 -9.489 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -1.490 1.171 -6.520 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -1.153 -1.526 -9.827 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.159 0.184 -8.355 1.00 0.00 H new ATOM 338 N LEU A 21 -8.139 -1.720 -8.781 1.00 0.00 N ATOM 339 CA LEU A 21 -9.564 -1.956 -8.620 1.00 0.00 C ATOM 340 C LEU A 21 -9.956 -3.252 -9.324 1.00 0.00 C ATOM 341 O LEU A 21 -10.731 -4.049 -8.796 1.00 0.00 O ATOM 342 CB LEU A 21 -10.355 -0.782 -9.214 1.00 0.00 C ATOM 343 CG LEU A 21 -11.636 -0.529 -8.406 1.00 0.00 C ATOM 344 CD1 LEU A 21 -12.458 0.534 -9.108 1.00 0.00 C ATOM 345 CD2 LEU A 21 -12.456 -1.820 -8.307 1.00 0.00 C ATOM 0 H LEU A 21 -7.897 -0.824 -9.204 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.795 -2.042 -7.558 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -9.737 0.116 -9.216 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.610 -0.996 -10.252 1.00 0.00 H new ATOM 0 HG LEU A 21 -11.372 -0.197 -7.402 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -13.370 0.721 -8.542 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.879 1.455 -9.178 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -12.716 0.191 -10.110 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -13.363 -1.632 -7.732 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -12.724 -2.158 -9.308 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -11.865 -2.589 -7.810 1.00 0.00 H new ATOM 357 N SER A 22 -9.411 -3.451 -10.524 1.00 0.00 N ATOM 358 CA SER A 22 -9.721 -4.650 -11.312 1.00 0.00 C ATOM 359 C SER A 22 -9.210 -5.936 -10.655 1.00 0.00 C ATOM 360 O SER A 22 -9.979 -6.854 -10.376 1.00 0.00 O ATOM 361 CB SER A 22 -9.102 -4.531 -12.708 1.00 0.00 C ATOM 362 OG SER A 22 -8.286 -5.669 -12.961 1.00 0.00 O ATOM 0 H SER A 22 -8.759 -2.806 -10.971 1.00 0.00 H new ATOM 0 HA SER A 22 -10.807 -4.713 -11.374 1.00 0.00 H new ATOM 0 HB2 SER A 22 -9.887 -4.458 -13.461 1.00 0.00 H new ATOM 0 HB3 SER A 22 -8.507 -3.620 -12.778 1.00 0.00 H new ATOM 0 HG SER A 22 -7.890 -5.596 -13.855 1.00 0.00 H new ATOM 368 N LEU A 23 -7.905 -6.004 -10.438 1.00 0.00 N ATOM 369 CA LEU A 23 -7.286 -7.197 -9.847 1.00 0.00 C ATOM 370 C LEU A 23 -7.764 -7.444 -8.419 1.00 0.00 C ATOM 371 O LEU A 23 -8.030 -8.588 -8.034 1.00 0.00 O ATOM 372 CB LEU A 23 -5.754 -7.062 -9.866 1.00 0.00 C ATOM 373 CG LEU A 23 -5.339 -5.728 -9.224 1.00 0.00 C ATOM 374 CD1 LEU A 23 -4.963 -5.941 -7.757 1.00 0.00 C ATOM 375 CD2 LEU A 23 -4.121 -5.143 -9.946 1.00 0.00 C ATOM 0 H LEU A 23 -7.250 -5.254 -10.659 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.589 -8.053 -10.451 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.300 -7.893 -9.325 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.388 -7.111 -10.892 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.184 -5.043 -9.301 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.671 -4.989 -7.314 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.819 -6.345 -7.217 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.130 -6.641 -7.693 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.840 -4.199 -9.479 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.288 -5.843 -9.879 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.367 -4.971 -10.994 1.00 0.00 H new ATOM 387 N LEU A 24 -7.858 -6.382 -7.624 1.00 0.00 N ATOM 388 CA LEU A 24 -8.286 -6.532 -6.237 1.00 0.00 C ATOM 389 C LEU A 24 -9.736 -6.967 -6.183 1.00 0.00 C ATOM 390 O LEU A 24 -10.143 -7.689 -5.275 1.00 0.00 O ATOM 391 CB LEU A 24 -8.072 -5.229 -5.454 1.00 0.00 C ATOM 392 CG LEU A 24 -9.297 -4.306 -5.575 1.00 0.00 C ATOM 393 CD1 LEU A 24 -10.407 -4.723 -4.604 1.00 0.00 C ATOM 394 CD2 LEU A 24 -8.875 -2.884 -5.225 1.00 0.00 C ATOM 0 H LEU A 24 -7.648 -5.425 -7.909 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.677 -7.304 -5.767 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.886 -5.457 -4.404 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.187 -4.716 -5.830 1.00 0.00 H new ATOM 0 HG LEU A 24 -9.675 -4.372 -6.595 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -11.258 -4.051 -4.714 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.719 -5.744 -4.825 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -10.034 -4.671 -3.581 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.735 -2.219 -5.307 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.492 -2.859 -4.205 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.096 -2.556 -5.913 1.00 0.00 H new ATOM 406 N GLU A 25 -10.511 -6.535 -7.168 1.00 0.00 N ATOM 407 CA GLU A 25 -11.913 -6.906 -7.230 1.00 0.00 C ATOM 408 C GLU A 25 -12.047 -8.386 -7.569 1.00 0.00 C ATOM 409 O GLU A 25 -12.954 -9.060 -7.084 1.00 0.00 O ATOM 410 CB GLU A 25 -12.613 -6.063 -8.295 1.00 0.00 C ATOM 411 CG GLU A 25 -13.916 -6.735 -8.707 1.00 0.00 C ATOM 412 CD GLU A 25 -14.852 -5.707 -9.331 1.00 0.00 C ATOM 413 OE1 GLU A 25 -14.358 -4.686 -9.784 1.00 0.00 O ATOM 414 OE2 GLU A 25 -16.046 -5.952 -9.346 1.00 0.00 O ATOM 0 H GLU A 25 -10.194 -5.933 -7.928 1.00 0.00 H new ATOM 0 HA GLU A 25 -12.377 -6.725 -6.261 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -12.814 -5.064 -7.908 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -11.964 -5.944 -9.163 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -13.714 -7.536 -9.419 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -14.390 -7.193 -7.839 1.00 0.00 H new ATOM 421 N ALA A 26 -11.136 -8.893 -8.395 1.00 0.00 N ATOM 422 CA ALA A 26 -11.167 -10.303 -8.775 1.00 0.00 C ATOM 423 C ALA A 26 -10.907 -11.188 -7.556 1.00 0.00 C ATOM 424 O ALA A 26 -11.534 -12.235 -7.394 1.00 0.00 O ATOM 425 CB ALA A 26 -10.111 -10.582 -9.846 1.00 0.00 C ATOM 0 H ALA A 26 -10.375 -8.356 -8.810 1.00 0.00 H new ATOM 0 HA ALA A 26 -12.155 -10.532 -9.175 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.143 -11.636 -10.122 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -10.314 -9.970 -10.725 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.123 -10.339 -9.455 1.00 0.00 H new ATOM 431 N ALA A 27 -9.982 -10.757 -6.701 1.00 0.00 N ATOM 432 CA ALA A 27 -9.659 -11.519 -5.495 1.00 0.00 C ATOM 433 C ALA A 27 -10.787 -11.396 -4.478 1.00 0.00 C ATOM 434 O ALA A 27 -10.815 -12.118 -3.482 1.00 0.00 O ATOM 435 CB ALA A 27 -8.362 -11.000 -4.872 1.00 0.00 C ATOM 0 H ALA A 27 -9.448 -9.895 -6.817 1.00 0.00 H new ATOM 0 HA ALA A 27 -9.533 -12.565 -5.773 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.133 -11.576 -3.975 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.547 -11.105 -5.588 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.480 -9.949 -4.608 1.00 0.00 H new ATOM 441 N ASP A 28 -11.710 -10.473 -4.737 1.00 0.00 N ATOM 442 CA ASP A 28 -12.840 -10.248 -3.841 1.00 0.00 C ATOM 443 C ASP A 28 -12.407 -9.468 -2.601 1.00 0.00 C ATOM 444 O ASP A 28 -12.839 -9.778 -1.490 1.00 0.00 O ATOM 445 CB ASP A 28 -13.468 -11.583 -3.417 1.00 0.00 C ATOM 446 CG ASP A 28 -13.394 -12.589 -4.562 1.00 0.00 C ATOM 447 OD1 ASP A 28 -13.112 -13.746 -4.291 1.00 0.00 O ATOM 448 OD2 ASP A 28 -13.621 -12.189 -5.691 1.00 0.00 O ATOM 0 H ASP A 28 -11.697 -9.870 -5.559 1.00 0.00 H new ATOM 0 HA ASP A 28 -13.582 -9.661 -4.383 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -12.948 -11.977 -2.544 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -14.507 -11.428 -3.126 1.00 0.00 H new ATOM 453 N LEU A 29 -11.557 -8.452 -2.794 1.00 0.00 N ATOM 454 CA LEU A 29 -11.089 -7.639 -1.672 1.00 0.00 C ATOM 455 C LEU A 29 -11.822 -6.305 -1.651 1.00 0.00 C ATOM 456 O LEU A 29 -11.708 -5.534 -0.708 1.00 0.00 O ATOM 457 CB LEU A 29 -9.574 -7.394 -1.745 1.00 0.00 C ATOM 458 CG LEU A 29 -8.810 -8.617 -1.206 1.00 0.00 C ATOM 459 CD1 LEU A 29 -8.873 -8.674 0.320 1.00 0.00 C ATOM 460 CD2 LEU A 29 -9.415 -9.903 -1.762 1.00 0.00 C ATOM 0 H LEU A 29 -11.185 -8.178 -3.704 1.00 0.00 H new ATOM 0 HA LEU A 29 -11.300 -8.189 -0.755 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.279 -7.198 -2.776 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -9.313 -6.509 -1.165 1.00 0.00 H new ATOM 0 HG LEU A 29 -7.771 -8.522 -1.522 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -8.325 -9.547 0.674 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -8.426 -7.772 0.737 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -9.913 -8.744 0.639 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -8.866 -10.761 -1.374 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -10.460 -9.974 -1.460 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -9.352 -9.894 -2.850 1.00 0.00 H new ATOM 472 N LYS A 30 -12.583 -6.047 -2.699 1.00 0.00 N ATOM 473 CA LYS A 30 -13.348 -4.810 -2.790 1.00 0.00 C ATOM 474 C LYS A 30 -14.161 -4.594 -1.519 1.00 0.00 C ATOM 475 O LYS A 30 -14.392 -3.457 -1.108 1.00 0.00 O ATOM 476 CB LYS A 30 -14.277 -4.831 -4.024 1.00 0.00 C ATOM 477 CG LYS A 30 -14.845 -6.244 -4.300 1.00 0.00 C ATOM 478 CD LYS A 30 -16.180 -6.417 -3.574 1.00 0.00 C ATOM 479 CE LYS A 30 -16.442 -7.905 -3.313 1.00 0.00 C ATOM 480 NZ LYS A 30 -16.414 -8.652 -4.604 1.00 0.00 N ATOM 0 H LYS A 30 -12.690 -6.673 -3.498 1.00 0.00 H new ATOM 0 HA LYS A 30 -12.648 -3.982 -2.902 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -15.100 -4.133 -3.870 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -13.726 -4.485 -4.898 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -14.982 -6.388 -5.372 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -14.137 -7.002 -3.965 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -16.165 -5.870 -2.631 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -16.987 -5.996 -4.173 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -15.688 -8.304 -2.634 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -17.409 -8.035 -2.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -16.819 -9.600 -4.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -16.972 -8.137 -5.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -15.431 -8.740 -4.933 1.00 0.00 H new ATOM 494 N GLU A 31 -14.581 -5.688 -0.896 1.00 0.00 N ATOM 495 CA GLU A 31 -15.358 -5.605 0.336 1.00 0.00 C ATOM 496 C GLU A 31 -14.429 -5.451 1.541 1.00 0.00 C ATOM 497 O GLU A 31 -14.835 -4.973 2.599 1.00 0.00 O ATOM 498 CB GLU A 31 -16.212 -6.866 0.500 1.00 0.00 C ATOM 499 CG GLU A 31 -17.621 -6.640 -0.073 1.00 0.00 C ATOM 500 CD GLU A 31 -18.594 -6.287 1.049 1.00 0.00 C ATOM 501 OE1 GLU A 31 -19.600 -6.966 1.167 1.00 0.00 O ATOM 502 OE2 GLU A 31 -18.319 -5.344 1.773 1.00 0.00 O ATOM 0 H GLU A 31 -14.399 -6.638 -1.220 1.00 0.00 H new ATOM 0 HA GLU A 31 -16.010 -4.733 0.279 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -15.736 -7.704 -0.009 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -16.280 -7.132 1.555 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -17.598 -5.838 -0.810 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -17.960 -7.538 -0.590 1.00 0.00 H new ATOM 509 N LEU A 32 -13.176 -5.860 1.376 1.00 0.00 N ATOM 510 CA LEU A 32 -12.203 -5.763 2.451 1.00 0.00 C ATOM 511 C LEU A 32 -11.856 -4.300 2.727 1.00 0.00 C ATOM 512 O LEU A 32 -11.648 -3.896 3.870 1.00 0.00 O ATOM 513 CB LEU A 32 -10.945 -6.545 2.067 1.00 0.00 C ATOM 514 CG LEU A 32 -9.868 -6.317 3.129 1.00 0.00 C ATOM 515 CD1 LEU A 32 -9.135 -7.612 3.492 1.00 0.00 C ATOM 516 CD2 LEU A 32 -8.829 -5.325 2.610 1.00 0.00 C ATOM 0 H LEU A 32 -12.814 -6.260 0.511 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.629 -6.188 3.360 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.173 -7.608 1.986 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.585 -6.221 1.091 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.374 -5.933 4.015 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.380 -7.402 4.249 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.849 -8.337 3.883 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.654 -8.019 2.603 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.065 -5.167 3.371 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.365 -5.723 1.707 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.314 -4.376 2.381 1.00 0.00 H new ATOM 528 N LEU A 33 -11.774 -3.520 1.665 1.00 0.00 N ATOM 529 CA LEU A 33 -11.436 -2.100 1.777 1.00 0.00 C ATOM 530 C LEU A 33 -12.463 -1.336 2.605 1.00 0.00 C ATOM 531 O LEU A 33 -12.155 -0.284 3.163 1.00 0.00 O ATOM 532 CB LEU A 33 -11.366 -1.449 0.393 1.00 0.00 C ATOM 533 CG LEU A 33 -10.985 -2.482 -0.666 1.00 0.00 C ATOM 534 CD1 LEU A 33 -10.765 -1.780 -2.009 1.00 0.00 C ATOM 535 CD2 LEU A 33 -9.701 -3.196 -0.249 1.00 0.00 C ATOM 0 H LEU A 33 -11.936 -3.840 0.710 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.466 -2.051 2.271 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -12.330 -1.004 0.145 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -10.634 -0.641 0.401 1.00 0.00 H new ATOM 0 HG LEU A 33 -11.789 -3.212 -0.764 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.493 -2.517 -2.765 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -11.682 -1.274 -2.309 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.963 -1.049 -1.910 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.432 -3.932 -1.006 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.896 -2.468 -0.148 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.858 -3.698 0.706 1.00 0.00 H new ATOM 547 N THR A 34 -13.680 -1.856 2.679 1.00 0.00 N ATOM 548 CA THR A 34 -14.727 -1.185 3.441 1.00 0.00 C ATOM 549 C THR A 34 -14.868 -1.823 4.807 1.00 0.00 C ATOM 550 O THR A 34 -15.401 -1.215 5.734 1.00 0.00 O ATOM 551 CB THR A 34 -16.070 -1.248 2.705 1.00 0.00 C ATOM 552 OG1 THR A 34 -17.110 -0.873 3.598 1.00 0.00 O ATOM 553 CG2 THR A 34 -16.319 -2.667 2.208 1.00 0.00 C ATOM 0 H THR A 34 -13.965 -2.726 2.229 1.00 0.00 H new ATOM 0 HA THR A 34 -14.442 -0.139 3.555 1.00 0.00 H new ATOM 0 HB THR A 34 -16.049 -0.567 1.854 1.00 0.00 H new ATOM 0 HG1 THR A 34 -17.971 -0.910 3.131 1.00 0.00 H new ATOM 0 HG21 THR A 34 -17.275 -2.707 1.685 1.00 0.00 H new ATOM 0 HG22 THR A 34 -15.520 -2.959 1.526 1.00 0.00 H new ATOM 0 HG23 THR A 34 -16.340 -3.351 3.056 1.00 0.00 H new ATOM 561 N GLN A 35 -14.387 -3.055 4.928 1.00 0.00 N ATOM 562 CA GLN A 35 -14.476 -3.754 6.198 1.00 0.00 C ATOM 563 C GLN A 35 -13.914 -2.875 7.326 1.00 0.00 C ATOM 564 O GLN A 35 -12.713 -2.615 7.357 1.00 0.00 O ATOM 565 CB GLN A 35 -13.684 -5.061 6.138 1.00 0.00 C ATOM 566 CG GLN A 35 -14.645 -6.252 6.070 1.00 0.00 C ATOM 567 CD GLN A 35 -15.443 -6.236 4.769 1.00 0.00 C ATOM 568 OE1 GLN A 35 -15.177 -7.036 3.872 1.00 0.00 O ATOM 569 NE2 GLN A 35 -16.415 -5.377 4.608 1.00 0.00 N ATOM 0 H GLN A 35 -13.940 -3.580 4.176 1.00 0.00 H new ATOM 0 HA GLN A 35 -15.525 -3.975 6.397 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -13.030 -5.060 5.266 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -13.044 -5.149 7.016 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -14.083 -7.183 6.145 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -15.327 -6.223 6.920 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -16.637 -4.713 5.350 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -16.951 -5.370 3.740 1.00 0.00 H new ATOM 578 N PRO A 36 -14.739 -2.409 8.243 1.00 0.00 N ATOM 579 CA PRO A 36 -14.270 -1.542 9.367 1.00 0.00 C ATOM 580 C PRO A 36 -12.950 -2.014 9.976 1.00 0.00 C ATOM 581 O PRO A 36 -12.755 -3.205 10.216 1.00 0.00 O ATOM 582 CB PRO A 36 -15.406 -1.652 10.384 1.00 0.00 C ATOM 583 CG PRO A 36 -16.635 -1.855 9.563 1.00 0.00 C ATOM 584 CD PRO A 36 -16.201 -2.635 8.323 1.00 0.00 C ATOM 0 HA PRO A 36 -14.065 -0.524 9.036 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -15.245 -2.485 11.068 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -15.481 -0.751 10.992 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -17.390 -2.406 10.124 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -17.079 -0.899 9.285 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -16.435 -3.695 8.418 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -16.709 -2.275 7.428 1.00 0.00 H new ATOM 592 N GLY A 37 -12.049 -1.063 10.230 1.00 0.00 N ATOM 593 CA GLY A 37 -10.752 -1.384 10.820 1.00 0.00 C ATOM 594 C GLY A 37 -9.676 -0.406 10.352 1.00 0.00 C ATOM 595 O GLY A 37 -9.605 -0.065 9.171 1.00 0.00 O ATOM 0 H GLY A 37 -12.194 -0.072 10.037 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.826 -1.354 11.907 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -10.467 -2.400 10.548 1.00 0.00 H new ATOM 599 N ASP A 38 -8.844 0.048 11.289 1.00 0.00 N ATOM 600 CA ASP A 38 -7.780 0.998 10.965 1.00 0.00 C ATOM 601 C ASP A 38 -6.453 0.280 10.708 1.00 0.00 C ATOM 602 O ASP A 38 -5.951 -0.465 11.557 1.00 0.00 O ATOM 603 CB ASP A 38 -7.609 1.998 12.108 1.00 0.00 C ATOM 604 CG ASP A 38 -8.852 1.994 12.990 1.00 0.00 C ATOM 605 OD1 ASP A 38 -9.695 2.854 12.795 1.00 0.00 O ATOM 606 OD2 ASP A 38 -8.944 1.130 13.847 1.00 0.00 O ATOM 0 H ASP A 38 -8.885 -0.224 12.271 1.00 0.00 H new ATOM 0 HA ASP A 38 -8.066 1.525 10.055 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.731 1.740 12.700 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -7.440 2.997 11.707 1.00 0.00 H new ATOM 611 N TRP A 39 -5.895 0.511 9.524 1.00 0.00 N ATOM 612 CA TRP A 39 -4.634 -0.112 9.143 1.00 0.00 C ATOM 613 C TRP A 39 -3.887 0.740 8.123 1.00 0.00 C ATOM 614 O TRP A 39 -4.422 1.728 7.601 1.00 0.00 O ATOM 615 CB TRP A 39 -4.878 -1.493 8.546 1.00 0.00 C ATOM 616 CG TRP A 39 -6.340 -1.721 8.377 1.00 0.00 C ATOM 617 CD1 TRP A 39 -7.179 -2.157 9.342 1.00 0.00 C ATOM 618 CD2 TRP A 39 -7.148 -1.539 7.181 1.00 0.00 C ATOM 619 NE1 TRP A 39 -8.452 -2.256 8.813 1.00 0.00 N ATOM 620 CE2 TRP A 39 -8.484 -1.884 7.483 1.00 0.00 C ATOM 621 CE3 TRP A 39 -6.852 -1.113 5.875 1.00 0.00 C ATOM 622 CZ2 TRP A 39 -9.492 -1.807 6.524 1.00 0.00 C ATOM 623 CZ3 TRP A 39 -7.864 -1.034 4.906 1.00 0.00 C ATOM 624 CH2 TRP A 39 -9.182 -1.382 5.230 1.00 0.00 C ATOM 0 H TRP A 39 -6.296 1.124 8.814 1.00 0.00 H new ATOM 0 HA TRP A 39 -4.029 -0.203 10.045 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -4.374 -1.577 7.583 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -4.454 -2.259 9.195 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -6.901 -2.390 10.359 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -9.268 -2.566 9.340 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -5.839 -0.845 5.615 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -10.507 -2.074 6.780 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -7.626 -0.703 3.906 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -9.957 -1.322 4.480 1.00 0.00 H new ATOM 635 N THR A 40 -2.650 0.334 7.837 1.00 0.00 N ATOM 636 CA THR A 40 -1.824 1.040 6.866 1.00 0.00 C ATOM 637 C THR A 40 -1.690 0.214 5.588 1.00 0.00 C ATOM 638 O THR A 40 -1.337 -0.965 5.635 1.00 0.00 O ATOM 639 CB THR A 40 -0.435 1.325 7.447 1.00 0.00 C ATOM 640 OG1 THR A 40 -0.573 1.998 8.691 1.00 0.00 O ATOM 641 CG2 THR A 40 0.356 2.205 6.476 1.00 0.00 C ATOM 0 H THR A 40 -2.202 -0.477 8.264 1.00 0.00 H new ATOM 0 HA THR A 40 -2.307 1.988 6.630 1.00 0.00 H new ATOM 0 HB THR A 40 0.096 0.385 7.598 1.00 0.00 H new ATOM 0 HG1 THR A 40 0.182 1.769 9.272 1.00 0.00 H new ATOM 0 HG21 THR A 40 1.344 2.407 6.890 1.00 0.00 H new ATOM 0 HG22 THR A 40 0.461 1.690 5.521 1.00 0.00 H new ATOM 0 HG23 THR A 40 -0.173 3.146 6.324 1.00 0.00 H new ATOM 649 N LEU A 41 -1.978 0.844 4.452 1.00 0.00 N ATOM 650 CA LEU A 41 -1.894 0.169 3.159 1.00 0.00 C ATOM 651 C LEU A 41 -0.936 0.915 2.235 1.00 0.00 C ATOM 652 O LEU A 41 -0.928 2.146 2.205 1.00 0.00 O ATOM 653 CB LEU A 41 -3.288 0.103 2.519 1.00 0.00 C ATOM 654 CG LEU A 41 -3.606 1.431 1.810 1.00 0.00 C ATOM 655 CD1 LEU A 41 -3.002 1.461 0.399 1.00 0.00 C ATOM 656 CD2 LEU A 41 -5.117 1.597 1.687 1.00 0.00 C ATOM 0 H LEU A 41 -2.271 1.820 4.400 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.518 -0.843 3.312 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.330 -0.719 1.805 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.039 -0.099 3.283 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.177 2.239 2.403 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.242 2.411 -0.079 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.920 1.351 0.464 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.415 0.643 -0.191 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.340 2.538 1.185 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.528 0.770 1.108 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.565 1.601 2.681 1.00 0.00 H new ATOM 668 N PHE A 42 -0.144 0.163 1.472 1.00 0.00 N ATOM 669 CA PHE A 42 0.805 0.771 0.545 1.00 0.00 C ATOM 670 C PHE A 42 0.298 0.660 -0.887 1.00 0.00 C ATOM 671 O PHE A 42 0.317 -0.417 -1.476 1.00 0.00 O ATOM 672 CB PHE A 42 2.163 0.082 0.672 1.00 0.00 C ATOM 673 CG PHE A 42 2.953 0.750 1.768 1.00 0.00 C ATOM 674 CD1 PHE A 42 2.406 0.861 3.054 1.00 0.00 C ATOM 675 CD2 PHE A 42 4.223 1.270 1.503 1.00 0.00 C ATOM 676 CE1 PHE A 42 3.130 1.489 4.070 1.00 0.00 C ATOM 677 CE2 PHE A 42 4.945 1.897 2.523 1.00 0.00 C ATOM 678 CZ PHE A 42 4.398 2.008 3.804 1.00 0.00 C ATOM 0 H PHE A 42 -0.141 -0.857 1.478 1.00 0.00 H new ATOM 0 HA PHE A 42 0.911 1.827 0.794 1.00 0.00 H new ATOM 0 HB2 PHE A 42 2.029 -0.976 0.896 1.00 0.00 H new ATOM 0 HB3 PHE A 42 2.705 0.141 -0.272 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.424 0.461 3.259 1.00 0.00 H new ATOM 0 HD2 PHE A 42 4.646 1.188 0.513 1.00 0.00 H new ATOM 0 HE1 PHE A 42 2.709 1.573 5.061 1.00 0.00 H new ATOM 0 HE2 PHE A 42 5.928 2.296 2.320 1.00 0.00 H new ATOM 0 HZ PHE A 42 4.957 2.496 4.589 1.00 0.00 H new ATOM 688 N VAL A 43 -0.164 1.779 -1.441 1.00 0.00 N ATOM 689 CA VAL A 43 -0.686 1.783 -2.797 1.00 0.00 C ATOM 690 C VAL A 43 0.328 2.395 -3.779 1.00 0.00 C ATOM 691 O VAL A 43 0.547 3.607 -3.759 1.00 0.00 O ATOM 692 CB VAL A 43 -2.013 2.558 -2.835 1.00 0.00 C ATOM 693 CG1 VAL A 43 -1.871 3.952 -2.243 1.00 0.00 C ATOM 694 CG2 VAL A 43 -2.486 2.673 -4.269 1.00 0.00 C ATOM 0 H VAL A 43 -0.186 2.685 -0.973 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.864 0.753 -3.107 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.738 2.008 -2.235 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.831 4.466 -2.289 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.550 3.875 -1.204 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.130 4.515 -2.811 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.427 3.222 -4.299 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.737 3.203 -4.858 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.634 1.676 -4.684 1.00 0.00 H new ATOM 704 N PRO A 44 0.959 1.595 -4.629 1.00 0.00 N ATOM 705 CA PRO A 44 1.961 2.110 -5.611 1.00 0.00 C ATOM 706 C PRO A 44 1.306 2.769 -6.824 1.00 0.00 C ATOM 707 O PRO A 44 0.216 2.393 -7.232 1.00 0.00 O ATOM 708 CB PRO A 44 2.743 0.861 -6.017 1.00 0.00 C ATOM 709 CG PRO A 44 1.816 -0.288 -5.819 1.00 0.00 C ATOM 710 CD PRO A 44 0.799 0.126 -4.754 1.00 0.00 C ATOM 0 HA PRO A 44 2.589 2.890 -5.181 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.068 0.925 -7.055 1.00 0.00 H new ATOM 0 HB3 PRO A 44 3.640 0.748 -5.408 1.00 0.00 H new ATOM 0 HG2 PRO A 44 1.313 -0.541 -6.752 1.00 0.00 H new ATOM 0 HG3 PRO A 44 2.365 -1.175 -5.502 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -0.216 -0.138 -5.052 1.00 0.00 H new ATOM 0 HD3 PRO A 44 0.993 -0.375 -3.806 1.00 0.00 H new ATOM 718 N THR A 45 1.970 3.768 -7.393 1.00 0.00 N ATOM 719 CA THR A 45 1.408 4.470 -8.545 1.00 0.00 C ATOM 720 C THR A 45 1.711 3.746 -9.857 1.00 0.00 C ATOM 721 O THR A 45 2.440 2.754 -9.894 1.00 0.00 O ATOM 722 CB THR A 45 1.957 5.895 -8.603 1.00 0.00 C ATOM 723 OG1 THR A 45 3.293 5.911 -8.123 1.00 0.00 O ATOM 724 CG2 THR A 45 1.089 6.803 -7.733 1.00 0.00 C ATOM 0 H THR A 45 2.881 4.107 -7.085 1.00 0.00 H new ATOM 0 HA THR A 45 0.325 4.495 -8.421 1.00 0.00 H new ATOM 0 HB THR A 45 1.942 6.251 -9.633 1.00 0.00 H new ATOM 0 HG1 THR A 45 3.644 6.825 -8.162 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.476 7.821 -7.771 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.064 6.791 -8.104 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.107 6.446 -6.703 1.00 0.00 H new ATOM 732 N ASN A 46 1.137 4.245 -10.940 1.00 0.00 N ATOM 733 CA ASN A 46 1.353 3.630 -12.238 1.00 0.00 C ATOM 734 C ASN A 46 2.845 3.555 -12.549 1.00 0.00 C ATOM 735 O ASN A 46 3.310 2.610 -13.185 1.00 0.00 O ATOM 736 CB ASN A 46 0.643 4.432 -13.329 1.00 0.00 C ATOM 737 CG ASN A 46 1.650 5.308 -14.066 1.00 0.00 C ATOM 738 OD1 ASN A 46 1.801 6.487 -13.741 1.00 0.00 O ATOM 739 ND2 ASN A 46 2.353 4.803 -15.043 1.00 0.00 N ATOM 0 H ASN A 46 0.527 5.062 -10.947 1.00 0.00 H new ATOM 0 HA ASN A 46 0.943 2.620 -12.211 1.00 0.00 H new ATOM 0 HB2 ASN A 46 0.154 3.756 -14.030 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -0.137 5.052 -12.888 1.00 0.00 H new ATOM 0 HD21 ASN A 46 3.029 5.384 -15.539 1.00 0.00 H new ATOM 0 HD22 ASN A 46 2.227 3.827 -15.311 1.00 0.00 H new ATOM 746 N ASP A 47 3.587 4.563 -12.098 1.00 0.00 N ATOM 747 CA ASP A 47 5.025 4.611 -12.335 1.00 0.00 C ATOM 748 C ASP A 47 5.719 3.404 -11.720 1.00 0.00 C ATOM 749 O ASP A 47 6.817 3.025 -12.128 1.00 0.00 O ATOM 750 CB ASP A 47 5.611 5.891 -11.739 1.00 0.00 C ATOM 751 CG ASP A 47 7.108 5.956 -12.023 1.00 0.00 C ATOM 752 OD1 ASP A 47 7.838 5.180 -11.427 1.00 0.00 O ATOM 753 OD2 ASP A 47 7.503 6.780 -12.832 1.00 0.00 O ATOM 0 H ASP A 47 3.218 5.353 -11.569 1.00 0.00 H new ATOM 0 HA ASP A 47 5.190 4.598 -13.412 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.113 6.762 -12.164 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.434 5.916 -10.664 1.00 0.00 H new ATOM 758 N ALA A 48 5.064 2.812 -10.741 1.00 0.00 N ATOM 759 CA ALA A 48 5.596 1.645 -10.056 1.00 0.00 C ATOM 760 C ALA A 48 5.132 0.371 -10.743 1.00 0.00 C ATOM 761 O ALA A 48 5.714 -0.697 -10.551 1.00 0.00 O ATOM 762 CB ALA A 48 5.107 1.638 -8.622 1.00 0.00 C ATOM 0 H ALA A 48 4.155 3.121 -10.398 1.00 0.00 H new ATOM 0 HA ALA A 48 6.685 1.689 -10.082 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.505 0.764 -8.106 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.446 2.543 -8.117 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.018 1.602 -8.609 1.00 0.00 H new ATOM 768 N PHE A 49 4.067 0.493 -11.532 1.00 0.00 N ATOM 769 CA PHE A 49 3.518 -0.666 -12.236 1.00 0.00 C ATOM 770 C PHE A 49 3.794 -0.563 -13.733 1.00 0.00 C ATOM 771 O PHE A 49 3.434 -1.450 -14.511 1.00 0.00 O ATOM 772 CB PHE A 49 2.005 -0.770 -11.983 1.00 0.00 C ATOM 773 CG PHE A 49 1.277 -1.027 -13.283 1.00 0.00 C ATOM 774 CD1 PHE A 49 0.982 0.037 -14.142 1.00 0.00 C ATOM 775 CD2 PHE A 49 0.912 -2.334 -13.637 1.00 0.00 C ATOM 776 CE1 PHE A 49 0.315 -0.200 -15.350 1.00 0.00 C ATOM 777 CE2 PHE A 49 0.245 -2.570 -14.847 1.00 0.00 C ATOM 778 CZ PHE A 49 -0.051 -1.504 -15.704 1.00 0.00 C ATOM 0 H PHE A 49 3.572 1.369 -11.699 1.00 0.00 H new ATOM 0 HA PHE A 49 4.003 -1.565 -11.855 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.801 -1.576 -11.278 1.00 0.00 H new ATOM 0 HB3 PHE A 49 1.640 0.151 -11.529 1.00 0.00 H new ATOM 0 HD1 PHE A 49 1.269 1.043 -13.873 1.00 0.00 H new ATOM 0 HD2 PHE A 49 1.145 -3.158 -12.978 1.00 0.00 H new ATOM 0 HE1 PHE A 49 0.083 0.624 -16.009 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -0.041 -3.576 -15.118 1.00 0.00 H new ATOM 0 HZ PHE A 49 -0.561 -1.687 -16.638 1.00 0.00 H new ATOM 788 N LYS A 50 4.449 0.522 -14.123 1.00 0.00 N ATOM 789 CA LYS A 50 4.773 0.748 -15.530 1.00 0.00 C ATOM 790 C LYS A 50 5.154 -0.559 -16.206 1.00 0.00 C ATOM 791 O LYS A 50 6.245 -1.079 -15.977 1.00 0.00 O ATOM 792 CB LYS A 50 5.953 1.716 -15.623 1.00 0.00 C ATOM 793 CG LYS A 50 5.463 3.095 -16.082 1.00 0.00 C ATOM 794 CD LYS A 50 6.537 4.161 -15.814 1.00 0.00 C ATOM 795 CE LYS A 50 7.242 4.541 -17.122 1.00 0.00 C ATOM 796 NZ LYS A 50 7.956 3.356 -17.684 1.00 0.00 N ATOM 0 H LYS A 50 4.766 1.257 -13.491 1.00 0.00 H new ATOM 0 HA LYS A 50 3.898 1.165 -16.029 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.444 1.799 -14.653 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.695 1.332 -16.324 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.225 3.068 -17.145 1.00 0.00 H new ATOM 0 HG3 LYS A 50 4.544 3.355 -15.557 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.080 5.045 -15.368 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.265 3.782 -15.096 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.513 4.911 -17.843 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.950 5.350 -16.