USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 843 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 62 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 65 LYS NZ :NH3+ 153:sc= -0.697 (180deg=-1.37) USER MOD Set 2.1: A 56 ASN : amide:sc= -0.257 X(o=-0.26,f=-0.066) USER MOD Set 2.2: A 58 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.754) USER MOD Set 3.1: A 19 THR OG1 : rot 34:sc= -3.87! USER MOD Set 3.2: A 24 THR OG1 : rot -160:sc= -0.337 USER MOD Set 4.1: A 14 TYR OH : rot 180:sc= 0.00702 USER MOD Set 4.2: A 16 SER OG : rot 111:sc= 0.00747 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 24:sc= 1.16 USER MOD Single : A 3 SER OG : rot 7:sc= 0.782 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0365 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc=-0.00692 X(o=-0.0069,f=-0.2) USER MOD Single : A 22 TYR OH : rot 180:sc= -0.0632 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 CYS SG : rot -140:sc= -0.872 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 CYS SG : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc= -2.64! C(o=-2.6!,f=-6.4!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -0.282 X(o=-0.28,f=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot -66:sc= 0.614 USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= -0.6 USER MOD Single : A 84 HIS : no HD1:sc= -0.0274 X(o=-0.027,f=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -6.42! C(o=-6.4!,f=-5.5!) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl -124:sc= -0.395 (180deg=-5.19!) USER MOD Single : A 95 GLN : amide:sc= -0.0324 K(o=-0.032,f=-1.8!) USER MOD Single : A 96 GLN : amide:sc= -2.31! X(o=-2.3!,f=-2.1) USER MOD Single : A 101 ASN : amide:sc= -5.27 K(o=-5.3,f=-11!) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ -127:sc= 0.108 (180deg=-0.197) USER MOD Single : A 106 THR OG1 : rot 180:sc= -0.97 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.965 32.892 -2.999 1.00 0.00 N ATOM 2 CA GLY A 1 20.159 31.581 -2.409 1.00 0.00 C ATOM 3 C GLY A 1 19.776 30.458 -3.352 1.00 0.00 C ATOM 4 O GLY A 1 18.611 30.319 -3.723 1.00 0.00 O ATOM 0 H1 GLY A 1 20.241 33.625 -2.315 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.551 32.978 -3.854 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.964 33.014 -3.252 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.204 31.467 -2.119 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.565 31.505 -1.498 1.00 0.00 H new ATOM 8 N SER A 2 20.760 29.654 -3.743 1.00 0.00 N ATOM 9 CA SER A 2 20.522 28.541 -4.654 1.00 0.00 C ATOM 10 C SER A 2 21.680 27.549 -4.615 1.00 0.00 C ATOM 11 O SER A 2 22.842 27.928 -4.763 1.00 0.00 O ATOM 12 CB SER A 2 20.324 29.055 -6.081 1.00 0.00 C ATOM 13 OG SER A 2 18.995 29.504 -6.282 1.00 0.00 O ATOM 0 H SER A 2 21.730 29.753 -3.443 1.00 0.00 H new ATOM 0 HA SER A 2 19.616 28.028 -4.331 1.00 0.00 H new ATOM 0 HB2 SER A 2 21.020 29.871 -6.277 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.554 28.261 -6.792 1.00 0.00 H new ATOM 0 HG SER A 2 18.600 29.753 -5.420 1.00 0.00 H new ATOM 19 N SER A 3 21.355 26.276 -4.414 1.00 0.00 N ATOM 20 CA SER A 3 22.367 25.229 -4.351 1.00 0.00 C ATOM 21 C SER A 3 21.725 23.847 -4.420 1.00 0.00 C ATOM 22 O SER A 3 20.916 23.483 -3.567 1.00 0.00 O ATOM 23 CB SER A 3 23.187 25.359 -3.066 1.00 0.00 C ATOM 24 OG SER A 3 22.430 24.964 -1.936 1.00 0.00 O ATOM 0 H SER A 3 20.398 25.945 -4.292 1.00 0.00 H new ATOM 0 HA SER A 3 23.029 25.346 -5.209 1.00 0.00 H new ATOM 0 HB2 SER A 3 24.084 24.744 -3.140 1.00 0.00 H new ATOM 0 HB3 SER A 3 23.517 26.391 -2.944 1.00 0.00 H new ATOM 0 HG SER A 3 21.575 24.588 -2.231 1.00 0.00 H new ATOM 30 N GLY A 4 22.092 23.080 -5.442 1.00 0.00 N ATOM 31 CA GLY A 4 21.542 