USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 760 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 49 SER OG : rot 69:sc= 0.06 USER MOD Set 1.2: A 50 ASN : amide:sc= 0.0378 X(o=0.098,f=0.019) USER MOD Set 2.1: A 11 LYS NZ :NH3+ 145:sc= 1.27 (180deg=0) USER MOD Set 2.2: A 47 TYR OH : rot 150:sc= 1.05 USER MOD Set 3.1: A 4 LYS NZ :NH3+ 170:sc= 2.44 (180deg=0.887) USER MOD Set 3.2: A 7 SER OG : rot 180:sc= 1.06 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.195 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.493 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN :FLIP amide:sc= -0.0476 F(o=-3.3!,f=-0.048) USER MOD Single : A 21 SER OG : rot 180:sc=0.000215 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -1.38! C(o=-1.4!,f=-9.5!) USER MOD Single : A 28 GLN : amide:sc= 0.17 K(o=0.17,f=-8!) USER MOD Single : A 31 ASN : amide:sc= -0.05 K(o=-0.05,f=-0.99!) USER MOD Single : A 36 ASN : amide:sc= 0.702 K(o=0.7,f=-6.1!) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.678 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 46 LYS NZ :NH3+ 162:sc= -0.0596 (180deg=-0.315) USER MOD Single : A 51 HIS : +bothHN:sc= 1.94 K(o=1.9,f=-8.8!) USER MOD Single : A 52 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 54 GLN : amide:sc= -0.144 K(o=-0.14,f=-0.71) USER MOD Single : A 56 THR OG1 : rot 16:sc= 1.07 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 91:sc=0.000377 USER MOD Single : A 67 GLN : amide:sc= 0.859 K(o=0.86,f=-0.55) USER MOD Single : A 70 GLN : amide:sc= 0.826 K(o=0.83,f=-0.065) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -0.251! C(o=-0.25!,f=-4.1!) USER MOD Single : A 78 GLN : amide:sc= 0.651 K(o=0.65,f=-0.01) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.0137 USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=-0.0037) USER MOD Single : A 88 SER OG : rot 180:sc= 0.0429 USER MOD Single : A 89 CYS SG : rot -28:sc= -0.261 USER MOD Single : A 92 HIS : no HE2:sc= -0.022 K(o=-0.022,f=-1.6) USER MOD Single : A 93 HIS : no HE2:sc= 0.851 K(o=0.85,f=-3.2!) USER MOD Single : A 94 HIS : no HE2:sc= 1.08 K(o=1.1,f=-5.3!) USER MOD Single : A 95 HIS : no HD1:sc= -0.0328 X(o=-0.033,f=-0.033) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.335 21.894 -2.979 1.00 0.00 N ATOM 2 CA MET A 1 5.338 21.437 -1.991 1.00 0.00 C ATOM 3 C MET A 1 5.703 20.050 -1.475 1.00 0.00 C ATOM 4 O MET A 1 5.915 19.123 -2.262 1.00 0.00 O ATOM 5 CB MET A 1 3.943 21.408 -2.625 1.00 0.00 C ATOM 6 CG MET A 1 2.846 20.973 -1.666 1.00 0.00 C ATOM 7 SD MET A 1 1.232 20.852 -2.466 1.00 0.00 S ATOM 8 CE MET A 1 0.213 20.349 -1.077 1.00 0.00 C ATOM 0 H1 MET A 1 6.075 22.840 -3.323 1.00 0.00 H new ATOM 0 H2 MET A 1 7.273 21.934 -2.532 1.00 0.00 H new ATOM 0 H3 MET A 1 6.361 21.230 -3.779 1.00 0.00 H new ATOM 0 HA MET A 1 5.333 22.134 -1.153 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.707 22.401 -3.008 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.956 20.732 -3.480 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.107 20.006 -1.235 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.786 21.684 -0.842 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.819 20.231 -1.407 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.579 19.401 -0.682 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.260 21.109 -0.297 1.00 0.00 H new ATOM 20 N PRO A 2 5.805 19.893 -0.147 1.00 0.00 N ATOM 21 CA PRO A 2 6.107 18.604 0.473 1.00 0.00 C ATOM 22 C PRO A 2 4.938 17.632 0.365 1.00 0.00 C ATOM 23 O PRO A 2 3.776 18.033 0.450 1.00 0.00 O ATOM 24 CB PRO A 2 6.376 18.951 1.944 1.00 0.00 C ATOM 25 CG PRO A 2 6.476 20.440 1.998 1.00 0.00 C ATOM 26 CD PRO A 2 5.650 20.952 0.855 1.00 0.00 C ATOM 0 HA PRO A 2 6.947 18.109 -0.014 1.00 0.00 H new ATOM 0 HB2 PRO A 2 5.572 18.589 2.585 1.00 0.00 H new ATOM 0 HB3 PRO A 2 7.297 18.484 2.294 1.00 0.00 H new ATOM 0 HG2 PRO A 2 6.105 20.822 2.949 1.00 0.00 H new ATOM 0 HG3 PRO A 2 7.512 20.765 1.907 1.00 0.00 H new ATOM 0 HD2 PRO A 2 4.607 21.093 1.139 1.00 0.00 H new ATOM 0 HD3 PRO A 2 6.013 21.913 0.490 1.00 0.00 H new ATOM 34 N THR A 3 5.250 16.359 0.164 1.00 0.00 N ATOM 35 CA THR A 3 4.225 15.335 0.060 1.00 0.00 C ATOM 36 C THR A 3 4.784 13.973 0.473 1.00 0.00 C ATOM 37 O THR A 3 5.994 13.815 0.647 1.00 0.00 O ATOM 38 CB THR A 3 3.645 15.256 -1.375 1.00 0.00 C ATOM 39 OG1 THR A 3 2.581 14.298 -1.433 1.00 0.00 O ATOM 40 CG2 THR A 3 4.722 14.881 -2.385 1.00 0.00 C ATOM 0 H THR A 3 6.205 16.013 0.070 1.00 0.00 H new ATOM 0 HA THR A 3 3.417 15.610 0.738 1.00 0.00 H new ATOM 0 HB THR A 3 3.258 16.243 -1.629 1.00 0.00 H new ATOM 0 HG1 THR A 3 2.224 14.261 -2.345 1.00 0.00 H new ATOM 0 HG21 THR A 3 4.285 14.833 -3.382 1.00 0.00 H new ATOM 0 HG22 THR A 3 5.512 15.632 -2.370 1.00 0.00 H new ATOM 0 HG23 THR A 3 5.141 13.909 -2.126 1.00 0.00 H new ATOM 48 N LYS A 4 3.899 13.003 0.632 1.00 0.00 N ATOM 49 CA LYS A 4 4.288 11.660 1.027 1.00 0.00 C ATOM 50 C LYS A 4 3.287 10.640 0.494 1.00 0.00 C ATOM 51 O LYS A 4 2.134 10.594 0.921 1.00 0.00 O ATOM 52 CB LYS A 4 4.419 11.562 2.554 1.00 0.00 C ATOM 53 CG LYS A 4 4.683 10.152 3.071 1.00 0.00 C ATOM 54 CD LYS A 4 5.825 9.463 2.334 1.00 0.00 C ATOM 55 CE LYS A 4 6.134 8.107 2.948 1.00 0.00 C ATOM 56 NZ LYS A 4 4.921 7.256 3.063 1.00 0.00 N ATOM 0 H LYS A 4 2.896 13.123 0.492 1.00 0.00 H new ATOM 0 HA LYS A 4 5.263 11.437 0.593 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.229 12.214 2.880 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.504 11.939 3.011 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.916 10.197 4.135 1.00 0.00 H new ATOM 0 HG3 LYS A 4 3.777 9.555 2.968 1.00 0.00 H new ATOM 0 HD2 LYS A 4 5.561 9.338 1.284 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.715 10.092 2.367 1.00 0.00 H new ATOM 0 HE2 LYS A 4 6.879 7.595 2.339 1.00 0.00 H new ATOM 0 HE3 LYS A 4 6.572 8.248 3.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 5.199 6.289 3.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 4.292 7.645 3.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 4.422 7.237 2.151 1.00 0.00 H new ATOM 70 N THR A 5 3.739 9.849 -0.465 1.00 0.00 N ATOM 71 CA THR A 5 2.925 8.806 -1.060 1.00 0.00 C ATOM 72 C THR A 5 3.248 7.455 -0.399 1.00 0.00 C ATOM 73 O THR A 5 3.408 7.390 0.820 1.00 0.00 O ATOM 74 CB THR A 5 3.147 8.774 -2.601 1.00 0.00 C ATOM 75 OG1 THR A 5 2.368 7.742 -3.223 1.00 0.00 O ATOM 76 CG2 THR A 5 4.618 8.584 -2.943 1.00 0.00 C ATOM 0 H THR A 5 4.681 9.913 -0.852 1.00 0.00 H new ATOM 0 HA THR A 5 1.869 9.014 -0.887 1.00 0.00 H new ATOM 0 HB THR A 5 2.818 9.738 -2.989 1.00 0.00 H new ATOM 0 HG1 THR A 5 2.528 7.749 -4.190 1.00 0.00 H new ATOM 0 HG21 THR A 5 4.740 8.566 -4.026 1.00 0.00 H new ATOM 0 HG22 THR A 5 5.198 9.407 -2.526 1.00 0.00 H new ATOM 0 HG23 THR A 5 4.971 7.642 -2.522 1.00 0.00 H new ATOM 84 N TYR A 6 3.335 6.396 -1.195 1.00 0.00 N ATOM 85 CA TYR A 6 3.618 5.051 -0.696 1.00 0.00 C ATOM 86 C TYR A 6 4.875 5.013 0.178 1.00 0.00 C ATOM 87 O TYR A 6 5.743 5.888 0.095 1.00 0.00 O ATOM 88 CB TYR A 6 3.780 4.079 -1.873 1.00 0.00 C ATOM 89 CG TYR A 6 4.933 4.420 -2.797 1.00 0.00 C ATOM 90 CD1 TYR A 6 6.229 4.015 -2.499 1.00 0.00 C ATOM 91 CD2 TYR A 6 4.730 5.146 -3.965 1.00 0.00 C ATOM 92 CE1 TYR A 6 7.284 4.327 -3.329 1.00 0.00 C ATOM 93 CE2 TYR A 6 5.785 5.461 -4.803 1.00 0.00 C ATOM 94 CZ TYR A 6 7.058 5.047 -4.481 1.00 0.00 C ATOM 95 OH TYR A 6 8.114 5.355 -5.311 1.00 0.00 O ATOM 0 H TYR A 6 3.212 6.443 -2.206 1.00 0.00 H new ATOM 0 HA TYR A 6 2.773 4.749 -0.077 1.00 0.00 H new ATOM 0 HB2 TYR A 6 3.926 3.072 -1.482 1.00 0.00 H new ATOM 0 HB3 TYR A 6 2.856 4.066 -2.451 1.00 0.00 H new ATOM 0 HD1 TYR A 6 6.413 3.445 -1.600 1.00 0.00 H new ATOM 0 HD2 TYR A 6 3.732 5.470 -4.223 1.00 0.00 H new ATOM 0 HE1 TYR A 6 8.285 4.008 -3.077 1.00 0.00 H new ATOM 0 HE2 TYR A 6 5.611 6.029 -5.705 1.00 0.00 H new ATOM 0 HH TYR A 6 7.787 5.865 -6.081 1.00 0.00 H new ATOM 105 N SER A 7 4.963 3.992 1.012 1.00 0.00 N ATOM 106 CA SER A 7 6.120 3.793 1.868 1.00 0.00 C ATOM 107 C SER A 7 6.903 2.563 1.416 1.00 0.00 C ATOM 108 O SER A 7 6.372 1.716 0.689 1.00 0.00 O ATOM 109 CB SER A 7 5.671 3.614 3.320 1.00 0.00 C ATOM 110 OG SER A 7 4.794 4.655 3.720 1.00 0.00 O ATOM 0 H SER A 7 4.239 3.281 1.115 1.00 0.00 H new ATOM 0 HA SER A 7 6.764 4.670 1.797 1.00 0.00 H new ATOM 0 HB2 SER A 7 5.172 2.652 3.433 1.00 0.00 H new ATOM 0 HB3 SER A 7 6.543 3.599 3.974 1.00 0.00 H new ATOM 0 HG SER A 7 4.522 4.514 4.651 1.00 0.00 H new ATOM 116 N GLU A 8 8.158 2.460 1.843 1.00 0.00 N ATOM 117 CA GLU A 8 8.960 1.276 1.560 1.00 0.00 C ATOM 118 C GLU A 8 8.333 0.061 2.233 1.00 0.00 C ATOM 119 O GLU A 8 8.337 -1.041 1.684 1.00 0.00 O ATOM 120 CB GLU A 8 10.403 1.460 2.040 1.00 0.00 C ATOM 121 CG GLU A 8 11.139 2.591 1.341 1.00 0.00 C ATOM 122 CD GLU A 8 12.626 2.602 1.648 1.00 0.00 C ATOM 123 OE1 GLU A 8 13.371 1.824 1.016 1.00 0.00 O ATOM 124 OE2 GLU A 8 13.060 3.394 2.512 1.00 0.00 O ATOM 0 H GLU A 8 8.639 3.179 2.384 1.00 0.00 H new ATOM 0 HA GLU A 8 8.982 1.123 0.481 1.00 0.00 H new ATOM 0 HB2 GLU A 8 10.398 1.650 3.113 1.00 0.00 H new ATOM 0 HB3 GLU A 8 10.950 0.530 1.883 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.995 2.501 0.264 1.00 0.00 H new ATOM 0 HG3 GLU A 8 10.703 3.543 1.643 1.00 0.00 H new ATOM 131 N GLU A 9 7.768 0.290 3.415 1.00 0.00 N ATOM 132 CA GLU A 9 7.056 -0.741 4.157 1.00 0.00 C ATOM 133 C GLU A 9 5.893 -1.287 3.332 1.00 0.00 C ATOM 134 O GLU A 9 5.625 -2.484 3.335 1.00 0.00 O ATOM 135 CB GLU A 9 6.528 -0.151 5.466 1.00 0.00 C ATOM 136 CG GLU A 9 5.879 -1.169 6.391 1.00 0.00 C ATOM 137 CD GLU A 9 5.208 -0.518 7.585 1.00 0.00 C ATOM 138 OE1 GLU A 9 4.026 -0.123 7.468 1.00 0.00 O ATOM 139 OE2 GLU A 9 5.860 -0.388 8.646 1.00 0.00 O ATOM 0 H GLU A 9 7.792 1.196 3.884 1.00 0.00 H new ATOM 0 HA GLU A 9 7.743 -1.559 4.373 1.00 0.00 H new ATOM 0 HB2 GLU A 9 7.352 0.329 5.994 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.801 0.628 5.234 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.141 -1.745 5.833 1.00 0.00 H new ATOM 0 HG3 GLU A 9 6.635 -1.872 6.741 1.00 0.00 H new ATOM 146 N PHE A 10 5.223 -0.397 2.611 1.00 0.00 N ATOM 147 CA PHE A 10 4.064 -0.772 1.801 1.00 0.00 C ATOM 148 C PHE A 10 4.483 -1.665 0.632 1.00 0.00 C ATOM 149 O PHE A 10 3.879 -2.707 0.386 1.00 0.00 O ATOM 150 CB PHE A 10 3.345 0.483 1.288 1.00 0.00 C ATOM 151 CG PHE A 10 2.072 0.196 0.542 1.00 0.00 C ATOM 152 CD1 PHE A 10 0.892 -0.045 1.227 1.00 0.00 C ATOM 153 CD2 PHE A 10 2.054 0.170 -0.843 1.00 0.00 C ATOM 154 CE1 PHE A 10 -0.281 -0.304 0.545 1.00 0.00 C ATOM 155 CE2 PHE A 10 0.885 -0.089 -1.530 1.00 0.00 C ATOM 156 CZ PHE A 10 -0.284 -0.329 -0.837 1.00 0.00 C ATOM 0 H PHE A 10 5.461 0.594 2.569 1.00 0.00 H new ATOM 0 HA PHE A 10 3.375 -1.337 2.429 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.120 1.132 2.134 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.021 1.035 0.634 1.00 0.00 H new ATOM 0 HD1 PHE A 10 0.889 -0.030 2.307 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.966 0.355 -1.392 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -1.195 -0.487 1.091 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.885 -0.104 -2.610 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.199 -0.536 -1.373 1.00 0.00 H new ATOM 166 N LYS A 11 5.524 -1.251 -0.082 1.00 0.00 N ATOM 167 CA LYS A 11 6.061 -2.036 -1.188 1.00 0.00 C ATOM 168 C LYS A 11 6.587 -3.378 -0.687 1.00 0.00 C ATOM 169 O LYS A 11 6.521 -4.388 -1.388 1.00 0.00 O ATOM 170 CB LYS A 11 7.176 -1.255 -1.889 1.00 0.00 C ATOM 171 CG LYS A 11 6.714 0.079 -2.456 1.00 0.00 C ATOM 172 CD LYS A 11 7.782 0.725 -3.328 1.00 0.00 C ATOM 173 CE LYS A 11 8.924 1.290 -2.513 1.00 0.00 C ATOM 174 NZ LYS A 11 10.017 1.814 -3.373 1.00 0.00 N ATOM 0 H LYS A 11 6.015 -0.373 0.086 1.00 0.00 H new ATOM 0 HA LYS A 11 5.260 -2.228 -1.902 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.987 -1.080 -1.182 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.583 -1.863 -2.697 1.00 0.00 H new ATOM 0 HG2 LYS A 11 5.808 -0.070 -3.043 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.457 0.752 -1.638 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.170 -0.013 -4.030 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.332 1.522 -3.920 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.551 2.090 -1.873 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.319 0.515 -1.