USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 555 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 72 HIS : no HD1:sc= -0.0618 X(o=-0.062,f=0) USER MOD Set 1.2: A 73 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 31 HIS : no HD1:sc= 0 X(o=-0.26,f=-0.28) USER MOD Set 2.2: A 40 MET CE :methyl -122:sc= -0.256 (180deg=-3.21!) USER MOD Set 3.1: A 16 SER OG : rot 180:sc= 0.556 USER MOD Set 3.2: A 19 SER OG : rot 158:sc= 0.61 USER MOD Set 4.1: A 4 HIS : no HD1:sc=-0.00536 K(o=-1.4,f=-8.7!) USER MOD Set 4.2: A 46 ASN : amide:sc= -1.37! C(o=-1.4!,f=-6.2!) USER MOD Set 5.1: A 1 MET CE :methyl -124:sc= -0.637 (180deg=-0.931) USER MOD Set 5.2: A 24 THR OG1 : rot -120:sc= -0.0813 USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -1 GLN :FLIP amide:sc= -1.91! C(o=-2.8!,f=-1.9!) USER MOD Single : A -1 GLN N :NH3+ 139:sc= 0.0826 (180deg=-0.116) USER MOD Single : A 13 LYS NZ :NH3+ -133:sc= -0.0797 (180deg=-0.482) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 MET CE :methyl -161:sc= -0.185 (180deg=-0.733) USER MOD Single : A 23 SER OG : rot -82:sc= 1.24 USER MOD Single : A 26 SER OG : rot -157:sc= 1.24 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 33 THR OG1 : rot -88:sc= 1.04 USER MOD Single : A 34 ASN : amide:sc= -0.0108 X(o=-0.011,f=-0.15) USER MOD Single : A 38 ASN :FLIP amide:sc= 0 F(o=-0.53,f=0) USER MOD Single : A 42 SER OG : rot -53:sc= 0.0665 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 160:sc= 1.26 (180deg=0.54) USER MOD Single : A 50 HIS : no HD1:sc= -0.0591 X(o=-0.059,f=-0.017) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0346 USER MOD Single : A 59 GLN : amide:sc= -1.33 K(o=-1.3,f=-3.7!) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= -0.313 X(o=-0.31,f=0.061) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A -1 -9.182 14.820 -6.168 1.00 0.00 N ATOM 2 CA GLN A -1 -8.215 14.664 -5.059 1.00 0.00 C ATOM 3 C GLN A -1 -7.088 13.736 -5.480 1.00 0.00 C ATOM 4 O GLN A -1 -7.261 12.913 -6.378 1.00 0.00 O ATOM 5 CB GLN A -1 -8.914 14.110 -3.812 1.00 0.00 C ATOM 6 CG GLN A -1 -9.604 12.774 -4.038 1.00 0.00 C ATOM 7 CD GLN A -1 -10.233 12.209 -2.777 1.00 0.00 C ATOM 8 OE1 GLN A -1 -10.684 13.077 -1.884 1.00 0.00 O flip ATOM 9 NE2 GLN A -1 -10.322 10.994 -2.611 1.00 0.00 N flip ATOM 0 H1 GLN A -1 -10.150 14.805 -5.789 1.00 0.00 H new ATOM 0 H2 GLN A -1 -9.013 15.726 -6.651 1.00 0.00 H new ATOM 0 H3 GLN A -1 -9.063 14.039 -6.845 1.00 0.00 H new ATOM 0 HA GLN A -1 -7.800 15.643 -4.818 1.00 0.00 H new ATOM 0 HB2 GLN A -1 -8.179 13.999 -3.014 1.00 0.00 H new ATOM 0 HB3 GLN A -1 -9.651 14.835 -3.468 1.00 0.00 H new ATOM 0 HG2 GLN A -1 -10.375 12.894 -4.799 1.00 0.00 H new ATOM 0 HG3 GLN A -1 -8.880 12.059 -4.428 1.00 0.00 H new ATOM 0 HE21 GLN A -1 -9.964 10.355 -3.320 1.00 0.00 H new ATOM 0 HE22 GLN A -1 -10.754 10.625 -1.764 1.00 0.00 H new ATOM 20 N SER A 0 -5.936 13.888 -4.843 1.00 0.00 N ATOM 21 CA SER A 0 -4.769 13.081 -5.159 1.00 0.00 C ATOM 22 C SER A 0 -4.979 11.633 -4.719 1.00 0.00 C ATOM 23 O SER A 0 -4.901 11.315 -3.534 1.00 0.00 O ATOM 24 CB SER A 0 -3.539 13.679 -4.475 1.00 0.00 C ATOM 25 OG SER A 0 -3.429 15.066 -4.764 1.00 0.00 O ATOM 0 H SER A 0 -5.785 14.569 -4.099 1.00 0.00 H new ATOM 0 HA SER A 0 -4.615 13.083 -6.238 1.00 0.00 H new ATOM 0 HB2 SER A 0 -3.608 13.531 -3.397 1.00 0.00 H new ATOM 0 HB3 SER A 0 -2.641 13.160 -4.811 1.00 0.00 H new ATOM 0 HG SER A 0 -2.637 15.432 -4.317 1.00 0.00 H new ATOM 31 N MET A 1 -5.265 10.768 -5.684 1.00 0.00 N ATOM 32 CA MET A 1 -5.530 9.362 -5.408 1.00 0.00 C ATOM 33 C MET A 1 -4.857 8.472 -6.443 1.00 0.00 C ATOM 34 O MET A 1 -4.636 8.891 -7.585 1.00 0.00 O ATOM 35 CB MET A 1 -7.039 9.102 -5.390 1.00 0.00 C ATOM 36 CG MET A 1 -7.756 9.596 -6.637 1.00 0.00 C ATOM 37 SD MET A 1 -9.551 9.465 -6.522 1.00 0.00 S ATOM 38 CE MET A 1 -9.750 7.700 -6.309 1.00 0.00 C ATOM 0 H MET A 1 -5.320 11.018 -6.671 1.00 0.00 H new ATOM 0 HA MET A 1 -5.117 9.122 -4.428 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.214 8.032 -5.280 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.473 9.587 -4.515 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.485 10.636 -6.816 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.411 9.024 -7.498 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.408 7.312 -7.087 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.777 7.213 -6.380 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.186 7.498 -5.331 1.00 0.00 H new ATOM 48 N ALA A 2 -4.532 7.253 -6.034 1.00 0.00 N ATOM 49 CA ALA A 2 -3.843 6.299 -6.882 1.00 0.00 C ATOM 50 C ALA A 2 -3.781 4.946 -6.180 1.00 0.00 C ATOM 51 O ALA A 2 -4.634 4.632 -5.349 1.00 0.00 O ATOM 52 CB ALA A 2 -2.438 6.805 -7.213 1.00 0.00 C ATOM 0 H ALA A 2 -4.741 6.900 -5.100 1.00 0.00 H new ATOM 0 HA ALA A 2 -4.390 6.184 -7.818 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -1.931 6.080 -7.850 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -2.509 7.760 -7.734 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -1.872 6.936 -6.291 1.00 0.00 H new ATOM 58 N LEU A 3 -2.764 4.164 -6.507 1.00 0.00 N ATOM 59 CA LEU A 3 -2.534 2.876 -5.869 1.00 0.00 C ATOM 60 C LEU A 3 -2.151 3.096 -4.423 1.00 0.00 C ATOM 61 O LEU A 3 -1.606 4.142 -4.070 1.00 0.00 O ATOM 62 CB LEU A 3 -1.382 2.142 -6.554 1.00 0.00 C ATOM 63 CG LEU A 3 -1.407 2.117 -8.079 1.00 0.00 C ATOM 64 CD1 LEU A 3 -0.200 1.376 -8.617 1.00 0.00 C ATOM 65 CD2 LEU A 3 -2.663 1.483 -8.587 1.00 0.00 C ATOM 0 H LEU A 3 -2.076 4.403 -7.221 1.00 0.00 H new ATOM 0 HA LEU A 3 -3.447 2.285 -5.944 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.446 2.601 -6.235 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -1.371 1.113 -6.195 1.00 0.00 H new ATOM 0 HG LEU A 3 -1.376 3.149 -8.430 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -0.234 1.368 -9.706 1.00 0.00 H new ATOM 0 HD12 LEU A 3 0.711 1.875 -8.286 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -0.207 0.351 -8.246 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -2.653 1.479 -9.677 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -2.727 0.458 -8.221 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -3.525 2.049 -8.234 1.00 0.00 H new ATOM 77 N HIS A 4 -2.411 2.116 -3.583 1.00 0.00 N ATOM 78 CA HIS A 4 -1.970 2.211 -2.212 1.00 0.00 C ATOM 79 C HIS A 4 -0.575 1.638 -2.144 1.00 0.00 C ATOM 80 O HIS A 4 -0.355 0.466 -2.457 1.00 0.00 O ATOM 81 CB HIS A 4 -2.909 1.457 -1.270 1.00 0.00 C ATOM 82 CG HIS A 4 -4.344 1.869 -1.399 1.00 0.00 C ATOM 83 ND1 HIS A 4 -5.382 0.968 -1.480 1.00 0.00 N ATOM 84 CD2 HIS A 4 -4.908 3.097 -1.471 1.00 0.00 C ATOM 85 CE1 HIS A 4 -6.522 1.621 -1.600 1.00 0.00 C ATOM 86 NE2 HIS A 4 -6.262 2.915 -1.596 1.00 0.00 N ATOM 0 H HIS A 4 -2.915 1.262 -3.821 1.00 0.00 H new ATOM 0 HA HIS A 4 -1.975 3.253 -1.891 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -2.827 0.388 -1.467 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -2.584 1.617 -0.242 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -4.389 4.044 -1.437 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -7.501 1.173 -1.687 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -6.955 3.659 -1.673 1.00 0.00 H new ATOM 95 N TYR A 5 0.359 2.460 -1.725 1.00 0.00 N ATOM 96 CA TYR A 5 1.761 2.095 -1.756 1.00 0.00 C ATOM 97 C TYR A 5 2.234 1.658 -0.381 1.00 0.00 C ATOM 98 O TYR A 5 2.200 2.437 0.573 1.00 0.00 O ATOM 99 CB TYR A 5 2.618 3.275 -2.221 1.00 0.00 C ATOM 100 CG TYR A 5 2.698 3.520 -3.717 1.00 0.00 C ATOM 101 CD1 TYR A 5 1.871 2.883 -4.643 1.00 0.00 C ATOM 102 CD2 TYR A 5 3.637 4.421 -4.202 1.00 0.00 C ATOM 103 CE1 TYR A 5 1.989 3.147 -5.995 1.00 0.00 C ATOM 104 CE2 TYR A 5 3.756 4.684 -5.545 1.00 0.00 C ATOM 105 CZ TYR A 5 2.931 4.046 -6.439 1.00 0.00 C ATOM 106 OH TYR A 5 3.039 4.314 -7.784 1.00 0.00 O ATOM 0 H TYR A 5 0.174 3.393 -1.356 1.00 0.00 H new ATOM 0 HA TYR A 5 1.869 1.268 -2.457 1.00 0.00 H new ATOM 0 HB2 TYR A 5 2.234 4.180 -1.749 1.00 0.00 H new ATOM 0 HB3 TYR A 5 3.631 3.126 -1.847 1.00 0.00 H new ATOM 0 HD1 TYR A 5 1.130 2.176 -4.300 1.00 0.00 H new ATOM 0 HD2 TYR A 5 4.290 4.927 -3.506 1.00 0.00 H new ATOM 0 HE1 TYR A 5 1.342 2.648 -6.702 1.00 0.00 H new ATOM 0 HE2 TYR A 5 4.495 5.389 -5.896 1.00 0.00 H new ATOM 0 HH TYR A 5 3.751 4.971 -7.930 1.00 0.00 H new ATOM 116 N TYR A 6 2.667 0.417 -0.285 1.00 0.00 N ATOM 117 CA TYR A 6 3.271 -0.091 0.932 1.00 0.00 C ATOM 118 C TYR A 6 4.622 -0.682 0.588 1.00 0.00 C ATOM 119 O TYR A 6 4.741 -1.458 -0.354 1.00 0.00 O ATOM 120 CB TYR A 6 2.366 -1.122 