21.747 -5.605 1.00 0.00 C ATOM 32 C GLY A 4 22.556 20.765 -6.159 1.00 0.00 C ATOM 33 O GLY A 4 23.662 21.152 -6.537 1.00 0.00 O ATOM 0 H GLY A 4 22.761 23.358 -6.160 1.00 0.00 H new ATOM 0 HA2 GLY A 4 21.180 21.386 -4.642 1.00 0.00 H new ATOM 0 HA3 GLY A 4 20.682 21.791 -6.273 1.00 0.00 H new ATOM 37 N SER A 5 22.180 19.491 -6.205 1.00 0.00 N ATOM 38 CA SER A 5 23.066 18.450 -6.712 1.00 0.00 C ATOM 39 C SER A 5 23.172 18.519 -8.232 1.00 0.00 C ATOM 40 O SER A 5 22.523 19.345 -8.874 1.00 0.00 O ATOM 41 CB SER A 5 22.563 17.070 -6.286 1.00 0.00 C ATOM 42 OG SER A 5 22.754 16.864 -4.897 1.00 0.00 O ATOM 0 H SER A 5 21.267 19.155 -5.897 1.00 0.00 H new ATOM 0 HA SER A 5 24.057 18.614 -6.289 1.00 0.00 H new ATOM 0 HB2 SER A 5 21.505 16.974 -6.529 1.00 0.00 H new ATOM 0 HB3 SER A 5 23.090 16.298 -6.847 1.00 0.00 H new ATOM 0 HG SER A 5 22.423 15.975 -4.649 1.00 0.00 H new ATOM 48 N SER A 6 23.994 17.644 -8.802 1.00 0.00 N ATOM 49 CA SER A 6 24.188 17.607 -10.247 1.00 0.00 C ATOM 50 C SER A 6 23.797 16.245 -10.813 1.00 0.00 C ATOM 51 O SER A 6 23.710 15.259 -10.083 1.00 0.00 O ATOM 52 CB SER A 6 25.646 17.916 -10.595 1.00 0.00 C ATOM 53 OG SER A 6 25.833 17.977 -11.999 1.00 0.00 O ATOM 0 H SER A 6 24.536 16.951 -8.286 1.00 0.00 H new ATOM 0 HA SER A 6 23.546 18.366 -10.694 1.00 0.00 H new ATOM 0 HB2 SER A 6 25.938 18.865 -10.144 1.00 0.00 H new ATOM 0 HB3 SER A 6 26.295 17.149 -10.171 1.00 0.00 H new ATOM 0 HG SER A 6 26.772 18.177 -12.196 1.00 0.00 H new ATOM 59 N GLY A 7 23.560 16.200 -12.121 1.00 0.00 N ATOM 60 CA GLY A 7 23.180 14.956 -12.763 1.00 0.00 C ATOM 61 C GLY A 7 24.199 14.498 -13.788 1.00 0.00 C ATOM 62 O GLY A 7 25.312 15.020 -13.842 1.00 0.00 O ATOM 0 H GLY A 7 23.625 17.003 -12.747 1.00 0.00 H new ATOM 0 HA2 GLY A 7 23.058 14.182 -12.005 1.00 0.00 H new ATOM 0 HA3 GLY A 7 22.212 15.082 -13.248 1.00 0.00 H new ATOM 66 N MET A 8 23.818 13.519 -14.602 1.00 0.00 N ATOM 67 CA MET A 8 24.708 12.990 -15.630 1.00 0.00 C ATOM 68 C MET A 8 24.026 12.996 -16.994 1.00 0.00 C ATOM 69 O MET A 8 24.510 13.620 -17.939 1.00 0.00 O ATOM 70 CB MET A 8 25.148 11.569 -15.272 1.00 0.00 C ATOM 71 CG MET A 8 25.997 11.495 -14.014 1.00 0.00 C ATOM 72 SD MET A 8 26.072 9.831 -13.324 1.00 0.00 S ATOM 73 CE MET A 8 27.801 9.732 -12.865 1.00 0.00 C ATOM 0 H MET A 8 22.900 13.076 -14.570 1.00 0.00 H new ATOM 0 HA MET A 8 25.587 13.632 -15.680 1.00 0.00 H new ATOM 0 HB2 MET A 8 24.263 10.946 -15.141 1.00 0.00 H new ATOM 0 HB3 MET A 8 25.712 11.151 -16.106 1.00 0.00 H new ATOM 0 HG2 MET A 8 27.007 11.836 -14.241 1.00 0.00 H new ATOM 0 HG3 MET A 8 25.592 12.176 -13.266 1.00 0.00 H new ATOM 0 HE1 MET A 8 28.005 8.757 -12.422 1.00 0.00 H new ATOM 0 HE2 MET A 8 28.421 9.864 -13.752 1.00 0.00 H new ATOM 0 HE3 MET A 8 28.031 10.514 -12.142 1.00 0.00 H new ATOM 83 N ASP A 9 22.900 12.297 -17.091 1.00 0.00 N ATOM 84 CA ASP A 9 22.151 12.222 -18.340 1.00 0.00 C ATOM 85 C ASP A 9 20.672 11.963 -18.072 1.00 0.00 C ATOM 86 O ASP A 9 20.304 10.934 -17.506 1.00 0.00 O ATOM 87 CB ASP A 9 22.720 11.120 -19.235 1.00 0.00 C ATOM 88 CG ASP A 9 22.304 11.280 -20.684 1.00 0.00 C ATOM 89 OD1 ASP A 9 21.190 11.787 -20.929 1.00 0.00 O ATOM 90 OD2 ASP A 9 23.093 10.896 -21.574 1.00 0.00 O ATOM 0 H ASP A 9 22.486 11.774 -16.319 1.00 0.00 H new ATOM 0 HA ASP A 9 22.247 13.180 -18.851 1.00 0.00 H new ATOM 0 HB2 ASP A 9 23.808 11.128 -19.169 1.00 0.00 H new ATOM 0 HB3 ASP A 9 22.385 10.149 -18.869 1.00 0.00 H new ATOM 95 N ALA A 10 19.828 12.905 -18.480 1.00 0.00 N ATOM 96 CA ALA A 10 18.389 12.779 -18.285 1.00 0.00 C ATOM 97 C ALA A 10 17.681 12.476 -19.601 1.00 0.00 C ATOM 98 O ALA A 10 16.582 12.970 -19.854 1.00 0.00 O ATOM 99 CB ALA A 10 17.827 14.048 -17.662 1.00 0.00 C ATOM 0 H ALA