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.578 3.661 -18.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.526 2.909 -16.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.261 2.672 -18.046 1.00 0.00 H new ATOM 810 N GLY A 51 4.237 -1.065 -17.040 1.00 0.00 N ATOM 811 CA GLY A 51 4.442 -2.317 -17.775 1.00 0.00 C ATOM 812 C GLY A 51 5.599 -3.133 -17.210 1.00 0.00 C ATOM 813 O GLY A 51 6.715 -3.092 -17.730 1.00 0.00 O ATOM 0 H GLY A 51 3.337 -0.620 -17.223 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.529 -2.911 -17.739 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.636 -2.093 -18.824 1.00 0.00 H new ATOM 817 N MET A 52 5.325 -3.870 -16.142 1.00 0.00 N ATOM 818 CA MET A 52 6.336 -4.691 -15.509 1.00 0.00 C ATOM 819 C MET A 52 6.718 -5.836 -16.426 1.00 0.00 C ATOM 820 O MET A 52 5.945 -6.244 -17.294 1.00 0.00 O ATOM 821 CB MET A 52 5.825 -5.232 -14.171 1.00 0.00 C ATOM 822 CG MET A 52 4.298 -5.319 -14.182 1.00 0.00 C ATOM 823 SD MET A 52 3.736 -6.265 -12.740 1.00 0.00 S ATOM 824 CE MET A 52 3.949 -4.965 -11.496 1.00 0.00 C ATOM 0 H MET A 52 4.407 -3.913 -15.699 1.00 0.00 H new ATOM 0 HA MET A 52 7.218 -4.079 -15.319 1.00 0.00 H new ATOM 0 HB2 MET A 52 6.251 -6.218 -13.983 1.00 0.00 H new ATOM 0 HB3 MET A 52 6.153 -4.583 -13.359 1.00 0.00 H new ATOM 0 HG2 MET A 52 3.866 -4.318 -14.165 1.00 0.00 H new ATOM 0 HG3 MET A 52 3.957 -5.798 -15.100 1.00 0.00 H new ATOM 0 HE1 MET A 52 3.373 -5.216 -10.605 1.00 0.00 H new ATOM 0 HE2 MET A 52 5.004 -4.881 -11.234 1.00 0.00 H new ATOM 0 HE3 MET A 52 3.598 -4.015 -11.899 1.00 0.00 H new ATOM 834 N THR A 53 7.924 -6.335 -16.240 1.00 0.00 N ATOM 835 CA THR A 53 8.424 -7.418 -17.063 1.00 0.00 C ATOM 836 C THR A 53 7.477 -8.597 -17.010 1.00 0.00 C ATOM 837 O THR A 53 6.881 -8.875 -15.971 1.00 0.00 O ATOM 838 CB THR A 53 9.807 -7.832 -16.591 1.00 0.00 C ATOM 839 OG1 THR A 53 9.688 -8.871 -15.628 1.00 0.00 O ATOM 840 CG2 THR A 53 10.485 -6.620 -15.968 1.00 0.00 C ATOM 0 H THR A 53 8.575 -6.008 -15.527 1.00 0.00 H new ATOM 0 HA THR A 53 8.492 -7.074 -18.095 1.00 0.00 H new ATOM 0 HB THR A 53 10.400 -8.197 -17.429 1.00 0.00 H new ATOM 0 HG1 THR A 53 10.580 -9.139 -15.324 1.00 0.00 H new ATOM 0 HG21 THR A 53 11.481 -6.898 -15.622 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.567 -5.827 -16.711 1.00 0.00 H new ATOM 0 HG23 THR A 53 9.894 -6.266 -15.124 1.00 0.00 H new ATOM 848 N SER A 54 7.339 -9.273 -18.137 1.00 0.00 N ATOM 849 CA SER A 54 6.449 -10.420 -18.218 1.00 0.00 C ATOM 850 C SER A 54 6.710 -11.376 -17.066 1.00 0.00 C ATOM 851 O SER A 54 5.799 -12.051 -16.587 1.00 0.00 O ATOM 852 CB SER A 54 6.652 -11.145 -19.547 1.00 0.00 C ATOM 853 OG SER A 54 5.991 -12.401 -19.498 1.00 0.00 O ATOM 0 H SER A 54 7.828 -9.050 -19.004 1.00 0.00 H new ATOM 0 HA SER A 54 5.420 -10.066 -18.155 1.00 0.00 H new ATOM 0 HB2 SER A 54 6.258 -10.545 -20.367 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.716 -11.287 -19.739 1.00 0.00 H new ATOM 0 HG SER A 54 6.117 -12.870 -20.349 1.00 0.00 H new ATOM 859 N GLU A 55 7.958 -11.426 -16.616 1.00 0.00 N ATOM 860 CA GLU A 55 8.323 -12.302 -15.516 1.00 0.00 C ATOM 861 C GLU A 55 7.870 -11.702 -14.187 1.00 0.00 C ATOM 862 O GLU A 55 7.486 -12.425 -13.268 1.00 0.00 O ATOM 863 CB GLU A 55 9.839 -12.514 -15.498 1.00 0.00 C ATOM 864 CG GLU A 55 10.201 -13.616 -14.498 1.00 0.00 C ATOM 865 CD GLU A 55 10.995 -14.713 -15.199 1.00 0.00 C ATOM 866 OE1 GLU A 55 10.585 -15.859 -15.116 1.00 0.00 O ATOM 867 OE2 GLU A 55 12.001 -14.390 -15.811 1.00 0.00 O ATOM 0 H GLU A 55 8.727 -10.874 -16.994 1.00 0.00 H new ATOM 0 HA GLU A 55 7.827 -13.263 -15.656 1.00 0.00 H new ATOM 0 HB2 GLU A 55 10.188 -12.786 -16.494 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.341 -11.586 -15.226 1.00 0.00 H new ATOM 0 HG2 GLU A 55 10.787 -13.198 -13.679 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.294 -14.034 -14.061 1.00 0.00 H new ATOM 874 N GLU A 56 7.919 -10.376 -14.095 1.00 0.00 N ATOM 875 CA GLU A 56 7.521 -9.690 -12.870 1.00 0.00 C ATOM 876 C GLU A 56 6.028 -9.858 -12.601 1.00 0.00 C ATOM 877 O GLU A 56 5.620 -10.074 -11.462 1.00 0.00 O ATOM 878 CB GLU A 56 7.852 -8.197 -12.969 1.00 0.00 C ATOM 879 CG GLU A 56 9.241 -7.940 -12.385 1.00 0.00 C ATOM 880 CD GLU A 56 9.183 -8.003 -10.863 1.00 0.00 C ATOM 881 OE1 GLU A 56 9.733 -8.940 -10.308 1.00 0.00 O ATOM 882 OE2 GLU A 56 8.587 -7.115 -10.275 1.00 0.00 O ATOM 0 H GLU A 56 8.228 -9.760 -14.847 1.00 0.00 H new ATOM 0 HA GLU A 56 8.076 -10.137 -12.045 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.819 -7.875 -14.010 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.106 -7.612 -12.431 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.946 -8.681 -12.762 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.604 -6.963 -12.704 1.00 0.00 H new ATOM 889 N LYS A 57 5.215 -9.748 -13.647 1.00 0.00 N ATOM 890 CA LYS A 57 3.769 -9.881 -13.490 1.00 0.00 C ATOM 891 C LYS A 57 3.363 -11.349 -13.414 1.00 0.00 C ATOM 892 O LYS A 57 2.357 -11.703 -12.788 1.00 0.00 O ATOM 893 CB LYS A 57 3.056 -9.211 -14.666 1.00 0.00 C ATOM 894 CG LYS A 57 3.713 -9.638 -15.977 1.00 0.00 C ATOM 895 CD LYS A 57 2.720 -9.471 -17.127 1.00 0.00 C ATOM 896 CE LYS A 57 1.972 -10.786 -17.346 1.00 0.00 C ATOM 897 NZ LYS A 57 0.691 -10.513 -18.056 1.00 0.00 N ATOM 0 H LYS A 57 5.527 -9.569 -14.602 1.00 0.00 H new ATOM 0 HA LYS A 57 3.479 -9.393 -12.560 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.002 -9.487 -14.670 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.101 -8.127 -14.561 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.603 -9.037 -16.162 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.038 -10.677 -15.911 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.014 -8.672 -16.900 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.246 -9.183 -18.037 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.585 -11.473 -17.929 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.775 -11.269 -16.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 0.180 -11.406 -18.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.106 -9.872 -17.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.891 -10.070 -18.975 1.00 0.00 H new ATOM 911 N GLU A 58 4.144 -12.204 -14.060 1.00 0.00 N ATOM 912 CA GLU A 58 3.855 -13.623 -14.068 1.00 0.00 C ATOM 913 C GLU A 58 4.099 -14.236 -12.690 1.00 0.00 C ATOM 914 O GLU A 58 3.253 -14.958 -12.165 1.00 0.00 O ATOM 915 CB GLU A 58 4.732 -14.319 -15.103 1.00 0.00 C ATOM 916 CG GLU A 58 4.738 -15.816 -14.829 1.00 0.00 C ATOM 917 CD GLU A 58 5.094 -16.581 -16.100 1.00 0.00 C ATOM 918 OE1 GLU A 58 5.998 -17.397 -16.042 1.00 0.00 O ATOM 919 OE2 GLU A 58 4.456 -16.336 -17.110 1.00 0.00 O ATOM 0 H GLU A 58 4.978 -11.937 -14.582 1.00 0.00 H new ATOM 0 HA GLU A 58 2.805 -13.760 -14.325 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.356 -14.123 -16.107 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.748 -13.925 -15.060 1.00 0.00 H new ATOM 0 HG2 GLU A 58 5.457 -16.047 -14.043 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.759 -16.131 -14.468 1.00 0.00 H new ATOM 926 N ILE A 59 5.262 -13.949 -12.114 1.00 0.00 N ATOM 927 CA ILE A 59 5.608 -14.486 -10.799 1.00 0.00 C ATOM 928 C ILE A 59 4.462 -14.290 -9.813 1.00 0.00 C ATOM 929 O ILE A 59 4.364 -15.004 -8.815 1.00 0.00 O ATOM 930 CB ILE A 59 6.860 -13.790 -10.261 1.00 0.00 C ATOM 931 CG1 ILE A 59 8.091 -14.288 -11.029 1.00 0.00 C ATOM 932 CG2 ILE A 59 7.027 -14.111 -8.772 1.00 0.00 C ATOM 933 CD1 ILE A 59 9.232 -13.272 -10.906 1.00 0.00 C ATOM 0 H ILE A 59 5.977 -13.353 -12.531 1.00 0.00 H new ATOM 0 HA ILE A 59 5.799 -15.553 -10.910 1.00 0.00 H new ATOM 0 HB ILE A 59 6.758 -12.713 -10.391 1.00 0.00 H new ATOM 0 HG12 ILE A 59 8.409 -15.254 -10.636 1.00 0.00 H new ATOM 0 HG13 ILE A 59 7.839 -14.439 -12.079 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.919 -13.614 -8.391 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.153 -13.759 -8.224 1.00 0.00 H new ATOM 0 HG23 ILE A 59 7.127 -15.188 -8.641 1.00 0.00 H new ATOM 0 HD11 ILE A 59 10.102 -13.634 -11.454 1.00 0.00 H new ATOM 0 HD12 ILE A 59 8.914 -12.315 -11.321 1.00 0.00 H new ATOM 0 HD13 ILE A 59 9.493 -13.143 -9.856 1.00 0.00 H new ATOM 945 N LEU A 60 3.599 -13.316 -10.090 1.00 0.00 N ATOM 946 CA LEU A 60 2.474 -13.047 -9.201 1.00 0.00 C ATOM 947 C LEU A 60 1.282 -13.934 -9.556 1.00 0.00 C ATOM 948 O LEU A 60 0.771 -14.677 -8.715 1.00 0.00 O ATOM 949 CB LEU A 60 2.039 -11.584 -9.291 1.00 0.00 C ATOM 950 CG LEU A 60 2.930 -10.691 -8.421 1.00 0.00 C ATOM 951 CD1 LEU A 60 4.404 -11.012 -8.663 1.00 0.00 C ATOM 952 CD2 LEU A 60 2.668 -9.227 -8.779 1.00 0.00 C ATOM 0 H LEU A 60 3.655 -12.710 -10.908 1.00 0.00 H new ATOM 0 HA LEU A 60 2.805 -13.263 -8.185 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.085 -11.250 -10.328 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.001 -11.489 -8.972 1.00 0.00 H new ATOM 0 HG LEU A 60 2.698 -10.871 -7.371 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.024 -10.369 -8.038 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.595 -12.055 -8.412 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.646 -10.841 -9.712 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.298 -8.584 -8.165 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.899 -9.063 -9.831 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.620 -8.990 -8.596 1.00 0.00 H new ATOM 964 N ILE A 61 0.833 -13.847 -10.806 1.00 0.00 N ATOM 965 CA ILE A 61 -0.306 -14.648 -11.243 1.00 0.00 C ATOM 966 C ILE A 61 0.072 -16.129 -11.289 1.00 0.00 C ATOM 967 O ILE A 61 -0.791 -16.997 -11.419 1.00 0.00 O ATOM 968 CB ILE A 61 -0.779 -14.191 -12.632 1.00 0.00 C ATOM 969 CG1 ILE A 61 0.243 -14.607 -13.693 1.00 0.00 C ATOM 970 CG2 ILE A 61 -0.925 -12.668 -12.651 1.00 0.00 C ATOM 971 CD1 ILE A 61 -0.281 -15.817 -14.472 1.00 0.00 C ATOM 0 H ILE A 61 1.233 -13.241 -11.523 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.117 -14.510 -10.528 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.740 -14.657 -12.849 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.431 -13.778 -14.375 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.194 -14.852 -13.219 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.260 -12.347 -13.637 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.656 -12.363 -11.902 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.037 -12.207 -12.427 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.450 -16.109 -15.226 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.446 -16.648 -13.786 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.221 -15.557 -14.960 1.00 0.00 H new ATOM 983 N ARG A 62 1.372 -16.403 -11.193 1.00 0.00 N ATOM 984 CA ARG A 62 1.863 -17.777 -11.234 1.00 0.00 C ATOM 985 C ARG A 62 1.272 -18.593 -10.093 1.00 0.00 C ATOM 986 O ARG A 62 1.128 -19.811 -10.200 1.00 0.00 O ATOM 987 CB ARG A 62 3.392 -17.794 -11.132 1.00 0.00 C ATOM 988 CG ARG A 62 3.903 -19.237 -11.211 1.00 0.00 C ATOM 989 CD ARG A 62 5.433 -19.233 -11.220 1.00 0.00 C ATOM 990 NE ARG A 62 5.934 -18.962 -12.563 1.00 0.00 N ATOM 991 CZ ARG A 62 6.154 -19.945 -13.432 1.00 0.00 C ATOM 992 NH1 ARG A 62 5.911 -21.184 -13.099 1.00 0.00 N ATOM 993 NH2 ARG A 62 6.619 -19.669 -14.620 1.00 0.00 N ATOM 0 H ARG A 62 2.099 -15.696 -11.087 1.00 0.00 H new ATOM 0 HA ARG A 62 1.556 -18.219 -12.182 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.826 -17.201 -11.937 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.708 -17.338 -10.194 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.535 -19.812 -10.362 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.524 -19.720 -12.112 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.805 -18.478 -10.527 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.807 -20.196 -10.873 1.00 0.00 H new ATOM 0 HE ARG A 62 6.120 -17.999 -12.842 1.00 0.00 H new ATOM 0 HH11 ARG A 62 5.551 -21.401 -12.170 1.00 0.00 H new ATOM 0 HH12 ARG A 62 6.081 -21.935 -13.768 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.813 -18.702 -14.880 1.00 0.00 H new ATOM 0 HH22 ARG A 62 6.789 -20.420 -15.288 1.00 0.00 H new ATOM 1007 N ASP A 63 0.930 -17.919 -9.003 1.00 0.00 N ATOM 1008 CA ASP A 63 0.356 -18.607 -7.856 1.00 0.00 C ATOM 1009 C ASP A 63 -0.674 -17.721 -7.172 1.00 0.00 C ATOM 1010 O ASP A 63 -0.391 -16.570 -6.844 1.00 0.00 O ATOM 1011 CB ASP A 63 1.458 -18.975 -6.860 1.00 0.00 C ATOM 1012 CG ASP A 63 2.030 -20.348 -7.199 1.00 0.00 C ATOM 1013 OD1 ASP A 63 1.354 -21.329 -6.941 1.00 0.00 O ATOM 1014 OD2 ASP A 63 3.137 -20.397 -7.711 1.00 0.00 O ATOM 0 H ASP A 63 1.038 -16.911 -8.889 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.132 -19.517 -8.205 1.00 0.00 H new ATOM 0 HB2 ASP A 63 2.249 -18.226 -6.887 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.057 -18.979 -5.846 1.00 0.00 H new ATOM 1019 N LYS A 64 -1.870 -18.260 -6.965 1.00 0.00 N ATOM 1020 CA LYS A 64 -2.928 -17.498 -6.321 1.00 0.00 C ATOM 1021 C LYS A 64 -2.405 -16.877 -5.031 1.00 0.00 C ATOM 1022 O LYS A 64 -2.788 -15.771 -4.659 1.00 0.00 O ATOM 1023 CB LYS A 64 -4.127 -18.431 -6.039 1.00 0.00 C ATOM 1024 CG LYS A 64 -5.041 -17.888 -4.916 1.00 0.00 C ATOM 1025 CD LYS A 64 -5.755 -16.605 -5.366 1.00 0.00 C ATOM 1026 CE LYS A 64 -7.232 -16.914 -5.625 1.00 0.00 C ATOM 1027 NZ LYS A 64 -7.868 -15.768 -6.335 1.00 0.00 N ATOM 0 H LYS A 64 -2.128 -19.210 -7.231 1.00 0.00 H new ATOM 0 HA LYS A 64 -3.258 -16.692 -6.977 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -4.710 -18.555 -6.951 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -3.759 -19.418 -5.759 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -5.778 -18.643 -4.644 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.448 -17.686 -4.024 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.661 -15.835 -4.600 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -5.289 -16.214 -6.270 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -7.324 -17.821 -6.222 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.745 -17.100 -4.