1.597 1.00 0.00 C ATOM 121 CG TYR A 6 1.023 -0.554 1.991 1.00 0.00 C ATOM 122 CD1 TYR A 6 0.867 0.162 3.175 1.00 0.00 C ATOM 123 CD2 TYR A 6 -0.091 -0.731 1.178 1.00 0.00 C ATOM 124 CE1 TYR A 6 -0.367 0.678 3.532 1.00 0.00 C ATOM 125 CE2 TYR A 6 -1.319 -0.215 1.530 1.00 0.00 C ATOM 126 CZ TYR A 6 -1.453 0.486 2.705 1.00 0.00 C ATOM 127 OH TYR A 6 -2.681 0.997 3.055 1.00 0.00 O ATOM 0 H TYR A 6 2.611 -0.264 -1.042 1.00 0.00 H new ATOM 0 HA TYR A 6 3.405 0.721 1.646 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.216 -1.960 0.916 1.00 0.00 H new ATOM 0 HB3 TYR A 6 2.863 -1.517 2.483 1.00 0.00 H new ATOM 0 HD1 TYR A 6 1.718 0.316 3.822 1.00 0.00 H new ATOM 0 HD2 TYR A 6 0.008 -1.282 0.255 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -0.478 1.229 4.454 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -2.173 -0.361 0.885 1.00 0.00 H new ATOM 0 HH TYR A 6 -3.338 0.773 2.363 1.00 0.00 H new ATOM 137 N CYS A 7 5.642 -0.293 1.326 1.00 0.00 N ATOM 138 CA CYS A 7 7.001 -0.563 0.910 1.00 0.00 C ATOM 139 C CYS A 7 7.418 -1.995 1.133 1.00 0.00 C ATOM 140 O CYS A 7 7.053 -2.636 2.120 1.00 0.00 O ATOM 141 CB CYS A 7 7.998 0.354 1.600 1.00 0.00 C ATOM 142 SG CYS A 7 9.633 0.288 0.832 1.00 0.00 S ATOM 0 H CYS A 7 5.556 0.208 2.211 1.00 0.00 H new ATOM 0 HA CYS A 7 7.010 -0.370 -0.163 1.00 0.00 H new ATOM 0 HB2 CYS A 7 7.626 1.378 1.572 1.00 0.00 H new ATOM 0 HB3 CYS A 7 8.080 0.074 2.650 1.00 0.00 H new ATOM 147 N ARG A 8 8.212 -2.464 0.189 1.00 0.00 N ATOM 148 CA ARG A 8 8.856 -3.748 0.276 1.00 0.00 C ATOM 149 C ARG A 8 9.900 -3.733 1.389 1.00 0.00 C ATOM 150 O ARG A 8 10.804 -2.893 1.402 1.00 0.00 O ATOM 151 CB ARG A 8 9.488 -4.095 -1.083 1.00 0.00 C ATOM 152 CG ARG A 8 10.429 -5.290 -1.061 1.00 0.00 C ATOM 153 CD ARG A 8 11.889 -4.859 -0.962 1.00 0.00 C ATOM 154 NE ARG A 8 12.347 -4.182 -2.177 1.00 0.00 N ATOM 155 CZ ARG A 8 13.560 -4.351 -2.709 1.00 0.00 C ATOM 156 NH1 ARG A 8 14.474 -5.082 -2.086 1.00 0.00 N ATOM 157 NH2 ARG A 8 13.860 -3.783 -3.865 1.00 0.00 N ATOM 0 H ARG A 8 8.426 -1.953 -0.667 1.00 0.00 H new ATOM 0 HA ARG A 8 8.121 -4.516 0.519 1.00 0.00 H new ATOM 0 HB2 ARG A 8 8.690 -4.291 -1.800 1.00 0.00 H new ATOM 0 HB3 ARG A 8 10.036 -3.225 -1.446 1.00 0.00 H new ATOM 0 HG2 ARG A 8 10.181 -5.932 -0.216 1.00 0.00 H new ATOM 0 HG3 ARG A 8 10.285 -5.883 -1.964 1.00 0.00 H new ATOM 0 HD2 ARG A 8 12.013 -4.193 -0.108 1.00 0.00 H new ATOM 0 HD3 ARG A 8 12.513 -5.733 -0.778 1.00 0.00 H new ATOM 0 HE ARG A 8 11.702 -3.544 -2.644 1.00 0.00 H new ATOM 0 HH11 ARG A 8 14.253 -5.521 -1.192 1.00 0.00 H new ATOM 0 HH12 ARG A 8 15.398 -5.205 -2.501 1.00 0.00 H new ATOM 0 HH21 ARG A 8 13.165 -3.216 -4.350 1.00 0.00 H new ATOM 0 HH22 ARG A 8 14.787 -3.912 -4.271 1.00 0.00 H new ATOM 171 N HIS A 9 9.681 -4.608 2.357 1.00 0.00 N ATOM 172 CA HIS A 9 10.665 -4.967 3.389 1.00 0.00 C ATOM 173 C HIS A 9 10.607 -4.049 4.609 1.00 0.00 C ATOM 174 O HIS A 9 10.604 -4.531 5.737 1.00 0.00 O ATOM 175 CB HIS A 9 12.093 -5.008 2.823 1.00 0.00 C ATOM 176 CG HIS A 9 13.105 -5.606 3.759 1.00 0.00 C ATOM 177 ND1 HIS A 9 13.447 -6.942 3.743 1.00 0.00 N ATOM 178 CD2 HIS A 9 13.863 -5.041 4.732 1.00 0.00 C ATOM 179 CE1 HIS A 9 14.368 -7.171 4.661 1.00 0.00 C ATOM 180 NE2 HIS A 9 14.638 -6.035 5.273 1.00 0.00 N ATOM 0 H HIS A 9 8.796 -5.105 2.457 1.00 0.00 H new ATOM 0 HA HIS A 9 10.393 -5.969 3.722 1.00 0.00 H new ATOM 0 HB2 HIS A 9 12.089 -5.580 1.895 1.00 0.00 H new ATOM 0 HB3 HIS A 9 12.402 -3.994 2.570 1.00 0.00 H new ATOM 0 HD2 HIS A 9 13.857 -4.002 5.026 1.00 0.00 H new ATOM 0 HE1 HIS A 9 14.823 -8.127 4.874 1.00 0.00 H new ATOM 0 HE2 HIS A 9 15.314 -5.915 6.027 1.00 0.00 H new ATOM 189 N CYS A 10 10.568 -2.740 4.408 1.00 0.00 N ATOM 190 CA CYS A 10 10.651 -1.837 5.548 1.00 0.00 C ATOM 191 C CYS A 10 9.253 -1.480 6.064 1.00 0.00 C ATOM 192 O CYS A 10 9.095 -0.936 7.160 1.00 0.00 O ATOM 193 CB CYS A 10 11.462 -0.584 5.199 1.00 0.00 C ATOM 194 SG CYS A 10 10.517 0.734 4.420 1.00 0.00 S ATOM 0 H CYS A 10 10.482 -2.289 3.497 1.00 0.00 H new ATOM 0 HA CYS A 10 11.177 -2.351 6.353 1.00 0.00 H new ATOM 0 HB2 CYS A 10 11.916 -0.196 6.111 1.00 0.00 H new ATOM 0 HB3 CYS A 10 12.277 -0.869 4.534 1.00 0.00 H new ATOM 199 N GLY A 11 8.244 -1.812 5.260 1.00 0.00 N ATOM 200 CA GLY A 11 6.859 -1.682 5.681 1.00 0.00 C ATOM 201 C GLY A 11 6.397 -0.248 5.875 1.00 0.00 C ATOM 202 O GLY A 11 5.561 0.018 6.736 1.00 0.00 O ATOM 0 H GLY A 11 8.365 -2.173 4.314 1.00 0.00 H new ATOM 0 HA2 GLY A 11 6.219 -2.160 4.939 1.00 0.00 H new ATOM 0 HA3 GLY A 11 6.723 -2.225 6.616 1.00 0.00 H new ATOM 206 N VAL A 12 6.930 0.679 5.093 1.00 0.00 N ATOM 207 CA VAL A 12 6.473 2.055 5.149 1.00 0.00 C ATOM 208 C VAL A 12 5.364 2.301 4.141 1.00 0.00 C ATOM 209 O VAL A 12 5.367 1.748 3.042 1.00 0.00 O ATOM 210 CB VAL A 12 7.616 3.072 4.927 1.00 0.00 C ATOM 211 CG1 VAL A 12 8.384 2.780 3.662 1.00 0.00 C ATOM 212 CG2 VAL A 12 7.077 4.472 4.844 1.00 0.00 C ATOM 0 H VAL A 12 7.674 0.503 4.418 1.00 0.00 H new ATOM 0 HA VAL A 12 6.087 2.208 6.157 1.00 0.00 H new ATOM 0 HB VAL A 12 8.287 2.980 5.781 1.00 0.00 H new ATOM 0 HG11 VAL A 12 9.179 3.516 3.541 1.00 0.00 H new ATOM 0 HG12 VAL A 12 8.819 1.783 3.723 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.710 2.830 2.807 1.00 0.00 H new ATOM 0 HG21 VAL A 12 7.900 5.170 4.688 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.377 4.544 4.011 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.563 4.720 5.773 1.00 0.00 H new ATOM 222 N LYS A 13 4.417 3.128 4.534 1.00 0.00 N ATOM 223 CA LYS A 13 3.307 3.489 3.672 1.00 0.00 C ATOM 224 C LYS A 13 3.715 4.637 2.757 1.00 0.00 C ATOM 225 O LYS A 13 3.667 5.801 3.147 1.00 0.00 O ATOM 226 CB LYS A 13 2.098 3.895 4.513 1.00 0.00 C ATOM 227 CG LYS A 13 1.635 2.822 5.477 1.00 0.00 C ATOM 228 CD LYS A 13 0.488 3.316 6.344 1.00 0.00 C ATOM 229 CE LYS A 13 0.958 4.315 7.392 1.00 0.00 C ATOM 230 NZ LYS A 13 1.961 3.722 8.315 1.00 0.00 N ATOM 0 H LYS A 13 4.393 3.567 5.454 1.00 0.00 H new ATOM 0 HA LYS A 13 3.037 2.626 3.063 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.345 4.795 5.077 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.274 4.152 3.847 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.318 1.941 4.919 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.467 2.516 6.111 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -0.270 3.781 5.713 1.00 0.00 H new ATOM 0 HD3 LYS A 13 0.015 2.467 6.838 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.390 5.184 6.896 1.00 0.00 H new ATOM 0 HE3 LYS A 13 0.101 4.669 7.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 1.708 3.953 9.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 1.975 2.689 8.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.902 4.108 8.099 1.00 0.00 H new ATOM 244 N VAL A 14 4.108 4.300 1.537 1.00 0.00 N ATOM 245 CA VAL A 14 4.622 5.295 0.599 1.00 0.00 C ATOM 246 C VAL A 14 3.477 6.048 -0.078 1.00 0.00 C ATOM 247 O VAL A 14 3.677 7.115 -0.652 1.00 0.00 O ATOM 248 CB VAL A 14 5.534 4.676 -0.499 1.00 0.00 C ATOM 249 CG1 VAL A 14 6.879 5.377 -0.535 1.00 0.00 C ATOM 250 CG2 VAL A 14 5.736 3.178 -0.315 1.00 0.00 C ATOM 0 H VAL A 14 4.082 3.348 1.171 1.00 0.00 H new ATOM 0 HA VAL A 14 5.225 5.982 1.193 1.00 0.00 H new ATOM 0 HB VAL A 14 5.021 4.823 -1.450 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.502 4.929 -1.309 1.00 0.00 H new ATOM 0 HG12 VAL A 14 6.732 6.435 -0.754 1.00 0.00 H new ATOM 0 HG13 VAL A 14 7.370 5.271 0.432 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.380 2.798 -1.108 1.00 0.00 H new ATOM 0 HG22 VAL A 14 6.202 2.990 0.652 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.771 2.673 -0.357 1.00 0.00 H new ATOM 260 N GLY A 15 2.276 5.490 0.002 1.00 0.00 N ATOM 261 CA GLY A 15 1.124 6.115 -0.623 1.00 0.00 C ATOM 262 C GLY A 15 -0.034 6.273 0.338 1.00 0.00 C ATOM 263 O GLY A 15 -1.107 5.711 0.119 1.00 0.00 O ATOM 0 H GLY A 15 2.078 4.616 0.488 1.00 0.00 H new ATOM 0 HA2 GLY A 15 1.409 7.094 -1.009 1.00 0.00 H new ATOM 0 HA3 GLY A 15 0.806 5.516 -1.476 1.00 0.00 H new ATOM 267 N SER A 16 0.191 7.028 1.403 1.00 0.00 N ATOM 268 CA SER A 16 -0.834 7.276 2.407 1.00 0.00 C ATOM 269 C SER A 16 -0.344 8.334 3.387 1.00 0.00 C ATOM 270 O SER A 16 0.390 8.029 4.329 1.00 0.00 O ATOM 271 CB SER A 16 -1.188 5.979 3.153 1.00 0.00 C ATOM 272 OG SER A 16 -2.309 6.156 4.007 1.00 0.00 O ATOM 0 H SER A 16 1.083 7.484 1.595 1.00 0.00 H new ATOM 0 HA SER A 16 -1.734 7.637 1.910 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.401 5.190 2.431 