A 10 20.116 13.764 -18.948 1.00 0.00 H new ATOM 0 HA ALA A 10 18.212 11.945 -17.606 1.00 0.00 H new ATOM 0 HB1 ALA A 10 16.751 13.939 -17.522 1.00 0.00 H new ATOM 0 HB2 ALA A 10 18.303 14.221 -16.697 1.00 0.00 H new ATOM 0 HB3 ALA A 10 18.024 14.894 -18.320 1.00 0.00 H new ATOM 105 N ILE A 11 18.318 11.662 -20.436 1.00 0.00 N ATOM 106 CA ILE A 11 17.748 11.293 -21.726 1.00 0.00 C ATOM 107 C ILE A 11 17.231 9.858 -21.709 1.00 0.00 C ATOM 108 O ILE A 11 17.992 8.915 -21.488 1.00 0.00 O ATOM 109 CB ILE A 11 18.780 11.441 -22.860 1.00 0.00 C ATOM 110 CG1 ILE A 11 19.345 12.863 -22.883 1.00 0.00 C ATOM 111 CG2 ILE A 11 18.147 11.096 -24.200 1.00 0.00 C ATOM 112 CD1 ILE A 11 18.359 13.897 -23.381 1.00 0.00 C ATOM 0 H ILE A 11 19.229 11.246 -20.242 1.00 0.00 H new ATOM 0 HA ILE A 11 16.917 11.974 -21.910 1.00 0.00 H new ATOM 0 HB ILE A 11 19.600 10.747 -22.677 1.00 0.00 H new ATOM 0 HG12 ILE A 11 19.666 13.134 -21.877 1.00 0.00 H new ATOM 0 HG13 ILE A 11 20.231 12.883 -23.517 1.00 0.00 H new ATOM 0 HG21 ILE A 11 18.888 11.205 -24.992 1.00 0.00 H new ATOM 0 HG22 ILE A 11 17.788 10.067 -24.179 1.00 0.00 H new ATOM 0 HG23 ILE A 11 17.311 11.768 -24.391 1.00 0.00 H new ATOM 0 HD11 ILE A 11 18.827 14.881 -23.370 1.00 0.00 H new ATOM 0 HD12 ILE A 11 18.056 13.650 -24.399 1.00 0.00 H new ATOM 0 HD13 ILE A 11 17.482 13.905 -22.733 1.00 0.00 H new ATOM 124 N LEU A 12 15.934 9.700 -21.945 1.00 0.00 N ATOM 125 CA LEU A 12 15.314 8.380 -21.959 1.00 0.00 C ATOM 126 C LEU A 12 14.090 8.362 -22.869 1.00 0.00 C ATOM 127 O LEU A 12 13.524 9.408 -23.185 1.00 0.00 O ATOM 128 CB LEU A 12 14.914 7.967 -20.541 1.00 0.00 C ATOM 129 CG LEU A 12 14.506 9.103 -19.601 1.00 0.00 C ATOM 130 CD1 LEU A 12 13.032 9.435 -19.774 1.00 0.00 C ATOM 131 CD2 LEU A 12 14.806 8.733 -18.156 1.00 0.00 C ATOM 0 H LEU A 12 15.291 10.470 -22.129 1.00 0.00 H new ATOM 0 HA LEU A 12 16.043 7.668 -22.347 1.00 0.00 H new ATOM 0 HB2 LEU A 12 14.085 7.263 -20.609 1.00 0.00 H new ATOM 0 HB3 LEU A 12 15.750 7.432 -20.090 1.00 0.00 H new ATOM 0 HG LEU A 12 15.089 9.988 -19.856 1.00 0.00 H new ATOM 0 HD11 LEU A 12 12.760 10.245 -19.097 1.00 0.00 H new ATOM 0 HD12 LEU A 12 12.847 9.744 -20.803 1.00 0.00 H new ATOM 0 HD13 LEU A 12 12.431 8.554 -19.546 1.00 0.00 H new ATOM 0 HD21 LEU A 12 14.509 9.553 -17.501 1.00 0.00 H new ATOM 0 HD22 LEU A 12 14.250 7.835 -17.887 1.00 0.00 H new ATOM 0 HD23 LEU A 12 15.874 8.546 -18.042 1.00 0.00 H new ATOM 143 N ASN A 13 13.687 7.167 -23.287 1.00 0.00 N ATOM 144 CA ASN A 13 12.529 7.012 -24.160 1.00 0.00 C ATOM 145 C ASN A 13 11.451 6.165 -23.490 1.00 0.00 C ATOM 146 O ASN A 13 10.715 5.438 -24.157 1.00 0.00 O ATOM 147 CB ASN A 13 12.945 6.372 -25.486 1.00 0.00 C ATOM 148 CG ASN A 13 13.652 5.045 -25.290 1.00 0.00 C ATOM 149 OD1 ASN A 13 14.842 5.003 -24.975 1.00 0.00 O ATOM 150 ND2 ASN A 13 12.921 3.952 -25.477 1.00 0.00 N ATOM 0 H ASN A 13 14.145 6.291 -23.035 1.00 0.00 H new ATOM 0 HA ASN A 13 12.118 8.003 -24.355 1.00 0.00 H new ATOM 0 HB2 ASN A 13 12.062 6.222 -26.107 1.00 0.00 H new ATOM 0 HB3 ASN A 13 13.602 7.054 -26.026 1.00 0.00 H new ATOM 0 HD21 ASN A 13 13.342 3.030 -25.360 1.00 0.00 H new ATOM 0 HD22 ASN A 13 11.938 4.034 -25.737 1.00 0.00 H new ATOM 157 N TYR A 14 11.365 6.266 -22.168 1.00 0.00 N ATOM 158 CA TYR A 14 10.378 5.508 -21.407 1.00 0.00 C ATOM 159 C TYR A 14 9.817 6.342 -20.260 1.00 0.00 C ATOM 160 O TYR A 14 10.566 6.957 -19.500 1.00 0.00 O ATOM 161 CB TYR A 14 11.003 4.223 -20.860 1.00 0.00 C ATOM 162 CG TYR A 14 10.090 3.453 -19.933 1.00 0.00 C ATOM 163 CD1 TYR A 14 10.089 3.699 -18.565 1.00 0.00 C ATOM 164 CD2 TYR A 14 9.227 2.481 -20.425 1.00 0.00 C ATOM 165 CE1 TYR A 14 9.257 2.997 -17.714 1.00 0.00 C ATOM 166 CE2 TYR A 14 8.391 1.776 -19.581 1.00 0.00 C ATOM 167 CZ TYR A 14 8.409 2.037 -18.227 1.00 0.00 C ATOM 168 OH TYR A 14 7.578 1.337 -17.383 1.00 0.00 O ATOM 0 H TYR A 14 11.966 6.865 -21.602 1.00 0.00 H new ATOM 0 HA TYR A 14 9.559 5.249 -22.078 1.00 0.00 H new ATOM 0 HB2 TYR A 14 11.284 3.581 -21.695 1.00 0.00 H new ATOM 0 HB3 TYR A 14 11.921 4.473 -20.327 1.00 0.00 H new ATOM 0 HD1 TYR A 14 10.750 4.451 -18.160 1.00 0.00 H new ATOM 0 HD2 TYR A 14 9.210 2.273 -21.485 1.00 0.00 H new ATOM 0 HE1 TYR A 14 9.270 3.199 -16.653 1.00 0.00 H new ATOM 0 HE2 TYR A 14 7.726 1.024 -19.980 1.00 0.00 H new ATOM 0 HH TYR A 14 7.045 0.700 -17.903 1.00 0.00 H new ATOM 178 N ARG A 15 8.493 6.358 -20.141 1.00 0.00 N ATOM 179 CA ARG A 15 7.830 7.117 -19.088 1.00 0.00 C ATOM 180 C ARG A 15 6.629 6.351 -18.541 1.00 0.00 C ATOM 181 O ARG A 15 5.608 6.214 -19.215 1.00 0.00 O ATOM 182 CB ARG A 15 7.381 8.480 -19.618 1.00 0.00 C ATOM 183 CG ARG A 15 8.533 9.399 -19.988 1.00 0.00 C ATOM 184 CD ARG A 15 8.035 10.762 -20.443 1.00 0.00 C ATOM 185 NE ARG A 15 9.084 11.777 -20.382 1.00 0.00 N ATOM 186 CZ ARG A 15 8.841 13.081 -20.309 1.00 0.00 C ATOM 187 NH1 ARG A 15 7.593 13.526 -20.288 1.00 0.00 N ATOM 188 NH2 ARG A 15 9.849 13.942 -20.257 1.00 0.00 N ATOM 0 H ARG A 15 7.859 5.854 -20.761 1.00 0.00 H new ATOM 0 HA ARG A 15 8.544 7.267 -18.278 1.00 0.00 H new ATOM 0 HB2 ARG A 15 6.751 8.330 -20.495 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.765 8.969 -18.863 1.00 0.00 H new ATOM 0 HG2 ARG A 15 9.193 9.520 -19.129 1.00 0.00 H new ATOM 0 HG3 ARG A 15 9.123 8.942 -20.782 1.00 0.00 H new ATOM 0 HD2 ARG A 15 7.661 10.689 -21.464 1.00 0.00 H new ATOM 0 HD3 ARG A 15 7.197 11.069 -19.817 1.00 0.00 H new ATOM 0 HE ARG A 15 10.056 11.468 -20.396 1.00 0.00 H new ATOM 0 HH11 ARG A 15 6.816 12.867 -20.328 1.00 0.00 H new ATOM 0 HH12 ARG A 15 7.410 14.528 -20.232 1.00 0.00 H new ATOM 0 HH21 ARG A 15 10.811 13.603 -20.273 1.00 0.00 H new ATOM 0 HH22 ARG A 15 9.662 14.943 -20.201 1.00 0.00 H new ATOM 202 N SER A 16 6.759 5.854 -17.315 1.00 0.00 N ATOM 203 CA SER A 16 5.686 5.099 -16.678 1.00 0.00 C ATOM 204 C SER A 16 4.780 6.020 -15.867 1.00 0.00 C ATOM 205 O SER A 16 5.027 7.221 -15.769 1.00 0.00 O ATOM 206 CB SER A 16 6.268 4.010 -15.774 1.00 0.00 C ATOM 207 OG SER A 16 5.378 2.913 -15.660 1.00 0.00 O ATOM 0 H SER A 16 7.597 5.961 -16.743 1.00 0.00 H new ATOM 0 HA SER A 16 5.090 4.631 -17.461 1.00 0.00 H new ATOM 0 HB2 SER A 16 7.221 3.669 -16.178 1.00 0.00 H new ATOM 0 HB3 SER A 16 6.470 4.423 -14.786 1.00 0.00 H new ATOM 0 HG SER A 16 5.754 2.137 -16.126 1.00 0.00 H new ATOM 213 N GLU A 17 3.731 5.446 -15.287 1.00 0.00 N ATOM 214 CA GLU A 17 2.787 6.216 -14.484 1.00 0.00 C ATOM 215 C GLU A 17 2.134 5.337 -13.421 1.00 0.00 C ATOM 216 O GLU A 17 1.476 4.346 -13.739 1.00 0.00 O ATOM 217 CB GLU A 17 1.713 6.839 -15.378 1.00 0.00 C ATOM 218 CG GLU A 17 1.001 5.832 -16.266 1.00 0.00 C ATOM 219 CD GLU A 17 -0.022 6.480 -17.178 1.00 0.00 C ATOM 220 OE1 GLU A 17 -0.907 7.195 -16.663 1.00 0.00 O ATOM 221 OE2 GLU A 17 0.062 6.272 -18.407 1.00 0.00 O ATOM 0 H GLU A 17 3.513 4.452 -15.358 1.00 0.00 H new ATOM 0 HA GLU A 17 3.339 7.012 -13.983 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.977 7.342 -14.751 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.173 7.603 -16.005 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.737 5.302 -16.870 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.506 5.088 -15.641 1.00 0.00 H new ATOM 228 N ASP A 18 2.320 5.708 -12.159 1.00 0.00 N ATOM 229 CA ASP A 18 1.749 4.954 -11.049 1.00 0.00 C ATOM 230 C ASP A 18 0.316 5.397 -10.772 1.00 0.00 C ATOM 231 O ASP A 18 0.068 6.550 -10.415 1.00 0.00 O ATOM 232 CB ASP A 18 2.603 5.131 -9.792 1.00 0.00 C ATOM 