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 10.441 2.651 -2.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 10.744 1.081 -3.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 9.632 2.078 -4.302 1.00 0.00 H new ATOM 188 N ARG A 12 7.090 -3.378 0.537 1.00 0.00 N ATOM 189 CA ARG A 12 7.588 -4.589 1.167 1.00 0.00 C ATOM 190 C ARG A 12 6.419 -5.509 1.518 1.00 0.00 C ATOM 191 O ARG A 12 6.481 -6.723 1.326 1.00 0.00 O ATOM 192 CB ARG A 12 8.358 -4.216 2.431 1.00 0.00 C ATOM 193 CG ARG A 12 9.387 -5.240 2.862 1.00 0.00 C ATOM 194 CD ARG A 12 10.009 -4.835 4.185 1.00 0.00 C ATOM 195 NE ARG A 12 11.283 -5.503 4.431 1.00 0.00 N ATOM 196 CZ ARG A 12 11.593 -6.114 5.572 1.00 0.00 C ATOM 197 NH1 ARG A 12 10.675 -6.289 6.514 1.00 0.00 N ATOM 198 NH2 ARG A 12 12.818 -6.580 5.766 1.00 0.00 N ATOM 0 H ARG A 12 7.164 -2.543 1.119 1.00 0.00 H new ATOM 0 HA ARG A 12 8.252 -5.113 0.480 1.00 0.00 H new ATOM 0 HB2 ARG A 12 8.859 -3.262 2.268 1.00 0.00 H new ATOM 0 HB3 ARG A 12 7.647 -4.068 3.244 1.00 0.00 H new ATOM 0 HG2 ARG A 12 8.918 -6.219 2.957 1.00 0.00 H new ATOM 0 HG3 ARG A 12 10.162 -5.330 2.100 1.00 0.00 H new ATOM 0 HD2 ARG A 12 10.160 -3.756 4.196 1.00 0.00 H new ATOM 0 HD3 ARG A 12 9.318 -5.069 4.995 1.00 0.00 H new ATOM 0 HE ARG A 12 11.977 -5.502 3.684 1.00 0.00 H new ATOM 0 HH11 ARG A 12 9.723 -5.954 6.367 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.921 -6.758 7.385 1.00 0.00 H new ATOM 0 HH21 ARG A 12 13.526 -6.471 5.040 1.00 0.00 H new ATOM 0 HH22 ARG A 12 13.053 -7.048 6.641 1.00 0.00 H new ATOM 212 N ASP A 13 5.349 -4.904 2.028 1.00 0.00 N ATOM 213 CA ASP A 13 4.141 -5.630 2.416 1.00 0.00 C ATOM 214 C ASP A 13 3.480 -6.267 1.198 1.00 0.00 C ATOM 215 O ASP A 13 2.960 -7.380 1.270 1.00 0.00 O ATOM 216 CB ASP A 13 3.164 -4.678 3.114 1.00 0.00 C ATOM 217 CG ASP A 13 1.997 -5.394 3.761 1.00 0.00 C ATOM 218 OD1 ASP A 13 2.130 -5.808 4.931 1.00 0.00 O ATOM 219 OD2 ASP A 13 0.933 -5.521 3.118 1.00 0.00 O ATOM 0 H ASP A 13 5.294 -3.898 2.184 1.00 0.00 H new ATOM 0 HA ASP A 13 4.419 -6.426 3.107 1.00 0.00 H new ATOM 0 HB2 ASP A 13 3.700 -4.110 3.874 1.00 0.00 H new ATOM 0 HB3 ASP A 13 2.784 -3.960 2.387 1.00 0.00 H new ATOM 224 N ALA A 14 3.523 -5.556 0.076 1.00 0.00 N ATOM 225 CA ALA A 14 2.979 -6.057 -1.178 1.00 0.00 C ATOM 226 C ALA A 14 3.658 -7.357 -1.585 1.00 0.00 C ATOM 227 O ALA A 14 3.023 -8.262 -2.130 1.00 0.00 O ATOM 228 CB ALA A 14 3.135 -5.012 -2.270 1.00 0.00 C ATOM 0 H ALA A 14 3.933 -4.624 0.011 1.00 0.00 H new ATOM 0 HA ALA A 14 1.918 -6.261 -1.035 1.00 0.00 H new ATOM 0 HB1 ALA A 14 2.725 -5.397 -3.204 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.600 -4.106 -1.985 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.192 -4.782 -2.406 1.00 0.00 H new ATOM 234 N VAL A 15 4.954 -7.449 -1.312 1.00 0.00 N ATOM 235 CA VAL A 15 5.701 -8.669 -1.592 1.00 0.00 C ATOM 236 C VAL A 15 5.213 -9.813 -0.704 1.00 0.00 C ATOM 237 O VAL A 15 5.027 -10.940 -1.168 1.00 0.00 O ATOM 238 CB VAL A 15 7.218 -8.474 -1.382 1.00 0.00 C ATOM 239 CG1 VAL A 15 7.988 -9.727 -1.777 1.00 0.00 C ATOM 240 CG2 VAL A 15 7.718 -7.275 -2.167 1.00 0.00 C ATOM 0 H VAL A 15 5.507 -6.698 -0.899 1.00 0.00 H new ATOM 0 HA VAL A 15 5.527 -8.916 -2.639 1.00 0.00 H new ATOM 0 HB VAL A 15 7.389 -8.289 -0.322 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.054 -9.564 -1.620 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.655 -10.566 -1.166 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.806 -9.949 -2.829 1.00 0.00 H new ATOM 0 HG21 VAL A 15 8.789 -7.155 -2.005 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.526 -7.430 -3.229 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.198 -6.378 -1.831 1.00 0.00 H new ATOM 250 N ALA A 16 4.991 -9.505 0.571 1.00 0.00 N ATOM 251 CA ALA A 16 4.508 -10.492 1.534 1.00 0.00 C ATOM 252 C ALA A 16 3.098 -10.953 1.174 1.00 0.00 C ATOM 253 O ALA A 16 2.744 -12.118 1.356 1.00 0.00 O ATOM 254 CB ALA A 16 4.542 -9.908 2.941 1.00 0.00 C ATOM 0 H ALA A 16 5.139 -8.575 0.963 1.00 0.00 H new ATOM 0 HA ALA A 16 5.164 -11.362 1.501 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.180 -10.651 3.652 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.565 -9.630 3.195 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.905 -9.024 2.984 1.00 0.00 H new ATOM 260 N LEU A 17 2.303 -10.035 0.654 1.00 0.00 N ATOM 261 CA LEU A 17 0.959 -10.351 0.209 1.00 0.00 C ATOM 262 C LEU A 17 1.010 -11.300 -0.984 1.00 0.00 C ATOM 263 O LEU A 17 0.269 -12.278 -1.041 1.00 0.00 O ATOM 264 CB LEU A 17 0.215 -9.066 -0.165 1.00 0.00 C ATOM 265 CG LEU A 17 -1.244 -9.252 -0.596 1.00 0.00 C ATOM 266 CD1 LEU A 17 -2.056 -9.917 0.505 1.00 0.00 C ATOM 267 CD2 LEU A 17 -1.855 -7.912 -0.977 1.00 0.00 C ATOM 0 H LEU A 17 2.568 -9.058 0.529 1.00 0.00 H new ATOM 0 HA LEU A 17 0.424 -10.842 1.022 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.240 -8.390 0.690 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.756 -8.576 -0.975 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.263 -9.905 -1.468 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.088 -10.038 0.174 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.631 -10.895 0.731 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.032 -9.296 1.400 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.891 -8.058 -1.281 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.820 -7.239 -0.120 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.292 -7.477 -1.803 1.00 0.00 H new ATOM 279 N TYR A 18 1.905 -11.010 -1.925 1.00 0.00 N ATOM 280 CA TYR A 18 2.047 -11.826 -3.128 1.00 0.00 C ATOM 281 C TYR A 18 2.544 -13.238 -2.812 1.00 0.00 C ATOM 282 O TYR A 18 2.048 -14.213 -3.377 1.00 0.00 O ATOM 283 CB TYR A 18 3.005 -11.170 -4.123 1.00 0.00 C ATOM 284 CG TYR A 18 3.441 -12.107 -5.227 1.00 0.00 C ATOM 285 CD1 TYR A 18 2.586 -12.435 -6.270 1.00 0.00 C ATOM 286 CD2 TYR A 18 4.710 -12.673 -5.217 1.00 0.00 C ATOM 287 CE1 TYR A 18 2.982 -13.305 -7.268 1.00 0.00 C ATOM 288 CE2 TYR A 18 5.112 -13.541 -6.210 1.00 0.00 C ATOM 289 CZ TYR A 18 4.248 -13.850 -7.235 1.00 0.00 C ATOM 290 OH TYR A 18 4.648 -14.715 -8.228 1.00 0.00 O ATOM 0 H TYR A 18 2.543 -10.216 -1.878 1.00 0.00 H new ATOM 0 HA TYR A 18 1.053 -11.901 -3.570 1.00 0.00 H new ATOM 0 HB2 TYR A 18 2.522 -10.298 -4.564 1.00 0.00 H new ATOM 0 HB3 TYR A 18 3.885 -10.811 -3.589 1.00 0.00 H new ATOM 0 HD1 TYR A 18 1.596 -12.004 -6.302 1.00 0.00 H new ATOM 0 HD2 TYR A 18 5.394 -12.429 -4.417 1.00 0.00 H new ATOM 0 HE1 TYR A 18 2.303 -13.557 -8.070 1.00 0.00 H new ATOM 0 HE2 TYR A 18 6.100 -13.976 -6.183 1.00 0.00 H new ATOM 0 HH TYR A 18 5.567 -15.007 -8.056 1.00 0.00 H new ATOM 300 N GLU A 19 3.532 -13.349 -1.921 1.00 0.00 N ATOM 301 CA GLU A 19 4.125 -14.651 -1.609 1.00 0.00 C ATOM 302 C GLU A 19 3.102 -15.570 -0.951 1.00 0.00 C ATOM 303 O GLU A 19 3.288 -16.784 -0.895 1.00 0.00 O ATOM 304 CB GLU A 19 5.361 -14.507 -0.719 1.00 0.00 C ATOM 305 CG GLU A 19 5.077 -13.933 0.654 1.00 0.00 C ATOM 306 CD GLU A 19 6.276 -14.019 1.563 1.00 0.00 C ATOM 307 OE1 GLU A 19 7.224 -13.231 1.378 1.00 0.00 O ATOM 308 OE2 GLU A 19 6.286 -14.890 2.454 1.00 0.00 O ATOM 0 H GLU A 19 3.934 -12.564 -1.409 1.00 0.00 H new ATOM 0 HA GLU A 19 4.441 -15.099 -2.551 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.826 -15.486 -0.602 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.086 -13.868 -1.224 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.772 -12.891 0.555 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.242 -14.469 1.105 1.00 0.00 H new ATOM 315 N ASN A 20 2.029 -14.978 -0.446 1.00 0.00 N ATOM 316 CA ASN A 20 0.901 -15.737 0.089 1.00 0.00 C ATOM 317 C ASN A 20 -0.015 -16.171 -1.054 1.00 0.00 C ATOM 318 O ASN A 20 -1.239 -16.219 -0.915 1.00 0.00 O ATOM 319 CB ASN A 20 0.121 -14.893 1.107 1.00 0.00 C ATOM 320 CG ASN A 20 0.821 -14.765 2.455 1.00 0.00 C ATOM 321 OD1 ASN A 20 2.146 -14.788 2.455 1.00 0.00 O flip ATOM 322 ND2 ASN A 20 0.168 -14.647 3.493 1.00 0.00 N flip ATOM 0 H ASN A 20 1.913 -13.966 -0.394 1.00 0.00 H new ATOM 0 HA ASN A 20 1.280 -16.623 0.598 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -0.040 -13.897 0.694 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -0.863 -15.338 1.258 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -0.851 -14.633 3.456 1.00 0.00 H new ATOM 0 HD22 ASN A 20 0.647 -14.563 4.390 1.00 0.00 H new ATOM 329 N SER A 21 0.607 -16.532 -2.172 1.00 0.00 N ATOM 330 CA SER A 21 -0.093 -16.877 -3.404 1.00 0.00 C ATOM 331 C SER A 21 -0.929 -18.141 -3.247 1.00 0.00 C ATOM 332 O SER A 21 -1.761 -18.463 -4.101 1.00 0.00 O ATOM 333 CB SER A 21 0.922 -17.045 -4.530 1.00 0.00 C ATOM 334 OG SER A 21 1.939 -17.966 -4.165 1.00 0.00 O ATOM 0 H SER A 21 1.622 -16.594 -2.249 1.00 0.00 H new ATOM 0 HA SER A 21 -0.781 -16.067 -3.646 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.417 -17.394 -5.431 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.369 -16.080 -4.769 1.00 0.00 H new ATOM 0 HG SER A 21 2.577 -18.058 -4.903 1.00 0.00 H new ATOM 340 N ASP A 22 -0.687 -18.867 -2.162 1.00 0.00 N ATOM 341 CA ASP A 22 -1.493 -20.039 -1.818 1.00 0.00 C ATOM 342 C ASP A 22 -2.977 -19.679 -1.804 1.00 0.00 C ATOM 343 O ASP A 22 -3.843 -20.526 -2.039 1.00 0.00 O ATOM 344 CB ASP A 22 -1.076 -20.592 -0.456 1.00 0.00 C ATOM 345 CG ASP A 22 -1.942 -21.750 -0.006 1.00 0.00 C ATOM 346 OD1 ASP A 22 -1.826 -22.846 -0.586 1.00 0.00 O ATOM 347 OD2 ASP A 22 -2.751 -21.568 0.928 1.00 0.00 O ATOM 0 H ASP A 22 0.063 -18.666 -1.501 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.325 -20.806 -2.574 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.037 -20.918 -0.503 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.127 -19.795 0.286 1.00 0.00 H new ATOM 352 N GLY A 23 -3.259 -18.414 -1.531 1.00 0.00 N ATOM 353 CA GLY A 23 -4.616 -17.920 -1.586 1.00 0.00 C ATOM 354 C GLY A 23 -4.687 -16.550 -2.225 1.00 0.00 C ATOM 355 O GLY A 23 -5.427 -15.681 -1.761 1.00 0.00 O ATOM 0 H GLY A 23 -2.563 -17.716 -1.270 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.235 -18.618 -2.151 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -5.027 -17.873 -0.578 1.00 0.00 H new ATOM 359 N ALA A 24 -3.922 -16.361 -3.297 1.00 0.00 N ATOM 360 CA ALA A 24 -3.849 -15.077 -3.969 1.00 0.00 C ATOM 361 C ALA A 24 -3.278 -15.230 -5.374 1.00 0.00 C ATOM 362 O ALA A 24 -2.335 -15.987 -5.593 1.00 0.00 O ATOM 363 CB ALA A 24 -3.006 -14.108 -3.161 1.00 0.00 C ATOM 0 H ALA A 24 -3.343 -17.088 -3.717 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.860 -14.679 -4.054 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.960 -13.149 -3.677 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.453 -13.970 -2.177 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.999 -14.509 -3.048 1.00 0.00 H new ATOM 369 N SER A 25 -3.867 -14.518 -6.315 1.00 0.00 N ATOM 370 CA SER A 25 -3.394 -14.510 -7.692 1.00 0.00 C ATOM 371 C SER A 25 -2.500 -13.291 -7.925 1.00 0.00 C ATOM 372 O SER A 25 -2.665 -12.266 -7.265 1.00 0.00 O ATOM 373 CB SER A 25 -4.587 -14.493 -8.656 1.00 0.00 C ATOM 374 OG SER A 25 -4.162 -14.494 -10.008 1.00 0.00 O ATOM 0 H SER A 25 -4.684 -13.930 -6.151 1.00 0.00 H new ATOM 0 HA SER A 25 -2.811 -15.412 -7.877 1.00 0.00 H new ATOM 0 HB2 SER A 25 -5.218 -15.362 -8.471 1.00 0.00 H new ATOM 0 HB3 SER A 25 -5.197 -13.610 -8.466 1.00 0.00 H new ATOM 0 HG SER A 25 -4.945 -14.485 -10.597 1.00 0.00 H new ATOM 380 N LEU A 26 -1.565 -13.399 -8.867 1.00 0.00 N ATOM 381 CA LEU A 26 -0.631 -12.309 -9.155 1.00 0.00 C ATOM 382 C LEU A 26 -1.393 -11.075 -9.643 1.00 0.00 C ATOM 383 O LEU A 26 -1.218 -9.972 -9.116 1.00 0.00 O ATOM 384 CB LEU A 26 0.391 -12.765 -10.210 1.00 0.00 C ATOM 385 CG LEU A 26 1.762 -12.069 -10.175 1.00 0.00 C ATOM 386 CD1 LEU A 26 2.713 -12.730 -11.159 1.00 0.00 C ATOM 387 CD2 LEU A 26 1.650 -10.585 -10.476 1.00 0.00 C ATOM 0 H LEU A 26 -1.433 -14.229 -9.444 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.098 -12.044 -8.242 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.548 -13.837 -10.093 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.045 -12.613 -11.197 1.00 0.00 H new ATOM 0 HG LEU A 26 2.157 -12.174 -9.164 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.680 -12.228 -11.124 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.840 -13.780 -10.893 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.303 -12.658 -12.166 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.640 -10.131 -10.441 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.222 -10.446 -11.469 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.007 -10.111 -9.734 1.00 0.00 H new ATOM 399 N GLN A 27 -2.247 -11.273 -10.646 1.00 0.00 N ATOM 400 CA GLN A 27 -3.079 -10.199 -11.178 1.00 0.00 C ATOM 401 C GLN A 27 -3.957 -9.621 -10.072 1.00 0.00 C ATOM 402 O GLN A 27 -4.134 -8.410 -9.978 1.00 0.00 O ATOM 403 CB GLN A 27 -3.961 -10.721 -12.319 1.00 0.00 C ATOM 404 CG GLN A 27 -4.712 -9.628 -13.067 1.00 0.00 C ATOM 405 CD GLN A 27 -3.805 -8.787 -13.940 1.00 0.00 C ATOM 406 OE1 GLN A 27 -2.792 -9.266 -14.450 1.00 0.00 O ATOM 407 NE2 GLN A 27 -4.163 -7.530 -14.124 1.00 0.00 N ATOM 0 H GLN A 27 -2.380 -12.173 -11.107 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.428 -9.416 -11.566 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -3.338 -11.269 -13.026 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -4.682 -11.431 -11.913 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -5.485 -10.083 -13.686 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -5.217 -8.983 -12.348 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -5.010 -7.171 -13.683 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -3.593 -6.917 -14.707 1.00 0.00 H new ATOM 416 N GLN A 28 -4.469 -10.508 -9.222 1.00 0.00 N ATOM 417 CA GLN A 28 -5.355 -10.130 -8.126 1.00 0.00 C ATOM 418 C GLN A 28 -4.678 -9.127 -7.192 1.00 0.00 C ATOM 419 O GLN A 28 -5.292 -8.144 -6.779 1.00 0.00 O ATOM 420 CB GLN A 28 -5.760 -11.388 -7.352 1.00 0.00 C ATOM 421 CG GLN A 28 -6.742 -11.156 -6.215 1.00 0.00 C ATOM 422 CD GLN A 28 -7.012 -12.430 -5.437 1.00 0.00 C ATOM 423 OE1 GLN A 28 -6.142 -13.295 -5.329 1.00 0.00 O ATOM 424 NE2 GLN A 28 -8.211 -12.564 -4.900 1.00 0.00 N ATOM 0 H GLN A 28 -4.281 -11.509 -9.274 1.00 0.00 H new ATOM 0 HA GLN A 28 -6.243 -9.651 -8.539 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.198 -12.100 -8.051 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.861 -11.852 -6.946 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -6.346 -10.396 -5.542 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -7.679 -10.770 -6.617 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -8.905 -11.825 -5.011 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -8.443 -13.406 -4.374 1.00 0.00 H new ATOM 433 N ILE A 29 -3.406 -9.369 -6.880 1.00 0.00 N ATOM 434 CA ILE A 29 -2.651 -8.488 -5.995 1.00 0.00 C ATOM 435 C ILE A 29 -2.484 -7.108 -6.625 1.00 0.00 C ATOM 436 O ILE A 29 -2.831 -6.095 -6.020 1.00 0.00 O ATOM 437 CB ILE A 29 -1.252 -9.060 -5.666 1.00 0.00 C ATOM 438 CG1 ILE A 29 -1.363 -10.476 -5.095 1.00 0.00 C ATOM 439 CG2 ILE A 29 -0.518 -8.153 -4.686 1.00 0.00 C ATOM 440 CD1 ILE A 29 -2.166 -10.566 -3.817 1.00 0.00 C ATOM 0 H ILE A 29 -2.877 -10.169 -7.228 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.221 -8.408 -5.069 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.681 -9.106 -6.593 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.819 -11.123 -5.844 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.360 -10.861 -4.909 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.464 -8.573 -4.467 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.400 -7.163 -5.126 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -1.093 -8.074 -3.763 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.196 -11.602 -3.479 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.700 -9.947 -3.050 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.181 -10.214 -4.000 1.00 0.00 H new ATOM 452 N ALA A 30 -1.969 -7.083 -7.851 1.00 0.00 N ATOM 453 CA ALA A 30 -1.730 -5.828 -8.557 1.00 0.00 C ATOM 454 C ALA A 30 -3.028 -5.055 -8.756 1.00 0.00 C ATOM 455 O ALA A 30 -3.069 -3.835 -8.600 1.00 0.00 O ATOM 456 CB ALA A 30 -1.067 -6.092 -9.899 1.00 0.00 C ATOM 0 H ALA A 30 -1.709 -7.918 -8.376 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.062 -5.221 -7.946 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.896 -5.146 -10.413 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.114 -6.597 -9.741 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.715 -6.723 -10.507 1.00 0.00 H new ATOM 462 N ASN A 31 -4.081 -5.784 -9.091 1.00 0.00 N ATOM 463 CA ASN A 31 -5.397 -5.202 -9.321 1.00 0.00 C ATOM 464 C ASN A 31 -5.937 -4.573 -8.040 1.00 0.00 C ATOM 465 O ASN A 31 -6.403 -3.433 -8.043 1.00 0.00 O ATOM 466 CB ASN A 31 -6.359 -6.289 -9.808 1.00 0.00 C ATOM 467 CG ASN A 31 -7.600 -5.742 -10.488 1.00 0.00 C ATOM 468 OD1 ASN A 31 -8.059 -4.638 -10.193 1.00 0.00 O ATOM 469 ND2 ASN A 31 -8.159 -6.527 -11.400 1.00 0.00 N ATOM 0 H ASN A 31 -4.049 -6.796 -9.212 1.00 0.00 H new ATOM 0 HA ASN A 31 -5.309 -4.424 -10.079 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -5.833 -6.943 -10.503 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -6.661 -6.902 -8.959 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -9.002 -6.223 -11.887 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -7.746 -7.435 -11.614 1.00 0.00 H new ATOM 476 N ASP A 32 -5.840 -5.317 -6.944 1.00 0.00 N ATOM 477 CA ASP A 32 -6.391 -4.888 -5.662 1.00 0.00 C ATOM 478 C ASP A 32 -5.673 -3.655 -5.128 1.00 0.00 C ATOM 479 O ASP A 32 -6.304 -2.753 -4.574 1.00 0.00 O ATOM 480 CB ASP A 32 -6.300 -6.022 -4.641 1.00 0.00 C ATOM 481 CG ASP A 32 -6.965 -5.669 -3.327 1.00 0.00 C ATOM 482 OD1 ASP A 32 -8.202 -5.495 -3.309 1.00 0.00 O ATOM 483 OD2 ASP A 32 -6.263 -5.596 -2.300 1.00 0.00 O ATOM 0 H ASP A 32 -5.381 -6.228 -6.917 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.437 -4.627 -5.824 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.767 -6.917 -5.053 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.252 -6.263 -4.462 1.00 0.00 H new ATOM 488 N LEU A 33 -4.356 -3.616 -5.292 1.00 0.00 N ATOM 489 CA LEU A 33 -3.570 -2.466 -4.854 1.00 0.00 C ATOM 490 C LEU A 33 -3.825 -1.262 -5.750 1.00 0.00 C ATOM 491 O LEU A 33 -3.839 -0.119 -5.289 1.00 0.00 O ATOM 492 CB LEU A 33 -2.075 -2.803 -4.833 1.00 0.00 C ATOM 493 CG LEU A 33 -1.547 -3.412 -3.527 1.00 0.00 C ATOM 494 CD1 LEU A 33 -2.234 -4.735 -3.216 1.00 0.00 C ATOM 495 CD2 LEU A 33 -0.040 -3.601 -3.605 1.00 0.00 C ATOM 0 H LEU A 33 -3.811 -4.363 -5.723 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.882 -2.215 -3.840 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.867 -3.498 -5.646 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.513 -1.892 -5.040 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.774 -2.720 -2.716 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.838 -5.141 -2.285 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.307 -4.573 -3.114 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.050 -5.440 -4.026 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.321 -4.034 -2.672 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.201 -4.269 -4.432 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.440 -2.636 -3.767 1.00 0.00 H new ATOM 507 N GLY A 34 -4.046 -1.528 -7.029 1.00 0.00 N ATOM 508 CA GLY A 34 -4.305 -0.464 -7.980 1.00 0.00 C ATOM 509 C GLY A 34 -3.059 -0.049 -8.733 1.00 0.00 C ATOM 510 O GLY A 34 -2.875 1.126 -9.050 1.00 0.00 O ATOM 0 H GLY A 34 -4.051 -2.467 -7.428 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.064 -0.792 -8.691 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.713 0.399 -7.454 1.00 0.00 H new ATOM 514 N ILE A 35 -2.199 -1.017 -9.017 1.00 0.00 N ATOM 515 CA ILE A 35 -0.952 -0.757 -9.719 1.00 0.00 C ATOM 516 C ILE A 35 -0.813 -1.686 -10.916 1.00 0.00 C ATOM 517 O ILE A 35 -1.664 -2.549 -11.143 1.00 0.00 O ATOM 518 CB ILE A 35 0.269 -0.941 -8.797 1.00 0.00 C ATOM 519 CG1 ILE A 35 0.248 -2.333 -8.153 1.00 0.00 C ATOM 520 CG2 ILE A 35 0.314 0.152 -7.736 1.00 0.00 C ATOM 521 CD1 ILE A 35 1.438 -2.604 -7.259 1.00 0.00 C ATOM 0 H ILE A 35 -2.345 -1.996 -8.770 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.982 0.280 -10.055 1.00 0.00 H new ATOM 0 HB ILE A 35 1.173 -0.858 -9.400 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.666 -2.441 -7.569 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.215 -3.087 -8.939 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.184 0.003 -7.096 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.383 1.126 -8.220 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.592 0.110 -7.132 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.356 -3.606 -6.838 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.356 -2.529 -7.842 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.461 -1.872 -6.451 1.00 0.00 H new ATOM 533 N ASN A 36 0.241 -1.495 -11.695 1.00 0.00 N ATOM 534 CA ASN A 36 0.519 -2.360 -12.821 1.00 0.00 C ATOM 535 C ASN A 36 1.135 -3.667 -12.344 1.00 0.00 C ATOM 536 O ASN A 36 1.908 -3.682 -11.382 1.00 0.00 O ATOM 537 CB ASN A 36 1.458 -1.665 -13.803 1.00 0.00 C ATOM 538 CG ASN A 36 1.583 -2.427 -15.102 1.00 0.00 C ATOM 539 OD1 ASN A 36 2.461 -3.270 -15.261 1.00 0.00 O ATOM 540 ND2 ASN A 36 0.689 -2.150 -16.030 1.00 0.00 N ATOM 0 H ASN A 36 0.918 -0.744 -11.563 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.420 -2.580 -13.329 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.090 -0.659 -14.007 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.443 -1.558 -13.349 1.00 0.00 H new ATOM 0 HD21 ASN A 36 0.710 -2.644 -16.922 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -0.024 -1.442 -15.856 1.00 0.00 H new ATOM 547 N ARG A 37 0.790 -4.751 -13.023 1.00 0.00 N ATOM 548 CA ARG A 37 1.281 -6.081 -12.677 1.00 0.00 C ATOM 549 C ARG A 37 2.806 -6.134 -12.760 1.00 0.00 C ATOM 550 O ARG A 37 3.459 -6.802 -11.958 1.00 0.00 O ATOM 551 CB ARG A 37 0.663 -7.128 -13.611 1.00 0.00 C ATOM 552 CG ARG A 37 0.929 -8.564 -13.186 1.00 0.00 C ATOM 553 CD ARG A 37 0.293 -9.557 -14.145 1.00 0.00 C ATOM 554 NE ARG A 37 0.907 -9.503 -15.470 1.00 0.00 N ATOM 555 CZ ARG A 37 0.224 -9.470 -16.614 1.00 0.00 C ATOM 556 NH1 ARG A 37 -1.107 -9.464 -16.608 1.00 0.00 N ATOM 557 NH2 ARG A 37 0.880 -9.431 -17.766 1.00 0.00 N ATOM 0 H ARG A 37 0.163 -4.736 -13.828 1.00 0.00 H new ATOM 0 HA ARG A 37 0.987 -6.302 -11.651 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -0.414 -6.967 -13.660 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.053 -6.979 -14.618 1.00 0.00 H new ATOM 0 HG2 ARG A 37 2.004 -8.738 -13.141 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.538 -8.725 -12.181 1.00 0.00 H new ATOM 0 HD2 ARG A 37 0.389 -10.565 -13.741 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.773 -9.348 -14.230 1.00 0.00 H new ATOM 0 HE ARG A 37 1.926 -9.490 -15.523 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -1.613 -9.485 -15.723 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -1.621 -9.439 -17.489 1.00 0.00 H new ATOM 0 HH21 ARG A 37 1.900 -9.426 -17.772 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.365 -9.406 -18.646 1.00 0.00 H new ATOM 571 N VAL A 38 3.365 -5.410 -13.722 1.00 0.00 N ATOM 572 CA VAL A 38 4.811 -5.356 -13.898 1.00 0.00 C ATOM 573 C VAL A 38 5.449 -4.557 -12.768 1.00 0.00 C ATOM 574 O VAL A 38 6.466 -4.962 -12.208 1.00 0.00 O ATOM 575 CB VAL A 38 5.202 -4.737 -15.258 1.00 0.00 C ATOM 576 CG1 VAL A 38 6.715 -4.734 -15.442 1.00 0.00 C ATOM 577 CG2 VAL A 38 4.531 -5.492 -16.398 1.00 0.00 C ATOM 0 H VAL A 38 2.838 -4.851 -14.393 1.00 0.00 H new ATOM 0 HA VAL A 38 5.181 -6.381 -13.877 1.00 0.00 H new ATOM 0 HB VAL A 38 4.856 -3.703 -15.271 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.963 -4.293 -16.407 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.177 -4.149 -14.646 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.088 -5.757 -15.404 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.817 -5.043 -17.349 1.00 0.00 H new ATOM 0 HG22 VAL A 38 4.847 -6.535 -16.379 1.00 0.00 H new ATOM 0 HG23 VAL A 38 3.448 -5.439 -16.282 1.00 0.00 H new ATOM 587 N THR A 39 4.832 -3.430 -12.418 1.00 0.00 N ATOM 588 CA THR A 39 5.317 -2.604 -11.317 1.00 0.00 C ATOM 589 C THR A 39 5.354 -3.407 -10.018 1.00 0.00 C ATOM 590 O THR A 39 6.305 -3.309 -9.242 1.00 0.00 O ATOM 591 CB THR A 39 4.432 -1.358 -11.129 1.00 0.00 C ATOM 592 OG1 THR A 39 4.315 -0.659 -12.375 1.00 0.00 O ATOM 593 CG2 THR A 39 5.009 -0.424 -10.077 1.00 0.00 C ATOM 0 H THR A 39 3.997 -3.070 -12.880 1.00 0.00 H new ATOM 0 HA THR A 39 6.328 -2.281 -11.567 1.00 0.00 H new ATOM 0 HB THR A 39 3.449 -1.688 -10.792 1.00 0.00 H new ATOM 0 HG1 THR A 39 3.750 0.133 -12.254 1.00 0.00 H new ATOM 0 HG21 THR A 39 4.361 0.446 -9.968 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.077 -0.948 -9.123 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.003 -0.100 -10.384 1.00 0.00 H new ATOM 601 N LEU A 40 4.319 -4.212 -9.802 1.00 0.00 N ATOM 602 CA LEU A 40 4.254 -5.090 -8.639 1.00 0.00 C ATOM 603 C LEU A 40 5.383 -6.111 -8.683 1.00 0.00 C ATOM 604 O LEU A 40 6.102 -6.302 -7.701 1.00 0.00 O ATOM 605 CB LEU A 40 2.907 -5.817 -8.597 1.00 0.00 C ATOM 606 CG LEU A 40 2.742 -6.822 -7.456 1.00 0.00 C ATOM 607 CD1 LEU A 40 2.673 -6.111 -6.113 1.00 0.00 C ATOM 608 CD2 LEU A 40 1.508 -7.680 -7.679 1.00 0.00 C ATOM 0 H LEU A 40 3.510 -4.275 -10.420 1.00 0.00 H new ATOM 0 HA LEU A 40 4.359 -4.480 -7.742 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.114 -5.073 -8.522 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.765 -6.340 -9.543 1.00 0.00 H new ATOM 0 HG LEU A 40 3.615 -7.474 -7.444 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.556 -6.847 -5.317 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.592 -5.546 -5.953 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.822 -5.430 -6.105 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.405 -8.390 -6.858 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.625 -7.043 -7.721 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.608 -8.224 -8.618 1.00 0.00 H new ATOM 620 N LYS A 41 5.535 -6.750 -9.841 1.00 0.00 N ATOM 621 CA LYS A 41 6.554 -7.775 -10.044 1.00 0.00 C ATOM 622 C LYS A 41 7.944 -7.220 -9.747 1.00 0.00 C ATOM 623 O LYS A 41 8.771 -7.884 -9.118 1.00 0.00 O ATOM 624 CB LYS A 41 6.500 -8.280 -11.486 1.00 0.00 C ATOM 625 CG LYS A 41 7.252 -9.579 -11.713 1.00 0.00 C ATOM 626 CD LYS A 41 7.270 -9.948 -13.184 1.00 0.00 C ATOM 627 CE LYS A 41 7.808 -11.352 -13.401 1.00 0.00 C ATOM 628 NZ LYS A 41 7.922 -11.683 -14.846 1.00 0.00 N ATOM 0 H LYS A 41 4.957 -6.572 -10.662 1.00 0.00 H new ATOM 0 HA LYS A 41 6.355 -8.600 -9.360 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.458 -8.421 -11.772 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.911 -7.514 -12.144 1.00 0.00 H new ATOM 0 HG2 LYS A 41 8.274 -9.480 -11.347 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.784 -10.379 -11.140 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.261 -9.878 -13.590 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.884 -9.233 -13.732 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.786 -11.443 -12.929 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.151 -12.072 -12.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.293 -12.649 -14.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.984 -11.621 -15.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.569 -11.011 -15.306 1.00 0.00 H new ATOM 642 N ASN A 42 8.182 -5.999 -10.207 1.00 0.00 N ATOM 643 CA ASN A 42 9.442 -5.304 -9.970 1.00 0.00 C ATOM 644 C ASN A 42 9.757 -5.226 -8.481 1.00 0.00 C ATOM 645 O ASN A 42 10.882 -5.508 -8.068 1.00 0.00 O ATOM 646 CB ASN A 42 9.398 -3.895 -10.569 1.00 0.00 C ATOM 647 CG ASN A 42 9.652 -3.880 -12.067 1.00 0.00 C ATOM 648 OD1 ASN A 42 9.416 -4.867 -12.765 1.00 0.00 O ATOM 649 ND2 ASN A 42 10.133 -2.754 -12.569 1.00 0.00 N ATOM 0 H ASN A 42 7.509 -5.462 -10.754 1.00 0.00 H new ATOM 0 HA ASN A 42 10.233 -5.874 -10.458 1.00 0.00 H new ATOM 0 HB2 ASN A 42 8.424 -3.450 -10.367 1.00 0.00 H new ATOM 0 HB3 ASN A 42 10.142 -3.272 -10.073 1.00 0.00 H new ATOM 0 HD21 ASN A 42 10.322 -2.681 -13.569 1.00 0.00 H new ATOM 0 HD22 ASN A 42 10.315 -1.959 -11.956 1.00 0.00 H new ATOM 656 N TRP A 43 8.760 -4.857 -7.683 1.00 0.00 N ATOM 657 CA TRP A 43 8.928 -4.776 -6.235 1.00 0.00 C ATOM 658 C TRP A 43 9.202 -6.157 -5.647 1.00 0.00 C ATOM 659 O TRP A 43 10.103 -6.323 -4.824 1.00 0.00 O ATOM 660 CB TRP A 43 7.684 -4.174 -5.572 1.00 0.00 C ATOM 661 CG TRP A 43 7.471 -2.719 -5.871 1.00 0.00 C ATOM 662 CD1 TRP A 43 8.346 -1.860 -6.477 1.00 0.00 C ATOM 663 CD2 TRP A 43 6.305 -1.948 -5.558 1.00 0.00 C ATOM 664 NE1 TRP A 43 7.795 -0.604 -6.558 1.00 0.00 N ATOM 665 CE2 TRP A 43 6.541 -0.637 -6.008 1.00 0.00 C ATOM 666 CE3 TRP A 43 5.083 -2.241 -4.947 1.00 0.00 C ATOM 667 CZ2 TRP A 43 5.602 0.381 -5.859 1.00 0.00 C ATOM 668 CZ3 TRP A 43 4.151 -1.232 -4.801 1.00 0.00 C ATOM 669 CH2 TRP A 43 4.413 0.065 -5.258 1.00 0.00 C ATOM 0 H TRP A 43 7.827 -4.609 -8.014 1.00 0.00 H new ATOM 0 HA TRP A 43 9.781 -4.127 -6.036 1.00 0.00 H new ATOM 0 HB2 TRP A 43 6.806 -4.733 -5.897 1.00 0.00 H new ATOM 0 HB3 TRP A 43 7.762 -4.304 -4.493 1.00 0.00 H new ATOM 0 HD1 TRP A 43 9.327 -2.130 -6.839 1.00 0.00 H new ATOM 0 HE1 TRP A 43 8.245 0.218 -6.961 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.871 -3.240 -4.595 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 5.805 1.384 -6.205 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 3.205 -1.447 -4.327 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.662 0.832 -5.134 1.00 0.00 H new ATOM 680 N ILE A 44 8.427 -7.143 -6.090 1.00 0.00 N ATOM 681 CA ILE A 44 8.554 -8.514 -5.602 1.00 0.00 C ATOM 682 C ILE A 44 9.978 -9.037 -5.777 1.00 0.00 C ATOM 683 O ILE A 44 10.571 -9.576 -4.844 1.00 0.00 O ATOM 684 CB ILE A 44 7.579 -9.456 -6.339 1.00 0.00 C ATOM 685 CG1 ILE A 44 6.140 -8.965 -6.175 1.00 0.00 C ATOM 686 CG2 ILE A 44 7.718 -10.881 -5.821 1.00 0.00 C ATOM 687 CD1 ILE A 44 5.150 -9.675 -7.071 1.00 0.00 C ATOM 0 H ILE A 44 7.698 -7.017 -6.792 1.00 0.00 H new ATOM 0 HA ILE A 44 8.309 -8.497 -4.540 1.00 0.00 H new ATOM 0 HB ILE A 44 7.829 -9.451 -7.400 1.00 0.00 H new ATOM 0 HG12 ILE A 44 5.836 -9.097 -5.136 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.104 -7.896 -6.384 1.00 0.00 H new ATOM 0 HG21 ILE A 44 7.023 -11.531 -6.352 1.00 0.00 H new ATOM 0 HG22 ILE A 44 8.738 -11.230 -5.985 1.00 0.00 H new ATOM 0 HG23 ILE A 44 7.493 -10.904 -4.755 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.151 -9.274 -6.899 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.428 -9.522 -8.114 1.00 0.00 H new ATOM 0 HD13 ILE A 44 5.156 -10.742 -6.847 1.00 0.00 H new ATOM 699 N ILE A 45 10.524 -8.857 -6.969 1.00 0.00 N ATOM 700 CA ILE A 45 11.861 -9.350 -7.283 1.00 0.00 C ATOM 701 C ILE A 45 12.933 -8.527 -6.565 1.00 0.00 C ATOM 702 O ILE A 45 13.976 -9.051 -6.170 1.00 0.00 O ATOM 703 CB ILE A 45 12.118 -9.305 -8.809 1.00 0.00 C ATOM 704 CG1 ILE A 45 11.047 -10.106 -9.559 1.00 0.00 C ATOM 705 CG2 ILE A 45 13.507 -9.834 -9.137 1.00 0.00 C ATOM 706 CD1 ILE A 45 11.185 -10.050 -11.065 1.00 0.00 C ATOM 0 H ILE A 45 10.063 -8.372 -7.739 1.00 0.00 H new ATOM 0 HA ILE A 45 11.918 -10.383 -6.939 1.00 0.00 H new ATOM 0 HB ILE A 45 12.062 -8.266 -9.134 1.00 0.00 H new ATOM 0 HG12 ILE A 45 11.093 -11.147 -9.238 1.00 0.00 H new ATOM 0 HG13 ILE A 45 10.063 -9.730 -9.279 1.00 0.00 H new ATOM 0 HG21 ILE A 45 13.667 -9.793 -10.214 1.00 0.00 H new ATOM 0 HG22 ILE A 45 14.257 -9.222 -8.636 1.00 0.00 H new ATOM 0 HG23 ILE A 45 13.593 -10.866 -8.796 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.392 -10.640 -11.525 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.108 -9.015 -11.399 1.00 0.00 H new ATOM 0 HD13 ILE A 45 12.154 -10.454 -11.357 1.00 0.00 H new ATOM 718 N LYS A 46 12.660 -7.242 -6.386 1.00 0.00 N ATOM 719 CA LYS A 46 13.640 -6.323 -5.829 1.00 0.00 C ATOM 720 C LYS A 46 13.743 -6.470 -4.313 1.00 0.00 C ATOM 721 O LYS A 46 14.833 -6.650 -3.771 1.00 0.00 O ATOM 722 CB LYS A 46 13.264 -4.883 -6.190 1.00 0.00 C ATOM 723 CG LYS A 46 14.351 -3.863 -5.894 1.00 0.00 C ATOM 724 CD LYS A 46 13.893 -2.459 -6.250 1.00 0.00 C ATOM 725 CE LYS A 46 15.033 -1.457 -6.195 1.00 0.00 C ATOM 726 NZ LYS A 46 16.080 -1.738 -7.215 1.00 0.00 N ATOM 0 H LYS A 46 11.765 -6.812 -6.620 1.00 0.00 H new ATOM 0 HA LYS A 46 14.613 -6.565 -6.257 1.00 0.00 H new ATOM 0 HB2 LYS A 46 13.019 -4.838 -7.251 1.00 0.00 H new ATOM 0 HB3 LYS A 46 12.363 -4.606 -5.643 1.00 0.00 H new ATOM 0 HG2 LYS A 46 14.617 -3.906 -4.838 1.00 0.00 H new ATOM 0 HG3 LYS A 46 15.250 -4.110 -6.459 1.00 0.00 H new ATOM 0 HD2 LYS A 46 13.461 -2.462 -7.251 1.00 0.00 H new ATOM 0 HD3 LYS A 46 13.105 -2.150 -5.563 1.00 0.00 H new ATOM 0 HE2 LYS A 46 14.639 -0.452 -6.349 1.00 0.00 H new ATOM 0 HE3 LYS A 46 15.482 -1.475 -5.