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.331 5.651 3.741 1.00 0.00 H new ATOM 0 HG SER A 16 -2.508 5.313 4.465 1.00 0.00 H new ATOM 278 N LEU A 17 -0.730 9.579 3.148 1.00 0.00 N ATOM 279 CA LEU A 17 -0.362 10.670 4.038 1.00 0.00 C ATOM 280 C LEU A 17 -1.533 11.612 4.241 1.00 0.00 C ATOM 281 O LEU A 17 -1.838 12.023 5.358 1.00 0.00 O ATOM 282 CB LEU A 17 0.856 11.450 3.509 1.00 0.00 C ATOM 283 CG LEU A 17 0.658 12.199 2.183 1.00 0.00 C ATOM 284 CD1 LEU A 17 1.639 13.354 2.081 1.00 0.00 C ATOM 285 CD2 LEU A 17 0.836 11.261 0.996 1.00 0.00 C ATOM 0 H LEU A 17 -1.297 9.858 2.347 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.089 10.229 4.997 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.157 12.172 4.268 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.684 10.751 3.388 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.359 12.590 2.164 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.488 13.877 1.137 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.475 14.045 2.908 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.658 12.971 2.125 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.691 11.816 0.069 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.841 10.839 1.013 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.104 10.456 1.056 1.00 0.00 H new ATOM 297 N GLU A 18 -2.202 11.916 3.155 1.00 0.00 N ATOM 298 CA GLU A 18 -3.316 12.851 3.172 1.00 0.00 C ATOM 299 C GLU A 18 -4.647 12.108 3.188 1.00 0.00 C ATOM 300 O GLU A 18 -5.684 12.648 2.811 1.00 0.00 O ATOM 301 CB GLU A 18 -3.230 13.809 1.976 1.00 0.00 C ATOM 302 CG GLU A 18 -3.112 13.119 0.625 1.00 0.00 C ATOM 303 CD GLU A 18 -2.846 14.098 -0.506 1.00 0.00 C ATOM 304 OE1 GLU A 18 -1.681 14.201 -0.941 1.00 0.00 O ATOM 305 OE2 GLU A 18 -3.795 14.777 -0.954 1.00 0.00 O ATOM 0 H GLU A 18 -1.996 11.527 2.235 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.256 13.443 4.085 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.116 14.444 1.970 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.370 14.464 2.112 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.306 12.386 0.664 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.032 12.571 0.419 1.00 0.00 H new ATOM 312 N SER A 19 -4.607 10.874 3.669 1.00 0.00 N ATOM 313 CA SER A 19 -5.784 10.018 3.735 1.00 0.00 C ATOM 314 C SER A 19 -6.819 10.568 4.715 1.00 0.00 C ATOM 315 O SER A 19 -7.981 10.163 4.708 1.00 0.00 O ATOM 316 CB SER A 19 -5.353 8.622 4.165 1.00 0.00 C ATOM 317 OG SER A 19 -4.247 8.179 3.392 1.00 0.00 O ATOM 0 H SER A 19 -3.757 10.437 4.025 1.00 0.00 H new ATOM 0 HA SER A 19 -6.248 9.983 2.749 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.086 8.628 5.222 1.00 0.00 H new ATOM 0 HB3 SER A 19 -6.185 7.927 4.050 1.00 0.00 H new ATOM 0 HG SER A 19 -3.771 7.473 3.877 1.00 0.00 H new ATOM 323 N SER A 20 -6.379 11.491 5.557 1.00 0.00 N ATOM 324 CA SER A 20 -7.244 12.118 6.545 1.00 0.00 C ATOM 325 C SER A 20 -8.438 12.800 5.880 1.00 0.00 C ATOM 326 O SER A 20 -9.565 12.721 6.373 1.00 0.00 O ATOM 327 CB SER A 20 -6.448 13.137 7.355 1.00 0.00 C ATOM 328 OG SER A 20 -5.264 12.558 7.882 1.00 0.00 O ATOM 0 H SER A 20 -5.416 11.826 5.575 1.00 0.00 H new ATOM 0 HA SER A 20 -7.624 11.341 7.208 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.191 13.987 6.723 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.063 13.519 8.169 1.00 0.00 H new ATOM 0 HG SER A 20 -4.771 13.232 8.395 1.00 0.00 H new ATOM 334 N MET A 21 -8.190 13.459 4.759 1.00 0.00 N ATOM 335 CA MET A 21 -9.241 14.160 4.044 1.00 0.00 C ATOM 336 C MET A 21 -9.465 13.519 2.686 1.00 0.00 C ATOM 337 O MET A 21 -10.543 13.622 2.098 1.00 0.00 O ATOM 338 CB MET A 21 -8.900 15.645 3.892 1.00 0.00 C ATOM 339 CG MET A 21 -7.581 15.924 3.183 1.00 0.00 C ATOM 340 SD MET A 21 -6.129 15.453 4.152 1.00 0.00 S ATOM 341 CE MET A 21 -6.285 16.539 5.569 1.00 0.00 C ATOM 0 H MET A 21 -7.269 13.522 4.326 1.00 0.00 H new ATOM 0 HA MET A 21 -10.162 14.085 4.622 1.00 0.00 H new ATOM 0 HB2 MET A 21 -9.704 16.134 3.342 1.00 0.00 H new ATOM 0 HB3 MET A 21 -8.869 16.100 4.882 1.00 0.00 H new ATOM 0 HG2 MET A 21 -7.566 15.386 2.235 1.00 0.00 H new ATOM 0 HG3 MET A 21 -7.522 16.987 2.947 1.00 0.00 H new ATOM 0 HE1 MET A 21 -5.323 16.616 6.076 1.00 0.00 H new ATOM 0 HE2 MET A 21 -6.601 17.528 5.236 1.00 0.00 H new ATOM 0 HE3 MET A 21 -7.026 16.134 6.258 1.00 0.00 H new ATOM 351 N VAL A 22 -8.434 12.853 2.192 1.00 0.00 N ATOM 352 CA VAL A 22 -8.517 12.122 0.950 1.00 0.00 C ATOM 353 C VAL A 22 -8.864 10.663 1.238 1.00 0.00 C ATOM 354 O VAL A 22 -7.993 9.793 1.281 1.00 0.00 O ATOM 355 CB VAL A 22 -7.189 12.217 0.170 1.00 0.00 C ATOM 356 CG1 VAL A 22 -7.272 11.472 -1.143 1.00 0.00 C ATOM 357 CG2 VAL A 22 -6.822 13.670 -0.070 1.00 0.00 C ATOM 0 H VAL A 22 -7.521 12.807 2.644 1.00 0.00 H new ATOM 0 HA VAL A 22 -9.301 12.562 0.333 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.410 11.751 0.773 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.322 11.557 -1.670 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.488 10.421 -0.952 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -8.066 11.900 -1.755 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.883 13.722 -0.621 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.609 14.153 -0.648 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -6.710 14.180 0.887 1.00 0.00 H new ATOM 367 N SER A 23 -10.145 10.414 1.473 1.00 0.00 N ATOM 368 CA SER A 23 -10.624 9.076 1.780 1.00 0.00 C ATOM 369 C SER A 23 -10.664 8.215 0.525 1.00 0.00 C ATOM 370 O SER A 23 -11.716 8.021 -0.093 1.00 0.00 O ATOM 371 CB SER A 23 -12.010 9.149 2.397 1.00 0.00 C ATOM 372 OG SER A 23 -12.035 10.052 3.488 1.00 0.00 O ATOM 0 H SER A 23 -10.874 11.127 1.456 1.00 0.00 H new ATOM 0 HA SER A 23 -9.935 8.621 2.491 1.00 0.00 H new ATOM 0 HB2 SER A 23 -12.731 9.465 1.643 1.00 0.00 H new ATOM 0 HB3 SER A 23 -12.314 8.158 2.734 1.00 0.00 H new ATOM 0 HG SER A 23 -11.695 9.604 4.291 1.00 0.00 H new ATOM 378 N THR A 24 -9.506 7.727 0.146 1.00 0.00 N ATOM 379 CA THR A 24 -9.376 6.830 -0.985 1.00 0.00 C ATOM 380 C THR A 24 -8.520 5.631 -0.591 1.00 0.00 C ATOM 381 O THR A 24 -8.202 4.768 -1.408 1.00 0.00 O ATOM 382 CB THR A 24 -8.742 7.554 -2.196 1.00 0.00 C ATOM 383 OG1 THR A 24 -8.864 6.749 -3.374 1.00 0.00 O ATOM 384 CG2 THR A 24 -7.272 7.862 -1.941 1.00 0.00 C ATOM 0 H THR A 24 -8.624 7.940 0.612 1.00 0.00 H new ATOM 0 HA THR A 24 -10.371 6.491 -1.274 1.00 0.00 H new ATOM 0 HB THR A 24 -9.275 8.494 -2.341 1.00 0.00 H new ATOM 0 HG1 THR A 24 -7.972 6.548 -3.727 1.00 0.00 H new ATOM 0 HG21 THR A 24 -6.851 8.371 -2.808 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.181 8.504 -1.064 1.00 0.00 H new ATOM 0 HG23 THR A 24 -6.730 6.932 -1.768 1.00 0.00 H new ATOM 392 N ASP A 25 -8.169 5.574 0.684 1.00 0.00 N ATOM 393 CA ASP A 25 -7.243 4.569 1.177 1.00 0.00 C ATOM 394 C ASP A 25 -8.004 3.399 1.770 1.00 0.00 C ATOM 395 O ASP A 25 -7.498 2.280 1.837 1.00 0.00 O ATOM 396 CB ASP A 25 -6.320 5.176 2.235 1.00 0.00 C ATOM 397 CG ASP A 25 -7.070 5.589 3.487 1.00 0.00 C ATOM 398 OD1 ASP A 25 -6.788 5.025 4.565 1.00 0.00 O ATOM 399 OD2 ASP A 25 -7.953 6.465 3.393 1.00 0.00 O ATOM 0 H ASP A 25 -8.514 6.215 1.398 1.00 0.00 H new ATOM 0 HA ASP A 25 -6.641 4.213 0.341 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -5.549 4.452 2.499 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -5.812 6.045 1.815 1.00 0.00 H new ATOM 404 N SER A 26 -9.227 3.662 2.186 1.00 0.00 N ATOM 405 CA SER A 26 -10.019 2.674 2.881 1.00 0.00 C ATOM 406 C SER A 26 -11.084 2.085 1.962 1.00 0.00 C ATOM 407 O SER A 26 -11.780 2.810 1.249 1.00 0.00 O ATOM 408 CB SER A 26 -10.659 3.314 4.112 1.00 0.00 C ATOM 409 OG SER A 26 -11.333 2.352 4.907 1.00 0.00 O ATOM 0 H SER A 26 -9.694 4.559 2.052 1.00 0.00 H new ATOM 0 HA SER A 26 -9.371 1.857 3.198 1.00 0.00 H new ATOM 0 HB2 SER A 26 -9.891 3.806 4.708 1.00 0.00 H new ATOM 0 HB3 SER A 26 -11.362 4.085 3.798 1.00 0.00 H new ATOM 0 HG SER A 26 -12.015 2.798 5.452 1.00 0.00 H new ATOM 415 N LEU A 27 -11.180 0.766 1.960 1.00 0.00 N ATOM 416 CA LEU A 27 -12.166 0.068 1.172 1.00 0.00 C ATOM 417 C LEU A 27 -13.521 0.096 1.872 1.00 0.00 C ATOM 418 O LEU A 27 -13.605 -0.078 3.090 1.00 0.00 O ATOM 419 CB LEU A 27 -11.697 -1.372 0.958 1.00 0.00 C ATOM 420 CG LEU A 27 -12.234 -2.044 -0.297 1.00 0.00 C ATOM 421 CD1 LEU A 27 -11.282 -3.131 -0.763 1.00 0.00 C ATOM 422 CD2 LEU A 27 -13.621 -2.624 -0.053 1.00 0.00 C ATOM 0 H LEU A 27 -10.574 0.154 2.507 1.00 0.00 H new ATOM 0 HA LEU A 27 -12.280 0.559 0.205 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -10.608 -1.381 0.919 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.990 -1.966 1.824 1.00 0.00 H new ATOM 0 HG LEU A 27 -12.314 -1.289 -1.079 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -11.680 -3.602 -1.662 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.309 -2.692 -0.984 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.173 -3.880 0.022 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -13.983 -3.099 -0.965 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -13.571 -3.364 0.746 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -14.304 -1.825 0.235 1.00 0.00 H new ATOM 434 N GLY A 28 -14.573 0.322 1.097 1.00 0.00 N ATOM 435 CA GLY A 28 -15.915 0.327 1.638 1.00 0.00 C ATOM 436 C GLY A 28 -16.398 -1.071 1.948 1.00 0.00 C ATOM 437 O GLY A 28 -17.160 -1.657 1.181 1.00 0.00 O ATOM 0 H GLY A 28 -14.518 0.503 0.095 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -15.939 0.930 2.546 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -16.593 0.797 0.925 1.00 0.00 H new ATOM 441 N PHE A 29 -15.927 -1.606 3.067 1.00 0.00 N ATOM 442 CA PHE A 29 -16.265 -2.956 3.501 1.00 0.00 C ATOM 443 C PHE A 29 -17.773 -3.181 3.520 1.00 0.00 C ATOM 444 O PHE A 29 -18.313 -3.927 2.701 1.00 0.00 O ATOM 445 CB PHE A 29 -15.694 -3.203 4.897 1.00 0.00 C ATOM 446 CG PHE A 29 -14.211 -3.005 4.983 1.00 0.00 C ATOM 447 CD1 PHE A 29 -13.676 -2.091 5.876 1.00 0.00 C ATOM 448 CD2 PHE A 29 -13.355 -3.719 4.164 1.00 0.00 C ATOM 449 CE1 PHE A 29 -12.313 -1.896 5.952 1.00 0.00 C ATOM 450 CE2 PHE A 29 -11.990 -3.530 4.235 1.00 0.00 C ATOM 451 CZ PHE A 29 -11.467 -2.617 5.129 1.00 0.00 C ATOM 0 H PHE A 29 -15.298 -1.114 3.702 1.00 0.00 H new ATOM 0 HA PHE A 29 -15.830 -3.656 2.788 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -16.183 -2.533 5.604 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -15.935 -4.221 5.204 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -14.333 -1.525 6.519 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -13.760 -4.432 3.461 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -11.907 -1.182 6.653 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -11.332 -4.095 3.592 1.00 0.00 H new ATOM 0 HZ PHE A 29 -10.399 -2.466 5.186 1.00 0.00 H new ATOM 461 N GLN A 30 -18.442 -2.536 4.461 1.00 0.00 N ATOM 462 CA GLN A 30 -19.882 -2.644 4.589 1.00 0.00 C ATOM 463 C GLN A 30 -20.476 -1.305 4.965 1.00 0.00 C ATOM 464 O GLN A 30 -20.871 -0.516 4.112 1.00 0.00 O ATOM 465 CB GLN A 30 -20.264 -3.680 5.651 1.00 0.00 C ATOM 466 CG GLN A 30 -20.037 -5.105 5.214 1.00 0.00 C ATOM 467 CD GLN A 30 -20.532 -6.112 6.231 1.00 0.00 C ATOM 468 OE1 GLN A 30 -20.542 -5.848 7.433 1.00 0.00 O ATOM 469 NE2 GLN A 30 -20.960 -7.269 5.758 1.00 0.00 N ATOM 0 H GLN A 30 -18.004 -1.927 5.152 1.00 0.00 H new ATOM 0 HA GLN A 30 -20.278 -2.964 3.625 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -19.687 -3.490 6.556 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -21.315 -3.551 5.910 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -20.543 -5.275 4.264 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -18.973 -5.263 5.040 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -20.936 -7.450 4.755 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -21.315 -7.981 6.396 1.00 0.00 H new ATOM 478 N HIS A 31 -20.499 -1.054 6.253 1.00 0.00 N ATOM 479 CA HIS A 31 -21.085 0.164 6.789 1.00 0.00 C ATOM 480 C HIS A 31 -20.300 0.635 8.010 1.00 0.00 C ATOM 481 O HIS A 31 -20.814 0.646 9.127 1.00 0.00 O ATOM 482 CB HIS A 31 -22.551 -0.093 7.155 1.00 0.00 C ATOM 483 CG HIS A 31 -23.358 1.148 7.379 1.00 0.00 C ATOM 484 ND1 HIS A 31 -23.982 1.434 8.571 1.00 0.00 N ATOM 485 CD2 HIS A 31 -23.663 2.169 6.543 1.00 0.00 C ATOM 486 CE1 HIS A 31 -24.637 2.573 8.461 1.00 0.00 C ATOM 487 NE2 HIS A 31 -24.461 3.040 7.239 1.00 0.00 N ATOM 0 H HIS A 31 -20.116 -1.681 6.960 1.00 0.00 H new ATOM 0 HA HIS A 31 -21.041 0.949 6.034 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -23.015 -0.675 6.359 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -22.586 -0.703 8.058 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -23.338 2.277 5.519 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -25.219 3.044 9.239 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -24.854 3.907 6.873 1.00 0.00 H new ATOM 496 N LEU A 32 -19.045 1.016 7.793 1.00 0.00 N ATOM 497 CA LEU A 32 -18.175 1.445 8.885 1.00 0.00 C ATOM 498 C LEU A 32 -18.278 2.953 9.102 1.00 0.00 C ATOM 499 O LEU A 32 -19.066 3.416 9.927 1.00 0.00 O ATOM 500 CB LEU A 32 -16.712 1.055 8.625 1.00 0.00 C ATOM 501 CG LEU A 32 -16.352 -0.436 8.739 1.00 0.00 C ATOM 502 CD1 LEU A 32 -16.674 -0.978 10.118 1.00 0.00 C ATOM 503 CD2 LEU A 32 -17.062 -1.253 7.674 1.00 0.00 C ATOM 0 H LEU A 32 -18.607 1.037 6.872 1.00 0.00 H new ATOM 0 HA LEU A 32 -18.512 0.933 9.787 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -16.445 1.391 7.623 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -16.085 1.608 9.324 1.00 0.00 H new ATOM 0 HG LEU A 32 -15.277 -0.523 8.581 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -16.408 -2.034 10.165 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -16.106 -0.427 10.867 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -17.740 -0.864 10.314 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -16.789 -2.303 7.779 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -18.140 -1.145 7.791 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -16.767 -0.898 6.686 1.00 0.00 H new ATOM 515 N THR A 33 -17.502 3.723 8.350 1.00 0.00 N ATOM 516 CA THR A 33 -17.520 5.173 8.482 1.00 0.00 C ATOM 517 C THR A 33 -18.111 5.824 7.238 1.00 0.00 C ATOM 518 O THR A 33 -18.559 5.126 6.325 1.00 0.00 O ATOM 519 CB THR A 33 -16.104 5.737 8.714 1.00 0.00 C ATOM 520 OG1 THR A 33 -15.304 5.538 7.546 1.00 0.00 O ATOM 521 CG2 THR A 33 -15.442 5.065 9.903 1.00 0.00 C ATOM 0 H THR A 33 -16.855 3.369 7.645 1.00 0.00 H new ATOM 0 HA THR A 33 -18.141 5.405 9.347 1.00 0.00 H new ATOM 0 HB THR A 33 -16.191 6.804 8.921 1.00 0.00 H new ATOM 0 HG1 THR A 33 -14.874 4.658 7.590 1.00 0.00 H new ATOM 0 HG21 THR A 33 -14.444 5.480 10.046 1.00 0.00 H new ATOM 0 HG22 THR A 33 -16.039 5.239 10.798 1.00 0.00 H new ATOM 0 HG23 THR A 33 -15.366 3.993 9.720 1.00 0.00 H new ATOM 529 N ASN A 34 -18.105 7.152 7.195 1.00 0.00 N ATOM 530 CA ASN A 34 -18.553 7.874 6.007 1.00 0.00 C ATOM 531 C ASN A 34 -17.614 7.578 4.842 1.00 0.00 C ATOM 532 O ASN A 34 -18.016 7.607 3.677 1.00 0.00 O ATOM 533 CB ASN A 34 -18.617 9.388 6.261 1.00 0.00 C ATOM 534 CG ASN A 34 -17.248 10.048 6.328 1.00 0.00 C ATOM 535 OD1 ASN A 34 -16.701 10.472 5.308 1.00 0.00 O ATOM 536 ND2 ASN A 34 -16.692 10.150 7.524 1.00 0.00 N ATOM 0 H ASN A 34 -17.797 7.748 7.963 1.00 0.00 H new ATOM 0 HA ASN A 34 -19.559 7.535 5.761 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -19.200 9.857 5.469 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -19.146 9.570 7.197 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -15.778 10.592 7.626 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -17.177 9.787 8.344 1.00 0.00 H new ATOM 543 N GLU A 35 -16.366 7.260 5.175 1.00 0.00 N ATOM 544 CA GLU A 35 -15.356 6.947 4.177 1.00 0.00 C ATOM 545 C GLU A 35 -15.732 5.669 3.451 1.00 0.00 C ATOM 546 O GLU A 35 -15.714 5.603 2.220 1.00 0.00 O ATOM 547 CB GLU A 35 -13.990 6.790 4.844 1.00 0.00 C ATOM 548 CG GLU A 35 -13.714 7.868 5.874 1.00 0.00 C ATOM 549 CD GLU A 35 -12.262 7.929 6.300 1.00 0.00 C ATOM 550 OE1 GLU A 35 -11.900 7.278 7.303 1.00 0.00 O ATOM 551 OE2 GLU A 35 -11.480 8.650 5.646 1.00 0.00 O ATOM 0 H GLU A 35 -16.031 7.213 6.137 1.00 0.00 H new ATOM 0 HA GLU A 35 -15.302 7.763 3.457 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -13.935 5.813 5.323 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -13.212 6.815 4.081 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -14.007 8.835 5.465 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -14.336 7.691 6.751 1.00 0.00 H new ATOM 558 N GLU A 36 -16.100 4.664 4.228 1.00 0.00 N ATOM 559 CA GLU A 36 -16.547 3.394 3.672 1.00 0.00 C ATOM 560 C GLU A 36 -17.846 3.567 2.894 1.00 0.00 C ATOM 561 O GLU A 36 -18.075 2.892 1.895 1.00 0.00 O ATOM 562 CB GLU A 36 -16.740 2.355 4.772 1.00 0.00 C ATOM 563 CG GLU A 36 -15.441 1.776 5.304 1.00 0.00 C ATOM 564 CD GLU A 36 -14.636 2.771 6.110 1.00 0.00 C ATOM 565 OE1 GLU A 36 -13.642 3.308 5.591 1.00 0.00 O ATOM 566 OE2 GLU A 36 -15.003 3.027 