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -8.871 -15.981 -6.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -7.793 -14.912 -5.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -7.385 -15.610 -7.242 1.00 0.00 H new ATOM 1041 N ASN A 65 -1.537 -17.601 -4.343 1.00 0.00 N ATOM 1042 CA ASN A 65 -0.991 -17.111 -3.092 1.00 0.00 C ATOM 1043 C ASN A 65 -0.030 -15.951 -3.333 1.00 0.00 C ATOM 1044 O ASN A 65 0.063 -15.032 -2.519 1.00 0.00 O ATOM 1045 CB ASN A 65 -0.264 -18.240 -2.365 1.00 0.00 C ATOM 1046 CG ASN A 65 -0.829 -18.391 -0.955 1.00 0.00 C ATOM 1047 OD1 ASN A 65 -1.000 -19.510 -0.472 1.00 0.00 O ATOM 1048 ND2 ASN A 65 -1.135 -17.324 -0.267 1.00 0.00 N ATOM 0 H ASN A 65 -1.199 -18.521 -4.627 1.00 0.00 H new ATOM 0 HA ASN A 65 -1.816 -16.753 -2.476 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -0.379 -19.174 -2.915 1.00 0.00 H new ATOM 0 HB3 ASN A 65 0.804 -18.027 -2.318 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -1.517 -17.416 0.674 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -0.992 -16.398 -0.671 1.00 0.00 H new ATOM 1055 N ALA A 66 0.686 -16.002 -4.453 1.00 0.00 N ATOM 1056 CA ALA A 66 1.652 -14.958 -4.777 1.00 0.00 C ATOM 1057 C ALA A 66 0.968 -13.601 -4.980 1.00 0.00 C ATOM 1058 O ALA A 66 1.210 -12.626 -4.229 1.00 0.00 O ATOM 1059 CB ALA A 66 2.419 -15.354 -6.036 1.00 0.00 C ATOM 0 H ALA A 66 0.617 -16.748 -5.145 1.00 0.00 H new ATOM 0 HA ALA A 66 2.342 -14.856 -3.940 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.142 -14.576 -6.281 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.942 -16.294 -5.863 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.721 -15.475 -6.864 1.00 0.00 H new ATOM 1065 N LEU A 67 0.094 -13.528 -5.980 1.00 0.00 N ATOM 1066 CA LEU A 67 -0.606 -12.284 -6.233 1.00 0.00 C ATOM 1067 C LEU A 67 -1.361 -11.869 -4.977 1.00 0.00 C ATOM 1068 O LEU A 67 -1.481 -10.681 -4.687 1.00 0.00 O ATOM 1069 CB LEU A 67 -1.543 -12.410 -7.459 1.00 0.00 C ATOM 1070 CG LEU A 67 -3.029 -12.484 -7.047 1.00 0.00 C ATOM 1071 CD1 LEU A 67 -3.913 -12.380 -8.283 1.00 0.00 C ATOM 1072 CD2 LEU A 67 -3.305 -13.814 -6.344 1.00 0.00 C ATOM 0 H LEU A 67 -0.139 -14.296 -6.610 1.00 0.00 H new ATOM 0 HA LEU A 67 0.116 -11.504 -6.475 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.392 -11.556 -8.120 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.279 -13.303 -8.026 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.250 -11.659 -6.370 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.961 -12.433 -7.987 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.725 -11.431 -8.786 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.686 -13.202 -8.963 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.355 -13.862 -6.055 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.077 -14.637 -7.021 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.680 -13.892 -5.454 1.00 0.00 H new ATOM 1084 N GLN A 68 -1.890 -12.850 -4.241 1.00 0.00 N ATOM 1085 CA GLN A 68 -2.650 -12.547 -3.034 1.00 0.00 C ATOM 1086 C GLN A 68 -1.791 -11.753 -2.063 1.00 0.00 C ATOM 1087 O GLN A 68 -2.250 -10.782 -1.454 1.00 0.00 O ATOM 1088 CB GLN A 68 -3.134 -13.826 -2.344 1.00 0.00 C ATOM 1089 CG GLN A 68 -4.626 -14.057 -2.650 1.00 0.00 C ATOM 1090 CD GLN A 68 -5.486 -13.222 -1.716 1.00 0.00 C ATOM 1091 OE1 GLN A 68 -5.581 -11.938 -1.923 1.00 0.00 O flip ATOM 1092 NE2 GLN A 68 -6.081 -13.746 -0.775 1.00 0.00 N flip ATOM 0 H GLN A 68 -1.806 -13.843 -4.458 1.00 0.00 H new ATOM 0 HA GLN A 68 -3.519 -11.959 -3.329 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -2.548 -14.678 -2.687 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -2.983 -13.748 -1.267 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -4.838 -13.792 -3.686 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -4.870 -15.113 -2.534 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -6.003 -14.751 -0.618 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -6.652 -13.176 -0.152 1.00 0.00 H new ATOM 1101 N ASN A 69 -0.535 -12.162 -1.928 1.00 0.00 N ATOM 1102 CA ASN A 69 0.362 -11.464 -1.030 1.00 0.00 C ATOM 1103 C ASN A 69 0.441 -10.008 -1.431 1.00 0.00 C ATOM 1104 O ASN A 69 0.348 -9.116 -0.588 1.00 0.00 O ATOM 1105 CB ASN A 69 1.754 -12.077 -1.081 1.00 0.00 C ATOM 1106 CG ASN A 69 1.668 -13.579 -0.904 1.00 0.00 C ATOM 1107 OD1 ASN A 69 2.226 -14.340 -1.792 1.00 0.00 O flip ATOM 1108 ND2 ASN A 69 1.072 -14.066 0.055 1.00 0.00 N flip ATOM 0 H ASN A 69 -0.126 -12.957 -2.419 1.00 0.00 H new ATOM 0 HA ASN A 69 -0.023 -11.550 -0.014 1.00 0.00 H new ATOM 0 HB2 ASN A 69 2.229 -11.842 -2.034 1.00 0.00 H new ATOM 0 HB3 ASN A 69 2.379 -11.646 -0.299 1.00 0.00 H new ATOM 0 HD21 ASN A 69 0.637 -13.457 0.748 1.00 0.00 H new ATOM 0 HD22 ASN A 69 1.013 -15.079 0.158 1.00 0.00 H new ATOM 1115 N ILE A 70 0.609 -9.768 -2.726 1.00 0.00 N ATOM 1116 CA ILE A 70 0.686 -8.385 -3.198 1.00 0.00 C ATOM 1117 C ILE A 70 -0.665 -7.687 -3.055 1.00 0.00 C ATOM 1118 O ILE A 70 -0.730 -6.510 -2.707 1.00 0.00 O ATOM 1119 CB ILE A 70 1.133 -8.324 -4.658 1.00 0.00 C ATOM 1120 CG1 ILE A 70 2.648 -8.541 -4.747 1.00 0.00 C ATOM 1121 CG2 ILE A 70 0.789 -6.945 -5.225 1.00 0.00 C ATOM 1122 CD1 ILE A 70 2.992 -9.984 -4.390 1.00 0.00 C ATOM 0 H ILE A 70 0.692 -10.483 -3.449 1.00 0.00 H new ATOM 0 HA ILE A 70 1.424 -7.872 -2.581 1.00 0.00 H new ATOM 0 HB ILE A 70 0.624 -9.102 -5.227 1.00 0.00 H new ATOM 0 HG12 ILE A 70 2.997 -8.314 -5.754 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.162 -7.858 -4.070 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.104 -6.891 -6.267 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.287 -6.784 -5.163 1.00 0.00 H new ATOM 0 HG23 ILE A 70 1.305 -6.176 -4.650 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.070 -10.128 -4.456 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.659 -10.197 -3.374 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.492 -10.660 -5.084 1.00 0.00 H new ATOM 1134 N ILE A 71 -1.739 -8.413 -3.326 1.00 0.00 N ATOM 1135 CA ILE A 71 -3.077 -7.839 -3.222 1.00 0.00 C ATOM 1136 C ILE A 71 -3.240 -7.091 -1.906 1.00 0.00 C ATOM 1137 O ILE A 71 -3.669 -5.937 -1.890 1.00 0.00 O ATOM 1138 CB ILE A 71 -4.127 -8.946 -3.318 1.00 0.00 C ATOM 1139 CG1 ILE A 71 -4.210 -9.437 -4.767 1.00 0.00 C ATOM 1140 CG2 ILE A 71 -5.486 -8.421 -2.855 1.00 0.00 C ATOM 1141 CD1 ILE A 71 -5.302 -8.688 -5.520 1.00 0.00 C ATOM 0 H ILE A 71 -1.715 -9.390 -3.617 1.00 0.00 H new ATOM 0 HA ILE A 71 -3.215 -7.135 -4.043 1.00 0.00 H new ATOM 0 HB ILE A 71 -3.842 -9.777 -2.673 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.251 -9.290 -5.263 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -4.416 -10.507 -4.784 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -6.227 -9.217 -2.927 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.413 -8.086 -1.820 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -5.788 -7.586 -3.487 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -5.348 -9.048 -6.548 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -6.262 -8.858 -5.033 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -5.078 -7.621 -5.519 1.00 0.00 H new ATOM 1153 N LEU A 72 -2.910 -7.749 -0.800 1.00 0.00 N ATOM 1154 CA LEU A 72 -3.050 -7.110 0.504 1.00 0.00 C ATOM 1155 C LEU A 72 -2.253 -5.816 0.583 1.00 0.00 C ATOM 1156 O LEU A 72 -2.367 -5.074 1.559 1.00 0.00 O ATOM 1157 CB LEU A 72 -2.582 -8.057 1.593 1.00 0.00 C ATOM 1158 CG LEU A 72 -3.477 -9.286 1.572 1.00 0.00 C ATOM 1159 CD1 LEU A 72 -2.612 -10.539 1.629 1.00 0.00 C ATOM 1160 CD2 LEU A 72 -4.424 -9.233 2.773 1.00 0.00 C ATOM 0 H LEU A 72 -2.551 -8.704 -0.778 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.104 -6.869 0.645 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.543 -8.341 1.429 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.629 -7.569 2.567 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.066 -9.309 0.655 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.250 -11.423 1.614 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.944 -10.559 0.768 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.022 -10.533 2.546 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.070 -10.111 2.766 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.842 -9.218 3.695 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.035 -8.332 2.715 1.00 0.00 H new ATOM 1172 N TYR A 73 -1.450 -5.549 -0.439 1.00 0.00 N ATOM 1173 CA TYR A 73 -0.646 -4.337 -0.457 1.00 0.00 C ATOM 1174 C TYR A 73 0.111 -4.175 0.854 1.00 0.00 C ATOM 1175 O TYR A 73 0.315 -3.051 1.323 1.00 0.00 O ATOM 1176 CB TYR A 73 -1.544 -3.117 -0.676 1.00 0.00 C ATOM 1177 CG TYR A 73 -2.493 -3.374 -1.825 1.00 0.00 C ATOM 1178 CD1 TYR A 73 -1.992 -3.701 -3.092 1.00 0.00 C ATOM 1179 CD2 TYR A 73 -3.877 -3.288 -1.623 1.00 0.00 C ATOM 1180 CE1 TYR A 73 -2.871 -3.936 -4.155 1.00 0.00 C ATOM 1181 CE2 TYR A 73 -4.755 -3.525 -2.686 1.00 0.00 C ATOM 1182 CZ TYR A 73 -4.253 -3.850 -3.952 1.00 0.00 C ATOM 1183 OH TYR A 73 -5.120 -4.083 -4.998 1.00 0.00 O ATOM 0 H TYR A 73 -1.339 -6.148 -1.257 1.00 0.00 H new ATOM 0 HA TYR A 73 0.072 -4.415 -1.273 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -2.108 -2.903 0.232 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -0.934 -2.239 -0.887 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -0.926 -3.772 -3.248 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.266 -3.039 -0.647 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -2.483 -4.184 -5.132 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -5.822 -3.457 -2.530 1.00 0.00 H new ATOM 0 HH TYR A 73 -5.750 -3.336 -5.074 1.00 0.00 H new ATOM 1193 N HIS A 74 0.522 -5.300 1.445 1.00 0.00 N ATOM 1194 CA HIS A 74 1.255 -5.256 2.705 1.00 0.00 C ATOM 1195 C HIS A 74 0.395 -4.621 3.792 1.00 0.00 C ATOM 1196 O HIS A 74 0.872 -3.781 4.554 1.00 0.00 O ATOM 1197 CB HIS A 74 2.548 -4.453 2.533 1.00 0.00 C ATOM 1198 CG HIS A 74 3.241 -4.889 1.271 1.00 0.00 C ATOM 1199 ND1 HIS A 74 2.722 -4.624 0.013 1.00 0.00 N ATOM 1200 CD2 HIS A 74 4.408 -5.580 1.057 1.00 0.00 C ATOM 1201 CE1 HIS A 74 3.568 -5.150 -0.892 1.00 0.00 C ATOM 1202 NE2 HIS A 74 4.611 -5.745 -0.310 1.00 0.00 N ATOM 0 H HIS A 74 0.361 -6.237 1.075 1.00 0.00 H new ATOM 0 HA HIS A 74 1.504 -6.275 3.000 1.00 0.00 H new ATOM 0 HB2 HIS A 74 2.324 -3.387 2.489 1.00 0.00 H new ATOM 0 HB3 HIS A 74 3.202 -4.606 3.392 1.00 0.00 H new ATOM 0 HD2 HIS A 74 5.068 -5.941 1.832 1.00 0.00 H new ATOM 0 HE1 HIS A 74 3.420 -5.097 -1.961 1.00 0.00 H new ATOM 0 HE2 HIS A 74 5.389 -6.219 -0.768 1.00 0.00 H new ATOM 1211 N LEU A 75 -0.876 -5.031 3.869 1.00 0.00 N ATOM 1212 CA LEU A 75 -1.772 -4.487 4.880 1.00 0.00 C ATOM 1213 C LEU A 75 -1.123 -4.614 6.249 1.00 0.00 C ATOM 1214 O LEU A 75 -0.682 -5.700 6.625 1.00 0.00 O ATOM 1215 CB LEU A 75 -3.116 -5.239 4.848 1.00 0.00 C ATOM 1216 CG LEU A 75 -3.704 -5.401 6.263 1.00 0.00 C ATOM 1217 CD1 LEU A 75 -3.948 -4.029 6.889 1.00 0.00 C ATOM 1218 CD2 LEU A 75 -5.034 -6.140 6.167 1.00 0.00 C ATOM 0 H LEU A 75 -1.297 -5.726 3.252 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.961 -3.434 4.673 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.822 -4.698 4.219 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.974 -6.221 4.397 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.001 -5.961 6.880 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.364 -4.154 7.889 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.005 -3.486 6.953 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.649 -3.467 6.272 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.457 -6.259 7.165 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.724 -5.568 5.546 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.873 -7.122 5.722 1.00 0.00 H new ATOM 1230 N THR A 76 -1.079 -3.516 6.992 1.00 0.00 N ATOM 1231 CA THR A 76 -0.483 -3.541 8.320 1.00 0.00 C ATOM 1232 C THR A 76 -1.487 -3.058 9.376 1.00 0.00 C ATOM 1233 O THR A 76 -1.984 -1.936 9.286 1.00 0.00 O ATOM 1234 CB THR A 76 0.770 -2.652 8.352 1.00 0.00 C ATOM 1235 OG1 THR A 76 1.927 -3.479 8.321 1.00 0.00 O ATOM 1236 CG2 THR A 76 0.796 -1.804 9.629 1.00 0.00 C ATOM 0 H THR A 76 -1.444 -2.608 6.703 1.00 0.00 H new ATOM 0 HA THR A 76 -0.203 -4.569 8.550 1.00 0.00 H new ATOM 0 HB THR A 76 0.754 -1.988 7.488 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.924 -4.075 9.099 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.690 -1.181 9.634 1.00 0.00 H new ATOM 0 HG22 THR A 76 -0.089 -1.169 9.662 1.00 0.00 H new ATOM 0 HG23 THR A 76 0.805 -2.459 10.500 1.00 0.00 H new ATOM 1244 N PRO A 77 -1.779 -3.848 10.388 1.00 0.00 N ATOM 1245 CA PRO A 77 -2.705 -3.413 11.472 1.00 0.00 C ATOM 1246 C PRO A 77 -2.293 -2.085 12.099 1.00 0.00 C ATOM 1247 O PRO A 77 -1.109 -1.758 12.163 1.00 0.00 O ATOM 1248 CB PRO A 77 -2.614 -4.529 12.516 1.00 0.00 C ATOM 1249 CG PRO A 77 -2.140 -5.733 11.783 1.00 0.00 C ATOM 1250 CD PRO A 77 -1.305 -5.234 10.610 1.00 0.00 C ATOM 0 HA PRO A 77 -3.711 -3.254 11.085 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -1.923 -4.261 13.315 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.584 -4.710 12.980 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -1.546 -6.374 12.435 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -2.983 -6.329 11.432 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.240 -5.258 10.841 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.453 -5.852 9.724 1.00 0.00 H new ATOM 1258 N GLY A 78 -3.282 -1.332 12.576 1.00 0.00 N ATOM 1259 CA GLY A 78 -3.009 -0.053 13.214 1.00 0.00 C ATOM 1260 C GLY A 78 -2.449 0.950 12.216 1.00 0.00 C ATOM 1261 O GLY A 78 -1.353 0.772 11.685 1.00 0.00 O ATOM 0 H GLY A 78 -4.269 -1.585 12.532 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -3.926 0.340 13.654 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -2.299 -0.194 14.029 1.00 0.00 H new ATOM 1265 N VAL A 79 -3.213 2.005 11.968 1.00 0.00 N ATOM 1266 CA VAL A 79 -2.788 3.040 11.033 1.00 0.00 C ATOM 1267 C VAL A 79 -1.411 3.574 11.411 1.00 0.00 C ATOM 1268 O VAL A 79 -1.041 3.592 12.586 1.00 0.00 O ATOM 1269 CB VAL A 79 -3.797 4.190 11.030 1.00 0.00 C ATOM 1270 CG1 VAL A 79 -5.078 3.745 10.320 1.00 0.00 C ATOM 1271 CG2 VAL A 79 -4.126 4.587 12.471 1.00 0.00 C ATOM 0 H VAL A 79 -4.124 2.167 12.397 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.734 2.600 10.037 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.369 5.045 10.506 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.797 4.565 10.318 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -4.846 3.464 9.293 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.505 2.889 10.843 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.845 5.406 12.468 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.553 3.732 12.996 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.215 4.906 12.978 1.00 0.00 H new ATOM 1281 N PHE A 80 -0.658 4.010 10.407 1.00 0.00 N ATOM 1282 CA PHE A 80 0.677 4.545 10.643 1.00 0.00 C ATOM 1283 C PHE A 80 0.606 6.035 10.959 1.00 0.00 C ATOM 1284 O PHE A 80 -0.063 6.794 10.257 1.00 0.00 O ATOM 1285 CB PHE A 80 1.552 4.325 9.408 1.00 0.00 C ATOM 1286 CG PHE A 80 1.996 5.656 8.855 1.00 0.00 C ATOM 1287 CD1 PHE A 80 1.178 6.346 7.953 1.00 0.00 C ATOM 1288 CD2 PHE A 80 3.226 6.202 9.242 1.00 0.00 C ATOM 1289 CE1 PHE A 80 1.588 7.582 7.439 1.00 0.00 C ATOM 1290 CE2 PHE A 80 3.637 7.437 8.728 1.00 0.00 C ATOM 1291 CZ PHE A 80 2.818 8.128 7.826 1.00 0.00 C ATOM 0 H PHE A 80 -0.947 4.004 9.429 1.00 0.00 H new ATOM 0 HA PHE A 80 1.113 4.024 11.495 1.00 0.00 H new ATOM 0 HB2 PHE A 80 2.421 3.721 9.669 1.00 0.00 H new ATOM 0 HB3 PHE A 80 0.996 3.773 8.650 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.230 5.925 7.653 1.00 0.00 H new ATOM 0 HD2 PHE A 80 3.858 5.670 9.938 1.00 0.00 H new ATOM 0 HE1 PHE A 80 0.956 8.114 6.744 1.00 0.00 H new ATOM 0 HE2 PHE A 80 4.586 7.857 9.027 1.00 0.00 H new ATOM 0 HZ PHE A 80 3.135 9.081 7.429 1.00 0.00 H new ATOM 1301 N ILE A 81 1.298 6.443 12.019 1.00 0.00 N ATOM 1302 CA ILE A 81 1.309 7.843 12.426 1.00 0.00 C ATOM 1303 C ILE A 81 2.734 8.384 12.448 1.00 0.00 C ATOM 1304 O ILE A 81 3.578 7.908 13.208 1.00 0.00 O ATOM 1305 CB ILE A 81 0.687 7.986 13.816 1.00 0.00 C ATOM 1306 CG1 ILE A 81 -0.364 6.890 14.017 1.00 0.00 C ATOM 1307 CG2 ILE A 81 0.020 9.357 13.939 1.00 0.00 C ATOM 1308 CD1 ILE A 81 -1.185 7.194 15.272 1.00 0.00 C ATOM 0 H ILE A 81 1.856 5.826 12.609 1.00 0.00 H new ATOM 0 HA ILE A 81 0.726 8.416 11.705 1.00 0.00 H new ATOM 0 HB ILE A 81 1.465 7.891 14.574 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -1.018 6.834 13.147 1.00 0.00 H new ATOM 0 HG13 ILE A 81 0.122 5.919 14.114 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -0.423 9.458 14.930 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.765 10.139 13.793 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -0.758 9.452 13.182 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.933 6.414 15.415 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.525 7.228 16.139 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -1.682 8.157 15.157 1.00 0.00 H new ATOM 1320 N GLY A 82 2.997 9.380 11.609 1.00 0.00 N ATOM 1321 CA GLY A 82 4.324 9.980 11.543 1.00 0.00 C ATOM 1322 C GLY A 82 4.665 10.686 12.851 1.00 0.00 C ATOM 1323 O GLY A 82 5.707 11.332 12.965 1.00 0.00 O ATOM 0 H GLY A 82 2.314 9.786 10.970 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.067 9.209 11.336 1.00 0.00 H new ATOM 0 HA3 GLY A 82 4.365 10.692 10.719 1.00 0.00 H new ATOM 1327 N LYS A 83 3.777 10.559 13.833 1.00 0.00 N ATOM 1328 CA LYS A 83 3.985 11.189 15.131 1.00 0.00 C ATOM 1329 C LYS A 83 4.343 10.142 16.181 1.00 0.00 C ATOM 1330 O LYS A 83 4.528 10.463 17.355 1.00 0.00 O ATOM 1331 CB LYS A 83 2.717 11.929 15.562 1.00 0.00 C ATOM 1332 CG LYS A 83 2.370 13.003 14.528 1.00 0.00 C ATOM 1333 CD LYS A 83 2.970 14.341 14.959 1.00 0.00 C ATOM 1334 CE LYS A 83 2.759 15.374 13.850 1.00 0.00 C ATOM 1335 NZ LYS A 83 2.334 16.669 14.452 1.00 0.00 N ATOM 0 H LYS A 83 2.910 10.027 13.754 1.00 0.00 H new ATOM 0 HA LYS A 83 4.808 11.898 15.042 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.890 11.226 15.662 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.866 12.387 16.540 1.00 0.00 H new ATOM 0 HG2 LYS A 83 2.756 12.718 13.549 1.00 0.00 H new ATOM 0 HG3 LYS A 83 1.288 13.092 14.430 1.00 0.00 H new ATOM 0 HD2 LYS A 83 2.501 14.682 15.882 1.00 0.00 H new ATOM 0 HD3 LYS A 83 4.034 14.225 15.166 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.681 15.509 13.284 1.00 0.00 H new ATOM 0 HE3 LYS A 83 2.003 15.021 13.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 2.190 17.371 13.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 1.444 16.534 14.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 3.070 17.007 15.104 1.00 0.00 H new ATOM 1349 N GLY A 84 4.435 8.887 15.751 1.00 0.00 N ATOM 1350 CA GLY A 84 4.768 7.798 16.662 1.00 0.00 C ATOM 1351 C GLY A 84 6.278 7.618 16.769 1.00 0.00 C ATOM 1352 O GLY A 84 6.879 7.933 17.796 1.00 0.00 O ATOM 0 H GLY A 84 4.285 8.601 14.784 1.00 0.00 H new ATOM 0 HA2 GLY A 84 4.352 8.004 17.648 1.00 0.00 H new ATOM 0 HA3 GLY A 84 4.312 6.873 16.310 1.00 0.00 H new ATOM 1356 N PHE A 85 6.887 7.109 15.702 1.00 0.00 N ATOM 1357 CA PHE A 85 8.331 6.892 15.692 1.00 0.00 C ATOM 1358 C PHE A 85 9.067 8.192 15.386 1.00 0.00 C ATOM 1359 O PHE A 85 8.479 9.138 14.862 1.00 0.00 O ATOM 1360 CB PHE A 85 8.694 5.838 14.644 1.00 0.00 C ATOM 1361 CG PHE A 85 8.565 4.463 15.253 1.00 0.00 C ATOM 1362 CD1 PHE A 85 7.488 3.641 14.905 1.00 0.00 C ATOM 1363 CD2 PHE A 85 9.524 4.011 16.168 1.00 0.00 C ATOM 1364 CE1 PHE A 85 7.366 2.367 15.472 1.00 0.00 C ATOM 1365 CE2 PHE A 85 9.404 2.737 16.734 1.00 0.00 C ATOM 1366 CZ PHE A 85 8.325 1.915 16.387 1.00 0.00 C ATOM 0 H PHE A 85 6.410 6.841 14.841 1.00 0.00 H new ATOM 0 HA PHE A 85 8.633 6.541 16.679 1.00 0.00 H new ATOM 0 HB2 PHE A 85 8.037 5.928 13.779 1.00 0.00 H new ATOM 0 HB3 PHE A 85 9.712 5.997 14.289 1.00 0.00 H new ATOM 0 HD1 PHE A 85 6.750 3.990 14.198 1.00 0.00 H new ATOM 0 HD2 PHE A 85 10.356 4.645 16.437 1.00 0.00 H new ATOM 0 HE1 PHE A 85 6.533 1.733 15.204 1.00 0.00 H new ATOM 0 HE2 PHE A 85 10.144 2.388 17.439 1.00 0.00 H new ATOM 0 HZ PHE A 85 8.232 0.932 16.825 1.00 0.00 H new ATOM 1376 N GLU A 86 10.355 8.235 15.720 1.00 0.00 N ATOM 1377 CA GLU A 86 11.154 9.432 15.478 1.00 0.00 C ATOM 1378 C GLU A 86 11.858 9.354 14.124 1.00 0.00 C ATOM 1379 O GLU A 86 12.199 8.266 13.660 1.00 0.00 O ATOM 1380 CB GLU A 86 12.190 9.610 16.604 1.00 0.00 C ATOM 1381 CG GLU A 86 13.574 9.137 16.148 1.00 0.00 C ATOM 1382 CD GLU A 86 14.519 9.074 17.342 1.00 0.00 C ATOM 1383 OE1 GLU A 86 15.568 9.692 17.272 1.00 0.00 O ATOM 1384 OE2 GLU A 86 14.180 8.409 18.306 1.00 0.00 O ATOM 0 H GLU A 86 10.862 7.464 16.154 1.00 0.00 H new ATOM 0 HA GLU A 86 10.486 10.293 15.466 1.00 0.00 H new ATOM 0 HB2 GLU A 86 12.238 10.658 16.898 1.00 0.00 H new ATOM 0 HB3 GLU A 86 11.879 9.046 17.483 1.00 0.00 H new ATOM 0 HG2 GLU A 86 13.497 8.155 15.682 1.00 0.00 H new ATOM 0 HG3 GLU A 86 13.971 9.817 15.394 1.00 0.00 H new ATOM 1391 N PRO A 87 12.102 10.480 13.497 1.00 0.00 N ATOM 1392 CA PRO A 87 12.808 10.523 12.184 1.00 0.00 C ATOM 1393 C PRO A 87 14.295 10.209 12.333 1.00 0.00 C ATOM 1394 O PRO A 87 14.960 10.743 13.222 1.00 0.00 O ATOM 1395 CB PRO A 87 12.611 11.965 11.714 1.00 0.00 C ATOM 1396 CG PRO A 87 12.413 12.760 12.961 1.00 0.00 C ATOM 1397 CD PRO A 87 11.732 11.832 13.956 1.00 0.00 C ATOM 0 HA PRO A 87 12.420 9.783 11.484 1.00 0.00 H new ATOM 0 HB2 PRO A 87 13.477 12.319 11.155 1.00 0.00 H new ATOM 0 HB3 PRO A 87 11.749 12.049 11.052 1.00 0.00 H new ATOM 0 HG2 PRO A 87 13.367 13.115 13.351 1.00 0.00 H new ATOM 0 HG3 PRO A 87 11.800 13.640 12.768 1.00 0.00 H new ATOM 0 HD2 PRO A 87 12.077 12.016 14.973 1.00 0.00 H new ATOM 0 HD3 PRO A 87 10.651 11.971 13.956 1.00 0.00 H new ATOM 1405 N GLY A 88 14.808 9.348 11.461 1.00 0.00 N ATOM 1406 CA GLY A 88 16.220 8.978 11.506 1.00 0.00 C ATOM 1407 C GLY A 88 16.391 7.504 11.844 1.00 0.00 C ATOM 1408 O GLY A 88 17.245 6.824 11.274 1.00 0.00 O ATOM 0 H GLY A 88 14.273 8.896 10.720 1.00 0.00 H new ATOM 0 HA2 GLY A 88 16.685 9.190 10.543 1.00 0.00 H new ATOM 0 HA3 GLY A 88 16.735 9.587 12.249 1.00 0.00 H new ATOM 1412 N VAL A 89 15.581 7.011 12.777 1.00 0.00 N ATOM 1413 CA VAL A 89 15.669 5.614 13.178 1.00 0.00 C ATOM 1414 C VAL A 89 14.677 4.766 12.388 1.00 0.00 C ATOM 1415 O VAL A 89 13.544 5.182 12.146 1.00 0.00 O ATOM 1416 CB VAL A 89 15.379 5.487 14.671 1.00 0.00 C ATOM 1417 CG1 VAL A 89 16.057 6.636 15.423 1.00 0.00 C ATOM 1418 CG2 VAL A 89 13.866 5.542 14.901 1.00 0.00 C ATOM 0 H VAL A 89 14.866 7.552 13.263 1.00 0.00 H new ATOM 0 HA VAL A 89 16.677 5.255 12.971 1.00 0.00 H new ATOM 0 HB VAL A 89 15.767 4.537 15.039 1.00 0.00 H new ATOM 0 HG11 VAL A 89 15.850 6.545 16.489 1.00 0.00 H new ATOM 0 HG12 VAL A 89 17.134 6.594 15.258 1.00 0.00 H new ATOM 0 HG13 VAL A 89 15.671 7.588 15.058 1.00 0.00 H new ATOM 0 HG21 VAL A 89 13.656 5.451 15.967 1.00 0.00 H new ATOM 0 HG22 VAL A 89 13.476 6.492 14.534 1.00 0.00 H new ATOM 0 HG23 VAL A 89 13.387 4.722 14.366 1.00 0.00 H new ATOM 1428 N THR A 90 15.110 3.574 11.986 1.00 0.00 N ATOM 1429 CA THR A 90 14.252 2.674 11.223 1.00 0.00 C ATOM 1430 C THR A 90 13.426 1.798 12.163 1.00 0.00 C ATOM 1431 O THR A 90 13.884 1.443 13.250 1.00 0.00 O ATOM 1432 CB THR A 90 15.101 1.783 10.315 1.00 0.00 C ATOM 1433 OG1 THR A 90 16.092 2.571 9.672 1.00 0.00 O ATOM 1434 CG2 THR A 90 14.210 1.121 9.262 1.00 0.00 C ATOM 0 H THR A 90 16.044 3.211 12.175 1.00 0.00 H new ATOM 0 HA THR A 90 13.578 3.277 10.614 1.00 0.00 H new ATOM 0 HB THR A 90 15.583 1.011 10.915 1.00 0.00 H new ATOM 0 HG1 THR A 90 16.638 2.000 9.091 1.00 0.00 H new ATOM 0 HG21 THR A 90 14.818 0.487 8.617 1.00 0.00 H new ATOM 0 HG22 THR A 90 13.452 0.514 9.757 1.00 0.00 H new ATOM 0 HG23 THR A 90 13.724 1.890 8.661 1.00 0.00 H new ATOM 1442 N ASN A 91 12.213 1.451 11.738 1.00 0.00 N ATOM 1443 CA ASN A 91 11.334 0.611 12.550 1.00 0.00 C ATOM 1444 C ASN A 91 10.878 -0.613 11.758 1.00 0.00 C ATOM 1445 O ASN A 91 10.549 -0.511 10.574 1.00 0.00 O ATOM 1446 CB ASN A 91 10.114 1.417 13.002 1.00 0.00 C ATOM 1447 CG ASN A 91 10.447 2.905 13.009 1.00 0.00 C ATOM 1448 OD1 ASN A 91 11.109 3.410 14.013 1.00 0.00 O flip ATOM 1449 ND2 ASN A 91 10.097 3.625 12.074 1.00 0.00 N flip ATOM 0 H ASN A 91 11.818 1.736 10.842 1.00 0.00 H new ATOM 0 HA ASN A 91 11.890 0.274 13.425 1.00 0.00 H new ATOM 0 HB2 ASN A 91 9.274 1.227 12.334 1.00 0.00 H new ATOM 0 HB3 ASN A 91 9.807 1.100 13.999 1.00 0.00 H new ATOM 0 HD21 ASN A 91 9.579 3.227 11.290 1.00 0.00 H new ATOM 0 HD22 ASN A 91 10.325 4.619 12.083 1.00 0.00 H new ATOM 1456 N ILE A 92 10.863 -1.767 12.423 1.00 0.00 N ATOM 1457 CA ILE A 92 10.446 -3.012 11.781 1.00 0.00 C ATOM 1458 C ILE A 92 8.965 -3.263 12.028 1.00 0.00 C ATOM 1459 O ILE A 92 8.565 -3.632 13.133 1.00 0.00 O ATOM 1460 CB ILE A 92 11.253 -4.185 12.339 1.00 0.00 C ATOM 1461 CG1 ILE A 92 12.730 -3.793 12.440 1.00 0.00 C ATOM 1462 CG2 ILE A 92 11.107 -5.394 11.411 1.00 0.00 C ATOM 1463 CD1 ILE A 92 13.198 -3.192 11.113 1.00 0.00 C ATOM 0 H ILE A 92 11.133 -1.866 13.402 1.00 0.00 H new ATOM 0 HA ILE A 92 10.623 -2.923 10.709 1.00 0.00 H new ATOM 0 HB ILE A 92 10.879 -4.441 13.330 1.00 0.00 H new ATOM 0 HG12 ILE A 92 12.870 -3.072 13.246 1.00 0.00 H new ATOM 0 HG13 ILE A 92 13.332 -4.668 12.686 1.00 0.00 H new ATOM 0 HG21 ILE A 92 11.682 -6.230 11.809 1.00 0.00 H new ATOM 0 HG22 ILE A 92 10.056 -5.676 11.344 1.00 0.00 H new ATOM 0 HG23 ILE A 92 11.478 -5.138 10.419 1.00 0.00 H new ATOM 0 HD11 ILE A 92 14.249 -2.915 11.190 1.00 0.00 H new ATOM 0 HD12 ILE A 92 13.074 -3.926 10.317 1.00 0.00 H new ATOM 0 HD13 ILE A 92 12.605 -2.306 10.885 1.00 0.00 H new ATOM 1475 N LEU A 93 8.155 -3.056 10.997 1.00 0.00 N ATOM 1476 CA LEU A 93 6.720 -3.256 11.114 1.00 0.00 C ATOM 1477 C LEU A 93 6.308 -4.554 10.433 1.00 0.00 C ATOM 1478 O LEU A 93 6.803 -4.889 9.360 1.00 0.00 O ATOM 1479 CB LEU A 93 5.979 -2.076 10.471 1.00 0.00 C ATOM 1480 CG LEU A 93 5.548 -1.073 11.546 1.00 0.00 C ATOM 1481 CD1 LEU A 93 6.774 -0.350 12.113 1.00 0.00 C ATOM 1482 CD2 LEU A 93 4.602 -0.043 10.927 1.00 0.00 C ATOM 0 H LEU A 93 8.468 -2.751 10.075 1.00 0.00 H new ATOM 0 HA LEU A 93 6.459 -3.316 12.171 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.625 -1.585 9.743 1.00 0.00 H new ATOM 0 HB3 LEU A 93 5.105 -2.438 9.929 1.00 0.00 H new ATOM 0 HG LEU A 93 5.043 -1.609 12.350 1.00 0.00 H new ATOM 0 HD11 LEU A 93 6.457 0.361 12.876 1.00 0.00 H new ATOM 0 HD12 LEU A 93 7.454 -1.078 12.555 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.285 0.183 11.311 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.293 0.672 11.690 1.00 0.00 H new ATOM 0 HD22 LEU A 93 5.114 0.484 10.122 1.00 0.00 H new ATOM 0 HD23 LEU A 93 3.723 -0.550 10.528 1.00 0.00 H new ATOM 1494 N LYS A 94 5.398 -5.282 11.068 1.00 0.00 N ATOM 1495 CA LYS A 94 4.924 -6.543 10.518 1.00 0.00 C ATOM 1496 C LYS A 94 3.571 -6.353 9.847 1.00 0.00 C ATOM 1497 O LYS A 94 2.682 -5.706 10.401 1.00 0.00 O ATOM 1498 CB LYS A 94 4.801 -7.580 11.632 1.00 0.00 C ATOM 1499 CG LYS A 94 4.473 -6.879 12.951 1.00 0.00 C ATOM 1500 CD LYS A 94 3.899 -7.897 13.937 1.00 0.00 C ATOM 1501 CE LYS A 94 3.569 -7.203 15.258 1.00 0.00 C ATOM 1502 NZ LYS A 94 2.129 -7.409 15.581 1.00 0.00 N ATOM 0 H LYS A 94 4.976 -5.022 11.959 1.00 0.00 H new ATOM 0 HA LYS A 94 5.641 -6.891 9.775 1.00 0.00 H new ATOM 0 HB2 LYS A 94 4.020 -8.300 11.387 1.00 0.00 H new ATOM 0 HB3 LYS A 94 5.732 -8.139 11.727 1.00 0.00 H new ATOM 0 HG2 LYS A 94 5.371 -6.421 13.365 1.00 0.00 H new ATOM 0 HG3 LYS A 94 3.755 -6.076 12.781 1.00 0.00 H new ATOM 0 HD2 LYS A 94 3.001 -8.355 13.521 1.00 0.00 H new ATOM 0 HD3 LYS A 94 4.617 -8.699 14.106 1.00 0.00 H new ATOM 0 HE2 LYS A 94 4.193 -7.603 16.057 1.00 0.00 H new ATOM 0 HE3 LYS A 94 3.788 -6.138 15.