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 16.666 -0.890 -7.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 16.679 -2.524 -6.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 15.627 -1.996 -8.115 1.00 0.00 H new ATOM 740 N TYR A 47 12.607 -6.397 -3.634 1.00 0.00 N ATOM 741 CA TYR A 47 12.590 -6.389 -2.179 1.00 0.00 C ATOM 742 C TYR A 47 12.430 -7.798 -1.616 1.00 0.00 C ATOM 743 O TYR A 47 12.794 -8.067 -0.471 1.00 0.00 O ATOM 744 CB TYR A 47 11.460 -5.493 -1.672 1.00 0.00 C ATOM 745 CG TYR A 47 11.541 -4.074 -2.194 1.00 0.00 C ATOM 746 CD1 TYR A 47 12.425 -3.156 -1.640 1.00 0.00 C ATOM 747 CD2 TYR A 47 10.745 -3.663 -3.254 1.00 0.00 C ATOM 748 CE1 TYR A 47 12.506 -1.867 -2.125 1.00 0.00 C ATOM 749 CE2 TYR A 47 10.825 -2.375 -3.746 1.00 0.00 C ATOM 750 CZ TYR A 47 11.708 -1.483 -3.177 1.00 0.00 C ATOM 751 OH TYR A 47 11.798 -0.202 -3.666 1.00 0.00 O ATOM 0 H TYR A 47 11.685 -6.342 -4.068 1.00 0.00 H new ATOM 0 HA TYR A 47 13.546 -5.995 -1.835 1.00 0.00 H new ATOM 0 HB2 TYR A 47 10.503 -5.926 -1.964 1.00 0.00 H new ATOM 0 HB3 TYR A 47 11.482 -5.474 -0.582 1.00 0.00 H new ATOM 0 HD1 TYR A 47 13.058 -3.456 -0.818 1.00 0.00 H new ATOM 0 HD2 TYR A 47 10.053 -4.361 -3.701 1.00 0.00 H new ATOM 0 HE1 TYR A 47 13.193 -1.162 -1.680 1.00 0.00 H new ATOM 0 HE2 TYR A 47 10.199 -2.069 -4.571 1.00 0.00 H new ATOM 0 HH TYR A 47 11.583 -0.201 -4.622 1.00 0.00 H new ATOM 761 N GLY A 48 11.889 -8.698 -2.422 1.00 0.00 N ATOM 762 CA GLY A 48 11.691 -10.064 -1.985 1.00 0.00 C ATOM 763 C GLY A 48 12.692 -11.009 -2.609 1.00 0.00 C ATOM 764 O GLY A 48 12.327 -12.088 -3.082 1.00 0.00 O ATOM 0 H GLY A 48 11.582 -8.506 -3.376 1.00 0.00 H new ATOM 0 HA2 GLY A 48 11.774 -10.113 -0.899 1.00 0.00 H new ATOM 0 HA3 GLY A 48 10.681 -10.384 -2.242 1.00 0.00 H new ATOM 768 N SER A 49 13.958 -10.607 -2.585 1.00 0.00 N ATOM 769 CA SER A 49 15.036 -11.368 -3.205 1.00 0.00 C ATOM 770 C SER A 49 15.192 -12.745 -2.565 1.00 0.00 C ATOM 771 O SER A 49 15.493 -13.726 -3.247 1.00 0.00 O ATOM 772 CB SER A 49 16.344 -10.577 -3.099 1.00 0.00 C ATOM 773 OG SER A 49 16.506 -10.038 -1.793 1.00 0.00 O ATOM 0 H SER A 49 14.266 -9.745 -2.135 1.00 0.00 H new ATOM 0 HA SER A 49 14.787 -11.524 -4.255 1.00 0.00 H new ATOM 0 HB2 SER A 49 17.187 -11.226 -3.336 1.00 0.00 H new ATOM 0 HB3 SER A 49 16.347 -9.771 -3.833 1.00 0.00 H new ATOM 0 HG SER A 49 16.661 -10.766 -1.156 1.00 0.00 H new ATOM 779 N ASN A 50 14.981 -12.817 -1.257 1.00 0.00 N ATOM 780 CA ASN A 50 15.121 -14.071 -0.535 1.00 0.00 C ATOM 781 C ASN A 50 13.780 -14.764 -0.401 1.00 0.00 C ATOM 782 O ASN A 50 12.862 -14.261 0.247 1.00 0.00 O ATOM 783 CB ASN A 50 15.715 -13.851 0.849 1.00 0.00 C ATOM 784 CG ASN A 50 17.066 -13.165 0.805 1.00 0.00 C ATOM 785 OD1 ASN A 50 17.152 -11.936 0.754 1.00 0.00 O ATOM 786 ND2 ASN A 50 18.127 -13.954 0.838 1.00 0.00 N ATOM 0 H ASN A 50 14.713 -12.022 -0.677 1.00 0.00 H new ATOM 0 HA ASN A 50 15.799 -14.702 -1.110 1.00 0.00 H new ATOM 0 HB2 ASN A 50 15.027 -13.250 1.444 1.00 0.00 H new ATOM 0 HB3 ASN A 50 15.817 -14.812 1.353 1.00 0.00 H new ATOM 0 HD21 ASN A 50 19.064 -13.550 0.821 1.00 0.00 H new ATOM 0 HD22 ASN A 50 18.009 -14.966 0.880 1.00 0.00 H new ATOM 793 N HIS A 51 13.686 -15.914 -1.031 1.00 0.00 N ATOM 794 CA HIS A 51 12.492 -16.754 -0.985 1.00 0.00 C ATOM 795 C HIS A 51 12.865 -18.198 -1.294 1.00 0.00 C ATOM 796 O HIS A 51 12.307 -19.131 -0.719 1.00 0.00 O ATOM 797 CB HIS A 51 11.417 -16.264 -1.967 1.00 0.00 C ATOM 798 CG HIS A 51 10.544 -15.171 -1.416 1.00 0.00 C ATOM 799 ND1 HIS A 51 10.621 -13.856 -1.830 1.00 0.00 N ATOM 800 CD2 HIS A 51 9.566 -15.206 -0.475 1.00 0.00 C ATOM 801 CE1 HIS A 51 9.732 -13.135 -1.169 1.00 0.00 C ATOM 802 NE2 HIS A 51 9.080 -13.928 -0.344 1.00 0.00 N ATOM 0 H HIS A 51 14.440 -16.303 -1.598 1.00 0.00 H new ATOM 0 HA HIS A 51 12.075 -16.692 0.020 1.00 0.00 H new ATOM 0 HB2 HIS A 51 11.903 -15.905 -2.874 1.00 0.00 H new ATOM 0 HB3 HIS A 51 10.789 -17.107 -2.254 1.00 0.00 H new ATOM 0 HD1 HIS A 51 11.264 -13.497 -2.536 1.00 0.00 H new ATOM 0 HD2 HIS A 51 9.232 -16.077 0.069 1.00 0.00 H new ATOM 0 HE1 HIS A 51 9.568 -12.074 -1.286 1.00 0.00 H new ATOM 0 HE2 HIS A 51 8.335 -13.640 0.290 1.00 0.00 H new ATOM 811 N ASN A 52 13.811 -18.365 -2.212 1.00 0.00 N ATOM 812 CA ASN A 52 14.349 -19.679 -2.553 1.00 0.00 C ATOM 813 C ASN A 52 15.744 -19.517 -3.146 1.00 0.00 C ATOM 814 O ASN A 52 15.923 -19.517 -4.365 1.00 0.00 O ATOM 815 CB ASN A 52 13.438 -20.412 -3.545 1.00 0.00 C ATOM 816 CG ASN A 52 13.954 -21.796 -3.894 1.00 0.00 C ATOM 817 OD1 ASN A 52 14.600 -22.457 -3.079 1.00 0.00 O ATOM 818 ND2 ASN A 52 13.679 -22.244 -5.110 1.00 0.00 N ATOM 0 H ASN A 52 14.226 -17.597 -2.740 1.00 0.00 H new ATOM 0 HA ASN A 52 14.403 -20.278 -1.644 1.00 0.00 H new ATOM 0 HB2 ASN A 52 12.438 -20.497 -3.120 1.00 0.00 H new ATOM 0 HB3 ASN A 52 13.348 -19.821 -4.456 1.00 0.00 H new ATOM 0 HD21 ASN A 52 14.005 -23.166 -5.400 1.00 0.00 H new ATOM 0 HD22 ASN A 52 13.141 -21.667 -5.757 1.00 0.00 H new ATOM 825 N VAL A 53 16.724 -19.309 -2.282 1.00 0.00 N ATOM 826 CA VAL A 53 18.092 -19.103 -2.733 1.00 0.00 C ATOM 827 C VAL A 53 18.802 -20.429 -3.015 1.00 0.00 C ATOM 828 O VAL A 53 19.314 -20.646 -4.114 1.00 0.00 O ATOM 829 CB VAL A 53 18.912 -18.252 -1.730 1.00 0.00 C ATOM 830 CG1 VAL A 53 18.450 -16.801 -1.763 1.00 0.00 C ATOM 831 CG2 VAL A 53 18.808 -18.805 -0.312 1.00 0.00 C ATOM 0 H VAL A 53 16.600 -19.278 -1.270 1.00 0.00 H new ATOM 0 HA VAL A 53 18.028 -18.547 -3.669 1.00 0.00 H new ATOM 0 HB VAL A 53 19.958 -18.300 -2.033 1.00 0.00 H new ATOM 0 HG11 VAL A 53 19.035 -16.217 -1.053 1.00 0.00 H new ATOM 0 HG12 VAL A 53 18.588 -16.398 -2.766 1.00 0.00 H new ATOM 0 HG13 VAL A 53 17.395 -16.749 -1.493 1.00 0.00 H new ATOM 0 HG21 VAL A 53 19.395 -18.184 0.365 1.00 0.00 H new ATOM 0 HG22 VAL A 53 17.765 -18.801 0.005 1.00 0.00 H new ATOM 0 HG23 VAL A 53 19.190 -19.826 -0.291 1.00 0.00 H new ATOM 841 N GLN A 54 18.820 -21.320 -2.030 1.00 0.00 N ATOM 842 CA GLN A 54 19.547 -22.576 -2.157 1.00 0.00 C ATOM 843 C GLN A 54 18.648 -23.770 -1.870 1.00 0.00 C ATOM 844 O GLN A 54 18.053 -23.872 -0.794 1.00 0.00 O ATOM 845 CB GLN A 54 20.751 -22.593 -1.209 1.00 0.00 C ATOM 846 CG GLN A 54 21.738 -21.463 -1.458 1.00 0.00 C ATOM 847 CD GLN A 54 22.264 -21.456 -2.878 1.00 0.00 C ATOM 848 OE1 GLN A 54 22.407 -22.501 -3.507 1.00 0.00 O ATOM 849 NE2 GLN A 54 22.534 -20.271 -3.397 1.00 0.00 N ATOM 0 H GLN A 54 18.341 -21.196 -1.138 1.00 0.00 H new ATOM 0 HA GLN A 54 19.897 -22.653 -3.186 1.00 0.00 H new ATOM 0 HB2 GLN A 54 20.394 -22.533 -0.181 1.00 0.00 H new ATOM 0 HB3 GLN A 54 21.270 -23.546 -1.311 1.00 0.00 H new ATOM 0 HG2 GLN A 54 21.254 -20.509 -1.248 1.00 0.00 H new ATOM 0 HG3 GLN A 54 22.574 -21.555 -0.765 1.00 0.00 H new ATOM 0 HE21 GLN A 54 22.401 -19.428 -2.839 1.00 0.00 H new ATOM 0 HE22 GLN A 54 22.875 -20.200 -4.356 1.00 0.00 H new ATOM 858 N GLY A 55 18.550 -24.658 -2.842 1.00 0.00 N ATOM 859 CA GLY A 55 17.839 -25.907 -2.663 1.00 0.00 C ATOM 860 C GLY A 55 18.656 -27.058 -3.202 1.00 0.00 C ATOM 861 O GLY A 55 18.116 -28.091 -3.603 1.00 0.00 O ATOM 0 H GLY A 55 18.957 -24.534 -3.769 1.00 0.00 H new ATOM 0 HA2 GLY A 55 17.629 -26.065 -1.605 1.00 0.00 H new ATOM 0 HA3 GLY A 55 16.878 -25.863 -3.176 1.00 0.00 H new ATOM 865 N THR A 56 19.969 -26.849 -3.188 1.00 0.00 N ATOM 866 CA THR A 56 20.960 -27.752 -3.767 1.00 0.00 C ATOM 867 C THR A 56 20.605 -28.147 -5.202 1.00 0.00 C ATOM 868 O THR A 56 19.880 -29.112 -5.447 1.00 0.00 O ATOM 869 CB THR A 56 21.203 -29.007 -2.893 1.00 0.00 C ATOM 870 OG1 THR A 56 19.980 -29.705 -2.631 1.00 0.00 O ATOM 871 CG2 THR A 56 21.865 -28.626 -1.573 1.00 0.00 C ATOM 0 H THR A 56 20.386 -26.022 -2.761 1.00 0.00 H new ATOM 0 HA THR A 56 21.895 -27.193 -3.796 1.00 0.00 H new ATOM 0 HB THR A 56 21.867 -29.667 -3.451 1.00 0.00 H new ATOM 0 HG1 THR A 56 19.291 -29.405 -3.260 1.00 0.00 H new ATOM 0 HG21 THR A 56 22.026 -29.523 -0.975 1.00 0.00 H new ATOM 0 HG22 THR A 56 22.823 -28.145 -1.772 1.00 0.00 H new ATOM 0 HG23 THR A 56 21.220 -27.937 -1.028 1.00 0.00 H new ATOM 879 N THR A 57 21.143 -27.392 -6.148 1.00 0.00 N ATOM 880 CA THR A 57 20.874 -27.610 -7.558 1.00 0.00 C ATOM 881 C THR A 57 21.781 -28.707 -8.119 1.00 0.00 C ATOM 882 O THR A 57 23.005 -28.573 -8.106 1.00 0.00 O ATOM 883 CB THR A 57 21.076 -26.305 -8.358 1.00 0.00 C ATOM 884 OG1 THR A 57 20.380 -25.227 -7.710 1.00 0.00 O ATOM 885 CG2 THR A 57 20.566 -26.453 -9.785 1.00 0.00 C ATOM 0 H THR A 57 21.776 -26.614 -5.959 1.00 0.00 H new ATOM 0 HA THR A 57 19.836 -27.928 -7.657 1.00 0.00 H new ATOM 0 HB THR A 57 22.144 -26.089 -8.394 1.00 0.00 H new ATOM 0 HG1 THR A 57 20.511 -24.400 -8.219 1.00 0.00 H new ATOM 0 HG21 THR A 57 20.721 -25.519 -10.325 1.00 0.00 H new ATOM 0 HG22 THR A 57 21.109 -27.255 -10.284 1.00 0.00 H new ATOM 0 HG23 THR A 57 19.502 -26.691 -9.768 1.00 0.00 H new ATOM 893 N PRO A 58 21.190 -29.805 -8.614 1.00 0.00 N ATOM 894 CA PRO A 58 21.946 -30.930 -9.181 1.00 0.00 C ATOM 895 C PRO A 58 22.838 -30.508 -10.346 1.00 0.00 C ATOM 896 O PRO A 58 23.940 -31.027 -10.517 1.00 0.00 O ATOM 897 CB PRO A 58 20.858 -31.895 -9.662 1.00 0.00 C ATOM 898 CG PRO A 58 19.644 -31.528 -8.883 1.00 0.00 C ATOM 899 CD PRO A 58 19.737 -30.046 -8.647 1.00 0.00 C ATOM 0 HA PRO A 58 22.625 -31.367 -8.449 1.00 0.00 H new ATOM 0 HB2 PRO A 58 20.685 -31.792 -10.733 1.00 0.00 H new ATOM 0 HB3 PRO A 58 21.143 -32.932 -9.483 1.00 0.00 H new ATOM 0 HG2 PRO A 58 18.737 -31.780 -9.432 1.00 0.00 H new ATOM 0 HG3 PRO A 58 19.606 -32.072 -7.939 1.00 0.00 H new ATOM 0 HD2 PRO A 58 19.252 -29.480 -9.442 1.00 0.00 H new ATOM 0 HD3 PRO A 58 19.259 -29.756 -7.712 1.00 0.00 H new ATOM 907 N SER A 59 22.351 -29.562 -11.133 1.00 0.00 N ATOM 908 CA SER A 59 23.102 -29.036 -12.269 1.00 0.00 C ATOM 909 C SER A 59 24.288 -28.188 -11.796 1.00 0.00 C ATOM 910 O SER A 59 25.314 -28.094 -12.474 1.00 0.00 O ATOM 911 CB SER A 59 22.173 -28.205 -13.166 1.00 0.00 C ATOM 912 OG SER A 59 22.820 -27.806 -14.362 1.00 0.00 O ATOM 0 H SER A 59 21.432 -29.138 -11.007 1.00 0.00 H new ATOM 0 HA SER A 59 23.497 -29.874 -12.843 1.00 0.00 H new ATOM 0 HB2 SER A 59 21.285 -28.788 -13.410 1.00 0.00 H new ATOM 0 HB3 SER A 59 21.836 -27.322 -12.622 1.00 0.00 H new ATOM 0 HG SER A 59 22.200 -27.281 -14.910 1.00 0.00 H new ATOM 918 N ALA A 60 24.160 -27.598 -10.614 1.00 0.00 N ATOM 919 CA ALA A 60 25.197 -26.726 -10.085 1.00 0.00 C ATOM 920 C ALA A 60 26.325 -27.537 -9.469 1.00 0.00 C ATOM 921 O ALA A 60 27.469 -27.082 -9.395 1.00 0.00 O ATOM 922 CB ALA A 60 24.614 -25.765 -9.058 1.00 0.00 C ATOM 0 H ALA A 60 23.349 -27.708 -10.005 1.00 0.00 H new ATOM 0 HA ALA A 60 25.606 -26.146 -10.912 1.00 0.00 H new ATOM 0 HB1 ALA A 60 25.404 -25.120 -8.673 1.00 0.00 H new ATOM 0 HB2 ALA A 60 23.844 -25.154 -9.528 1.00 0.00 H new ATOM 0 HB3 ALA A 60 24.176 -26.332 -8.237 1.00 0.00 H new ATOM 928 N ALA A 61 26.004 -28.760 -9.060 1.00 0.00 N ATOM 929 CA ALA A 61 26.974 -29.615 -8.390 1.00 0.00 C ATOM 930 C ALA A 61 27.988 -30.182 -9.374 1.00 0.00 C ATOM 931 O ALA A 61 28.969 -30.812 -8.981 1.00 0.00 O ATOM 932 CB ALA A 61 26.268 -30.738 -7.648 1.00 0.00 C ATOM 0 H ALA A 61 25.082 -29.179 -9.181 1.00 0.00 H new ATOM 0 HA ALA A 61 27.516 -29.003 -7.669 1.00 0.00 H new ATOM 0 HB1 ALA A 61 27.007 -31.368 -7.153 1.00 0.00 H new ATOM 0 