7.269 1.00 0.00 O ATOM 0 H GLU A 36 -16.099 4.701 5.247 1.00 0.00 H new ATOM 0 HA GLU A 36 -15.773 3.043 2.990 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -17.288 2.810 5.597 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -17.358 1.544 4.388 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -15.664 0.909 5.926 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -14.838 1.422 4.468 1.00 0.00 H new ATOM 573 N ARG A 37 -18.693 4.470 3.372 1.00 0.00 N ATOM 574 CA ARG A 37 -19.950 4.785 2.687 1.00 0.00 C ATOM 575 C ARG A 37 -19.688 5.350 1.292 1.00 0.00 C ATOM 576 O ARG A 37 -20.461 5.123 0.363 1.00 0.00 O ATOM 577 CB ARG A 37 -20.782 5.791 3.489 1.00 0.00 C ATOM 578 CG ARG A 37 -21.230 5.287 4.850 1.00 0.00 C ATOM 579 CD ARG A 37 -22.107 6.309 5.555 1.00 0.00 C ATOM 580 NE ARG A 37 -22.417 5.916 6.929 1.00 0.00 N ATOM 581 CZ ARG A 37 -23.431 6.413 7.638 1.00 0.00 C ATOM 582 NH1 ARG A 37 -24.257 7.298 7.096 1.00 0.00 N ATOM 583 NH2 ARG A 37 -23.620 6.017 8.889 1.00 0.00 N ATOM 0 H ARG A 37 -18.537 4.999 4.230 1.00 0.00 H new ATOM 0 HA ARG A 37 -20.508 3.853 2.598 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -20.198 6.701 3.626 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -21.663 6.062 2.907 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -21.779 4.353 4.732 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -20.357 5.068 5.465 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -21.603 7.276 5.560 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -23.035 6.436 4.997 1.00 0.00 H new ATOM 0 HE ARG A 37 -21.820 5.218 7.373 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -24.118 7.602 6.132 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -25.031 7.675 7.643 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -22.990 5.333 9.308 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -24.395 6.396 9.432 1.00 0.00 H new ATOM 597 N ASN A 38 -18.592 6.080 1.150 1.00 0.00 N ATOM 598 CA ASN A 38 -18.242 6.700 -0.123 1.00 0.00 C ATOM 599 C ASN A 38 -17.740 5.655 -1.119 1.00 0.00 C ATOM 600 O ASN A 38 -18.074 5.696 -2.303 1.00 0.00 O ATOM 601 CB ASN A 38 -17.184 7.786 0.099 1.00 0.00 C ATOM 602 CG ASN A 38 -16.756 8.497 -1.177 1.00 0.00 C ATOM 603 OD1 ASN A 38 -17.676 8.686 -2.114 1.00 0.00 O flip ATOM 604 ND2 ASN A 38 -15.603 8.905 -1.305 1.00 0.00 N flip ATOM 0 H ASN A 38 -17.927 6.259 1.902 1.00 0.00 H new ATOM 0 HA ASN A 38 -19.137 7.159 -0.543 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -17.575 8.523 0.801 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -16.307 7.336 0.565 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -14.920 8.743 -0.565 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -15.330 9.405 -2.151 1.00 0.00 H new ATOM 611 N ASP A 39 -16.950 4.710 -0.625 1.00 0.00 N ATOM 612 CA ASP A 39 -16.412 3.636 -1.463 1.00 0.00 C ATOM 613 C ASP A 39 -17.468 2.553 -1.703 1.00 0.00 C ATOM 614 O ASP A 39 -17.295 1.683 -2.551 1.00 0.00 O ATOM 615 CB ASP A 39 -15.151 3.034 -0.828 1.00 0.00 C ATOM 616 CG ASP A 39 -14.442 2.042 -1.741 1.00 0.00 C ATOM 617 OD1 ASP A 39 -14.583 0.818 -1.528 1.00 0.00 O ATOM 618 OD2 ASP A 39 -13.728 2.480 -2.670 1.00 0.00 O ATOM 0 H ASP A 39 -16.665 4.662 0.353 1.00 0.00 H new ATOM 0 HA ASP A 39 -16.138 4.062 -2.428 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -14.462 3.838 -0.569 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -15.422 2.534 0.102 1.00 0.00 H new ATOM 623 N MET A 40 -18.581 2.639 -0.970 1.00 0.00 N ATOM 624 CA MET A 40 -19.645 1.625 -1.011 1.00 0.00 C ATOM 625 C MET A 40 -20.270 1.513 -2.409 1.00 0.00 C ATOM 626 O MET A 40 -21.035 0.583 -2.687 1.00 0.00 O ATOM 627 CB MET A 40 -20.731 1.974 0.018 1.00 0.00 C ATOM 628 CG MET A 40 -21.874 0.969 0.094 1.00 0.00 C ATOM 629 SD MET A 40 -23.286 1.581 1.041 1.00 0.00 S ATOM 630 CE MET A 40 -22.573 1.712 2.678 1.00 0.00 C ATOM 0 H MET A 40 -18.773 3.411 -0.331 1.00 0.00 H new ATOM 0 HA MET A 40 -19.199 0.661 -0.768 1.00 0.00 H new ATOM 0 HB2 MET A 40 -20.269 2.055 1.002 1.00 0.00 H new ATOM 0 HB3 MET A 40 -21.141 2.955 -0.224 1.00 0.00 H new ATOM 0 HG2 MET A 40 -22.200 0.720 -0.916 1.00 0.00 H new ATOM 0 HG3 MET A 40 -21.511 0.047 0.548 1.00 0.00 H new ATOM 0 HE1 MET A 40 -23.145 1.099 3.374 1.00 0.00 H new ATOM 0 HE2 MET A 40 -21.540 1.365 2.654 1.00 0.00 H new ATOM 0 HE3 MET A 40 -22.599 2.752 3.004 1.00 0.00 H new ATOM 640 N ILE A 41 -19.936 2.456 -3.284 1.00 0.00 N ATOM 641 CA ILE A 41 -20.345 2.405 -4.685 1.00 0.00 C ATOM 642 C ILE A 41 -19.965 1.048 -5.299 1.00 0.00 C ATOM 643 O ILE A 41 -19.025 0.394 -4.841 1.00 0.00 O ATOM 644 CB ILE A 41 -19.691 3.563 -5.482 1.00 0.00 C ATOM 645 CG1 ILE A 41 -20.183 3.583 -6.933 1.00 0.00 C ATOM 646 CG2 ILE A 41 -18.174 3.458 -5.431 1.00 0.00 C ATOM 647 CD1 ILE A 41 -19.615 4.722 -7.755 1.00 0.00 C ATOM 0 H ILE A 41 -19.376 3.274 -3.044 1.00 0.00 H new ATOM 0 HA ILE A 41 -21.428 2.520 -4.737 1.00 0.00 H new ATOM 0 HB ILE A 41 -19.988 4.502 -5.015 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -19.921 2.638 -7.409 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -21.271 3.651 -6.937 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -17.733 4.279 -5.996 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -17.840 3.510 -4.395 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -17.860 2.509 -5.866 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -20.009 4.670 -8.770 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -19.899 5.673 -7.304 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -18.528 4.644 -7.783 1.00 0.00 H new ATOM 659 N SER A 42 -20.696 0.622 -6.326 1.00 0.00 N ATOM 660 CA SER A 42 -20.537 -0.719 -6.891 1.00 0.00 C ATOM 661 C SER A 42 -19.303 -0.817 -7.785 1.00 0.00 C ATOM 662 O SER A 42 -19.311 -1.506 -8.808 1.00 0.00 O ATOM 663 CB SER A 42 -21.786 -1.098 -7.681 1.00 0.00 C ATOM 664 OG SER A 42 -21.880 -2.506 -7.858 1.00 0.00 O ATOM 0 H SER A 42 -21.408 1.188 -6.787 1.00 0.00 H new ATOM 0 HA SER A 42 -20.400 -1.415 -6.064 1.00 0.00 H new ATOM 0 HB2 SER A 42 -22.672 -0.735 -7.160 1.00 0.00 H new ATOM 0 HB3 SER A 42 -21.766 -0.608 -8.654 1.00 0.00 H new ATOM 0 HG SER A 42 -21.048 -2.842 -8.252 1.00 0.00 H new ATOM 670 N TYR A 43 -18.255 -0.127 -7.383 1.00 0.00 N ATOM 671 CA TYR A 43 -16.981 -0.152 -8.063 1.00 0.00 C ATOM 672 C TYR A 43 -15.969 0.551 -7.179 1.00 0.00 C ATOM 673 O TYR A 43 -16.020 1.773 -7.028 1.00 0.00 O ATOM 674 CB TYR A 43 -17.067 0.527 -9.435 1.00 0.00 C ATOM 675 CG TYR A 43 -15.801 0.394 -10.259 1.00 0.00 C ATOM 676 CD1 TYR A 43 -15.663 -0.634 -11.184 1.00 0.00 C ATOM 677 CD2 TYR A 43 -14.746 1.287 -10.112 1.00 0.00 C ATOM 678 CE1 TYR A 43 -14.512 -0.769 -11.937 1.00 0.00 C ATOM 679 CE2 TYR A 43 -13.591 1.159 -10.863 1.00 0.00 C ATOM 680 CZ TYR A 43 -13.479 0.130 -11.774 1.00 0.00 C ATOM 681 OH TYR A 43 -12.330 -0.001 -12.524 1.00 0.00 O ATOM 0 H TYR A 43 -18.267 0.476 -6.561 1.00 0.00 H new ATOM 0 HA TYR A 43 -16.678 -1.184 -8.241 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -17.900 0.098 -9.992 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -17.289 1.585 -9.294 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -16.470 -1.340 -11.317 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -14.829 2.094 -9.400 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -14.422 -1.575 -12.650 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -12.781 1.862 -10.736 1.00 0.00 H new ATOM 0 HH TYR A 43 -11.702 0.713 -12.288 1.00 0.00 H new ATOM 691 N LYS A 44 -15.078 -0.236 -6.584 1.00 0.00 N ATOM 692 CA LYS A 44 -14.114 0.255 -5.602 1.00 0.00 C ATOM 693 C LYS A 44 -13.404 1.513 -6.085 1.00 0.00 C ATOM 694 O LYS A 44 -12.552 1.457 -6.976 1.00 0.00 O ATOM 695 CB LYS A 44 -13.088 -0.834 -5.297 1.00 0.00 C ATOM 696 CG LYS A 44 -13.680 -2.067 -4.636 1.00 0.00 C ATOM 697 CD LYS A 44 -12.634 -3.152 -4.486 1.00 0.00 C ATOM 698 CE LYS A 44 -13.183 -4.392 -3.805 1.00 0.00 C ATOM 699 NZ LYS A 44 -12.181 -5.493 -3.792 1.00 0.00 N ATOM 0 H LYS A 44 -15.003 -1.236 -6.769 1.00 0.00 H new ATOM 0 HA LYS A 44 -14.663 0.511 -4.696 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.600 -1.130 -6.225 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.316 -0.421 -4.648 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -14.080 -1.804 -3.657 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -14.514 -2.439 -5.231 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -12.249 -3.421 -5.470 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.793 -2.766 -3.910 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -13.473 -4.149 -2.783 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -14.084 -4.724 -4.