233 CG ASP A 18 3.888 4.329 -9.847 1.00 0.00 C ATOM 234 OD1 ASP A 18 4.353 4.032 -10.967 1.00 0.00 O ATOM 235 OD2 ASP A 18 4.427 3.997 -8.771 1.00 0.00 O ATOM 0 H ASP A 18 2.861 6.526 -11.879 1.00 0.00 H new ATOM 0 HA ASP A 18 1.737 3.900 -11.325 1.00 0.00 H new ATOM 0 HB2 ASP A 18 2.842 6.187 -9.665 1.00 0.00 H new ATOM 0 HB3 ASP A 18 2.026 4.827 -8.919 1.00 0.00 H new ATOM 240 N THR A 19 -0.627 4.475 -10.940 1.00 0.00 N ATOM 241 CA THR A 19 -2.035 4.770 -10.710 1.00 0.00 C ATOM 242 C THR A 19 -2.405 4.579 -9.244 1.00 0.00 C ATOM 243 O THR A 19 -2.338 3.469 -8.717 1.00 0.00 O ATOM 244 CB THR A 19 -2.945 3.879 -11.578 1.00 0.00 C ATOM 245 OG1 THR A 19 -2.662 2.498 -11.325 1.00 0.00 O ATOM 246 CG2 THR A 19 -2.747 4.181 -13.055 1.00 0.00 C ATOM 0 H THR A 19 -0.440 3.517 -11.235 1.00 0.00 H new ATOM 0 HA THR A 19 -2.188 5.813 -10.987 1.00 0.00 H new ATOM 0 HB THR A 19 -3.982 4.091 -11.317 1.00 0.00 H new ATOM 0 HG1 THR A 19 -2.414 2.382 -10.384 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.399 3.540 -13.648 1.00 0.00 H new ATOM 0 HG22 THR A 19 -2.991 5.226 -13.249 1.00 0.00 H new ATOM 0 HG23 THR A 19 -1.709 3.994 -13.329 1.00 0.00 H new ATOM 254 N GLU A 20 -2.796 5.669 -8.590 1.00 0.00 N ATOM 255 CA GLU A 20 -3.177 5.620 -7.183 1.00 0.00 C ATOM 256 C GLU A 20 -4.206 4.520 -6.936 1.00 0.00 C ATOM 257 O GLU A 20 -4.371 4.052 -5.810 1.00 0.00 O ATOM 258 CB GLU A 20 -3.740 6.970 -6.737 1.00 0.00 C ATOM 259 CG GLU A 20 -2.861 8.151 -7.112 1.00 0.00 C ATOM 260 CD GLU A 20 -3.167 8.690 -8.496 1.00 0.00 C ATOM 261 OE1 GLU A 20 -4.321 9.108 -8.729 1.00 0.00 O ATOM 262 OE2 GLU A 20 -2.252 8.694 -9.347 1.00 0.00 O ATOM 0 H GLU A 20 -2.857 6.596 -9.012 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.284 5.396 -6.599 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -4.726 7.107 -7.180 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -3.876 6.958 -5.656 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.995 8.946 -6.379 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.815 7.849 -7.067 1.00 0.00 H new ATOM 269 N ASP A 21 -4.894 4.114 -7.997 1.00 0.00 N ATOM 270 CA ASP A 21 -5.907 3.069 -7.897 1.00 0.00 C ATOM 271 C ASP A 21 -5.489 2.002 -6.890 1.00 0.00 C ATOM 272 O ASP A 21 -4.566 1.227 -7.139 1.00 0.00 O ATOM 273 CB ASP A 21 -6.149 2.430 -9.265 1.00 0.00 C ATOM 274 CG ASP A 21 -6.923 3.339 -10.200 1.00 0.00 C ATOM 275 OD1 ASP A 21 -7.946 3.906 -9.764 1.00 0.00 O ATOM 276 OD2 ASP A 21 -6.504 3.483 -11.368 1.00 0.00 O ATOM 0 H ASP A 21 -4.769 4.492 -8.936 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.833 3.527 -7.551 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.191 2.177 -9.719 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.696 1.496 -9.135 1.00 0.00 H new ATOM 281 N TYR A 22 -6.174 1.969 -5.752 1.00 0.00 N ATOM 282 CA TYR A 22 -5.872 0.999 -4.706 1.00 0.00 C ATOM 283 C TYR A 22 -5.886 -0.422 -5.260 1.00 0.00 C ATOM 284 O TYR A 22 -5.087 -1.267 -4.855 1.00 0.00 O ATOM 285 CB TYR A 22 -6.879 1.123 -3.561 1.00 0.00 C ATOM 286 CG TYR A 22 -6.584 2.266 -2.616 1.00 0.00 C ATOM 287 CD1 TYR A 22 -6.227 3.518 -3.100 1.00 0.00 C ATOM 288 CD2 TYR A 22 -6.665 2.094 -1.240 1.00 0.00 C ATOM 289 CE1 TYR A 22 -5.956 4.565 -2.240 1.00 0.00 C ATOM 290 CE2 TYR A 22 -6.398 3.135 -0.373 1.00 0.00 C ATOM 291 CZ TYR A 22 -6.043 4.369 -0.878 1.00 0.00 C ATOM 292 OH TYR A 22 -5.776 5.410 -0.018 1.00 0.00 O ATOM 0 H TYR A 22 -6.942 2.603 -5.531 1.00 0.00 H new ATOM 0 HA TYR A 22 -4.872 1.211 -4.326 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -7.877 1.256 -3.979 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -6.892 0.190 -2.997 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -6.160 3.676 -4.166 