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 1.904 -6.937 16.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 1.542 -7.007 14.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 1.935 -8.427 15.667 1.00 0.00 H new ATOM 1516 N THR A 95 3.423 -6.921 8.653 1.00 0.00 N ATOM 1517 CA THR A 95 2.172 -6.806 7.915 1.00 0.00 C ATOM 1518 C THR A 95 1.472 -8.158 7.832 1.00 0.00 C ATOM 1519 O THR A 95 2.073 -9.203 8.075 1.00 0.00 O ATOM 1520 CB THR A 95 2.442 -6.270 6.509 1.00 0.00 C ATOM 1521 OG1 THR A 95 2.653 -7.356 5.618 1.00 0.00 O ATOM 1522 CG2 THR A 95 3.680 -5.377 6.536 1.00 0.00 C ATOM 0 H THR A 95 4.148 -7.461 8.180 1.00 0.00 H new ATOM 0 HA THR A 95 1.520 -6.110 8.444 1.00 0.00 H new ATOM 0 HB THR A 95 1.584 -5.689 6.169 1.00 0.00 H new ATOM 0 HG1 THR A 95 3.127 -7.038 4.821 1.00 0.00 H new ATOM 0 HG21 THR A 95 3.874 -4.994 5.534 1.00 0.00 H new ATOM 0 HG22 THR A 95 3.512 -4.543 7.217 1.00 0.00 H new ATOM 0 HG23 THR A 95 4.539 -5.956 6.876 1.00 0.00 H new ATOM 1530 N THR A 96 0.192 -8.126 7.493 1.00 0.00 N ATOM 1531 CA THR A 96 -0.592 -9.351 7.387 1.00 0.00 C ATOM 1532 C THR A 96 -0.107 -10.204 6.220 1.00 0.00 C ATOM 1533 O THR A 96 -0.255 -11.426 6.227 1.00 0.00 O ATOM 1534 CB THR A 96 -2.072 -9.009 7.187 1.00 0.00 C ATOM 1535 OG1 THR A 96 -2.858 -10.171 7.407 1.00 0.00 O ATOM 1536 CG2 THR A 96 -2.295 -8.502 5.765 1.00 0.00 C ATOM 0 H THR A 96 -0.325 -7.271 7.287 1.00 0.00 H new ATOM 0 HA THR A 96 -0.468 -9.916 8.311 1.00 0.00 H new ATOM 0 HB THR A 96 -2.364 -8.233 7.894 1.00 0.00 H new ATOM 0 HG1 THR A 96 -3.805 -9.954 7.281 1.00 0.00 H new ATOM 0 HG21 THR A 96 -3.349 -8.260 5.626 1.00 0.00 H new ATOM 0 HG22 THR A 96 -1.692 -7.609 5.598 1.00 0.00 H new ATOM 0 HG23 THR A 96 -2.004 -9.275 5.053 1.00 0.00 H new ATOM 1544 N GLN A 97 0.452 -9.547 5.210 1.00 0.00 N ATOM 1545 CA GLN A 97 0.931 -10.249 4.029 1.00 0.00 C ATOM 1546 C GLN A 97 1.875 -11.379 4.429 1.00 0.00 C ATOM 1547 O GLN A 97 2.057 -12.344 3.684 1.00 0.00 O ATOM 1548 CB GLN A 97 1.669 -9.272 3.113 1.00 0.00 C ATOM 1549 CG GLN A 97 2.287 -10.039 1.946 1.00 0.00 C ATOM 1550 CD GLN A 97 3.753 -10.344 2.235 1.00 0.00 C ATOM 1551 OE1 GLN A 97 4.618 -9.367 2.279 1.00 0.00 O flip ATOM 1552 NE2 GLN A 97 4.121 -11.503 2.428 1.00 0.00 N flip ATOM 0 H GLN A 97 0.583 -8.536 5.186 1.00 0.00 H new ATOM 0 HA GLN A 97 0.075 -10.671 3.503 1.00 0.00 H new ATOM 0 HB2 GLN A 97 0.980 -8.514 2.740 1.00 0.00 H new ATOM 0 HB3 GLN A 97 2.446 -8.749 3.671 1.00 0.00 H new ATOM 0 HG2 GLN A 97 1.740 -10.967 1.781 1.00 0.00 H new ATOM 0 HG3 GLN A 97 2.203 -9.453 1.031 1.00 0.00 H new ATOM 0 HE21 GLN A 97 3.444 -12.265 2.393 1.00 0.00 H new ATOM 0 HE22 GLN A 97 5.103 -11.701 2.623 1.00 0.00 H new ATOM 1561 N GLY A 98 2.470 -11.260 5.613 1.00 0.00 N ATOM 1562 CA GLY A 98 3.386 -12.283 6.102 1.00 0.00 C ATOM 1563 C GLY A 98 4.835 -11.861 5.892 1.00 0.00 C ATOM 1564 O GLY A 98 5.686 -12.681 5.543 1.00 0.00 O ATOM 0 H GLY A 98 2.335 -10.472 6.246 1.00 0.00 H new ATOM 0 HA2 GLY A 98 3.205 -12.462 7.162 1.00 0.00 H new ATOM 0 HA3 GLY A 98 3.198 -13.223 5.583 1.00 0.00 H new ATOM 1568 N SER A 99 5.108 -10.581 6.108 1.00 0.00 N ATOM 1569 CA SER A 99 6.460 -10.061 5.940 1.00 0.00 C ATOM 1570 C SER A 99 6.659 -8.808 6.783 1.00 0.00 C ATOM 1571 O SER A 99 5.709 -8.283 7.364 1.00 0.00 O ATOM 1572 CB SER A 99 6.713 -9.734 4.469 1.00 0.00 C ATOM 1573 OG SER A 99 6.321 -10.841 3.668 1.00 0.00 O ATOM 0 H SER A 99 4.418 -9.888 6.398 1.00 0.00 H new ATOM 0 HA SER A 99 7.167 -10.823 6.269 1.00 0.00 H new ATOM 0 HB2 SER A 99 6.152 -8.845 4.180 1.00 0.00 H new ATOM 0 HB3 SER A 99 7.768 -9.511 4.310 1.00 0.00 H new ATOM 0 HG SER A 99 6.970 -10.967 2.944 1.00 0.00 H new ATOM 1579 N LYS A 100 7.900 -8.337 6.844 1.00 0.00 N ATOM 1580 CA LYS A 100 8.218 -7.144 7.620 1.00 0.00 C ATOM 1581 C LYS A 100 8.560 -5.983 6.696 1.00 0.00 C ATOM 1582 O LYS A 100 9.187 -6.173 5.653 1.00 0.00 O ATOM 1583 CB LYS A 100 9.400 -7.418 8.552 1.00 0.00 C ATOM 1584 CG LYS A 100 10.410 -8.337 7.849 1.00 0.00 C ATOM 1585 CD LYS A 100 9.945 -9.800 7.916 1.00 0.00 C ATOM 1586 CE LYS A 100 10.917 -10.609 8.780 1.00 0.00 C ATOM 1587 NZ LYS A 100 10.351 -11.966 9.032 1.00 0.00 N ATOM 0 H LYS A 100 8.697 -8.760 6.369 1.00 0.00 H new ATOM 0 HA LYS A 100 7.343 -6.880 8.215 1.00 0.00 H new ATOM 0 HB2 LYS A 100 9.880 -6.480 8.832 1.00 0.00 H new ATOM 0 HB3 LYS A 100 9.049 -7.884 9.473 1.00 0.00 H new ATOM 0 HG2 LYS A 100 10.524 -8.033 6.808 1.00 0.00 H new ATOM 0 HG3 LYS A 100 11.389 -8.239 8.319 1.00 0.00 H new ATOM 0 HD2 LYS A 100 8.940 -9.854 8.334 1.00 0.00 H new ATOM 0 HD3 LYS A 100 9.896 -10.223 6.913 1.00 0.00 H new ATOM 0 HE2 LYS A 100 11.881 -10.693 8.279 1.00 0.00 H new ATOM 0 HE3 LYS A 100 11.093 -10.096 9.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 11.012 -12.514 9.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 9.441 -11.876 9.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 10.205 -12.455 8.126 1.00 0.00 H new ATOM 1601 N ILE A 101 8.143 -4.786 7.089 1.00 0.00 N ATOM 1602 CA ILE A 101 8.405 -3.590 6.298 1.00 0.00 C ATOM 1603 C ILE A 101 9.219 -2.584 7.113 1.00 0.00 C ATOM 1604 O ILE A 101 8.907 -2.311 8.273 1.00 0.00 O ATOM 1605 CB ILE A 101 7.077 -2.975 5.850 1.00 0.00 C ATOM 1606 CG1 ILE A 101 7.346 -1.859 4.833 1.00 0.00 C ATOM 1607 CG2 ILE A 101 6.337 -2.407 7.064 1.00 0.00 C ATOM 1608 CD1 ILE A 101 6.027 -1.370 4.217 1.00 0.00 C ATOM 0 H ILE A 101 7.622 -4.617 7.950 1.00 0.00 H new ATOM 0 HA ILE A 101 8.986 -3.859 5.416 1.00 0.00 H new ATOM 0 HB ILE A 101 6.460 -3.743 5.384 1.00 0.00 H new ATOM 0 HG12 ILE A 101 7.857 -1.029 5.320 1.00 0.00 H new ATOM 0 HG13 ILE A 101 8.008 -2.225 4.048 1.00 0.00 H new ATOM 0 HG21 ILE A 101 5.392 -1.970 6.742 1.00 0.00 H new ATOM 0 HG22 ILE A 101 6.142 -3.207 7.778 1.00 0.00 H new ATOM 0 HG23 ILE A 101 6.949 -1.639 7.537 1.00 0.00 H new ATOM 0 HD11 ILE A 101 6.233 -0.578 3.497 1.00 0.00 H new ATOM 0 HD12 ILE A 101 5.532 -2.199 3.712 1.00 0.00 H new ATOM 0 HD13 ILE A 101 5.379 -0.985 5.004 1.00 0.00 H new ATOM 1620 N PHE A 102 10.276 -2.051 6.503 1.00 0.00 N ATOM 1621 CA PHE A 102 11.144 -1.090 7.182 1.00 0.00 C ATOM 1622 C PHE A 102 10.685 0.336 6.916 1.00 0.00 C ATOM 1623 O PHE A 102 10.605 0.764 5.765 1.00 0.00 O ATOM 1624 CB PHE A 102 12.582 -1.259 6.691 1.00 0.00 C ATOM 1625 CG PHE A 102 12.819 -2.702 6.326 1.00 0.00 C ATOM 1626 CD1 PHE A 102 13.439 -3.026 5.113 1.00 0.00 C ATOM 1627 CD2 PHE A 102 12.421 -3.719 7.201 1.00 0.00 C ATOM 1628 CE1 PHE A 102 13.659 -4.365 4.775 1.00 0.00 C ATOM 1629 CE2 PHE A 102 12.639 -5.058 6.864 1.00 0.00 C ATOM 1630 CZ PHE A 102 13.260 -5.383 5.651 1.00 0.00 C ATOM 0 H PHE A 102 10.551 -2.267 5.545 1.00 0.00 H new ATOM 0 HA PHE A 102 11.093 -1.279 8.254 1.00 0.00 H new ATOM 0 HB2 PHE A 102 12.760 -0.620 5.827 1.00 0.00 H new ATOM 0 HB3 PHE A 102 13.282 -0.949 7.467 1.00 0.00 H new ATOM 0 HD1 PHE A 102 13.747 -2.241 4.438 1.00 0.00 H new ATOM 0 HD2 PHE A 102 11.945 -3.469 8.138 1.00 0.00 H new ATOM 0 HE1 PHE A 102 14.136 -4.614 3.839 1.00 0.00 H new ATOM 0 HE2 PHE A 102 12.329 -5.842 7.539 1.00 0.00 H new ATOM 0 HZ PHE A 102 13.431 -6.417 5.391 1.00 0.00 H new ATOM 1640 N LEU A 103 10.380 1.065 7.987 1.00 0.00 N ATOM 1641 CA LEU A 103 9.922 2.446 7.859 1.00 0.00 C ATOM 1642 C LEU A 103 10.939 3.398 8.460 1.00 0.00 C ATOM 1643 O LEU A 103 11.546 3.100 9.487 1.00 0.00 O ATOM 1644 CB LEU A 103 8.587 2.629 8.585 1.00 0.00 C ATOM 1645 CG LEU A 103 7.397 2.370 7.647 1.00 0.00 C ATOM 1646 CD1 LEU A 103 7.157 3.571 6.734 1.00 0.00 C ATOM 1647 CD2 LEU A 103 7.637 1.118 6.801 1.00 0.00 C ATOM 0 H LEU A 103 10.441 0.725 8.947 1.00 0.00 H new ATOM 0 HA LEU A 103 9.798 2.666 6.799 1.00 0.00 H new ATOM 0 HB2 LEU A 103 8.537 1.948 9.435 1.00 0.00 H new ATOM 0 HB3 LEU A 103 8.524 3.641 8.984 1.00 0.00 H new ATOM 0 HG LEU A 103 6.513 2.214 8.265 1.00 0.00 H new ATOM 0 HD11 LEU A 103 6.311 3.366 6.079 1.00 0.00 H new ATOM 0 HD12 LEU A 103 6.942 4.451 7.340 1.00 0.00 H new ATOM 0 HD13 LEU A 103 8.047 3.753 6.131 1.00 0.00 H new ATOM 0 HD21 LEU A 103 6.783 0.953 6.144 1.00 0.00 H new ATOM 0 HD22 LEU A 103 8.536 1.252 6.200 1.00 0.00 H new ATOM 0 HD23 LEU A 103 7.763 0.255 7.455 1.00 0.00 H new ATOM 1659 N LYS A 104 11.118 4.542 7.812 1.00 0.00 N ATOM 1660 CA LYS A 104 12.065 5.535 8.288 1.00 0.00 C ATOM 1661 C LYS A 104 11.709 6.913 7.740 1.00 0.00 C ATOM 1662 O LYS A 104 11.466 7.069 6.544 1.00 0.00 O ATOM 1663 CB LYS A 104 13.468 5.143 7.841 1.00 0.00 C ATOM 1664 CG LYS A 104 14.407 6.341 7.984 1.00 0.00 C ATOM 1665 CD LYS A 104 15.844 5.848 8.169 1.00 0.00 C ATOM 1666 CE LYS A 104 16.295 5.098 6.913 1.00 0.00 C ATOM 1667 NZ LYS A 104 16.157 5.990 5.726 1.00 0.00 N ATOM 0 H LYS A 104 10.621 4.802 6.960 1.00 0.00 H new ATOM 0 HA LYS A 104 12.026 5.577 9.377 1.00 0.00 H new ATOM 0 HB2 LYS A 104 13.832 4.309 8.442 1.00 0.00 H new ATOM 0 HB3 LYS A 104 13.449 4.805 6.805 1.00 0.00 H new ATOM 0 HG2 LYS A 104 14.340 6.975 7.100 1.00 0.00 H new ATOM 0 HG3 LYS A 104 14.108 6.950 8.837 1.00 0.00 H new ATOM 0 HD2 LYS A 104 16.507 6.692 8.359 1.00 0.00 H new ATOM 0 HD3 LYS A 104 15.905 5.193 9.038 1.00 0.00 H new ATOM 0 HE2 LYS A 104 17.331 4.776 7.021 1.00 0.00 H new ATOM 0 HE3 LYS A 104 15.694 4.199 6.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 16.794 5.664 4.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 15.175 5.965 5.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 16.406 6.964 5.993 1.00 0.00 H new ATOM 1681 N GLU A 105 11.674 7.907 8.624 1.00 0.00 N ATOM 1682 CA GLU A 105 11.341 9.269 8.223 1.00 0.00 C ATOM 1683 C GLU A 105 12.558 10.177 8.349 1.00 0.00 C ATOM 1684 O GLU A 105 13.260 10.158 9.358 1.00 0.00 O ATOM 1685 CB GLU A 105 10.209 9.807 9.103 1.00 0.00 C ATOM 1686 CG GLU A 105 8.873 9.640 8.377 1.00 0.00 C ATOM 1687 CD GLU A 105 7.722 9.773 9.368 1.00 0.00 C ATOM 1688 OE1 GLU A 105 7.930 10.374 10.409 1.00 0.00 O ATOM 1689 OE2 GLU A 105 6.650 9.271 9.072 1.00 0.00 O ATOM 0 H GLU A 105 11.871 7.795 9.618 1.00 0.00 H new ATOM 0 HA GLU A 105 11.019 9.254 7.182 1.00 0.00 H new ATOM 0 HB2 GLU A 105 10.188 9.273 10.053 1.00 0.00 H new ATOM 0 HB3 GLU A 105 10.381 10.859 9.332 1.00 0.00 H new ATOM 0 HG2 GLU A 105 8.779 10.392 7.594 1.00 0.00 H new ATOM 0 HG3 GLU A 105 8.834 8.666 7.890 1.00 0.00 H new ATOM 1696 N VAL A 106 12.805 10.971 7.315 1.00 0.00 N ATOM 1697 CA VAL A 106 13.941 11.883 7.320 1.00 0.00 C ATOM 1698 C VAL A 106 13.604 13.163 6.565 1.00 0.00 C ATOM 1699 O VAL A 106 12.883 13.132 5.568 1.00 0.00 O ATOM 1700 CB VAL A 106 15.151 11.213 6.674 1.00 0.00 C ATOM 1701 CG1 VAL A 106 16.207 12.271 6.356 1.00 0.00 C ATOM 1702 CG2 VAL A 106 15.730 10.177 7.637 1.00 0.00 C ATOM 0 H VAL A 106 12.238 11.002 6.468 1.00 0.00 H new ATOM 0 HA VAL A 106 14.175 12.135 8.354 1.00 0.00 H new ATOM 0 HB VAL A 106 14.848 10.718 5.751 1.00 0.00 H new ATOM 0 HG11 VAL A 106 17.072 11.795 5.895 1.00 0.00 H new ATOM 0 HG12 VAL A 106 15.789 13.007 5.669 1.00 0.00 H new ATOM 0 HG13 VAL A 106 16.514 12.767 7.277 1.00 0.00 H new ATOM 0 HG21 VAL A 106 16.594 9.697 7.178 1.00 0.00 H new ATOM 0 HG22 VAL A 106 16.036 10.669 8.560 1.00 0.00 H new ATOM 0 HG23 VAL A 106 14.973 9.425 7.860 1.00 0.00 H new ATOM 1712 N ASN A 107 14.132 14.283 7.045 1.00 0.00 N ATOM 1713 CA ASN A 107 13.883 15.569 6.405 1.00 0.00 C ATOM 1714 C ASN A 107 12.404 15.724 6.070 1.00 0.00 C ATOM 1715 O ASN A 107 12.048 16.159 4.975 1.00 0.00 O ATOM 1716 CB ASN A 107 14.713 15.687 5.126 1.00 0.00 C ATOM 1717 CG ASN A 107 16.195 15.783 5.473 1.00 0.00 C ATOM 1718 OD1 ASN A 107 16.548 16.149 6.594 1.00 0.00 O ATOM 1719 ND2 ASN A 107 17.088 15.473 4.574 1.00 0.00 N ATOM 0 H ASN A 107 14.731 14.327 7.869 1.00 0.00 H new ATOM 0 HA ASN A 107 14.171 16.359 7.098 1.00 0.00 H new ATOM 0 HB2 ASN A 107 14.536 14.822 4.487 1.00 0.00 H new ATOM 0 HB3 ASN A 107 14.405 16.568 4.563 1.00 0.00 H new ATOM 0 HD21 ASN A 107 18.081 15.534 4.799 1.00 0.00 H new ATOM 0 HD22 ASN A 107 16.793 15.170 3.646 1.00 0.00 H new ATOM 1726 N ASP A 108 11.546 15.366 7.019 1.00 0.00 N ATOM 1727 CA ASP A 108 10.107 15.472 6.810 1.00 0.00 C ATOM 1728 C ASP A 108 9.688 14.709 5.558 1.00 0.00 C ATOM 1729 O ASP A 108 8.772 15.123 4.849 1.00 0.00 O ATOM 1730 CB ASP A 108 9.707 16.943 6.676 1.00 0.00 C ATOM 1731 CG ASP A 108 8.258 17.133 7.113 1.00 0.00 C ATOM 1732 OD1 ASP A 108 7.402 16.449 6.575 1.00 0.00 O ATOM 1733 OD2 ASP A 108 8.025 17.961 7.979 1.00 0.00 O ATOM 0 H ASP A 108 11.819 15.003 7.932 1.00 0.00 H new ATOM 0 HA ASP A 108 9.600 15.035 7.671 1.00 0.00 H new ATOM 0 HB2 ASP A 108 10.363 17.564 7.286 1.00 0.00 H new ATOM 0 HB3 ASP A 108 9.829 17.269 5.643 1.00 0.00 H new ATOM 1738 N THR A 109 10.362 13.590 5.297 1.00 0.00 N ATOM 1739 CA THR A 109 10.048 12.767 4.131 1.00 0.00 C ATOM 1740 C THR A 109 9.868 11.313 4.542 1.00 0.00 C ATOM 1741 O THR A 109 10.740 10.729 5.184 1.00 0.00 O ATOM 1742 CB THR A 109 11.165 12.861 3.088 1.00 0.00 C ATOM 1743 OG1 THR A 109 11.527 14.222 2.906 1.00 0.00 O ATOM 1744 CG2 THR A 109 10.674 12.278 1.761 1.00 0.00 C ATOM 0 H THR A 109 11.125 13.234 5.874 1.00 0.00 H new ATOM 0 HA THR A 109 9.120 13.139 3.696 1.00 0.00 H new ATOM 0 HB THR A 109 12.033 12.298 3.431 1.00 0.00 H new ATOM 0 HG1 THR A 109 11.985 14.549 3.708 1.00 0.00 H new ATOM 0 HG21 THR A 109 11.469 12.345 1.018 1.00 0.00 H new ATOM 0 HG22 THR A 109 10.397 11.233 1.903 1.00 0.00 H new ATOM 0 HG23 THR A 109 9.806 12.840 1.416 1.00 0.00 H new ATOM 1752 N LEU A 110 8.734 10.735 4.165 1.00 0.00 N ATOM 1753 CA LEU A 110 8.457 9.344 4.500 1.00 0.00 C ATOM 1754 C LEU A 110 9.297 8.421 3.624 1.00 0.00 C ATOM 1755 O