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -12.431 -6.181 -3.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -12.173 -5.966 -4.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -11.238 -5.102 -3.595 1.00 0.00 H new ATOM 713 N GLU A 45 -13.757 2.645 -5.484 1.00 0.00 N ATOM 714 CA GLU A 45 -13.179 3.926 -5.860 1.00 0.00 C ATOM 715 C GLU A 45 -11.755 4.022 -5.333 1.00 0.00 C ATOM 716 O GLU A 45 -10.906 4.698 -5.916 1.00 0.00 O ATOM 717 CB GLU A 45 -14.031 5.082 -5.324 1.00 0.00 C ATOM 718 CG GLU A 45 -13.593 6.439 -5.818 1.00 0.00 C ATOM 719 CD GLU A 45 -14.473 7.561 -5.312 1.00 0.00 C ATOM 720 OE1 GLU A 45 -15.558 7.778 -5.889 1.00 0.00 O ATOM 721 OE2 GLU A 45 -14.080 8.238 -4.341 1.00 0.00 O ATOM 0 H GLU A 45 -14.444 2.699 -4.732 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.159 3.998 -6.947 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.070 4.919 -5.610 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -13.996 5.073 -4.235 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -12.565 6.620 -5.504 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -13.599 6.443 -6.908 1.00 0.00 H new ATOM 728 N ASN A 46 -11.504 3.318 -4.234 1.00 0.00 N ATOM 729 CA ASN A 46 -10.168 3.242 -3.647 1.00 0.00 C ATOM 730 C ASN A 46 -9.183 2.574 -4.610 1.00 0.00 C ATOM 731 O ASN A 46 -7.968 2.649 -4.423 1.00 0.00 O ATOM 732 CB ASN A 46 -10.210 2.468 -2.323 1.00 0.00 C ATOM 733 CG ASN A 46 -10.457 0.983 -2.513 1.00 0.00 C ATOM 734 OD1 ASN A 46 -9.518 0.195 -2.635 1.00 0.00 O ATOM 735 ND2 ASN A 46 -11.718 0.589 -2.546 1.00 0.00 N ATOM 0 H ASN A 46 -12.213 2.788 -3.728 1.00 0.00 H new ATOM 0 HA ASN A 46 -9.827 4.259 -3.455 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -9.267 2.609 -1.796 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.994 2.883 -1.690 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -11.941 -0.398 -2.676 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -12.469 1.272 -2.441 1.00 0.00 H new ATOM 742 N GLY A 47 -9.719 1.901 -5.626 1.00 0.00 N ATOM 743 CA GLY A 47 -8.888 1.333 -6.667 1.00 0.00 C ATOM 744 C GLY A 47 -8.657 -0.155 -6.496 1.00 0.00 C ATOM 745 O GLY A 47 -8.398 -0.858 -7.475 1.00 0.00 O ATOM 0 H GLY A 47 -10.719 1.740 -5.744 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -9.355 1.513 -7.635 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.926 1.846 -6.676 1.00 0.00 H new ATOM 749 N ASP A 48 -8.774 -0.633 -5.256 1.00 0.00 N ATOM 750 CA ASP A 48 -8.441 -2.015 -4.914 1.00 0.00 C ATOM 751 C ASP A 48 -7.017 -2.310 -5.361 1.00 0.00 C ATOM 752 O ASP A 48 -6.761 -3.197 -6.178 1.00 0.00 O ATOM 753 CB ASP A 48 -9.432 -2.982 -5.560 1.00 0.00 C ATOM 754 CG ASP A 48 -9.247 -4.422 -5.110 1.00 0.00 C ATOM 755 OD1 ASP A 48 -8.811 -5.257 -5.930 1.00 0.00 O ATOM 756 OD2 ASP A 48 -9.554 -4.728 -3.936 1.00 0.00 O ATOM 0 H ASP A 48 -9.100 -0.076 -4.466 1.00 0.00 H new ATOM 0 HA ASP A 48 -8.509 -2.149 -3.834 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -10.447 -2.662 -5.324 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -9.325 -2.931 -6.644 1.00 0.00 H new ATOM 761 N VAL A 49 -6.097 -1.521 -4.838 1.00 0.00 N ATOM 762 CA VAL A 49 -4.710 -1.581 -5.244 1.00 0.00 C ATOM 763 C VAL A 49 -3.787 -1.519 -4.041 1.00 0.00 C ATOM 764 O VAL A 49 -3.684 -0.495 -3.374 1.00 0.00 O ATOM 765 CB VAL A 49 -4.364 -0.436 -6.216 1.00 0.00 C ATOM 766 CG1 VAL A 49 -4.361 -0.937 -7.651 1.00 0.00 C ATOM 767 CG2 VAL A 49 -5.346 0.723 -6.066 1.00 0.00 C ATOM 0 H VAL A 49 -6.292 -0.822 -4.121 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.564 -2.533 -5.755 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.366 -0.075 -5.968 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.115 -0.115 -8.323 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.619 -1.728 -7.759 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.347 -1.328 -7.902 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.080 1.518 -6.763 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.356 0.374 -6.282 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -5.304 1.106 -5.046 1.00 0.00 H new ATOM 777 N HIS A 50 -3.127 -2.627 -3.781 1.00 0.00 N ATOM 778 CA HIS A 50 -2.191 -2.751 -2.677 1.00 0.00 C ATOM 779 C HIS A 50 -0.848 -3.194 -3.244 1.00 0.00 C ATOM 780 O HIS A 50 -0.586 -4.389 -3.388 1.00 0.00 O ATOM 781 CB HIS A 50 -2.715 -3.781 -1.666 1.00 0.00 C ATOM 782 CG HIS A 50 -1.968 -3.837 -0.367 1.00 0.00 C ATOM 783 ND1 HIS A 50 -2.564 -3.556 0.841 1.00 0.00 N ATOM 784 CD2 HIS A 50 -0.691 -4.186 -0.080 1.00 0.00 C ATOM 785 CE1 HIS A 50 -1.690 -3.729 1.811 1.00 0.00 C ATOM 786 NE2 HIS A 50 -0.546 -4.111 1.282 1.00 0.00 N ATOM 0 H HIS A 50 -3.224 -3.478 -4.335 1.00 0.00 H new ATOM 0 HA HIS A 50 -2.078 -1.797 -2.161 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -3.762 -3.560 -1.456 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -2.684 -4.768 -2.128 1.00 0.00 H new ATOM 0 HD2 HIS A 50 0.071 -4.470 -0.791 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -1.880 -3.582 2.864 1.00 0.00 H new ATOM 0 HE2 HIS A 50 0.308 -4.317 1.800 1.00 0.00 H new ATOM 795 N VAL A 51 -0.007 -2.231 -3.573 1.00 0.00 N ATOM 796 CA VAL A 51 1.249 -2.520 -4.248 1.00 0.00 C ATOM 797 C VAL A 51 2.435 -2.365 -3.309 1.00 0.00 C ATOM 798 O VAL A 51 2.483 -1.440 -2.493 1.00 0.00 O ATOM 799 CB VAL A 51 1.452 -1.614 -5.483 1.00 0.00 C ATOM 800 CG1 VAL A 51 0.517 -2.006 -6.610 1.00 0.00 C ATOM 801 CG2 VAL A 51 1.243 -0.164 -5.124 1.00 0.00 C ATOM 0 H VAL A 51 -0.169 -1.242 -3.385 1.00 0.00 H new ATOM 0 HA VAL A 51 1.193 -3.557 -4.578 1.00 0.00 H new ATOM 0 HB VAL A 51 2.479 -1.749 -5.823 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.683 -1.351 -7.465 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.711 -3.038 -6.901 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.516 -1.911 -6.275 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.391 0.455 -6.009 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.229 -0.024 -4.749 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.958 0.127 -4.354 1.00 0.00 H new ATOM 811 N LEU A 52 3.378 -3.286 -3.418 1.00 0.00 N ATOM 812 CA LEU A 52 4.599 -3.229 -2.635 1.00 0.00 C ATOM 813 C LEU A 52 5.724 -2.665 -3.485 1.00 0.00 C ATOM 814 O LEU A 52 6.133 -3.271 -4.479 1.00 0.00 O ATOM 815 CB LEU A 52 4.965 -4.613 -2.088 1.00 0.00 C ATOM 816 CG LEU A 52 4.326 -4.975 -0.741 1.00 0.00 C ATOM 817 CD1 LEU A 52 2.810 -4.883 -0.811 1.00 0.00 C ATOM 818 CD2 LEU A 52 4.750 -6.369 -0.308 1.00 0.00 C ATOM 0 H LEU A 52 3.319 -4.087 -4.046 1.00 0.00 H new ATOM 0 HA LEU A 52 4.440 -2.572 -1.780 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.675 -5.364 -2.823 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.049 -4.670 -1.984 1.00 0.00 H new ATOM 0 HG LEU A 52 4.676 -4.256 -0.000 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.384 -5.145 0.158 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.519 -3.866 -1.072 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.438 -5.572 -1.569 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.287 -6.609 0.649 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.432 -7.095 -1.057 1.00 0.00 H new ATOM 0 HD23 LEU A 52 5.835 -6.404 -0.206 1.00 0.00 H new ATOM 830 N THR A 53 6.211 -1.504 -3.093 1.00 0.00 N ATOM 831 CA THR A 53 7.168 -0.764 -3.895 1.00 0.00 C ATOM 832 C THR A 53 8.341 -0.301 -3.036 1.00 0.00 C ATOM 833 O THR A 53 8.393 -0.580 -1.837 1.00 0.00 O ATOM 834 CB THR A 53 6.482 0.452 -4.566 1.00 0.00 C ATOM 835 OG1 THR A 53 7.375 1.106 -5.481 1.00 0.00 O ATOM 836 CG2 THR A 53 6.002 1.450 -3.523 1.00 0.00 C ATOM 0 H THR A 53 5.957 -1.049 -2.216 1.00 0.00 H new ATOM 0 HA THR A 53 7.549 -1.425 -4.674 1.00 0.00 H new ATOM 0 HB THR A 53 5.621 0.077 -5.119 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.919 1.869 -5.894 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.524 2.294 -4.020 1.00 0.00 H new ATOM 0 HG22 THR A 53 5.285 0.966 -2.859 1.00 0.00 H new ATOM 0 HG23 THR A 53 6.852 1.806 -2.941 1.00 0.00 H new ATOM 844 N ILE A 54 9.278 0.393 -3.658 1.00 0.00 N ATOM 845 CA ILE A 54 10.459 0.896 -2.979 1.00 0.00 C ATOM 846 C ILE A 54 10.249 2.339 -2.520 1.00 0.00 C ATOM 847 O ILE A 54 9.886 3.212 -3.315 1.00 0.00 O ATOM 848 CB ILE A 54 11.691 0.816 -3.908 1.00 0.00 C ATOM 849 CG1 ILE A 54 12.217 -0.616 -3.997 1.00 0.00 C ATOM 850 CG2 ILE A 54 12.795 