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -6.942 1.129 -0.841 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -5.677 5.532 -2.633 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -6.467 2.984 0.694 1.00 0.00 H new ATOM 0 HH TYR A 22 -5.884 5.106 0.907 1.00 0.00 H new ATOM 302 N TYR A 23 -6.800 -0.678 -6.189 1.00 0.00 N ATOM 303 CA TYR A 23 -6.921 -1.997 -6.799 1.00 0.00 C ATOM 304 C TYR A 23 -5.738 -2.283 -7.719 1.00 0.00 C ATOM 305 O TYR A 23 -5.383 -3.439 -7.954 1.00 0.00 O ATOM 306 CB TYR A 23 -8.229 -2.101 -7.585 1.00 0.00 C ATOM 307 CG TYR A 23 -9.424 -2.454 -6.729 1.00 0.00 C ATOM 308 CD1 TYR A 23 -9.769 -3.780 -6.495 1.00 0.00 C ATOM 309 CD2 TYR A 23 -10.209 -1.462 -6.153 1.00 0.00 C ATOM 310 CE1 TYR A 23 -10.860 -4.107 -5.714 1.00 0.00 C ATOM 311 CE2 TYR A 23 -11.301 -1.781 -5.370 1.00 0.00 C ATOM 312 CZ TYR A 23 -11.623 -3.104 -5.153 1.00 0.00 C ATOM 313 OH TYR A 23 -12.711 -3.426 -4.374 1.00 0.00 O ATOM 0 H TYR A 23 -7.468 0.010 -6.536 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.925 -2.739 -6.000 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.419 -1.151 -8.085 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -8.116 -2.855 -8.364 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -9.174 -4.568 -6.932 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -9.961 -0.424 -6.321 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -11.115 -5.143 -5.543 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -11.900 -0.998 -4.930 1.00 0.00 H new ATOM 0 HH TYR A 23 -13.139 -2.604 -4.055 1.00 0.00 H new ATOM 323 N THR A 24 -5.129 -1.221 -8.237 1.00 0.00 N ATOM 324 CA THR A 24 -3.986 -1.355 -9.131 1.00 0.00 C ATOM 325 C THR A 24 -2.705 -1.621 -8.349 1.00 0.00 C ATOM 326 O THR A 24 -1.837 -2.373 -8.796 1.00 0.00 O ATOM 327 CB THR A 24 -3.796 -0.093 -9.993 1.00 0.00 C ATOM 328 OG1 THR A 24 -4.935 0.099 -10.839 1.00 0.00 O ATOM 329 CG2 THR A 24 -2.539 -0.202 -10.842 1.00 0.00 C ATOM 0 H THR A 24 -5.409 -0.258 -8.052 1.00 0.00 H new ATOM 0 HA THR A 24 -4.193 -2.203 -9.784 1.00 0.00 H new ATOM 0 HB THR A 24 -3.692 0.763 -9.326 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.692 0.685 -11.586 1.00 0.00 H new ATOM 0 HG21 THR A 24 -2.426 0.701 -11.442 1.00 0.00 H new ATOM 0 HG22 THR A 24 -1.671 -0.318 -10.193 1.00 0.00 H new ATOM 0 HG23 THR A 24 -2.618 -1.067 -11.500 1.00 0.00 H new ATOM 337 N LEU A 25 -2.591 -1.001 -7.180 1.00 0.00 N ATOM 338 CA LEU A 25 -1.415 -1.172 -6.335 1.00 0.00 C ATOM 339 C LEU A 25 -1.099 -2.651 -6.132 1.00 0.00 C ATOM 340 O LEU A 25 0.058 -3.066 -6.209 1.00 0.00 O ATOM 341 CB LEU A 25 -1.633 -0.496 -4.980 1.00 0.00 C ATOM 342 CG LEU A 25 -2.165 0.937 -5.023 1.00 0.00 C ATOM 343 CD1 LEU A 25 -2.245 1.520 -3.621 1.00 0.00 C ATOM 344 CD2 LEU A 25 -1.289 1.805 -5.915 1.00 0.00 C ATOM 0 H LEU A 25 -3.299 -0.375 -6.796 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.568 -0.704 -6.836 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.329 -1.103 -4.401 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.686 -0.495 -4.440 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.170 0.918 -5.443 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.626 2.540 -3.672 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.915 0.913 -3.012 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.252 1.526 -3.172 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.683 2.821 -5.934 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.271 1.817 -5.525 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.285 1.399 -6.927 1.00 0.00 H new ATOM 356 N LEU A 26 -2.135 -3.442 -5.876 1.00 0.00 N ATOM 357 CA LEU A 26 -1.970 -4.875 -5.665 1.00 0.00 C ATOM 358 C LEU A 26 -2.270 -5.652 -6.943 1.00 0.00 C