LEU A 110 9.009 8.247 2.438 1.00 0.00 O ATOM 1756 CB LEU A 110 6.970 9.043 4.300 1.00 0.00 C ATOM 1757 CG LEU A 110 6.528 7.956 5.283 1.00 0.00 C ATOM 1758 CD1 LEU A 110 5.075 7.569 5.004 1.00 0.00 C ATOM 1759 CD2 LEU A 110 7.410 6.721 5.116 1.00 0.00 C ATOM 0 H LEU A 110 7.999 11.201 3.633 1.00 0.00 H new ATOM 0 HA LEU A 110 8.715 9.174 5.545 1.00 0.00 H new ATOM 0 HB2 LEU A 110 6.382 9.948 4.454 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.790 8.716 3.276 1.00 0.00 H new ATOM 0 HG LEU A 110 6.619 8.339 6.299 1.00 0.00 H new ATOM 0 HD11 LEU A 110 4.764 6.795 5.705 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.436 8.444 5.122 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.988 7.191 3.985 1.00 0.00 H new ATOM 0 HD21 LEU A 110 7.092 5.949 5.817 1.00 0.00 H new ATOM 0 HD22 LEU A 110 7.320 6.345 4.097 1.00 0.00 H new ATOM 0 HD23 LEU A 110 8.449 6.986 5.314 1.00 0.00 H new ATOM 1771 N LEU A 111 10.336 7.837 4.214 1.00 0.00 N ATOM 1772 CA LEU A 111 11.219 6.944 3.480 1.00 0.00 C ATOM 1773 C LEU A 111 11.037 5.509 3.956 1.00 0.00 C ATOM 1774 O LEU A 111 11.273 5.189 5.121 1.00 0.00 O ATOM 1775 CB LEU A 111 12.665 7.390 3.654 1.00 0.00 C ATOM 1776 CG LEU A 111 12.892 8.585 2.732 1.00 0.00 C ATOM 1777 CD1 LEU A 111 13.904 9.535 3.333 1.00 0.00 C ATOM 1778 CD2 LEU A 111 13.417 8.106 1.385 1.00 0.00 C ATOM 0 H LEU A 111 10.584 7.967 5.195 1.00 0.00 H new ATOM 0 HA LEU A 111 10.966 6.985 2.421 1.00 0.00 H new ATOM 0 HB2 LEU A 111 12.859 7.664 4.691 1.00 0.00 H new ATOM 0 HB3 LEU A 111 13.349 6.579 3.405 1.00 0.00 H new ATOM 0 HG LEU A 111 11.941 9.101 2.603 1.00 0.00 H new ATOM 0 HD11 LEU A 111 14.053 10.381 2.662 1.00 0.00 H new ATOM 0 HD12 LEU A 111 13.539 9.895 4.295 1.00 0.00 H new ATOM 0 HD13 LEU A 111 14.851 9.015 3.477 1.00 0.00 H new ATOM 0 HD21 LEU A 111 13.577 8.963 0.731 1.00 0.00 H new ATOM 0 HD22 LEU A 111 14.360 7.578 1.529 1.00 0.00 H new ATOM 0 HD23 LEU A 111 12.690 7.433 0.930 1.00 0.00 H new ATOM 1790 N VAL A 112 10.595 4.659 3.045 1.00 0.00 N ATOM 1791 CA VAL A 112 10.355 3.254 3.367 1.00 0.00 C ATOM 1792 C VAL A 112 11.196 2.334 2.475 1.00 0.00 C ATOM 1793 O VAL A 112 11.397 2.611 1.297 1.00 0.00 O ATOM 1794 CB VAL A 112 8.860 2.916 3.235 1.00 0.00 C ATOM 1795 CG1 VAL A 112 8.196 3.674 2.068 1.00 0.00 C ATOM 1796 CG2 VAL A 112 8.703 1.410 3.025 1.00 0.00 C ATOM 0 H VAL A 112 10.394 4.912 2.077 1.00 0.00 H new ATOM 0 HA VAL A 112 10.657 3.089 4.401 1.00 0.00 H new ATOM 0 HB VAL A 112 8.362 3.227 4.153 1.00 0.00 H new ATOM 0 HG11 VAL A 112 7.141 3.405 2.012 1.00 0.00 H new ATOM 0 HG12 VAL A 112 8.288 4.748 2.232 1.00 0.00 H new ATOM 0 HG13 VAL A 112 8.688 3.406 1.133 1.00 0.00 H new ATOM 0 HG21 VAL A 112 7.645 1.164 2.931 1.00 0.00 H new ATOM 0 HG22 VAL A 112 9.227 1.113 2.117 1.00 0.00 H new ATOM 0 HG23 VAL A 112 9.125 0.878 3.878 1.00 0.00 H new ATOM 1806 N ASN A 113 11.682 1.233 3.040 1.00 0.00 N ATOM 1807 CA ASN A 113 12.484 0.286 2.269 1.00 0.00 C ATOM 1808 C ASN A 113 13.549 1.004 1.442 1.00 0.00 C ATOM 1809 O ASN A 113 14.075 0.451 0.476 1.00 0.00 O ATOM 1810 CB ASN A 113 11.570 -0.509 1.335 1.00 0.00 C ATOM 1811 CG ASN A 113 10.857 -1.608 2.114 1.00 0.00 C ATOM 1812 OD1 ASN A 113 10.735 -1.501 3.409 1.00 0.00 O flip ATOM 1813 ND2 ASN A 113 10.396 -2.588 1.529 1.00 0.00 N flip ATOM 0 H ASN A 113 11.538 0.975 4.016 1.00 0.00 H new ATOM 0 HA ASN A 113 12.987 -0.383 2.967 1.00 0.00 H new ATOM 0 HB2 ASN A 113 10.838 0.156 0.876 1.00 0.00 H new ATOM 0 HB3 ASN A 113 12.155 -0.946 0.526 1.00 0.00 H new ATOM 0 HD21 ASN A 113 10.492 -2.670 0.517 1.00 0.00 H new ATOM 0 HD22 ASN A 113 9.918 -3.318 2.056 1.00 0.00 H new ATOM 1820 N GLU A 114 13.866 2.234 1.828 1.00 0.00 N ATOM 1821 CA GLU A 114 14.875 3.012 1.115 1.00 0.00 C ATOM 1822 C GLU A 114 14.303 3.592 -0.180 1.00 0.00 C ATOM 1823 O GLU A 114 14.941 3.534 -1.232 1.00 0.00 O ATOM 1824 CB GLU A 114 16.081 2.127 0.793 1.00 0.00 C ATOM 1825 CG GLU A 114 17.357 2.970 0.825 1.00 0.00 C ATOM 1826 CD GLU A 114 18.535 2.155 0.302 1.00 0.00 C ATOM 1827 OE1 GLU A 114 18.770 1.083 0.835 1.00 0.00 O ATOM 1828 OE2 GLU A 114 19.183 2.614 -0.624 1.00 0.00 O ATOM 0 H GLU A 114 13.444 2.712 2.624 1.00 0.00 H new ATOM 0 HA GLU A 114 15.187 3.837 1.756 1.00 0.00 H new ATOM 0 HB2 GLU A 114 16.152 1.314 1.515 1.00 0.00 H new ATOM 0 HB3 GLU A 114 15.959 1.671 -0.189 1.00 0.00 H new ATOM 0 HG2 GLU A 114 17.226 3.866 0.218 1.00 0.00 H new ATOM 0 HG3 GLU A 114 17.558 3.302 1.844 1.00 0.00 H new ATOM 1835 N LEU A 115 13.100 4.152 -0.094 1.00 0.00 N ATOM 1836 CA LEU A 115 12.452 4.744 -1.262 1.00 0.00 C ATOM 1837 C LEU A 115 11.664 5.989 -0.858 1.00 0.00 C ATOM 1838 O LEU A 115 11.032 6.023 0.199 1.00 0.00 O ATOM 1839 CB LEU A 115 11.520 3.715 -1.917 1.00 0.00 C ATOM 1840 CG LEU A 115 10.146 3.730 -1.226 1.00 0.00 C ATOM 1841 CD1 LEU A 115 9.240 4.811 -1.832 1.00 0.00 C ATOM 1842 CD2 LEU A 115 9.481 2.363 -1.390 1.00 0.00 C ATOM 0 H LEU A 115 12.556 4.209 0.767 1.00 0.00 H new ATOM 0 HA LEU A 115 13.218 5.038 -1.980 1.00 0.00 H new ATOM 0 HB2 LEU A 115 11.405 3.940 -2.977 1.00 0.00 H new ATOM 0 HB3 LEU A 115 11.959 2.720 -1.849 1.00 0.00 H new ATOM 0 HG LEU A 115 10.292 3.952 -0.169 1.00 0.00 H new ATOM 0 HD11 LEU A 115 8.274 4.802 -1.327 1.00 0.00 H new ATOM 0 HD12 LEU A 115 9.706 5.788 -1.706 1.00 0.00 H new ATOM 0 HD13 LEU A 115 9.096 4.612 -2.894 1.00 0.00 H new ATOM 0 HD21 LEU A 115 8.507 2.371 -0.901 1.00 0.00 H new ATOM 0 HD22 LEU A 115 9.353 2.146 -2.450 1.00 0.00 H new ATOM 0 HD23 LEU A 115 10.109 1.596 -0.936 1.00 0.00 H new ATOM 1854 N LYS A 116 11.711 7.016 -1.695 1.00 0.00 N ATOM 1855 CA LYS A 116 11.005 8.255 -1.412 1.00 0.00 C ATOM 1856 C LYS A 116 9.520 8.092 -1.710 1.00 0.00 C ATOM 1857 O LYS A 116 9.128 7.819 -2.844 1.00 0.00 O ATOM 1858 CB LYS A 116 11.576 9.377 -2.277 1.00 0.00 C ATOM 1859 CG LYS A 116 13.087 9.481 -2.052 1.00 0.00 C ATOM 1860 CD LYS A 116 13.417 10.749 -1.261 1.00 0.00 C ATOM 1861 CE LYS A 116 13.328 11.969 -2.179 1.00 0.00 C ATOM 1862 NZ LYS A 116 14.670 12.249 -2.761 1.00 0.00 N ATOM 0 H LYS A 116 12.230 7.015 -2.573 1.00 0.00 H new ATOM 0 HA LYS A 116 11.132 8.503 -0.358 1.00 0.00 H new ATOM 0 HB2 LYS A 116 11.367 9.181 -3.329 1.00 0.00 H new ATOM 0 HB3 LYS A 116 11.095 10.323 -2.028 1.00 0.00 H new ATOM 0 HG2 LYS A 116 13.443 8.604 -1.512 1.00 0.00 H new ATOM 0 HG3 LYS A 116 13.605 9.497 -3.011 1.00 0.00 H new ATOM 0 HD2 LYS A 116 12.724 10.859 -0.427 1.00 0.00 H new ATOM 0 HD3 LYS A 116 14.418 10.674 -0.837 1.00 0.00 H new ATOM 0 HE2 LYS A 116 12.605 11.787 -2.974 1.00 0.00 H new ATOM 0 HE3 LYS A 116 12.975 12.835 -1.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 14.611 13.078 -3.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 15.348 12.439 -1.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 14.990 11.425 -3.309 1.00 0.00 H new ATOM 1876 N SER A 117 8.697 8.256 -0.686 1.00 0.00 N ATOM 1877 CA SER A 117 7.253 8.119 -0.857 1.00 0.00 C ATOM 1878 C SER A 117 6.677 9.321 -1.600 1.00 0.00 C ATOM 1879 O SER A 117 7.308 10.377 -1.673 1.00 0.00 O ATOM 1880 CB SER A 117 6.574 7.990 0.504 1.00 0.00 C ATOM 1881 OG SER A 117 7.287 7.052 1.300 1.00 0.00 O ATOM 0 H SER A 117 8.996 8.482 0.263 1.00 0.00 H new ATOM 0 HA SER A 117 7.065 7.221 -1.445 1.00 0.00 H new ATOM 0 HB2 SER A 117 6.546 8.959 1.002 1.00 0.00 H new ATOM 0 HB3 SER A 117 5.541 7.666 0.378 1.00 0.00 H new ATOM 0 HG SER A 117 8.136 7.447 1.589 1.00 0.00 H new ATOM 1887 N LYS A 118 5.474 9.155 -2.149 1.00 0.00 N ATOM 1888 CA LYS A 118 4.824 10.234 -2.882 1.00 0.00 C ATOM 1889 C LYS A 118 3.801 10.938 -1.998 1.00 0.00 C ATOM 1890 O LYS A 118 3.783 12.166 -1.911 1.00 0.00 O ATOM 1891 CB LYS A 118 4.122 9.678 -4.123 1.00 0.00 C ATOM 1892 CG LYS A 118 5.165 9.089 -5.078 1.00 0.00 C ATOM 1893 CD LYS A 118 5.233 9.911 -6.373 1.00 0.00 C ATOM 1894 CE LYS A 118 5.838 11.291 -6.093 1.00 0.00 C ATOM 1895 NZ LYS A 118 6.219 11.934 -7.383 1.00 0.00 N ATOM 0 H LYS A 118 4.936 8.290 -2.099 1.00 0.00 H new ATOM 0 HA LYS A 118 5.587 10.950 -3.186 1.00 0.00 H new ATOM 0 HB2 LYS A 118 3.403 8.911 -3.835 1.00 0.00 H new ATOM 0 HB3 LYS A 118 3.562 10.469 -4.622 1.00 0.00 H new ATOM 0 HG2 LYS A 118 6.143 9.077 -4.596 1.00 0.00 H new ATOM 0 HG3 LYS A 118 4.911 8.055 -5.310 1.00 0.00 H new ATOM 0 HD2 LYS A 118 5.835 9.386 -7.115 1.00 0.00 H new ATOM 0 HD3 LYS A 118 4.234 10.023 -6.794 1.00 0.00 H new ATOM 0 HE2 LYS A 118 5.119 11.915 -5.561 1.00 0.00 H new ATOM 0 HE3 LYS A 118 6.713 11.193 -5.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 6.630 12.871 -7.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 6.918 11.341 -7.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 5.375 12.040 -7.981 1.00 0.00 H new ATOM 1909 N GLU A 119 2.952 10.154 -1.343 1.00 0.00 N ATOM 1910 CA GLU A 119 1.932 10.722 -0.469 1.00 0.00 C ATOM 1911 C GLU A 119 1.485 9.694 0.558 1.00 0.00 C ATOM 1912 O GLU A 119 1.451 8.499 0.280 1.00 0.00 O ATOM 1913 CB GLU A 119 0.729 11.180 -1.297 1.00 0.00 C ATOM 1914 CG GLU A 119 0.088 12.404 -0.638 1.00 0.00 C ATOM 1915 CD GLU A 119 -1.350 12.565 -1.120 1.00 0.00 C ATOM 1916 OE1 GLU A 119 -1.698 11.931 -2.103 1.00 0.00 O ATOM 1917 OE2 GLU A 119 -2.082 13.316 -0.498 1.00 0.00 O ATOM 0 H GLU A 119 2.949 9.136 -1.399 1.00 0.00 H new ATOM 0 HA GLU A 119 2.358 11.580 0.051 1.00 0.00 H new ATOM 0 HB2 GLU A 119 1.045 11.424 -2.311 1.00 0.00 H new ATOM 0 HB3 GLU A 119 0.000 10.373 -1.375 1.00 0.00 H new ATOM 0 HG2 GLU A 119 0.106 12.294 0.446 1.00 0.00 H new ATOM 0 HG3 GLU A 119 0.663 13.299 -0.878 1.00 0.00 H new ATOM 1924 N SER A 120 1.151 10.167 1.751 1.00 0.00 N ATOM 1925 CA SER A 120 0.711 9.274 2.813 1.00 0.00 C ATOM 1926 C SER A 120 0.084 10.064 3.947 1.00 0.00 C ATOM 1927 O SER A 120 0.090 11.294 3.931 1.00 0.00 O ATOM 1928 CB SER A 120 1.899 8.476 3.352 1.00 0.00 C ATOM 1929 OG SER A 120 2.610 9.275 4.288 1.00 0.00 O ATOM 0 H SER A 120 1.176 11.154 2.006 1.00 0.00 H new ATOM 0 HA SER A 120 -0.032 8.591 2.400 1.00 0.00 H new ATOM 0 HB2 SER A 120 1.551 7.559 3.828 1.00 0.00 H new ATOM 0 HB3 SER A 120 2.556 8.181 2.534 1.00 0.00 H new ATOM 0 HG SER A 120 3.304 9.785 3.821 1.00 0.00 H new ATOM 1935 N ASP A 121 -0.455 9.343 4.929 1.00 0.00 N ATOM 1936 CA ASP A 121 -1.086 9.980 6.084 1.00 0.00 C ATOM 1937 C ASP A 121 -2.526 10.345 5.761 1.00 0.00 C ATOM 1938 O ASP A 121 -3.277 10.783 6.632 1.00 0.00 O ATOM 1939 CB ASP A 121 -0.317 11.243 6.487 1.00 0.00 C ATOM 1940 CG ASP A 121 -0.420 11.464 7.990 1.00 0.00 C ATOM 1941 OD1 ASP A 121 -1.527 11.657 8.465 1.00 0.00 O ATOM 1942 OD2 ASP A 121 0.609 11.441 8.644 1.00 0.00 O ATOM 0 H ASP A 121 -0.468 8.323 4.949 1.00 0.00 H new ATOM 0 HA ASP A 121 -1.070 9.274 6.914 1.00 0.00 H new ATOM 0 HB2 ASP A 121 0.729 11.149 6.197 1.00 0.00 H new ATOM 0 HB3 ASP A 121 -0.718 12.107 5.957 1.00 0.00 H new ATOM 1947 N ILE A 122 -2.908 10.152 4.504 1.00 0.00 N ATOM 1948 CA ILE A 122 -4.265 10.457 4.084 1.00 0.00 C ATOM 1949 C ILE A 122 -5.246 9.711 4.976 1.00 0.00 C ATOM 1950 O ILE A 122 -5.286 8.483 4.987 1.00 0.00 O ATOM 1951 CB ILE A 122 -4.476 10.047 2.632 1.00 0.00 C ATOM 1952 CG1 ILE A 122 -3.732 11.006 1.691 1.00 0.00 C ATOM 1953 CG2 ILE A 122 -5.968 10.074 2.303 1.00 0.00 C ATOM 1954 CD1 ILE A 122 -2.217 10.818 1.815 1.00 0.00 C ATOM 0 H ILE A 122 -2.303 9.790 3.767 1.00 0.00 H new ATOM 0 HA ILE A 122 -4.432 11.531 4.170 1.00 0.00 H new ATOM 0 HB ILE A 122 -4.085 9.039 2.494 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -4.043 10.828 0.662 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -3.997 12.036 1.930 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -6.117 9.780 1.264 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -6.497 9.380 2.956 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -6.356 11.081 2.455 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -1.708 11.507 1.140 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -1.908 11.020 2.841 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -1.955 9.793 1.553 1.00 0.00 H new ATOM 1966 N MET A 123 -6.018 10.470 5.724 1.00 0.00 N ATOM 1967 CA MET A 123 -7.000 9.901 6.644 1.00 0.00 C ATOM 1968 C MET A 123 -8.240 9.447 5.889 1.00 0.00 C ATOM 1969 O MET A 123 -8.976 10.264 5.333 1.00 0.00 O ATOM 1970 CB MET A 123 -7.395 10.941 7.696 1.00 0.00 C ATOM 1971 CG MET A 123 -7.103 10.403 9.097 1.00 0.00 C ATOM 1972 SD MET A 123 -8.173 8.982 9.425 1.00 0.00 S ATOM 1973 CE MET A 123 -6.873 7.790 9.825 1.00 0.00 C ATOM 0 H MET A 123 -5.990 11.490 5.718 1.00 0.00 H new ATOM 0 HA MET A 123 -6.551 9.038 7.136 1.00 0.00 H new ATOM 0 HB2 MET A 123 -6.843 11.866 7.530 1.00 0.00 H new ATOM 0 HB3 MET A 123 -8.454 11.181 7.603 1.00 0.00 H new ATOM 0 HG2 MET A 123 -6.056 10.111 9.176 1.00 0.00 H new ATOM 0 HG3 MET A 123 -7.274 11.181 9.841 1.00 0.00 H new ATOM 0 HE1 MET A 123 -7.309 6.796 9.924 1.00 0.00 H new ATOM 0 HE2 MET A 123 -6.129 7.783 9.029 1.00 0.00 H new ATOM 0 HE3 MET A 123 -6.397 8.072 10.764 1.00 0.00 H new ATOM 1983 N THR A 124 -8.467 8.141 5.874 1.00 0.00 N ATOM 1984 CA THR A 124 -9.622 7.583 5.185 1.00 0.00 C ATOM 1985 C THR A 124 -10.793 7.443 6.146 1.00 0.00 C ATOM 1986 O THR A 124 -10.712 7.849 7.305 1.00 0.00 O ATOM 1987 CB THR A 124 -9.276 6.211 4.606 1.00 0.00 C ATOM 1988 OG1 THR A 124 -9.108 5.284 5.668 1.00 0.00 O ATOM 1989 CG2 THR A 124 -7.981 6.303 3.799 1.00 0.00 C ATOM 0 H THR A 124 -7.870 7.451 6.329 1.00 0.00 H new ATOM 0 HA THR A 124 -9.900 8.258 4.376 1.00 0.00 H new ATOM 0 HB THR A 124 -10.083 5.879 3.953 1.00 0.00 H new ATOM 0 HG1 THR A 124 -8.887 4.403 5.301 1.00 0.00 H new ATOM 0 HG21 THR A 124 -7.738 5.323 3.388 1.00 0.00 H new ATOM 0 HG22 THR A 124 -8.110 7.016 2.985 1.00 0.00 H new ATOM 0 HG23 THR A 124 -7.171 6.635 4.448 1.00 0.00 H new ATOM 1997 N THR A 125 -11.882 6.867 5.656 1.00 0.00 N ATOM 1998 CA THR A 125 -13.067 6.676 6.480 1.00 0.00 C ATOM 1999 C THR A 125 -12.979 5.368 7.260 1.00 0.00 C ATOM 2000 O THR A 125 -13.854 5.061 8.069 1.00 0.00 O ATOM 2001 CB THR A 125 -14.314 6.666 5.597 1.00 0.00 C ATOM 2002 OG1 THR A 125 -14.201 