1.738 -3.434 1.00 0.00 C ATOM 851 CD1 ILE A 54 13.096 -0.850 -5.205 1.00 0.00 C ATOM 0 H ILE A 54 9.241 0.624 -4.651 1.00 0.00 H new ATOM 0 HA ILE A 54 10.634 0.273 -2.102 1.00 0.00 H new ATOM 0 HB ILE A 54 11.371 1.136 -4.900 1.00 0.00 H new ATOM 0 HG12 ILE A 54 12.782 -0.846 -3.094 1.00 0.00 H new ATOM 0 HG13 ILE A 54 11.373 -1.305 -4.030 1.00 0.00 H new ATOM 0 HG21 ILE A 54 13.649 1.660 -4.107 1.00 0.00 H new ATOM 0 HG22 ILE A 54 12.432 2.766 -3.426 1.00 0.00 H new ATOM 0 HG23 ILE A 54 13.100 1.453 -2.427 1.00 0.00 H new ATOM 0 HD11 ILE A 54 13.438 -1.885 -5.211 1.00 0.00 H new ATOM 0 HD12 ILE A 54 12.527 -0.650 -6.113 1.00 0.00 H new ATOM 0 HD13 ILE A 54 13.958 -0.184 -5.163 1.00 0.00 H new ATOM 863 N CYS A 55 10.457 2.578 -1.230 1.00 0.00 N ATOM 864 CA CYS A 55 10.383 3.926 -0.685 1.00 0.00 C ATOM 865 C CYS A 55 11.695 4.662 -0.917 1.00 0.00 C ATOM 866 O CYS A 55 12.666 4.067 -1.394 1.00 0.00 O ATOM 867 CB CYS A 55 10.074 3.896 0.815 1.00 0.00 C ATOM 868 SG CYS A 55 11.451 3.331 1.850 1.00 0.00 S ATOM 0 H CYS A 55 10.678 1.856 -0.544 1.00 0.00 H new ATOM 0 HA CYS A 55 9.577 4.450 -1.198 1.00 0.00 H new ATOM 0 HB2 CYS A 55 9.782 4.897 1.134 1.00 0.00 H new ATOM 0 HB3 CYS A 55 9.217 3.245 0.984 1.00 0.00 H new ATOM 873 N GLU A 56 11.733 5.936 -0.557 1.00 0.00 N ATOM 874 CA GLU A 56 12.941 6.734 -0.689 1.00 0.00 C ATOM 875 C GLU A 56 14.093 6.067 0.063 1.00 0.00 C ATOM 876 O GLU A 56 15.199 5.927 -0.463 1.00 0.00 O ATOM 877 CB GLU A 56 12.697 8.139 -0.139 1.00 0.00 C ATOM 878 CG GLU A 56 13.869 9.080 -0.328 1.00 0.00 C ATOM 879 CD GLU A 56 13.704 10.362 0.454 1.00 0.00 C ATOM 880 OE1 GLU A 56 14.139 10.401 1.623 1.00 0.00 O ATOM 881 OE2 GLU A 56 13.145 11.333 -0.092 1.00 0.00 O ATOM 0 H GLU A 56 10.936 6.441 -0.169 1.00 0.00 H new ATOM 0 HA GLU A 56 13.206 6.808 -1.744 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.820 8.563 -0.627 1.00 0.00 H new ATOM 0 HB3 GLU A 56 12.467 8.068 0.924 1.00 0.00 H new ATOM 0 HG2 GLU A 56 14.787 8.582 -0.016 1.00 0.00 H new ATOM 0 HG3 GLU A 56 13.978 9.314 -1.387 1.00 0.00 H new ATOM 888 N ASP A 57 13.795 5.629 1.284 1.00 0.00 N ATOM 889 CA ASP A 57 14.770 4.962 2.144 1.00 0.00 C ATOM 890 C ASP A 57 15.361 3.719 1.484 1.00 0.00 C ATOM 891 O ASP A 57 16.580 3.557 1.441 1.00 0.00 O ATOM 892 CB ASP A 57 14.118 4.589 3.481 1.00 0.00 C ATOM 893 CG ASP A 57 14.901 3.539 4.249 1.00 0.00 C ATOM 894 OD1 ASP A 57 15.971 3.865 4.802 1.00 0.00 O ATOM 895 OD2 ASP A 57 14.442 2.378 4.306 1.00 0.00 O ATOM 0 H ASP A 57 12.871 5.726 1.705 1.00 0.00 H new ATOM 0 HA ASP A 57 15.589 5.660 2.317 1.00 0.00 H new ATOM 0 HB2 ASP A 57 14.022 5.485 4.095 1.00 0.00 H new ATOM 0 HB3 ASP A 57 13.109 4.220 3.297 1.00 0.00 H new ATOM 900 N CYS A 58 14.510 2.850 0.953 1.00 0.00 N ATOM 901 CA CYS A 58 14.994 1.601 0.381 1.00 0.00 C ATOM 902 C CYS A 58 15.696 1.844 -0.954 1.00 0.00 C ATOM 903 O CYS A 58 16.657 1.165 -1.268 1.00 0.00 O ATOM 904 CB CYS A 58 13.875 0.558 0.252 1.00 0.00 C ATOM 905 SG CYS A 58 13.207 0.016 1.849 1.00 0.00 S ATOM 0 H CYS A 58 13.500 2.983 0.906 1.00 0.00 H new ATOM 0 HA CYS A 58 15.730 1.189 1.072 1.00 0.00 H new ATOM 0 HB2 CYS A 58 13.067 0.976 -0.349 1.00 0.00 H new ATOM 0 HB3 CYS A 58 14.257 -0.309 -0.287 1.00 0.00 H new ATOM 910 N GLN A 59 15.214 2.807 -1.733 1.00 0.00 N ATOM 911 CA GLN A 59 15.916 3.260 -2.931 1.00 0.00 C ATOM 912 C GLN A 59 17.334 3.698 -2.568 1.00 0.00 C ATOM 913 O GLN A 59 18.277 3.454 -3.301 1.00 0.00 O ATOM 914 CB GLN A 59 15.136 4.415 -3.569 1.00 0.00 C ATOM 915 CG GLN A 59 15.441 4.728 -5.042 1.00 0.00 C ATOM 916 CD GLN A 59 16.902 5.009 -5.348 1.00 0.00 C ATOM 917 OE1 GLN A 59 17.647 4.120 -5.760 1.00 0.00 O ATOM 918 NE2 GLN A 59 17.324 6.246 -5.134 1.00 0.00 N ATOM 0 H GLN A 59 14.334 3.292 -1.555 1.00 0.00 H new ATOM 0 HA GLN A 59 15.985 2.443 -3.649 1.00 0.00 H new ATOM 0 HB2 GLN A 59 14.072 4.195 -3.482 1.00 0.00 H new ATOM 0 HB3 GLN A 59 15.324 5.316 -2.985 1.00 0.00 H new ATOM 0 HG2 GLN A 59 15.113 3.887 -5.652 1.00 0.00 H new ATOM 0 HG3 GLN A 59 14.849 5.592 -5.345 1.00 0.00 H new ATOM 0 HE21 GLN A 59 16.675 6.954 -4.792 1.00 0.00 H new ATOM 0 HE22 GLN A 59 18.298 6.490 -5.311 1.00 0.00 H new ATOM 927 N GLU A 60 17.506 4.338 -1.434 1.00 0.00 N ATOM 928 CA GLU A 60 18.819 4.731 -1.033 1.00 0.00 C ATOM 929 C GLU A 60 19.610 3.550 -0.488 1.00 0.00 C ATOM 930 O GLU A 60 20.824 3.478 -0.658 1.00 0.00 O ATOM 931 CB GLU A 60 18.719 5.837 -0.013 1.00 0.00 C ATOM 932 CG GLU A 60 18.358 7.181 -0.599 1.00 0.00 C ATOM 933 CD GLU A 60 18.398 8.301 0.419 1.00 0.00 C ATOM 934 OE1 GLU A 60 19.356 9.102 0.386 1.00 0.00 O ATOM 935 OE2 GLU A 60 17.475 8.391 1.256 1.00 0.00 O ATOM 0 H GLU A 60 16.759 4.591 -0.787 1.00 0.00 H new ATOM 0 HA GLU A 60 19.359 5.099 -1.906 1.00 0.00 H new ATOM 0 HB2 GLU A 60 17.971 5.564 0.732 1.00 0.00 H new ATOM 0 HB3 GLU A 60 19.672 5.924 0.509 1.00 0.00 H new ATOM 0 HG2 GLU A 60 19.045 7.413 -1.413 1.00 0.00 H new ATOM 0 HG3 GLU A 60 17.359 7.126 -1.031 1.00 0.00 H new ATOM 942 N ALA A 61 18.919 2.629 0.159 1.00 0.00 N ATOM 943 CA ALA A 61 19.500 1.339 0.501 1.00 0.00 C ATOM 944 C ALA A 61 20.003 0.679 -0.775 1.00 0.00 C ATOM 945 O ALA A 61 20.973 -0.075 -0.781 1.00 0.00 O ATOM 946 CB ALA A 61 18.470 0.464 1.200 1.00 0.00 C ATOM 0 H ALA A 61 17.952 2.749 0.460 1.00 0.00 H new ATOM 0 HA ALA A 61 20.335 1.476 1.188 1.00 0.00 H new ATOM 0 HB1 ALA A 61 18.919 -0.497 1.450 1.00 0.00 H new ATOM 0 HB2 ALA A 61 18.134 0.956 2.113 1.00 0.00 H new ATOM 0 HB3 ALA A 61 17.618 0.306 0.539 1.00 0.00 H new ATOM 952 N LEU A 62 19.311 1.007 -1.852 1.00 0.00 N ATOM 953 CA LEU A 62 19.583 0.485 -3.184 1.00 0.00 C ATOM 954 C LEU A 62 20.794 1.166 -3.814 1.00 0.00 C ATOM 955 O LEU A 62 21.776 0.525 -4.185 1.00 0.00 O ATOM 956 CB LEU A 62 18.374 0.769 -4.078 1.00 0.00 C ATOM 957 CG LEU A 62 17.154 -0.160 -3.971 1.00 0.00 C ATOM 958 CD1 LEU A 62 16.830 -0.777 -5.316 1.00 0.00 C ATOM 959 CD2 LEU A 62 17.351 -1.241 -2.924 1.00 0.00 C ATOM 0 H LEU A 62 18.526 1.658 -1.826 1.00 0.00 H new ATOM 0 HA LEU A 62 19.780 -0.583 -3.095 1.00 0.00 H new ATOM 0 HB2 LEU A 62 18.038 1.785 -3.870 1.00 0.00 H new ATOM 0 HB3 LEU A 62 18.715 0.752 -5.113 1.00 0.00 H new ATOM 0 HG LEU A 62 16.310 0.453 -3.653 1.00 0.00 H new ATOM 0 HD11 LEU A 62 15.963 -1.431 -5.217 1.00 0.00 H new ATOM 0 HD12 LEU A 62 16.609 0.012 -6.035 1.00 0.00 H new ATOM 0 HD13 LEU A 62 17.684 -1.357 -5.665 1.00 0.00 H new ATOM 0 HD21 LEU A 62 16.464 -1.874 -2.883 1.00 0.00 H new ATOM 0 HD22 LEU A 62 18.218 -1.848 -3.186 1.00 0.00 H new ATOM 0 HD23 LEU A 62 17.512 -0.779 -1.950 1.00 0.00 H new ATOM 971 N ASP A 63 20.694 2.475 -3.949 1.00 0.00 N ATOM 972 CA ASP A 63 21.696 3.262 -4.654 1.00 0.00 C ATOM 973 C ASP A 63 22.996 3.399 -3.855 1.00 0.00 C ATOM 974 O ASP A 63 24.074 3.538 -4.434 1.00 0.00 O ATOM 975 CB ASP A 63 21.116 4.637 -5.019 1.00 0.00 C ATOM 976 CG ASP A 63 22.150 5.571 -5.618 1.00 0.00 C ATOM 977 OD1 ASP A 63 22.600 5.314 -6.754 1.00 0.00 O ATOM 978 OD2 ASP A 63 22.496 6.580 -4.970 1.00 0.00 O ATOM 0 H ASP A 63 19.920 3.024 -3.575 1.00 0.00 H new ATOM 0 HA ASP A 63 21.955 2.732 -5.571 1.00 0.00 H new ATOM 0 HB2 ASP A 63 20.299 4.505 -5.728 1.00 0.00 H new ATOM 0 HB3 ASP A 63 20.692 5.096 -4.126 1.00 0.00 H new ATOM 983 N ARG A 64 22.912 3.333 -2.534 1.00 0.00 N ATOM 984 CA ARG A 64 24.102 3.494 -1.699 1.00 0.00 C ATOM 985 C ARG A 64 24.754 2.148 -1.382 1.00 0.00 C ATOM 986 O ARG A 64 25.944 2.088 -1.066 1.00 0.00 O ATOM 987 CB ARG A 64 23.761 4.231 -0.403 1.00 0.00 C ATOM 988 CG ARG A 64 23.176 5.616 -0.629 1.00 0.00 C ATOM 989 CD ARG A 64 22.852 6.312 0.684 1.00 0.00 C ATOM 990 NE ARG A 64 21.953 5.519 1.521 1.00 0.00 N ATOM 991 CZ ARG A 64 21.201 6.021 2.499 1.00 0.00 C ATOM 992 NH1 ARG A 64 21.205 7.325 2.748 1.00 0.00 N ATOM 993 NH2 ARG A 64 20.437 5.218 3.225 1.00 0.00 N ATOM 0 H ARG A 64 22.046 3.171 -2.019 1.00 0.00 H new ATOM 0 HA ARG A 64 24.817 4.090 -2.266 1.00 0.00 H new ATOM 0 HB2 ARG A 64 23.051 3.634 0.169 1.00 0.00 H new ATOM 0 HB3 ARG A 64 24.663 4.321 0.203 1.00 0.00 H new ATOM 0 HG2 ARG A 64 23.883 6.221 -1.197 1.00 0.00 H new ATOM 0 HG3 ARG A 64 22.271 5.535 -1.231 1.00 0.00 H new ATOM 0 HD2 ARG A 64 23.776 6.506 1.228 1.00 0.00 H new ATOM 0 HD3 ARG A 64 22.395 7.280 0.477 1.00 0.00 H new ATOM 0 HE ARG A 64 21.898 4.516 1.344 1.00 0.00 H new ATOM 0 HH11 ARG A 64 21.786 7.949 2.189 1.00 0.00 H new ATOM 0 HH12 ARG A 64 20.627 7.703 3.499 1.00 0.00 H new ATOM 0 HH21 ARG A 64 20.425 4.216 3.035 1.00 0.00 H new ATOM 0 HH22 ARG A 64 19.861 5.602 3.974 