ATOM 359 O LEU A 26 -2.162 -6.877 -6.977 1.00 0.00 O ATOM 360 CB LEU A 26 -2.886 -5.354 -4.537 1.00 0.00 C ATOM 361 CG LEU A 26 -2.877 -4.510 -3.262 1.00 0.00 C ATOM 362 CD1 LEU A 26 -3.812 -5.107 -2.221 1.00 0.00 C ATOM 363 CD2 LEU A 26 -1.465 -4.393 -2.709 1.00 0.00 C ATOM 0 H LEU A 26 -3.099 -3.115 -5.810 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.933 -5.058 -5.385 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.907 -5.392 -4.916 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.605 -6.374 -4.276 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.232 -3.509 -3.509 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.793 -4.493 -1.320 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.827 -5.137 -2.618 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.487 -6.119 -1.978 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.478 -3.789 -1.802 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.081 -5.387 -2.478 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.822 -3.919 -3.451 1.00 0.00 H new ATOM 375 N GLY A 27 -2.644 -4.930 -7.994 1.00 0.00 N ATOM 376 CA GLY A 27 -2.952 -5.567 -9.261 1.00 0.00 C ATOM 377 C GLY A 27 -4.115 -6.534 -9.157 1.00 0.00 C ATOM 378 O GLY A 27 -4.219 -7.477 -9.941 1.00 0.00 O ATOM 0 H GLY A 27 -2.739 -3.914 -7.991 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.185 -4.802 -10.002 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.071 -6.100 -9.620 1.00 0.00 H new ATOM 382 N CYS A 28 -4.990 -6.300 -8.185 1.00 0.00 N ATOM 383 CA CYS A 28 -6.151 -7.160 -7.979 1.00 0.00 C ATOM 384 C CYS A 28 -7.430 -6.462 -8.429 1.00 0.00 C ATOM 385 O CYS A 28 -7.391 -5.345 -8.946 1.00 0.00 O ATOM 386 CB CYS A 28 -6.263 -7.556 -6.506 1.00 0.00 C ATOM 387 SG CYS A 28 -7.174 -6.370 -5.490 1.00 0.00 S ATOM 0 H CYS A 28 -4.918 -5.523 -7.528 1.00 0.00 H new ATOM 0 HA CYS A 28 -6.018 -8.059 -8.580 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -6.752 -8.528 -6.438 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -5.260 -7.675 -6.096 1.00 0.00 H new ATOM 0 HG CYS A 28 -6.587 -6.245 -4.337 1.00 0.00 H new ATOM 393 N ASP A 29 -8.562 -7.130 -8.232 1.00 0.00 N ATOM 394 CA ASP A 29 -9.854 -6.574 -8.619 1.00 0.00 C ATOM 395 C ASP A 29 -10.919 -6.900 -7.576 1.00 0.00 C ATOM 396 O ASP A 29 -10.634 -7.538 -6.563 1.00 0.00 O ATOM 397 CB ASP A 29 -10.277 -7.116 -9.985 1.00 0.00 C ATOM 398 CG ASP A 29 -11.187 -6.159 -10.730 1.00 0.00 C ATOM 399 OD1 ASP A 29 -11.255 -4.976 -10.336 1.00 0.00 O ATOM 400 OD2 ASP A 29 -11.831 -6.593 -11.708 1.00 0.00 O ATOM 0 H ASP A 29 -8.611 -8.056 -7.807 1.00 0.00 H new ATOM 0 HA ASP A 29 -9.753 -5.491 -8.682 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -9.389 -7.311 -10.586 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -10.788 -8.070 -9.852 1.00 0.00 H new ATOM 405 N GLU A 30 -12.146 -6.457 -7.833 1.00 0.00 N ATOM 406 CA GLU A 30 -13.252 -6.700 -6.915 1.00 0.00 C ATOM 407 C GLU A 30 -13.557 -8.192 -6.813 1.00 0.00 C ATOM 408 O GLU A 30 -13.991 -8.678 -5.768 1.00 0.00 O ATOM 409 CB GLU A 30 -14.501 -5.944 -7.374 1.00 0.00 C ATOM 410 CG GLU A 30 -15.139 -6.525 -8.624 1.00 0.00 C ATOM 411 CD GLU A 30 -14.263 -6.372 -9.852 1.00 0.00 C ATOM 412 OE1 GLU A 30 -14.104 -5.228 -10.328 1.00 0.00 O ATOM 413 OE2 GLU A 30 -13.737 -7.395 -10.338 1.00 0.00 O ATOM 0 H GLU A 30 -12.399 -5.929 -8.668 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.958 -6.338 -5.930 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.234 -5.947 -6.567 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.237 -4.903 -7.561 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -15.349 -7.582 -8.462 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -16.095 -6.033 -8.801 1.00 0.00 