HB2 ALA A 61 25.594 -30.315 -6.903 1.00 0.00 H new ATOM 0 HB3 ALA A 61 25.696 -31.338 -8.355 1.00 0.00 H new ATOM 938 N VAL A 62 27.761 -29.927 -10.653 1.00 0.00 N ATOM 939 CA VAL A 62 28.678 -30.358 -11.701 1.00 0.00 C ATOM 940 C VAL A 62 29.957 -29.537 -11.638 1.00 0.00 C ATOM 941 O VAL A 62 31.050 -30.036 -11.906 1.00 0.00 O ATOM 942 CB VAL A 62 28.043 -30.230 -13.102 1.00 0.00 C ATOM 943 CG1 VAL A 62 29.002 -30.704 -14.186 1.00 0.00 C ATOM 944 CG2 VAL A 62 26.738 -31.009 -13.168 1.00 0.00 C ATOM 0 H VAL A 62 26.944 -29.420 -10.994 1.00 0.00 H new ATOM 0 HA VAL A 62 28.907 -31.410 -11.532 1.00 0.00 H new ATOM 0 HB VAL A 62 27.830 -29.176 -13.279 1.00 0.00 H new ATOM 0 HG11 VAL A 62 28.527 -30.602 -15.162 1.00 0.00 H new ATOM 0 HG12 VAL A 62 29.909 -30.100 -14.159 1.00 0.00 H new ATOM 0 HG13 VAL A 62 29.257 -31.750 -14.014 1.00 0.00 H new ATOM 0 HG21 VAL A 62 26.304 -30.908 -14.163 1.00 0.00 H new ATOM 0 HG22 VAL A 62 26.932 -32.062 -12.962 1.00 0.00 H new ATOM 0 HG23 VAL A 62 26.042 -30.616 -12.427 1.00 0.00 H new ATOM 954 N SER A 63 29.805 -28.284 -11.237 1.00 0.00 N ATOM 955 CA SER A 63 30.931 -27.376 -11.092 1.00 0.00 C ATOM 956 C SER A 63 31.893 -27.891 -10.029 1.00 0.00 C ATOM 957 O SER A 63 33.110 -27.746 -10.143 1.00 0.00 O ATOM 958 CB SER A 63 30.426 -25.987 -10.706 1.00 0.00 C ATOM 959 OG SER A 63 29.363 -25.579 -11.553 1.00 0.00 O ATOM 0 H SER A 63 28.902 -27.870 -11.004 1.00 0.00 H new ATOM 0 HA SER A 63 31.460 -27.316 -12.043 1.00 0.00 H new ATOM 0 HB2 SER A 63 30.088 -25.994 -9.670 1.00 0.00 H new ATOM 0 HB3 SER A 63 31.243 -25.268 -10.770 1.00 0.00 H new ATOM 0 HG SER A 63 28.508 -25.850 -11.159 1.00 0.00 H new ATOM 965 N GLU A 64 31.334 -28.512 -8.999 1.00 0.00 N ATOM 966 CA GLU A 64 32.134 -29.051 -7.916 1.00 0.00 C ATOM 967 C GLU A 64 32.766 -30.371 -8.336 1.00 0.00 C ATOM 968 O GLU A 64 33.911 -30.657 -7.998 1.00 0.00 O ATOM 969 CB GLU A 64 31.262 -29.257 -6.677 1.00 0.00 C ATOM 970 CG GLU A 64 31.926 -28.822 -5.381 1.00 0.00 C ATOM 971 CD GLU A 64 32.164 -27.326 -5.326 1.00 0.00 C ATOM 972 OE1 GLU A 64 31.198 -26.576 -5.060 1.00 0.00 O ATOM 973 OE2 GLU A 64 33.308 -26.889 -5.560 1.00 0.00 O ATOM 0 H GLU A 64 30.329 -28.653 -8.894 1.00 0.00 H new ATOM 0 HA GLU A 64 32.928 -28.343 -7.678 1.00 0.00 H new ATOM 0 HB2 GLU A 64 30.332 -28.702 -6.802 1.00 0.00 H new ATOM 0 HB3 GLU A 64 30.996 -30.311 -6.602 1.00 0.00 H new ATOM 0 HG2 GLU A 64 31.301 -29.119 -4.539 1.00 0.00 H new ATOM 0 HG3 GLU A 64 32.877 -29.343 -5.271 1.00 0.00 H new ATOM 980 N ALA A 65 32.018 -31.143 -9.115 1.00 0.00 N ATOM 981 CA ALA A 65 32.469 -32.449 -9.582 1.00 0.00 C ATOM 982 C ALA A 65 33.700 -32.322 -10.473 1.00 0.00 C ATOM 983 O ALA A 65 34.585 -33.177 -10.446 1.00 0.00 O ATOM 984 CB ALA A 65 31.352 -33.164 -10.325 1.00 0.00 C ATOM 0 H ALA A 65 31.086 -30.884 -9.440 1.00 0.00 H new ATOM 0 HA ALA A 65 32.744 -33.039 -8.708 1.00 0.00 H new ATOM 0 HB1 ALA A 65 31.706 -34.137 -10.666 1.00 0.00 H new ATOM 0 HB2 ALA A 65 30.501 -33.301 -9.658 1.00 0.00 H new ATOM 0 HB3 ALA A 65 31.047 -32.567 -11.184 1.00 0.00 H new ATOM 990 N GLU A 66 33.746 -31.248 -11.252 1.00 0.00 N ATOM 991 CA GLU A 66 34.897 -30.955 -12.104 1.00 0.00 C ATOM 992 C GLU A 66 36.166 -30.830 -11.259 1.00 0.00 C ATOM 993 O GLU A 66 37.188 -31.463 -11.543 1.00 0.00 O ATOM 994 CB GLU A 66 34.656 -29.656 -12.869 1.00 0.00 C ATOM 995 CG GLU A 66 35.867 -29.161 -13.641 1.00 0.00 C ATOM 996 CD GLU A 66 35.626 -27.820 -14.294 1.00 0.00 C ATOM 997 OE1 GLU A 66 35.384 -26.833 -13.569 1.00 0.00 O ATOM 998 OE2 GLU A 66 35.685 -27.743 -15.539 1.00 0.00 O ATOM 0 H GLU A 66 32.995 -30.560 -11.313 1.00 0.00 H new ATOM 0 HA GLU A 66 35.026 -31.773 -12.813 1.00 0.00 H new ATOM 0 HB2 GLU A 66 33.830 -29.804 -13.565 1.00 0.00 H new ATOM 0 HB3 GLU A 66 34.346 -28.884 -12.165 1.00 0.00 H new ATOM 0 HG2 GLU A 66 36.719 -29.085 -12.965 1.00 0.00 H new ATOM 0 HG3 GLU A 66 36.131 -29.892 -14.405 1.00 0.00 H new ATOM 1005 N GLN A 67 36.078 -30.018 -10.215 1.00 0.00 N ATOM 1006 CA GLN A 67 37.191 -29.804 -9.299 1.00 0.00 C ATOM 1007 C GLN A 67 37.494 -31.079 -8.522 1.00 0.00 C ATOM 1008 O GLN A 67 38.653 -31.396 -8.267 1.00 0.00 O ATOM 1009 CB GLN A 67 36.869 -28.649 -8.344 1.00 0.00 C ATOM 1010 CG GLN A 67 37.193 -27.263 -8.901 1.00 0.00 C ATOM 1011 CD GLN A 67 36.991 -27.145 -10.403 1.00 0.00 C ATOM 1012 OE1 GLN A 67 37.922 -27.359 -11.181 1.00 0.00 O ATOM 1013 NE2 GLN A 67 35.779 -26.825 -10.824 1.00 0.00 N ATOM 0 H GLN A 67 35.237 -29.491 -9.979 1.00 0.00 H new ATOM 0 HA GLN A 67 38.077 -29.541 -9.876 1.00 0.00 H new ATOM 0 HB2 GLN A 67 35.810 -28.687 -8.091 1.00 0.00 H new ATOM 0 HB3 GLN A 67 37.424 -28.794 -7.417 1.00 0.00 H new ATOM 0 HG2 GLN A 67 36.567 -26.525 -8.400 1.00 0.00 H new ATOM 0 HG3 GLN A 67 38.228 -27.018 -8.662 1.00 0.00 H new ATOM 0 HE21 GLN A 67 35.033 -26.655 -10.149 1.00 0.00 H new ATOM 0 HE22 GLN A 67 35.590 -26.748 -11.823 1.00 0.00 H new ATOM 1022 N ILE A 68 36.445 -31.817 -8.171 1.00 0.00 N ATOM 1023 CA ILE A 68 36.594 -33.091 -7.473 1.00 0.00 C ATOM 1024 C ILE A 68 37.445 -34.067 -8.285 1.00 0.00 C ATOM 1025 O ILE A 68 38.383 -34.669 -7.756 1.00 0.00 O ATOM 1026 CB ILE A 68 35.218 -33.728 -7.155 1.00 0.00 C ATOM 1027 CG1 ILE A 68 34.491 -32.921 -6.074 1.00 0.00 C ATOM 1028 CG2 ILE A 68 35.368 -35.181 -6.717 1.00 0.00 C ATOM 1029 CD1 ILE A 68 35.249 -32.820 -4.764 1.00 0.00 C ATOM 0 H ILE A 68 35.478 -31.553 -8.359 1.00 0.00 H new ATOM 0 HA ILE A 68 37.102 -32.883 -6.531 1.00 0.00 H new ATOM 0 HB ILE A 68 34.624 -33.711 -8.069 1.00 0.00 H new ATOM 0 HG12 ILE A 68 34.302 -31.916 -6.451 1.00 0.00 H new ATOM 0 HG13 ILE A 68 33.520 -33.378 -5.885 1.00 0.00 H new ATOM 0 HG21 ILE A 68 34.385 -35.599 -6.501 1.00 0.00 H new ATOM 0 HG22 ILE A 68 35.839 -35.755 -7.515 1.00 0.00 H new ATOM 0 HG23 ILE A 68 35.987 -35.229 -5.821 1.00 0.00 H new ATOM 0 HD11 ILE A 68 34.668 -32.234 -4.052 1.00 0.00 H new ATOM 0 HD12 ILE A 68 35.415 -33.819 -4.362 1.00 0.00 H new ATOM 0 HD13 ILE A 68 36.209 -32.334 -4.936 1.00 0.00 H new ATOM 1041 N ARG A 69 37.125 -34.213 -9.571 1.00 0.00 N ATOM 1042 CA ARG A 69 37.904 -35.080 -10.455 1.00 0.00 C ATOM 1043 C ARG A 69 39.359 -34.632 -10.490 1.00 0.00 C ATOM 1044 O ARG A 69 40.279 -35.441 -10.352 1.00 0.00 O ATOM 1045 CB ARG A 69 37.351 -35.072 -11.886 1.00 0.00 C ATOM 1046 CG ARG A 69 35.947 -35.635 -12.044 1.00 0.00 C ATOM 1047 CD ARG A 69 35.593 -35.781 -13.518 1.00 0.00 C ATOM 1048 NE ARG A 69 34.200 -36.179 -13.724 1.00 0.00 N ATOM 1049 CZ ARG A 69 33.822 -37.233 -14.455 1.00 0.00 C ATOM 1050 NH1 ARG A 69 34.732 -38.040 -14.987 1.00 0.00 N ATOM 1051 NH2 ARG A 69 32.535 -37.476 -14.652 1.00 0.00 N ATOM 0 H ARG A 69 36.338 -33.746 -10.021 1.00 0.00 H new ATOM 0 HA ARG A 69 37.833 -36.092 -10.056 1.00 0.00 H new ATOM 0 HB2 ARG A 69 37.357 -34.046 -12.254 1.00 0.00 H new ATOM 0 HB3 ARG A 69 38.027 -35.643 -12.522 1.00 0.00 H new ATOM 0 HG2 ARG A 69 35.880 -36.604 -11.550 1.00 0.00 H new ATOM 0 HG3 ARG A 69 35.228 -34.978 -11.555 1.00 0.00 H new ATOM 0 HD2 ARG A 69 35.776 -34.835 -14.028 1.00 0.00 H new ATOM 0 HD3 ARG A 69 36.250 -36.521 -13.974 1.00 0.00 H new ATOM 0 HE ARG A 69 33.472 -35.617 -13.282 1.00 0.00 H new ATOM 0 HH11 ARG A 69 35.725 -37.857 -14.839 1.00 0.00 H new ATOM 0 HH12 ARG A 69 34.439 -38.843 -15.544 1.00 0.00 H new ATOM 0 HH21 ARG A 69 31.832 -36.859 -14.246 1.00 0.00 H new ATOM 0 HH22 ARG A 69 32.247 -38.280 -15.210 1.00 0.00 H new ATOM 1065 N GLN A 70 39.547 -33.332 -10.664 1.00 0.00 N ATOM 1066 CA GLN A 70 40.865 -32.745 -10.807 1.00 0.00 C ATOM 1067 C GLN A 70 41.694 -32.932 -9.535 1.00 0.00 C ATOM 1068 O GLN A 70 42.875 -33.267 -9.597 1.00 0.00 O ATOM 1069 CB GLN A 70 40.711 -31.258 -11.122 1.00 0.00 C ATOM 1070 CG GLN A 70 41.682 -30.728 -12.165 1.00 0.00 C ATOM 1071 CD GLN A 70 43.134 -30.935 -11.782 1.00 0.00 C ATOM 1072 OE1 GLN A 70 43.732 -30.104 -11.105 1.00 0.00 O ATOM 1073 NE2 GLN A 70 43.718 -32.036 -12.228 1.00 0.00 N ATOM 0 H GLN A 70 38.785 -32.655 -10.710 1.00 0.00 H new ATOM 0 HA GLN A 70 41.390 -33.246 -11.620 1.00 0.00 H new ATOM 0 HB2 GLN A 70 39.693 -31.077 -11.467 1.00 0.00 H new ATOM 0 HB3 GLN A 70 40.841 -30.690 -10.201 1.00 0.00 H new ATOM 0 HG2 GLN A 70 41.489 -31.222 -13.117 1.00 0.00 H new ATOM 0 HG3 GLN A 70 41.500 -29.664 -12.315 1.00 0.00 H new ATOM 0 HE21 GLN A 70 43.188 -32.703 -12.788 1.00 0.00 H new ATOM 0 HE22 GLN A 70 44.698 -32.217 -12.012 1.00 0.00 H new ATOM 1082 N LEU A 71 41.069 -32.720 -8.386 1.00 0.00 N ATOM 1083 CA LEU A 71 41.763 -32.811 -7.109 1.00 0.00 C ATOM 1084 C LEU A 71 42.126 -34.261 -6.794 1.00 0.00 C ATOM 1085 O LEU A 71 43.259 -34.558 -6.411 1.00 0.00 O ATOM 1086 CB LEU A 71 40.878 -32.208 -6.003 1.00 0.00 C ATOM 1087 CG LEU A 71 41.558 -31.900 -4.658 1.00 0.00 C ATOM 1088 CD1 LEU A 71 41.790 -33.165 -3.844 1.00 0.00 C ATOM 1089 CD2 LEU A 71 42.872 -31.166 -4.877 1.00 0.00 C ATOM 0 H LEU A 71 40.080 -32.483 -8.312 1.00 0.00 H new ATOM 0 HA LEU A 71 42.693 -32.245 -7.164 1.00 0.00 H new ATOM 0 HB2 LEU A 71 40.443 -31.283 -6.383 1.00 0.00 H new ATOM 0 HB3 LEU A 71 40.053 -32.895 -5.816 1.00 0.00 H new ATOM 0 HG LEU A 71 40.885 -31.257 -4.091 1.00 0.00 H new ATOM 0 HD11 LEU A 71 42.272 -32.908 -2.901 1.00 0.00 H new ATOM 0 HD12 LEU A 71 40.834 -33.649 -3.643 1.00 0.00 H new ATOM 0 HD13 LEU A 71 42.430 -33.846 -4.405 1.00 0.00 H new ATOM 0 HD21 LEU A 71 43.337 -30.957 -3.914 1.00 0.00 H new ATOM 0 HD22 LEU A 71 43.540 -31.786 -5.476 1.00 0.00 H new ATOM 0 HD23 LEU A 71 42.682 -30.228 -5.399 1.00 0.00 H new ATOM 1101 N LYS A 72 41.169 -35.160 -6.977 1.00 0.00 N ATOM 1102 CA LYS A 72 41.349 -36.553 -6.583 1.00 0.00 C ATOM 1103 C LYS A 72 42.243 -37.313 -7.561 1.00 0.00 C ATOM 1104 O LYS A 72 43.127 -38.064 -7.152 1.00 0.00 O ATOM 1105 CB LYS A 72 39.987 -37.245 -6.460 1.00 0.00 C ATOM 1106 CG LYS A 72 40.070 -38.660 -5.907 1.00 0.00 C ATOM 1107 CD LYS A 72 38.692 -39.289 -5.771 1.00 0.00 C ATOM 1108 CE LYS A 72 38.774 -40.709 -5.227 1.00 0.00 C ATOM 1109 NZ LYS A 72 37.428 -41.331 -5.100 1.00 0.00 N ATOM 0 H LYS A 72 40.262 -34.952 -7.394 1.00 0.00 H new ATOM 0 HA LYS A 72 41.847 -36.560 -5.614 1.00 0.00 H new ATOM 0 HB2 LYS A 72 39.343 -36.649 -5.814 1.00 0.00 H new ATOM 0 HB3 LYS A 72 39.514 -37.275 -7.442 1.00 0.00 H new ATOM 0 HG2 LYS A 72 40.687 -39.273 -6.564 1.00 0.00 H new ATOM 0 HG3 LYS A 72 40.561 -38.643 -4.934 1.00 0.00 H new ATOM 0 HD2 LYS A 72 38.077 -38.680 -5.108 1.00 0.00 H new ATOM 0 HD3 LYS A 72 38.199 -39.299 -6.743 1.00 0.00 H new ATOM 0 HE2 LYS A 72 39.394 -41.316 -5.887 1.00 0.00 H new ATOM 0 HE3 LYS A 72 39.262 -40.697 -4.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 37.526 -42.297 -4.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 36.844 -40.766 -4.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 36.972 -41.365 -6.034 1.00 0.00 H new ATOM 1123 N LYS A 73 42.028 -37.110 -8.851 1.00 0.00 N ATOM 1124 CA LYS A 73 42.748 -37.878 -9.859 1.00 0.00 C ATOM 1125 C LYS A 73 43.880 -37.066 -10.481 1.00 0.00 C ATOM 1126 O LYS A 73 44.301 -37.337 -11.607 1.00 0.00 O ATOM 1127 CB LYS A 73 41.790 -38.372 -10.950 1.00 0.00 C ATOM 1128 CG LYS A 73 40.694 -39.290 -10.426 1.00 0.00 C ATOM 1129 CD LYS A 73 39.996 -40.039 -11.553 1.00 0.00 C ATOM 1130 CE LYS A 73 40.944 -41.010 -12.241 1.00 0.00 C ATOM 1131 NZ LYS A 73 40.249 -41.851 -13.250 1.00 0.00 N ATOM 0 H LYS A 73 41.368 -36.428 -9.224 1.00 0.00 H new ATOM 0 HA LYS A 73 43.189 -38.740 -9.359 1.00 0.00 H new ATOM 0 HB2 LYS A 73 41.330 -37.511 -11.436 1.00 0.00 H new ATOM 0 HB3 LYS A 73 42.362 -38.901 -11.713 1.00 0.00 H new ATOM 0 HG2 LYS A 73 41.124 -40.006 -9.726 1.00 0.00 H new ATOM 0 HG3 LYS A 73 39.962 -38.702 -9.872 1.00 0.00 H new ATOM 0 HD2 LYS A 73 39.140 -40.584 -11.155 1.00 0.00 H new ATOM 0 HD3 LYS A 73 39.610 -39.326 -12.282 1.00 0.00 H new ATOM 0 HE2 LYS A 73 41.745 -40.452 -12.725 1.00 0.00 H new ATOM 0 HE3 LYS A 73 41.410 -41.652 -11.