1.00 0.00 H new ATOM 1007 N ASN A 65 23.984 1.074 -1.467 1.00 0.00 N ATOM 1008 CA ASN A 65 24.502 -0.268 -1.204 1.00 0.00 C ATOM 1009 C ASN A 65 24.046 -1.231 -2.292 1.00 0.00 C ATOM 1010 O ASN A 65 22.853 -1.344 -2.556 1.00 0.00 O ATOM 1011 CB ASN A 65 24.036 -0.783 0.163 1.00 0.00 C ATOM 1012 CG ASN A 65 24.591 0.022 1.322 1.00 0.00 C ATOM 1013 OD1 ASN A 65 23.983 0.995 1.766 1.00 0.00 O ATOM 1014 ND2 ASN A 65 25.745 -0.382 1.831 1.00 0.00 N ATOM 0 H ASN A 65 22.995 1.102 -1.716 1.00 0.00 H new ATOM 0 HA ASN A 65 25.590 -0.211 -1.201 1.00 0.00 H new ATOM 0 HB2 ASN A 65 22.947 -0.760 0.201 1.00 0.00 H new ATOM 0 HB3 ASN A 65 24.337 -1.825 0.274 1.00 0.00 H new ATOM 0 HD21 ASN A 65 26.158 0.118 2.618 1.00 0.00 H new ATOM 0 HD22 ASN A 65 26.220 -1.194 1.436 1.00 0.00 H new ATOM 1021 N PRO A 66 24.991 -1.943 -2.932 1.00 0.00 N ATOM 1022 CA PRO A 66 24.682 -2.873 -4.027 1.00 0.00 C ATOM 1023 C PRO A 66 23.611 -3.893 -3.649 1.00 0.00 C ATOM 1024 O PRO A 66 23.886 -4.857 -2.929 1.00 0.00 O ATOM 1025 CB PRO A 66 26.012 -3.578 -4.290 1.00 0.00 C ATOM 1026 CG PRO A 66 27.051 -2.635 -3.795 1.00 0.00 C ATOM 1027 CD PRO A 66 26.435 -1.901 -2.638 1.00 0.00 C ATOM 0 HA PRO A 66 24.281 -2.348 -4.894 1.00 0.00 H new ATOM 0 HB2 PRO A 66 26.063 -4.532 -3.766 1.00 0.00 H new ATOM 0 HB3 PRO A 66 26.144 -3.789 -5.351 1.00 0.00 H new ATOM 0 HG2 PRO A 66 27.947 -3.172 -3.483 1.00 0.00 H new ATOM 0 HG3 PRO A 66 27.353 -1.941 -4.580 1.00 0.00 H new ATOM 0 HD2 PRO A 66 26.665 -2.384 -1.688 1.00 0.00 H new ATOM 0 HD3 PRO A 66 26.801 -0.877 -2.572 1.00 0.00 H new ATOM 1035 N HIS A 67 22.389 -3.657 -4.137 1.00 0.00 N ATOM 1036 CA HIS A 67 21.242 -4.529 -3.869 1.00 0.00 C ATOM 1037 C HIS A 67 20.918 -4.560 -2.381 1.00 0.00 C ATOM 1038 O HIS A 67 20.347 -5.529 -1.880 1.00 0.00 O ATOM 1039 CB HIS A 67 21.489 -5.953 -4.382 1.00 0.00 C ATOM 1040 CG HIS A 67 21.660 -6.039 -5.865 1.00 0.00 C ATOM 1041 ND1 HIS A 67 20.617 -6.280 -6.729 1.00 0.00 N ATOM 1042 CD2 HIS A 67 22.762 -5.909 -6.638 1.00 0.00 C ATOM 1043 CE1 HIS A 67 21.068 -6.296 -7.968 1.00 0.00 C ATOM 1044 NE2 HIS A 67 22.370 -6.071 -7.944 1.00 0.00 N ATOM 0 H HIS A 67 22.168 -2.856 -4.729 1.00 0.00 H new ATOM 0 HA HIS A 67 20.388 -4.116 -4.406 1.00 0.00 H new ATOM 0 HB2 HIS A 67 22.380 -6.354 -3.899 1.00 0.00 H new ATOM 0 HB3 HIS A 67 20.653 -6.586 -4.085 1.00 0.00 H new ATOM 0 HD2 HIS A 67 23.766 -5.714 -6.292 1.00 0.00 H new ATOM 0 HE1 HIS A 67 20.473 -6.465 -8.854 1.00 0.00 H new ATOM 0 HE2 HIS A 67 22.981 -6.025 -8.759 1.00 0.00 H new ATOM 1053 N TYR A 68 21.282 -3.478 -1.694 1.00 0.00 N ATOM 1054 CA TYR A 68 21.114 -3.361 -0.249 1.00 0.00 C ATOM 1055 C TYR A 68 21.744 -4.550 0.472 1.00 0.00 C ATOM 1056 O TYR A 68 21.049 -5.369 1.079 1.00 0.00 O ATOM 1057 CB TYR A 68 19.634 -3.209 0.127 1.00 0.00 C ATOM 1058 CG TYR A 68 19.402 -3.051 1.616 1.00 0.00 C ATOM 1059 CD1 TYR A 68 18.386 -3.747 2.257 1.00 0.00 C ATOM 1060 CD2 TYR A 68 20.210 -2.219 2.380 1.00 0.00 C ATOM 1061 CE1 TYR A 68 18.181 -3.617 3.616 1.00 0.00 C ATOM 1062 CE2 TYR A 68 20.011 -2.083 3.738 1.00 0.00 C ATOM 1063 CZ TYR A 68 18.997 -2.783 4.352 1.00 0.00 C ATOM 1064 OH TYR A 68 18.799 -2.650 5.706 1.00 0.00 O ATOM 0 H TYR A 68 21.703 -2.656 -2.127 1.00 0.00 H new ATOM 0 HA TYR A 68 21.632 -2.459 0.075 1.00 0.00 H new ATOM 0 HB2 TYR A 68 19.223 -2.342 -0.391 1.00 0.00 H new ATOM 0 HB3 TYR A 68 19.086 -4.082 -0.228 1.00 0.00 H new ATOM 0 HD1 TYR A 68 17.746 -4.401 1.683 1.00 0.00 H new ATOM 0 HD2 TYR A 68 21.008 -1.669 1.903 1.00 0.00 H new ATOM 0 HE1 TYR A 68 17.386 -4.165 4.100 1.00 0.00 H new ATOM 0 HE2 TYR A 68 20.648 -1.430 4.317 1.00 0.00 H new ATOM 0 HH TYR A 68 19.460 -2.026 6.074 1.00 0.00 H new ATOM 1074 N HIS A 69 23.069 -4.640 0.387 1.00 0.00 N ATOM 1075 CA HIS A 69 23.828 -5.693 1.064 1.00 0.00 C ATOM 1076 C HIS A 69 23.492 -7.068 0.482 1.00 0.00 C ATOM 1077 O HIS A 69 22.742 -7.175 -0.488 1.00 0.00 O ATOM 1078 CB HIS A 69 23.561 -5.670 2.577 1.00 0.00 C ATOM 1079 CG HIS A 69 24.064 -4.436 3.268 1.00 0.00 C ATOM 1080 ND1 HIS A 69 25.211 -4.410 4.034 1.00 0.00 N ATOM 1081 CD2 HIS A 69 23.560 -3.178 3.314 1.00 0.00 C ATOM 1082 CE1 HIS A 69 25.386 -3.194 4.518 1.00 0.00 C ATOM 1083 NE2 HIS A 69 24.400 -2.427 4.096 1.00 0.00 N ATOM 0 H HIS A 69 23.645 -3.991 -0.149 1.00 0.00 H new ATOM 0 HA HIS A 69 24.888 -5.502 0.899 1.00 0.00 H new ATOM 0 HB2 HIS A 69 22.488 -5.757 2.747 1.00 0.00 H new ATOM 0 HB3 HIS A 69 24.028 -6.544 3.031 1.00 0.00 H new ATOM 0 HD2 HIS A 69 22.662 -2.831 2.825 1.00 0.00 H new ATOM 0 HE1 HIS A 69 26.201 -2.880 5.154 1.00 0.00 H new ATOM 0 HE2 HIS A 69 24.281 -1.438 4.315 1.00 0.00 H new ATOM 1092 N GLU A 70 24.063 -8.111 1.065 1.00 0.00 N ATOM 1093 CA GLU A 70 23.842 -9.471 0.593 1.00 0.00 C ATOM 1094 C GLU A 70 22.924 -10.239 1.534 1.00 0.00 C ATOM 1095 O GLU A 70 22.431 -9.684 2.520 1.00 0.00 O ATOM 1096 CB GLU A 70 25.172 -10.208 0.450 1.00 0.00 C ATOM 1097 CG GLU A 70 26.023 -9.711 -0.703 1.00 0.00 C ATOM 1098 CD GLU A 70 25.383 -9.984 -2.048 1.00 0.00 C ATOM 1099 OE1 GLU A 70 25.477 -11.134 -2.532 1.00 0.00 O ATOM 1100 OE2 GLU A 70 24.786 -9.056 -2.627 1.00 0.00 O ATOM 0 H GLU A 70 24.686 -8.042 1.870 1.00 0.00 H new ATOM 0 HA GLU A 70 23.360 -9.410 -0.383 1.00 0.00 H new ATOM 0 HB2 GLU A 70 25.736 -10.105 1.377 1.00 0.00 H new ATOM 0 HB3 GLU A 70 24.975 -11.271 0.313 1.00 0.00 H new ATOM 0 HG2 GLU A 70 26.190 -8.639 -0.593 1.00 0.00 H new ATOM 0 HG3 GLU A 70 27.001 -10.192 -0.664 1.00 0.00 H new ATOM 1107 N TYR A 71 22.701 -11.511 1.233 1.00 0.00 N ATOM 1108 CA TYR A 71 21.846 -12.345 2.061 1.00 0.00 C ATOM 1109 C TYR A 71 22.585 -12.767 3.323 1.00 0.00 C ATOM 1110 O TYR A 71 22.177 -12.434 4.438 1.00 0.00 O ATOM 1111 CB TYR A 71 21.375 -13.580 1.281 1.00 0.00 C ATOM 1112 CG TYR A 71 20.445 -14.475 2.072 1.00 0.00 C ATOM 1113 CD1 TYR A 71 19.094 -14.178 2.186 1.00 0.00 C ATOM 1114 CD2 TYR A 71 20.921 -15.615 2.710 1.00 0.00 C ATOM 1115 CE1 TYR A 71 18.245 -14.987 2.915 1.00 0.00 C ATOM 1116 CE2 TYR A 71 20.077 -16.429 3.439 1.00 0.00 C ATOM 1117 CZ TYR A 71 18.741 -16.110 3.539 1.00 0.00 C ATOM 1118 OH TYR A 71 17.896 -16.916 4.272 1.00 0.00 O ATOM 0 H TYR A 71 23.100 -11.986 0.423 1.00 0.00 H new ATOM 0 HA TYR A 71 20.969 -11.764 2.346 1.00 0.00 H new ATOM 0 HB2 TYR A 71 20.868 -13.255 0.373 1.00 0.00 H new ATOM 0 HB3 TYR A 71 22.246 -14.158 0.971 1.00 0.00 H new ATOM 0 HD1 TYR A 71 18.700 -13.300 1.696 1.00 0.00 H new ATOM 0 HD2 TYR A 71 21.968 -15.868 2.634 1.00 0.00 H new ATOM 0 HE1 TYR A 71 17.197 -14.740 2.995 1.00 0.00 H new ATOM 0 HE2 TYR A 71 20.463 -17.311 3.928 1.00 0.00 H new ATOM 0 HH TYR A 71 18.403 -17.667 4.646 1.00 0.00 H new ATOM 1128 N HIS A 72 23.682 -13.489 3.144 1.00 0.00 N ATOM 1129 CA HIS A 72 24.463 -13.979 4.270 1.00 0.00 C ATOM 1130 C HIS A 72 25.922 -14.162 3.875 1.00 0.00 C ATOM 1131 O HIS A 72 26.823 -13.704 4.574 1.00 0.00 O ATOM 1132 CB HIS A 72 23.883 -15.306 4.784 1.00 0.00 C ATOM 1133 CG HIS A 72 24.558 -15.833 6.018 1.00 0.00 C ATOM 1134 ND1 HIS A 72 24.028 -15.696 7.283 1.00 0.00 N ATOM 1135 CD2 HIS A 72 25.714 -16.522 6.171 1.00 0.00 C ATOM 1136 CE1 HIS A 72 24.832 -16.271 8.160 1.00 0.00 C ATOM 1137 NE2 HIS A 72 25.861 -16.780 7.510 1.00 0.00 N ATOM 0 H HIS A 72 24.051 -13.748 2.229 1.00 0.00 H new ATOM 0 HA HIS A 72 24.412 -13.239 5.069 1.00 0.00 H new ATOM 0 HB2 HIS A 72 22.822 -15.170 4.993 1.00 0.00 H new ATOM 0 HB3 HIS A 72 23.959 -16.053 3.994 1.00 0.00 H new ATOM 0 HD2 HIS A 72 26.394 -16.814 5.384 1.00 0.00 H new ATOM 0 HE1 HIS A 72 24.674 -16.317 9.227 1.00 0.00 H new ATOM 0 HE2 HIS A 72 26.640 -17.284 7.934 1.00 0.00 H new ATOM 1146 N THR A 73 26.149 -14.831 2.757 1.00 0.00 N ATOM 1147 CA THR A 73 27.498 -15.154 2.322 1.00 0.00 C ATOM 1148 C THR A 73 27.986 -14.163 1.264 1.00 0.00 C ATOM 1149 O THR A 73 27.444 -14.176 0.138 1.00 0.00 O ATOM 1150 CB THR A 73 27.557 -16.586 1.764 1.00 0.00 C ATOM 1151 OG1 THR A 73 26.826 -17.474 2.627 1.00 0.00 O ATOM 1152 CG2 THR A 73 28.996 -17.062 1.645 1.00 0.00 C ATOM 1153 OXT THR A 73 28.911 -13.375 1.560 1.00 0.00 O ATOM 0 H THR A 73 25.414 -15.162 2.132 1.00 0.00 H new ATOM 0 HA THR A 73 28.154 -15.084 3.190 1.00 0.00 H new ATOM 0 HB THR A 73 27.108 -16.586 0.771 1.00 0.00 H new ATOM 0 HG1 THR A 73 26.864 -18.385 2.267 1.00 0.00 H new ATOM 0 HG21 THR A 73 29.012 -18.077 1.248 1.00 0.00 H new ATOM 0 HG22 THR A 73 29.543 -16.401 0.973 1.00 0.00 H new ATOM 0 HG23 THR A 73 29.466 -17.049 2.628 1.00 0.00 H new TER 1161 THR A 73 HETATM 1162 ZN ZN A 101 11.221 1.089 2.262 1.00 0.00 ZN