5.626 4.633 1.00 0.00 O ATOM 2003 CG2 THR A 125 -14.443 8.012 4.884 1.00 0.00 C ATOM 0 H THR A 125 -11.970 6.526 4.699 1.00 0.00 H new ATOM 0 HA THR A 125 -13.129 7.500 7.191 1.00 0.00 H new ATOM 0 HB THR A 125 -15.197 6.496 6.213 1.00 0.00 H new ATOM 0 HG1 THR A 125 -14.721 4.849 4.928 1.00 0.00 H new ATOM 0 HG21 THR A 125 -15.332 8.006 4.254 1.00 0.00 H new ATOM 0 HG22 THR A 125 -14.527 8.809 5.623 1.00 0.00 H new ATOM 0 HG23 THR A 125 -13.561 8.182 4.266 1.00 0.00 H new ATOM 2011 N ASN A 126 -11.922 4.599 7.007 1.00 0.00 N ATOM 2012 CA ASN A 126 -11.738 3.323 7.694 1.00 0.00 C ATOM 2013 C ASN A 126 -10.313 3.183 8.219 1.00 0.00 C ATOM 2014 O ASN A 126 -10.006 2.246 8.953 1.00 0.00 O ATOM 2015 CB ASN A 126 -12.033 2.173 6.730 1.00 0.00 C ATOM 2016 CG ASN A 126 -13.045 2.620 5.681 1.00 0.00 C ATOM 2017 OD1 ASN A 126 -12.625 3.067 4.530 1.00 0.00 O flip ATOM 2018 ND2 ASN A 126 -14.252 2.562 5.918 1.00 0.00 N flip ATOM 0 H ASN A 126 -11.188 4.834 6.339 1.00 0.00 H new ATOM 0 HA ASN A 126 -12.426 3.290 8.539 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -11.112 1.849 6.245 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -12.422 1.316 7.281 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -14.579 2.212 6.819 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -14.925 2.864 5.214 1.00 0.00 H new ATOM 2025 N GLY A 127 -9.447 4.119 7.847 1.00 0.00 N ATOM 2026 CA GLY A 127 -8.060 4.076 8.300 1.00 0.00 C ATOM 2027 C GLY A 127 -7.216 5.132 7.597 1.00 0.00 C ATOM 2028 O GLY A 127 -7.684 6.243 7.352 1.00 0.00 O ATOM 0 H GLY A 127 -9.675 4.907 7.241 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -8.022 4.235 9.378 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -7.643 3.087 8.109 1.00 0.00 H new ATOM 2032 N VAL A 128 -5.969 4.779 7.274 1.00 0.00 N ATOM 2033 CA VAL A 128 -5.070 5.714 6.596 1.00 0.00 C ATOM 2034 C VAL A 128 -4.566 5.120 5.289 1.00 0.00 C ATOM 2035 O VAL A 128 -4.731 3.925 5.036 1.00 0.00 O ATOM 2036 CB VAL A 128 -3.884 6.062 7.503 1.00 0.00 C ATOM 2037 CG1 VAL A 128 -2.725 5.100 7.243 1.00 0.00 C ATOM 2038 CG2 VAL A 128 -3.424 7.497 7.221 1.00 0.00 C ATOM 0 H VAL A 128 -5.563 3.864 7.468 1.00 0.00 H new ATOM 0 HA VAL A 128 -5.627 6.624 6.374 1.00 0.00 H new ATOM 0 HB VAL A 128 -4.197 5.974 8.543 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -1.887 5.356 7.892 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -3.046 4.079 7.450 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -2.414 5.178 6.201 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -2.581 7.742 7.867 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -3.119 7.583 6.178 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -4.244 8.187 7.417 1.00 0.00 H new ATOM 2048 N ILE A 129 -3.961 5.965 4.462 1.00 0.00 N ATOM 2049 CA ILE A 129 -3.443 5.521 3.178 1.00 0.00 C ATOM 2050 C ILE A 129 -1.961 5.883 3.031 1.00 0.00 C ATOM 2051 O ILE A 129 -1.494 6.891 3.580 1.00 0.00 O ATOM 2052 CB ILE A 129 -4.275 6.170 2.055 1.00 0.00 C ATOM 2053 CG1 ILE A 129 -5.199 5.115 1.439 1.00 0.00 C ATOM 2054 CG2 ILE A 129 -3.365 6.740 0.951 1.00 0.00 C ATOM 2055 CD1 ILE A 129 -6.205 5.794 0.503 1.00 0.00 C ATOM 0 H ILE A 129 -3.819 6.956 4.658 1.00 0.00 H new ATOM 0 HA ILE A 129 -3.523 4.436 3.112 1.00 0.00 H new ATOM 0 HB ILE A 129 -4.857 6.985 2.485 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -4.612 4.381 0.887 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -5.726 4.575 2.226 1.00 0.00 H new ATOM 0 HG21 ILE A 129 -3.978 7.192 0.171 1.00 0.00 H new ATOM 0 HG22 ILE A 129 -2.705 7.496 1.377 1.00 0.00 H new ATOM 0 HG23 ILE A 129 -2.767 5.936 0.522 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -6.861 5.041 0.066 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -6.801 6.511 1.068 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -5.669 6.314 -0.292 1.00 0.00 H new ATOM 2067 N HIS A 130 -1.235 5.069 2.261 1.00 0.00 N ATOM 2068 CA HIS A 130 0.175 5.329 2.011 1.00 0.00 C ATOM 2069 C HIS A 130 0.472 5.101 0.537 1.00 0.00 C ATOM 2070 O HIS A 130 0.482 3.971 0.063 1.00 0.00 O ATOM 2071 CB HIS A 130 1.049 4.411 2.869 1.00 0.00 C ATOM 2072 CG HIS A 130 2.497 4.826 2.787 1.00 0.00 C ATOM 2073 ND1 HIS A 130 3.402 4.510 3.789 1.00 0.00 N ATOM 2074 CD2 HIS A 130 3.218 5.509 1.836 1.00 0.00 C ATOM 2075 CE1 HIS A 130 4.600 4.997 3.423 1.00 0.00 C ATOM 2076 NE2 HIS A 130 4.544 5.619 2.244 1.00 0.00 N ATOM 0 H HIS A 130 -1.601 4.233 1.806 1.00 0.00 H new ATOM 0 HA HIS A 130 0.400 6.362 2.275 1.00 0.00 H new ATOM 0 HB2 HIS A 130 0.714 4.445 3.906 1.00 0.00 H new ATOM 0 HB3 HIS A 130 0.941 3.380 2.533 1.00 0.00 H new ATOM 0 HD1 HIS A 130 3.196 4.000 4.648 1.00 0.00 H new ATOM 0 HD2 HIS A 130 2.816 5.900 0.913 1.00 0.00 H new ATOM 0 HE1 HIS A 130 5.500 4.897 4.012 1.00 0.00 H new ATOM 0 HE2 HIS A 130 5.309 6.077 1.748 1.00 0.00 H new ATOM 2085 N VAL A 131 0.726 6.192 -0.170 1.00 0.00 N ATOM 2086 CA VAL A 131 1.028 6.123 -1.594 1.00 0.00 C ATOM 2087 C VAL A 131 2.528 6.150 -1.834 1.00 0.00 C ATOM 2088 O VAL A 131 3.220 7.071 -1.387 1.00 0.00 O ATOM 2089 CB VAL A 131 0.389 7.304 -2.322 1.00 0.00 C ATOM 2090 CG1 VAL A 131 0.625 7.159 -3.826 1.00 0.00 C ATOM 2091 CG2 VAL A 131 -1.115 7.331 -2.033 1.00 0.00 C ATOM 0 H VAL A 131 0.729 7.135 0.218 1.00 0.00 H new ATOM 0 HA VAL A 131 0.624 5.186 -1.977 1.00 0.00 H new ATOM 0 HB VAL A 131 0.837 8.235 -1.974 1.00 0.00 H new ATOM 0 HG11 VAL A 131 0.170 8.000 -4.348 1.00 0.00 H new ATOM 0 HG12 VAL A 131 1.696 7.144 -4.026 1.00 0.00 H new ATOM 0 HG13 VAL A 131 0.177 6.229 -4.177 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -1.570 8.174 -2.553 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -1.569 6.403 -2.380 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -1.278 7.436 -0.960 1.00 0.00 H new ATOM 2101 N VAL A 132 3.020 5.142 -2.551 1.00 0.00 N ATOM 2102 CA VAL A 132 4.451 5.065 -2.855 1.00 0.00 C ATOM 2103 C VAL A 132 4.687 4.957 -4.358 1.00 0.00 C ATOM 2104 O VAL A 132 3.738 4.875 -5.138 1.00 0.00 O ATOM 2105 CB VAL A 132 5.079 3.861 -2.152 1.00 0.00 C ATOM 2106 CG1 VAL A 132 5.121 4.108 -0.641 1.00 0.00 C ATOM 2107 CG2 VAL A 132 4.244 2.615 -2.441 1.00 0.00 C ATOM 0 H VAL A 132 2.461 4.377 -2.928 1.00 0.00 H new ATOM 0 HA VAL A 132 4.919 5.981 -2.493 1.00 0.00 H new ATOM 0 HB VAL A 132 6.094 3.716 -2.521 1.00 0.00 H new ATOM 0 HG11 VAL A 132 5.569 3.248 -0.144 1.00 0.00 H new ATOM 0 HG12 VAL A 132 5.716 4.997 -0.434 1.00 0.00 H new ATOM 0 HG13 VAL A 132 4.107 4.255 -0.268 1.00 0.00 H new ATOM 0 HG21 VAL A 132 4.689 1.755 -1.941 1.00 0.00 H new ATOM 0 HG22 VAL A 132 3.229 2.764 -2.073 1.00 0.00 H new ATOM 0 HG23 VAL A 132 4.217 2.436 -3.516 1.00 0.00 H new ATOM 2117 N ASP A 133 5.961 4.964 -4.757 1.00 0.00 N ATOM 2118 CA ASP A 133 6.315 4.872 -6.172 1.00 0.00 C ATOM 2119 C ASP A 133 7.207 3.660 -6.442 1.00 0.00 C ATOM 2120 O ASP A 133 8.216 3.763 -7.140 1.00 0.00 O ATOM 2121 CB ASP A 133 7.034 6.149 -6.619 1.00 0.00 C ATOM 2122 CG ASP A 133 8.031 6.590 -5.554 1.00 0.00 C ATOM 2123 OD1 ASP A 133 8.217 7.787 -5.405 1.00 0.00 O ATOM 2124 OD2 ASP A 133 8.596 5.727 -4.903 1.00 0.00 O ATOM 0 H ASP A 133 6.758 5.032 -4.124 1.00 0.00 H new ATOM 0 HA ASP A 133 5.393 4.754 -6.741 1.00 0.00 H new ATOM 0 HB2 ASP A 133 7.552 5.973 -7.562 1.00 0.00 H new ATOM 0 HB3 ASP A 133 6.307 6.941 -6.798 1.00 0.00 H new ATOM 2129 N LYS A 134 6.820 2.509 -5.904 1.00 0.00 N ATOM 2130 CA LYS A 134 7.582 1.289 -6.116 1.00 0.00 C ATOM 2131 C LYS A 134 6.795 0.088 -5.602 1.00 0.00 C ATOM 2132 O LYS A 134 6.124 0.164 -4.573 1.00 0.00 O ATOM 2133 CB LYS A 134 8.943 1.394 -5.416 1.00 0.00 C ATOM 2134 CG LYS A 134 9.320 0.054 -4.767 1.00 0.00 C ATOM 2135 CD LYS A 134 10.777 0.085 -4.303 1.00 0.00 C ATOM 2136 CE LYS A 134 10.986 -1.014 -3.260 1.00 0.00 C ATOM 2137 NZ LYS A 134 10.778 -0.455 -1.894 1.00 0.00 N ATOM 0 H LYS A 134 5.989 2.397 -5.323 1.00 0.00 H new ATOM 0 HA LYS A 134 7.756 1.153 -7.183 1.00 0.00 H new ATOM 0 HB2 LYS A 134 9.708 1.683 -6.137 1.00 0.00 H new ATOM 0 HB3 LYS A 134 8.909 2.175 -4.657 1.00 0.00 H new ATOM 0 HG2 LYS A 134 8.665 -0.145 -3.919 1.00 0.00 H new ATOM 0 HG3 LYS A 134 9.175 -0.758 -5.480 1.00 0.00 H new ATOM 0 HD2 LYS A 134 11.446 -0.067 -5.150 1.00 0.00 H new ATOM 0 HD3 LYS A 134 11.017 1.059 -3.878 1.00 0.00 H new ATOM 0 HE2 LYS A 134 10.291 -1.834 -3.438 1.00 0.00 H new ATOM 0 HE3 LYS A 134 11.992 -1.424 -3.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 10.987 -1.186 -1.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 11.412 0.357 -1.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 9.790 -0.146 -1.792 1.00 0.00 H new ATOM 2151 N LEU A 135 6.888 -1.022 -6.325 1.00 0.00 N ATOM 2152 CA LEU A 135 6.184 -2.234 -5.935 1.00 0.00 C ATOM 2153 C LEU A 135 6.950 -2.962 -4.839 1.00 0.00 C ATOM 2154 O LEU A 135 8.042 -3.479 -5.070 1.00 0.00 O ATOM 2155 CB LEU A 135 6.026 -3.161 -7.143 1.00 0.00 C ATOM 2156 CG LEU A 135 4.961 -4.222 -6.842 1.00 0.00 C ATOM 2157 CD1 LEU A 135 3.569 -3.582 -6.798 1.00 0.00 C ATOM 2158 CD2 LEU A 135 4.992 -5.292 -7.936 1.00 0.00 C ATOM 0 H LEU A 135 7.440 -1.106 -7.178 1.00 0.00 H new ATOM 0 HA LEU A 135 5.200 -1.955 -5.559 1.00 0.00 H new ATOM 0 HB2 LEU A 135 5.740 -2.584 -8.022 1.00 0.00 H new ATOM 0 HB3 LEU A 135 6.977 -3.641 -7.372 1.00 0.00 H new ATOM 0 HG LEU A 135 5.173 -4.673 -5.873 1.00 0.00 H new ATOM 0 HD11 LEU A 135 2.823 -4.347 -6.583 1.00 0.00 H new ATOM 0 HD12 LEU A 135 3.543 -2.821 -6.018 1.00 0.00 H new ATOM 0 HD13 LEU A 135 3.350 -3.122 -7.761 1.00 0.00 H new ATOM 0 HD21 LEU A 135 4.236 -6.049 -7.726 1.00 0.00 H new ATOM 0 HD22 LEU A 135 4.786 -4.831 -8.902 1.00 0.00 H new ATOM 0 HD23 LEU A 135 5.976 -5.759 -7.960 1.00 0.00 H new ATOM 2170 N LEU A 136 6.370 -2.998 -3.646 1.00 0.00 N ATOM 2171 CA LEU A 136 7.012 -3.670 -2.524 1.00 0.00 C ATOM 2172 C LEU A 136 7.011 -5.183 -2.740 1.00 0.00 C ATOM 2173 O LEU A 136 6.084 -5.877 -2.324 1.00 0.00 O ATOM 2174 CB LEU A 136 6.276 -3.328 -1.227 1.00 0.00 C ATOM 2175 CG LEU A 136 6.832 -2.022 -0.648 1.00 0.00 C ATOM 2176 CD1 LEU A 136 5.863 -1.479 0.400 1.00 0.00 C ATOM 2177 CD2 LEU A 136 8.198 -2.271 0.002 1.00 0.00 C ATOM 0 H LEU A 136 5.467 -2.575 -3.432 1.00 0.00 H new ATOM 0 HA LEU A 136 8.045 -3.328 -2.453 1.00 0.00 H new ATOM 0 HB2 LEU A 136 5.208 -3.226 -1.419 1.00 0.00 H new ATOM 0 HB3 LEU A 136 6.395 -4.137 -0.506 1.00 0.00 H new ATOM 0 HG LEU A 136 6.949 -1.297 -1.454 1.00 0.00 H new ATOM 0 HD11 LEU A 136 6.257 -0.550 0.813 1.00 0.00 H new ATOM 0 HD12 LEU A 136 4.895 -1.289 -0.064 1.00 0.00 H new ATOM 0 HD13 LEU A 136 5.745 -2.210 1.200 1.00 0.00 H new ATOM 0 HD21 LEU A 136 8.583 -1.336 0.410 1.00 0.00 H new ATOM 0 HD22 LEU A 136 8.091 -3.000 0.805 1.00 0.00 H new ATOM 0 HD23 LEU A 136 8.892 -2.654 -0.746 1.00 0.00 H new ATOM 2189 N TYR A 137 8.054 -5.683 -3.398 1.00 0.00 N ATOM 2190 CA TYR A 137 8.167 -7.114 -3.672 1.00 0.00 C ATOM 2191 C TYR A 137 8.159 -7.912 -2.369 1.00 0.00 C ATOM 2192 O TYR A 137 8.436 -7.354 -1.310 1.00 0.00 O ATOM 2193 CB TYR A 137 9.460 -7.411 -4.433 1.00 0.00 C ATOM 2194 CG TYR A 137 10.018 -6.131 -5.004 1.00 0.00 C ATOM 2195 CD1 TYR A 137 9.421 -5.551 -6.129 1.00 0.00 C ATOM 2196 CD2 TYR A 137 11.136 -5.531 -4.414 1.00 0.00 C ATOM 2197 CE1 TYR A 137 9.941 -4.366 -6.663 1.00 0.00 C ATOM 2198 CE2 TYR A 137 11.656 -4.346 -4.948 1.00 0.00 C ATOM 2199 CZ TYR A 137 11.059 -3.764 -6.072 1.00 0.00 C ATOM 2200 OH TYR A 137 11.572 -2.597 -6.598 1.00 0.00 O ATOM 0 H TYR A 137 8.830 -5.122 -3.750 1.00 0.00 H new ATOM 0 HA TYR A 137 7.312 -7.409 -4.280 1.00 0.00 H new ATOM 0 HB2 TYR A 137 10.189 -7.871 -3.766 1.00 0.00 H new ATOM 0 HB3 TYR A 137 9.266 -8.124 -5.234 1.00 0.00 H new ATOM 0 HD1 TYR A 137 8.560 -6.017 -6.585 1.00 0.00 H new ATOM 0 HD2 TYR A 137 11.597 -5.982 -3.548 1.00 0.00 H new ATOM 0 HE1 TYR A 137 9.480 -3.916 -7.530 1.00 0.00 H new ATOM 0 HE2 TYR A 137 12.518 -3.881 -4.493 1.00 0.00 H new ATOM 0 HH TYR A 137 12.346 -2.312 -6.069 1.00 0.00 H new ATOM 2210 N PRO A 138 7.848 -9.193 -2.423 1.00 0.00 N ATOM 2211 CA PRO A 138 7.827 -10.069 -1.208 1.00 0.00 C ATOM 2212 C PRO A 138 9.105 -9.950 -0.371 1.00 0.00 C ATOM 2213 O PRO A 138 9.727 -8.892 -0.304 1.00 0.00 O ATOM 2214 CB PRO A 138 7.708 -11.484 -1.779 1.00 0.00 C ATOM 2215 CG PRO A 138 7.073 -11.326 -3.118 1.00 0.00 C ATOM 2216 CD PRO A 138 7.478 -9.949 -3.640 1.00 0.00 C ATOM 0 HA PRO A 138 7.015 -9.793 -0.535 1.00 0.00 H new ATOM 0 HB2 PRO A 138 8.687 -11.956 -1.863 1.00 0.00 H new ATOM 0 HB3 PRO A 138 7.103 -12.118 -1.131 1.00 0.00 H new ATOM 0 HG2 PRO A 138 7.405 -12.110 -3.798 1.00 0.00 H new ATOM 0 HG3 PRO A 138 5.989 -11.407 -3.043 1.00 0.00 H new ATOM 0 HD2 PRO A 138 8.314 -10.017 -4.336 1.00 0.00 H new ATOM 0 HD3 PRO A 138 6.658 -9.468 -4.173 1.00 0.00 H new ATOM 2224 N ALA A 139 9.492 -11.051 0.264 1.00 0.00 N ATOM 2225 CA ALA A 139 10.695 -11.063 1.094 1.00 0.00 C ATOM 2226 C ALA A 139 11.777 -11.932 0.461 1.00 0.00 C ATOM 2227 O ALA A 139 12.178 -11.709 -0.681 1.00 0.00 O ATOM 2228 CB ALA A 139 10.362 -11.595 2.488 1.00 0.00 C ATOM 0 H ALA A 139 8.996 -11.941 0.222 1.00 0.00 H new ATOM 0 HA ALA A 139 11.067 -10.042 1.174 1.00 0.00 H new ATOM 0 HB1 ALA A 139 11.264 -11.601 3.100 1.00 0.00 H new ATOM 0 HB2 ALA A 139 9.612 -10.954 2.952 1.00 0.00 H new ATOM 0 HB3 ALA A 139 9.972 -12.610 2.407 1.00 0.00 H new ATOM 2234 N ASP A 140 12.248 -12.921 1.213 1.00 0.00 N ATOM 2235 CA ASP A 140 13.287 -13.816 0.718 1.00 0.00 C ATOM 2236 C ASP A 140 12.669 -14.974 -0.060 1.00 0.00 C ATOM 2237 O ASP A 140 11.636 -15.516 0.332 1.00 0.00 O ATOM 2238 CB ASP A 140 14.104 -14.363 1.889 1.00 0.00 C ATOM 2239 CG ASP A 140 15.044 -15.460 1.398 1.00 0.00 C ATOM 2240 OD1 ASP A 140 14.758 -16.616 1.655 1.00 0.00 O ATOM 2241 OD2 ASP A 140 16.035 -15.125 0.772 1.00 0.00 O ATOM 0 H ASP A 140 11.929 -13.122 2.161 1.00 0.00 H new ATOM 0 HA ASP A 140 13.940 -13.253 0.051 1.00 0.00 H new ATOM 0 HB2 ASP A 140 14.678 -13.559 2.350 1.00 0.00 H new ATOM 0 HB3 ASP A 140 13.438 -14.759 2.655 1.00 0.00 H new TER 2246 ASP A 140