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 40.933 -42.497 -13.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 39.501 -42.404 -12.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 39.826 -41.241 -13.979 1.00 0.00 H new ATOM 1145 N GLU A 74 44.385 -36.088 -9.739 1.00 0.00 N ATOM 1146 CA GLU A 74 45.513 -35.283 -10.197 1.00 0.00 C ATOM 1147 C GLU A 74 46.757 -36.152 -10.360 1.00 0.00 C ATOM 1148 O GLU A 74 47.316 -36.258 -11.452 1.00 0.00 O ATOM 1149 CB GLU A 74 45.796 -34.142 -9.210 1.00 0.00 C ATOM 1150 CG GLU A 74 47.013 -33.296 -9.570 1.00 0.00 C ATOM 1151 CD GLU A 74 46.810 -32.432 -10.802 1.00 0.00 C ATOM 1152 OE1 GLU A 74 46.278 -32.928 -11.812 1.00 0.00 O ATOM 1153 OE2 GLU A 74 47.201 -31.247 -10.769 1.00 0.00 O ATOM 0 H GLU A 74 44.032 -35.832 -8.817 1.00 0.00 H new ATOM 0 HA GLU A 74 45.255 -34.853 -11.165 1.00 0.00 H new ATOM 0 HB2 GLU A 74 44.920 -33.496 -9.157 1.00 0.00 H new ATOM 0 HB3 GLU A 74 45.941 -34.564 -8.215 1.00 0.00 H new ATOM 0 HG2 GLU A 74 47.263 -32.655 -8.724 1.00 0.00 H new ATOM 0 HG3 GLU A 74 47.866 -33.954 -9.734 1.00 0.00 H new ATOM 1160 N ASN A 75 47.170 -36.785 -9.270 1.00 0.00 N ATOM 1161 CA ASN A 75 48.378 -37.600 -9.265 1.00 0.00 C ATOM 1162 C ASN A 75 48.257 -38.697 -8.203 1.00 0.00 C ATOM 1163 O ASN A 75 47.193 -38.871 -7.606 1.00 0.00 O ATOM 1164 CB ASN A 75 49.603 -36.706 -9.003 1.00 0.00 C ATOM 1165 CG ASN A 75 50.921 -37.358 -9.406 1.00 0.00 C ATOM 1166 OD1 ASN A 75 51.564 -38.035 -8.603 1.00 0.00 O ATOM 1167 ND2 ASN A 75 51.334 -37.157 -10.650 1.00 0.00 N ATOM 0 H ASN A 75 46.684 -36.749 -8.374 1.00 0.00 H new ATOM 0 HA ASN A 75 48.504 -38.079 -10.236 1.00 0.00 H new ATOM 0 HB2 ASN A 75 49.486 -35.771 -9.550 1.00 0.00 H new ATOM 0 HB3 ASN A 75 49.640 -36.453 -7.943 1.00 0.00 H new ATOM 0 HD21 ASN A 75 52.211 -37.569 -10.969 1.00 0.00 H new ATOM 0 HD22 ASN A 75 50.775 -36.590 -11.288 1.00 0.00 H new ATOM 1174 N ALA A 76 49.342 -39.420 -7.968 1.00 0.00 N ATOM 1175 CA ALA A 76 49.352 -40.538 -7.041 1.00 0.00 C ATOM 1176 C ALA A 76 49.496 -40.079 -5.591 1.00 0.00 C ATOM 1177 O ALA A 76 49.326 -40.873 -4.674 1.00 0.00 O ATOM 1178 CB ALA A 76 50.468 -41.509 -7.396 1.00 0.00 C ATOM 0 H ALA A 76 50.241 -39.246 -8.417 1.00 0.00 H new ATOM 0 HA ALA A 76 48.391 -41.044 -7.132 1.00 0.00 H new ATOM 0 HB1 ALA A 76 50.463 -42.342 -6.693 1.00 0.00 H new ATOM 0 HB2 ALA A 76 50.314 -41.887 -8.407 1.00 0.00 H new ATOM 0 HB3 ALA A 76 51.428 -40.995 -7.343 1.00 0.00 H new ATOM 1184 N LEU A 77 49.820 -38.799 -5.405 1.00 0.00 N ATOM 1185 CA LEU A 77 50.137 -38.234 -4.093 1.00 0.00 C ATOM 1186 C LEU A 77 49.169 -38.688 -2.993 1.00 0.00 C ATOM 1187 O LEU A 77 49.598 -39.207 -1.962 1.00 0.00 O ATOM 1188 CB LEU A 77 50.121 -36.709 -4.191 1.00 0.00 C ATOM 1189 CG LEU A 77 51.100 -36.109 -5.204 1.00 0.00 C ATOM 1190 CD1 LEU A 77 50.919 -34.602 -5.287 1.00 0.00 C ATOM 1191 CD2 LEU A 77 52.539 -36.451 -4.832 1.00 0.00 C ATOM 0 H LEU A 77 49.870 -38.121 -6.165 1.00 0.00 H new ATOM 0 HA LEU A 77 51.125 -38.598 -3.812 1.00 0.00 H new ATOM 0 HB2 LEU A 77 49.112 -36.388 -4.451 1.00 0.00 H new ATOM 0 HB3 LEU A 77 50.343 -36.296 -3.207 1.00 0.00 H new ATOM 0 HG LEU A 77 50.887 -36.540 -6.182 1.00 0.00 H new ATOM 0 HD11 LEU A 77 51.622 -34.190 -6.011 1.00 0.00 H new ATOM 0 HD12 LEU A 77 49.900 -34.375 -5.601 1.00 0.00 H new ATOM 0 HD13 LEU A 77 51.105 -34.159 -4.309 1.00 0.00 H new ATOM 0 HD21 LEU A 77 53.218 -36.015 -5.565 1.00 0.00 H new ATOM 0 HD22 LEU A 77 52.765 -36.049 -3.844 1.00 0.00 H new ATOM 0 HD23 LEU A 77 52.664 -37.534 -4.821 1.00 0.00 H new ATOM 1203 N GLN A 78 47.874 -38.503 -3.215 1.00 0.00 N ATOM 1204 CA GLN A 78 46.872 -38.877 -2.220 1.00 0.00 C ATOM 1205 C GLN A 78 46.661 -40.392 -2.201 1.00 0.00 C ATOM 1206 O GLN A 78 46.506 -40.996 -1.136 1.00 0.00 O ATOM 1207 CB GLN A 78 45.546 -38.157 -2.506 1.00 0.00 C ATOM 1208 CG GLN A 78 44.423 -38.513 -1.542 1.00 0.00 C ATOM 1209 CD GLN A 78 44.731 -38.146 -0.102 1.00 0.00 C ATOM 1210 OE1 GLN A 78 44.435 -37.040 0.351 1.00 0.00 O ATOM 1211 NE2 GLN A 78 45.316 -39.076 0.633 1.00 0.00 N ATOM 0 H GLN A 78 47.492 -38.099 -4.070 1.00 0.00 H new ATOM 0 HA GLN A 78 47.234 -38.572 -1.238 1.00 0.00 H new ATOM 0 HB2 GLN A 78 45.714 -37.081 -2.469 1.00 0.00 H new ATOM 0 HB3 GLN A 78 45.228 -38.395 -3.521 1.00 0.00 H new ATOM 0 HG2 GLN A 78 43.511 -38.003 -1.853 1.00 0.00 H new ATOM 0 HG3 GLN A 78 44.226 -39.583 -1.603 1.00 0.00 H new ATOM 0 HE21 GLN A 78 45.546 -39.981 0.222 1.00 0.00 H new ATOM 0 HE22 GLN A 78 45.537 -38.889 1.611 1.00 0.00 H new ATOM 1220 N ARG A 79 46.689 -41.001 -3.381 1.00 0.00 N ATOM 1221 CA ARG A 79 46.423 -42.430 -3.530 1.00 0.00 C ATOM 1222 C ARG A 79 47.523 -43.251 -2.860 1.00 0.00 C ATOM 1223 O ARG A 79 47.302 -44.386 -2.429 1.00 0.00 O ATOM 1224 CB ARG A 79 46.316 -42.787 -5.023 1.00 0.00 C ATOM 1225 CG ARG A 79 45.347 -43.924 -5.339 1.00 0.00 C ATOM 1226 CD ARG A 79 45.860 -45.269 -4.850 1.00 0.00 C ATOM 1227 NE ARG A 79 44.865 -46.323 -5.017 1.00 0.00 N ATOM 1228 CZ ARG A 79 44.566 -47.219 -4.079 1.00 0.00 C ATOM 1229 NH1 ARG A 79 45.210 -47.217 -2.916 1.00 0.00 N ATOM 1230 NH2 ARG A 79 43.629 -48.122 -4.309 1.00 0.00 N ATOM 0 H ARG A 79 46.895 -40.523 -4.258 1.00 0.00 H new ATOM 0 HA ARG A 79 45.477 -42.667 -3.042 1.00 0.00 H new ATOM 0 HB2 ARG A 79 46.005 -41.899 -5.574 1.00 0.00 H new ATOM 0 HB3 ARG A 79 47.306 -43.059 -5.390 1.00 0.00 H new ATOM 0 HG2 ARG A 79 44.382 -43.715 -4.877 1.00 0.00 H new ATOM 0 HG3 ARG A 79 45.182 -43.970 -6.415 1.00 0.00 H new ATOM 0 HD2 ARG A 79 46.765 -45.534 -5.397 1.00 0.00 H new ATOM 0 HD3 ARG A 79 46.135 -45.192 -3.798 1.00 0.00 H new ATOM 0 HE ARG A 79 44.368 -46.377 -5.906 1.00 0.00 H new ATOM 0 HH11 ARG A 79 45.939 -46.526 -2.738 1.00 0.00 H new ATOM 0 HH12 ARG A 79 44.975 -47.907 -2.202 1.00 0.00 H new ATOM 0 HH21 ARG A 79 43.138 -48.131 -5.203 1.00 0.00 H new ATOM 0 HH22 ARG A 79 43.397 -48.810 -3.593 1.00 0.00 H new ATOM 1244 N ALA A 80 48.700 -42.655 -2.751 1.00 0.00 N ATOM 1245 CA ALA A 80 49.854 -43.316 -2.152 1.00 0.00 C ATOM 1246 C ALA A 80 49.604 -43.652 -0.689 1.00 0.00 C ATOM 1247 O ALA A 80 50.087 -44.665 -0.181 1.00 0.00 O ATOM 1248 CB ALA A 80 51.093 -42.445 -2.290 1.00 0.00 C ATOM 0 H ALA A 80 48.884 -41.705 -3.073 1.00 0.00 H new ATOM 0 HA ALA A 80 50.018 -44.252 -2.687 1.00 0.00 H new ATOM 0 HB1 ALA A 80 51.946 -42.952 -1.838 1.00 0.00 H new ATOM 0 HB2 ALA A 80 51.295 -42.265 -3.346 1.00 0.00 H new ATOM 0 HB3 ALA A 80 50.927 -41.493 -1.785 1.00 0.00 H new ATOM 1254 N ARG A 81 48.840 -42.802 -0.021 1.00 0.00 N ATOM 1255 CA ARG A 81 48.503 -43.020 1.382 1.00 0.00 C ATOM 1256 C ARG A 81 47.353 -44.002 1.513 1.00 0.00 C ATOM 1257 O ARG A 81 47.196 -44.663 2.539 1.00 0.00 O ATOM 1258 CB ARG A 81 48.144 -41.704 2.071 1.00 0.00 C ATOM 1259 CG ARG A 81 49.350 -40.851 2.416 1.00 0.00 C ATOM 1260 CD ARG A 81 48.941 -39.622 3.206 1.00 0.00 C ATOM 1261 NE ARG A 81 50.095 -38.922 3.764 1.00 0.00 N ATOM 1262 CZ ARG A 81 50.024 -38.064 4.777 1.00 0.00 C ATOM 1263 NH1 ARG A 81 48.852 -37.788 5.335 1.00 0.00 N ATOM 1264 NH2 ARG A 81 51.121 -37.477 5.228 1.00 0.00 N ATOM 0 H ARG A 81 48.441 -41.955 -0.425 1.00 0.00 H new ATOM 0 HA ARG A 81 49.382 -43.440 1.872 1.00 0.00 H new ATOM 0 HB2 ARG A 81 47.479 -41.133 1.422 1.00 0.00 H new ATOM 0 HB3 ARG A 81 47.590 -41.921 2.984 1.00 0.00 H new ATOM 0 HG2 ARG A 81 50.062 -41.439 2.995 1.00 0.00 H new ATOM 0 HG3 ARG A 81 49.858 -40.547 1.501 1.00 0.00 H new ATOM 0 HD2 ARG A 81 48.384 -38.944 2.559 1.00 0.00 H new ATOM 0 HD3 ARG A 81 48.270 -39.916 4.013 1.00 0.00 H new ATOM 0 HE ARG A 81 51.010 -39.102 3.352 1.00 0.00 H new ATOM 0 HH11 ARG A 81 48.004 -38.234 4.987 1.00 0.00 H new ATOM 0 HH12 ARG A 81 48.800 -37.129 6.112 1.00 0.00 H new ATOM 0 HH21 ARG A 81 52.023 -37.683 4.798 1.00 0.00 H new ATOM 0 HH22 ARG A 81 51.065 -36.819 6.005 1.00 0.00 H new ATOM 1278 N THR A 82 46.563 -44.102 0.460 1.00 0.00 N ATOM 1279 CA THR A 82 45.441 -45.027 0.427 1.00 0.00 C ATOM 1280 C THR A 82 45.951 -46.464 0.280 1.00 0.00 C ATOM 1281 O THR A 82 45.228 -47.430 0.528 1.00 0.00 O ATOM 1282 CB THR A 82 44.495 -44.688 -0.742 1.00 0.00 C ATOM 1283 OG1 THR A 82 44.357 -43.266 -0.853 1.00 0.00 O ATOM 1284 CG2 THR A 82 43.121 -45.316 -0.546 1.00 0.00 C ATOM 0 H THR A 82 46.678 -43.550 -0.390 1.00 0.00 H new ATOM 0 HA THR A 82 44.889 -44.935 1.362 1.00 0.00 H new ATOM 0 HB THR A 82 44.929 -45.094 -1.656 1.00 0.00 H new ATOM 0 HG1 THR A 82 43.757 -43.053 -1.598 1.00 0.00 H new ATOM 0 HG21 THR A 82 42.479 -45.057 -1.388 1.00 0.00 H new ATOM 0 HG22 THR A 82 43.221 -46.400 -0.486 1.00 0.00 H new ATOM 0 HG23 THR A 82 42.678 -44.941 0.377 1.00 0.00 H new ATOM 1292 N ARG A 83 47.210 -46.586 -0.121 1.00 0.00 N ATOM 1293 CA ARG A 83 47.851 -47.882 -0.265 1.00 0.00 C ATOM 1294 C ARG A 83 48.576 -48.233 1.028 1.00 0.00 C ATOM 1295 O ARG A 83 49.119 -47.353 1.696 1.00 0.00 O ATOM 1296 CB ARG A 83 48.844 -47.860 -1.430 1.00 0.00 C ATOM 1297 CG ARG A 83 49.410 -49.226 -1.778 1.00 0.00 C ATOM 1298 CD ARG A 83 50.496 -49.122 -2.835 1.00 0.00 C ATOM 1299 NE ARG A 83 50.922 -50.435 -3.314 1.00 0.00 N ATOM 1300 CZ ARG A 83 52.143 -50.705 -3.772 1.00 0.00 C ATOM 1301 NH1 ARG A 83 53.096 -49.778 -3.743 1.00 0.00 N ATOM 1302 NH2 ARG A 83 52.425 -51.917 -4.225 1.00 0.00 N ATOM 0 H ARG A 83 47.810 -45.794 -0.353 1.00 0.00 H new ATOM 0 HA ARG A 83 47.090 -48.634 -0.473 1.00 0.00 H new ATOM 0 HB2 ARG A 83 48.349 -47.447 -2.309 1.00 0.00 H new ATOM 0 HB3 ARG A 83 49.666 -47.189 -1.182 1.00 0.00 H new ATOM 0 HG2 ARG A 83 49.817 -49.693 -0.881 1.00 0.00 H new ATOM 0 HG3 ARG A 83 48.610 -49.872 -2.139 1.00 0.00 H new ATOM 0 HD2 ARG A 83 50.129 -48.531 -3.675 1.00 0.00 H new ATOM 0 HD3 ARG A 83 51.354 -48.591 -2.422 1.00 0.00 H new ATOM 0 HE ARG A 83 50.240 -51.194 -3.296 1.00 0.00 H new ATOM 0 HH11 ARG A 83 52.895 -48.851 -3.368 1.00 0.00 H new ATOM 0 HH12 ARG A 83 54.028 -49.994 -4.096 1.00 0.00 H new ATOM 0 HH21 ARG A 83 51.708 -52.642 -4.223 1.00 0.00 H new ATOM 0 HH22 ARG A 83 53.360 -52.126 -4.576 1.00 0.00 H new ATOM 1316 N HIS A 84 48.586 -49.509 1.380 1.00 0.00 N ATOM 1317 CA HIS A 84 49.225 -49.949 2.608 1.00 0.00 C ATOM 1318 C HIS A 84 50.205 -51.085 2.328 1.00 0.00 C ATOM 1319 O HIS A 84 49.807 -52.249 2.252 1.00 0.00 O ATOM 1320 CB HIS A 84 48.167 -50.397 3.623 1.00 0.00 C ATOM 1321 CG HIS A 84 48.694 -50.570 5.009 1.00 0.00 C ATOM 1322 ND1 HIS A 84 48.628 -49.577 5.956 1.00 0.00 N ATOM 1323 CD2 HIS A 84 49.287 -51.626 5.614 1.00 0.00 C ATOM 1324 CE1 HIS A 84 49.155 -50.007 7.082 1.00 0.00 C ATOM 1325 NE2 HIS A 84 49.561 -51.248 6.902 1.00 0.00 N ATOM 0 H HIS A 84 48.159 -50.257 0.833 1.00 0.00 H new ATOM 0 HA HIS A 84 49.782 -49.111 3.027 1.00 0.00 H new ATOM 0 HB2 HIS A 84 47.361 -49.664 3.640 1.00 0.00 H new ATOM 0 HB3 HIS A 84 47.734 -51.340 3.289 1.00 0.00 H new ATOM 0 HD2 HIS A 84 49.503 -52.585 5.166 1.00 0.00 H new ATOM 0 HE1 HIS A 84 49.240 -49.440 7.997 1.00 0.00 H new ATOM 0 HE2 HIS A 84 50.008 -51.833 7.608 1.00 0.00 H new ATOM 1334 N PRO A 85 51.493 -50.758 2.138 1.00 0.00 N ATOM 1335 CA PRO A 85 52.537 -51.756 1.900 1.00 0.00 C ATOM 1336 C PRO A 85 53.023 -52.401 3.199 1.00 0.00 C ATOM 1337 O PRO A 85 52.547 -52.057 4.286 1.00 0.00 O ATOM 1338 CB PRO A 85 53.650 -50.931 1.258 1.00 0.00 C ATOM 1339 CG PRO A 85 53.505 -49.574 1.856 1.00 0.00 C ATOM 1340 CD PRO A 85 52.036 -49.383 2.133 1.00 0.00 C ATOM 0 HA PRO A 85 52.191 -52.587 1.286 1.00 0.00 H new ATOM 0 HB2 PRO A 85 54.631 -51.355 1.471 1.00 0.00 H new ATOM 0 HB3 PRO A 85 53.545 -50.900 0.174 1.00 0.00 H new ATOM 0 HG2 PRO A 85 54.087 -49.490 2.774 1.00 0.00 H new ATOM 0 HG3 PRO A 85 53.874 -48.808 1.174 1.00 0.00 H new ATOM 0 HD2 PRO A 85 51.871 -48.885 3.088 1.00 0.00 H new ATOM 0 HD3 PRO A 85 51.562 -48.769 1.367 1.00 0.00 H new ATOM 1348 N ALA A 86 53.968 -53.328 3.083 1.00 0.00 N ATOM 1349 CA ALA A 86 54.509 -54.023 4.247 1.00 0.00 C ATOM 1350 C ALA A 86 55.801 -54.759 3.906 1.00 0.00 C ATOM 1351 O ALA A 86 55.830 -55.616 3.024 1.00 0.00 O ATOM 1352 CB ALA A 86 53.484 -55.002 4.810 1.00 0.00 C ATOM 0 H ALA A 86 54.376 -53.616 2.194 1.00 0.00 H new ATOM 0 HA ALA A 86 54.736 -53.271 5.003 1.00 0.00 H new ATOM 0 HB1 ALA A 86 53.905 -55.511 5.677 1.00 0.00 H new ATOM 0 HB2 ALA A 86 52.587 -54.459 5.108 1.00 0.00 H new ATOM 0 HB3 ALA A 86 53.226 -55.737 4.048 1.00 0.00 H new ATOM 1358 N GLU A 87 56.873 -54.417 4.605 1.00 0.00 N ATOM 1359 CA GLU A 87 58.139 -55.121 4.458 1.00 0.00 C ATOM 1360 C GLU A 87 58.089 -56.437 5.234 1.00 0.00 C ATOM 1361 O GLU A 87 58.812 -57.388 4.928 1.00 0.00 O ATOM 1362 CB GLU A 87 59.318 -54.254 4.941 1.00 0.00 C ATOM 1363 CG GLU A 87 59.237 -53.816 6.400 1.00 0.00 C ATOM 1364 CD GLU A 87 58.272 -52.668 6.632 1.00 0.00 C ATOM 1365 OE1 GLU A 87 57.058 -52.923 6.773 1.00 0.00 O ATOM 1366 OE2 GLU A 87 58.721 -51.505 6.670 1.00 0.00 O ATOM 0 H GLU A 87 56.892 -53.654 5.282 1.00 0.00 H new ATOM 0 HA GLU A 87 58.296 -55.333 3.401 1.00 0.00 H new ATOM 0 HB2 GLU A 87 60.244 -54.811 4.795 1.00 0.00 H new ATOM 0 HB3 GLU A 87 59.378 -53.365 4.313 1.00 0.00 H new ATOM 0 HG2 GLU A 87 58.932 -54.666 7.010 1.00 0.00 H new ATOM 0 HG3 GLU A 87 60.230 -53.520 6.739 1.00 0.00 H new ATOM 1373 N SER A 88 57.201 -56.489 6.222 1.00 0.00 N ATOM 1374 CA SER A 88 57.083 -57.641 7.105 1.00 0.00 C ATOM 1375 C SER A 88 56.553 -58.870 6.368 1.00 0.00 C ATOM 1376 O SER A 88 56.945 -59.999 6.671 1.00 0.00 O ATOM 1377 CB SER A 88 56.176 -57.281 8.281 1.00 0.00 C ATOM 1378 OG SER A 88 55.032 -56.569 7.831 1.00 0.00 O ATOM 0 H SER A 88 56.546 -55.736 6.431 1.00 0.00 H new ATOM 0 HA SER A 88 58.076 -57.898 7.474 1.00 0.00 H new ATOM 0 HB2 SER A 88 55.866 -58.189 8.799 1.00 0.00 H new ATOM 0 HB3 SER A 88 56.728 -56.676 9.001 1.00 0.00 H new ATOM 0 HG SER A 88 54.462 -56.348 8.597 1.00 0.00 H new ATOM 1384 N CYS A 89 55.676 -58.655 5.391 1.00 0.00 N ATOM 1385 CA CYS A 89 55.113 -59.766 4.632 1.00 0.00 C ATOM 1386 C CYS A 89 56.114 -60.290 3.610 1.00 0.00 C ATOM 1387 O CYS A 89 56.063 -61.453 3.213 1.00 0.00 O ATOM 1388 CB CYS A 89 53.806 -59.355 3.949 1.00 0.00 C ATOM 1389 SG CYS A 89 53.944 -57.912 2.863 1.00 0.00 S ATOM 0 H CYS A 89 55.343 -57.733 5.109 1.00 0.00 H new ATOM 0 HA CYS A 89 54.891 -60.571 5.332 1.00 0.00 H new ATOM 0 HB2 CYS A 89 53.435 -60.198 3.366 1.00 0.00 H new ATOM 0 HB3 CYS A 89 53.061 -59.146 4.716 1.00 0.00 H new ATOM 0 HG CYS A 89 54.901 -57.140 3.286 1.00 0.00 H new ATOM 1395 N LEU A 90 57.028 -59.426 3.199 1.00 0.00 N ATOM 1396 CA LEU A 90 58.095 -59.821 2.291 1.00 0.00 C ATOM 1397 C LEU A 90 59.041 -60.779 3.007 1.00 0.00 C ATOM 1398 O LEU A 90 59.497 -61.770 2.434 1.00 0.00 O ATOM 1399 CB LEU A 90 58.859 -58.589 1.793 1.00 0.00 C ATOM 1400 CG LEU A 90 59.963 -58.874 0.769 1.00 0.00 C ATOM 1401 CD1 LEU A 90 59.378 -59.481 -0.499 1.00 0.00 C ATOM 1402 CD2 LEU A 90 60.731 -57.599 0.447 1.00 0.00 C ATOM 0 H LEU A 90 57.053 -58.446 3.479 1.00 0.00 H new ATOM 0 HA LEU A 90 57.661 -60.324 1.427 1.00 0.00 H new ATOM 0 HB2 LEU A 90 58.146 -57.894 1.350 1.00 0.00 H new ATOM 0 HB3 LEU A 90 59.303 -58.086 2.652 1.00 0.00 H new ATOM 0 HG LEU A 90 60.656 -59.595 1.203 1.00 0.00 H new ATOM 0 HD11 LEU A 90 60.179 -59.675 -1.212 1.00 0.00 H new ATOM 0 HD12 LEU A 90 58.874 -60.416 -0.256 1.00 0.00 H new ATOM 0 HD13 LEU A 90 58.662 -58.786 -0.938 1.00 0.00 H new ATOM 0 HD21 LEU A 90 61.511 -57.819 -0.282 1.00 0.00 H new ATOM 0 HD22 LEU A 90 60.048 -56.857 0.034 1.00 0.00 H new ATOM 0 HD23 LEU A 90 61.185 -57.208 1.358 1.00 0.00 H new ATOM 1414 N GLU A 91 59.314 -60.474 4.269 1.00 0.00 N ATOM 1415 CA GLU A 91 60.128 -61.336 5.118 1.00 0.00 C ATOM 1416 C GLU A 91 59.362 -62.625 5.417 1.00 0.00 C ATOM 1417 O GLU A 91 59.880 -63.724 5.222 1.00 0.00 O ATOM 1418 CB GLU A 91 60.472 -60.590 6.417 1.00 0.00 C ATOM 1419 CG GLU A 91 61.687 -61.126 7.170 1.00 0.00 C ATOM 1420 CD GLU A 91 61.438 -62.449 7.865 1.00 0.00 C ATOM 1421 OE1 GLU A 91 60.575 -62.495 8.772 1.00 0.00 O ATOM 1422 OE2 GLU A 91 62.096 -63.453 7.498 1.00 0.00 O ATOM 0 H GLU A 91 58.980 -59.628 4.731 1.00 0.00 H new ATOM 0 HA GLU A 91 61.056 -61.595 4.609 1.00 0.00 H new ATOM 0 HB2 GLU A 91 60.645 -59.540 6.180 1.00 0.00 H new ATOM 0 HB3 GLU A 91 59.607 -60.629 7.080 1.00 0.00 H new ATOM 0 HG2 GLU A 91 62.514 -61.243 6.470 1.00 0.00 H new ATOM 0 HG3 GLU A 91 61.998 -60.389 7.911 1.00 0.00 H new ATOM 1429 N HIS A 92 58.122 -62.458 5.890 1.00 0.00 N ATOM 1430 CA HIS A 92 57.180 -63.564 6.182 1.00 0.00 C ATOM 1431 C HIS A 92 57.806 -64.683 7.024 1.00 0.00 C ATOM 1432 O HIS A 92 57.334 -65.820 7.011 1.00 0.00 O ATOM 1433 CB HIS A 92 56.538 -64.131 4.893 1.00 0.00 C ATOM 1434 CG HIS A 92 57.454 -64.897 3.976 1.00 0.00 C ATOM 1435 ND1 HIS A 92 58.123 -64.319 2.919 1.00 0.00 N ATOM 1436 CD2 HIS A 92 57.787 -66.210 3.949 1.00 0.00 C ATOM 1437 CE1 HIS A 92 58.818 -65.243 2.283 1.00 0.00 C ATOM 1438 NE2 HIS A 92 58.633 -66.402 2.887 1.00 0.00 N ATOM 0 H HIS A 92 57.730 -61.537 6.087 1.00 0.00 H new ATOM 0 HA HIS A 92 56.388 -63.124 6.788 1.00 0.00 H new ATOM 0 HB2 HIS A 92 55.715 -64.785 5.179 1.00 0.00 H new ATOM 0 HB3 HIS A 92 56.106 -63.302 4.332 1.00 0.00 H new ATOM 0 HD1 HIS A 92 58.087 -63.331 2.667 1.00 0.00 H new ATOM 0 HD2 HIS A 92 57.448 -66.968 4.639 1.00 0.00 H new ATOM 0 HE1 HIS A 92 59.436 -65.078 1.413 1.00 0.00 H new ATOM 1447 N HIS A 93 58.843 -64.331 7.773 1.00 0.00 N ATOM 1448 CA HIS A 93 59.505 -65.233 8.715 1.00 0.00 C ATOM 1449 C HIS A 93 60.181 -66.406 8.025 1.00 0.00 C ATOM 1450 O HIS A 93 59.558 -67.427 7.730 1.00 0.00 O ATOM 1451 CB HIS A 93 58.538 -65.716 9.795 1.00 0.00 C ATOM 1452 CG HIS A 93 58.069 -64.613 10.694 1.00 0.00 C ATOM 1453 ND1 HIS A 93 58.611 -63.341 10.676 1.00 0.00 N ATOM 1454 CD2 HIS A 93 57.093 -64.588 11.631 1.00 0.00 C ATOM 1455 CE1 HIS A 93 57.986 -62.586 11.560 1.00 0.00 C ATOM 1456 NE2 HIS A 93 57.059 -63.318 12.155 1.00 0.00 N ATOM 0 H HIS A 93 59.256 -63.399 7.745 1.00 0.00 H new ATOM 0 HA HIS A 93 60.293 -64.653 9.196 1.00 0.00 H new ATOM 0 HB2 HIS A 93 57.675 -66.183 9.320 1.00 0.00 H new ATOM 0 HB3 HIS A 93 59.026 -66.484 10.395 1.00 0.00 H new ATOM 0 HD1 HIS A 93 59.375 -63.034 10.074 1.00 0.00 H new ATOM 0 HD2 HIS A 93 56.458 -65.414 11.915 1.00 0.00 H new ATOM 0 HE1 HIS A 93 58.196 -61.546 11.763 1.00 0.00 H new ATOM 1465 N HIS A 94 61.469 -66.237 7.762 1.00 0.00 N ATOM 1466 CA HIS A 94 62.299 -67.320 7.245 1.00 0.00 C ATOM 1467 C HIS A 94 62.672 -68.269 8.378 1.00 0.00 C ATOM 1468 O HIS A 94 63.004 -69.432 8.154 1.00 0.00 O ATOM 1469 CB HIS A 94 63.560 -66.763 6.576 1.00 0.00 C ATOM 1470 CG HIS A 94 63.291 -66.010 5.312 1.00 0.00 C ATOM 1471 ND1 HIS A 94 62.846 -64.707 5.295 1.00 0.00 N ATOM 1472 CD2 HIS A 94 63.413 -66.379 4.016 1.00 0.00 C ATOM 1473 CE1 HIS A 94 62.708 -64.309 4.047 1.00 0.00 C ATOM 1474 NE2 HIS A 94 63.042 -65.303 3.248 1.00 0.00 N ATOM 0 H HIS A 94 61.965 -65.356 7.898 1.00 0.00 H new ATOM 0 HA HIS A 94 61.732 -67.869 6.493 1.00 0.00 H new ATOM 0 HB2 HIS A 94 64.072 -66.105 7.278 1.00 0.00 H new ATOM 0 HB3 HIS A 94 64.239 -67.587 6.359 1.00 0.00 H new ATOM 0 HD1 HIS A 94 62.653 -64.139 6.120 1.00 0.00 H new ATOM 0 HD2 HIS A 94 63.741 -67.342 3.653 1.00 0.00 H new ATOM 0 HE1 HIS A 94 62.376 -63.331 3.731 1.00 0.00 H new ATOM 1483 N HIS A 95 62.619 -67.752 9.599 1.00 0.00 N ATOM 1484 CA HIS A 95 62.799 -68.565 10.793 1.00 0.00 C ATOM 1485 C HIS A 95 61.471 -69.242 11.134 1.00 0.00 C ATOM 1486 O HIS A 95 60.411 -68.693 10.825 1.00 0.00 O ATOM 1487 CB HIS A 95 63.281 -67.690 11.962 1.00 0.00 C ATOM 1488 CG HIS A 95 63.472 -68.432 13.256 1.00 0.00 C ATOM 1489 ND1 HIS A 95 62.542 -68.415 14.275 1.00 0.00 N ATOM 1490 CD2 HIS A 95 64.486 -69.218 13.694 1.00 0.00 C ATOM 1491 CE1 HIS A 95 62.978 -69.147 15.283 1.00 0.00 C ATOM 1492 NE2 HIS A 95 64.150 -69.647 14.954 1.00 0.00 N ATOM 0 H HIS A 95 62.451 -66.764 9.788 1.00 0.00 H new ATOM 0 HA HIS A 95 63.556 -69.328 10.611 1.00 0.00 H new ATOM 0 HB2 HIS A 95 64.225 -67.221 11.684 1.00 0.00 H new ATOM 0 HB3 HIS A 95 62.561 -66.888 12.120 1.00 0.00 H new ATOM 0 HD2 HIS A 95 65.389 -69.461 13.153 1.00 0.00 H new ATOM 0 HE1 HIS A 95 62.461 -69.308 16.218 1.00 0.00 H new ATOM 0 HE2 HIS A 95 64.719 -70.257 15.542 1.00 0.00 H new ATOM 1501 N HIS A 96 61.542 -70.420 11.761 1.00 0.00 N ATOM 1502 CA HIS A 96 60.357 -71.217 12.086 1.00 0.00 C ATOM 1503 C HIS A 96 59.812 -71.876 10.823 1.00 0.00 C ATOM 1504 O HIS A 96 59.097 -71.262 10.029 1.00 0.00 O ATOM 1505 CB HIS A 96 59.285 -70.372 12.803 1.00 0.00 C ATOM 1506 CG HIS A 96 57.913 -70.984 12.826 1.00 0.00 C ATOM 1507 ND1 HIS A 96 57.626 -72.196 13.415 1.00 0.00 N ATOM 1508 CD2 HIS A 96 56.746 -70.537 12.307 1.00 0.00 C ATOM 1509 CE1 HIS A 96 56.343 -72.465 13.258 1.00 0.00 C ATOM 1510 NE2 HIS A 96 55.789 -71.474 12.590 1.00 0.00 N ATOM 0 H HIS A 96 62.420 -70.846 12.057 1.00 0.00 H new ATOM 0 HA HIS A 96 60.647 -72.003 12.783 1.00 0.00 H new ATOM 0 HB2 HIS A 96 59.607 -70.197 13.830 1.00 0.00 H new ATOM 0 HB3 HIS A 96 59.225 -69.398 12.317 1.00 0.00 H new ATOM 0 HD2 HIS A 96 56.597 -69.612 11.769 1.00 0.00 H new ATOM 0 HE1 HIS A 96 55.834 -73.348 13.616 1.00 0.00 H new ATOM 0 HE2 HIS A 96 54.806 -71.414 12.326 1.00 0.00 H new ATOM 1519 N HIS A 97 60.190 -73.128 10.643 1.00 0.00 N ATOM 1520 CA HIS A 97 59.802 -73.892 9.473 1.00 0.00 C ATOM 1521 C HIS A 97 59.213 -75.227 9.897 1.00 0.00 C ATOM 1522 O HIS A 97 57.986 -75.397 9.797 1.00 0.00 O ATOM 1523 CB HIS A 97 61.014 -74.111 8.563 1.00 0.00 C ATOM 1524 CG HIS A 97 60.707 -74.855 7.295 1.00 0.00 C ATOM 1525 ND1 HIS A 97 60.705 -76.232 7.206 1.00 0.00 N ATOM 1526 CD2 HIS A 97 60.412 -74.402 6.055 1.00 0.00 C ATOM 1527 CE1 HIS A 97 60.425 -76.589 5.968 1.00 0.00 C ATOM 1528 NE2 HIS A 97 60.245 -75.500 5.244 1.00 0.00 N ATOM 1529 OXT HIS A 97 59.991 -76.099 10.346 1.00 0.00 O ATOM 0 H HIS A 97 60.773 -73.643 11.303 1.00 0.00 H new ATOM 0 HA HIS A 97 59.046 -73.335 8.920 1.00 0.00 H new ATOM 0 HB2 HIS A 97 61.442 -73.142 8.307 1.00 0.00 H new ATOM 0 HB3 HIS A 97 61.776 -74.659 9.117 1.00 0.00 H new ATOM 0 HD2 HIS A 97 60.324 -73.368 5.757 1.00 0.00 H new ATOM 0 HE1 HIS A 97 60.355 -77.604 5.606 1.00 0.00 H new ATOM 0 HE2 HIS A 97 60.020 -75.477 4.249 1.00 0.00 H new TER 1538 HIS A 97