H new ATOM 420 N LEU A 31 -13.327 -8.912 -7.905 1.00 0.00 N ATOM 421 CA LEU A 31 -13.577 -10.349 -7.940 1.00 0.00 C ATOM 422 C LEU A 31 -12.640 -11.088 -6.990 1.00 0.00 C ATOM 423 O LEU A 31 -13.051 -12.016 -6.294 1.00 0.00 O ATOM 424 CB LEU A 31 -13.403 -10.882 -9.363 1.00 0.00 C ATOM 425 CG LEU A 31 -14.600 -10.703 -10.298 1.00 0.00 C ATOM 426 CD1 LEU A 31 -14.148 -10.701 -11.750 1.00 0.00 C ATOM 427 CD2 LEU A 31 -15.630 -11.798 -10.060 1.00 0.00 C ATOM 0 H LEU A 31 -12.968 -8.525 -8.778 1.00 0.00 H new ATOM 0 HA LEU A 31 -14.603 -10.522 -7.616 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -12.540 -10.389 -9.811 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -13.168 -11.945 -9.305 1.00 0.00 H new ATOM 0 HG LEU A 31 -15.064 -9.741 -10.082 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -15.013 -10.573 -12.400 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -13.448 -9.882 -11.912 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -13.659 -11.647 -11.980 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -16.475 -11.655 -10.734 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -15.176 -12.771 -10.248 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -15.977 -11.753 -9.028 1.00 0.00 H new ATOM 439 N SER A 32 -11.379 -10.668 -6.965 1.00 0.00 N ATOM 440 CA SER A 32 -10.383 -11.291 -6.102 1.00 0.00 C ATOM 441 C SER A 32 -10.751 -11.114 -4.632 1.00 0.00 C ATOM 442 O SER A 32 -11.190 -10.042 -4.216 1.00 0.00 O ATOM 443 CB SER A 32 -9.000 -10.693 -6.369 1.00 0.00 C ATOM 444 OG SER A 32 -8.329 -11.400 -7.398 1.00 0.00 O ATOM 0 H SER A 32 -11.023 -9.899 -7.533 1.00 0.00 H new ATOM 0 HA SER A 32 -10.359 -12.357 -6.327 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.102 -9.645 -6.650 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.405 -10.722 -5.456 1.00 0.00 H new ATOM 0 HG SER A 32 -7.449 -10.998 -7.551 1.00 0.00 H new ATOM 450 N SER A 33 -10.568 -12.173 -3.850 1.00 0.00 N ATOM 451 CA SER A 33 -10.884 -12.137 -2.427 1.00 0.00 C ATOM 452 C SER A 33 -9.648 -11.786 -1.605 1.00 0.00 C ATOM 453 O SER A 33 -8.526 -11.796 -2.113 1.00 0.00 O ATOM 454 CB SER A 33 -11.446 -13.486 -1.974 1.00 0.00 C ATOM 455 OG SER A 33 -12.710 -13.736 -2.563 1.00 0.00 O ATOM 0 H SER A 33 -10.202 -13.067 -4.178 1.00 0.00 H new ATOM 0 HA SER A 33 -11.637 -11.365 -2.266 1.00 0.00 H new ATOM 0 HB2 SER A 33 -10.752 -14.282 -2.244 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.539 -13.499 -0.888 1.00 0.00 H new ATOM 0 HG SER A 33 -13.047 -14.605 -2.259 1.00 0.00 H new ATOM 461 N VAL A 34 -9.861 -11.477 -0.330 1.00 0.00 N ATOM 462 CA VAL A 34 -8.765 -11.123 0.565 1.00 0.00 C ATOM 463 C VAL A 34 -7.692 -12.206 0.572 1.00 0.00 C ATOM 464 O VAL A 34 -6.499 -11.910 0.643 1.00 0.00 O ATOM 465 CB VAL A 34 -9.265 -10.901 2.004 1.00 0.00 C ATOM 466 CG1 VAL A 34 -9.878 -12.178 2.560 1.00 0.00 C ATOM 467 CG2 VAL A 34 -8.131 -10.414 2.893 1.00 0.00 C ATOM 0 H VAL A 34 -10.783 -11.465 0.107 1.00 0.00 H new ATOM 0 HA VAL A 34 -8.337 -10.193 0.191 1.00 0.00 H new ATOM 0 HB VAL A 34 -10.038 -10.133 1.986 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -10.226 -12.002 3.578 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -10.720 -12.479 1.936 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -9.128 -12.969 2.565 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -8.503 -10.262 3.906 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.334 -11.157 2.906 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.743 -9.473 2.504 1.00 0.00 H new ATOM 477 N GLU A 35 -8.123 -13.461 0.499 1.00 0.00 N ATOM 478 CA GLU A 35 -7.198 -14.587 0.498 1.00 0.00 C ATOM 479 C GLU A 35 -6.171 -14.447 -0.623 1.00 0.00 C ATOM 480 O GLU A 35 -5.002 -14.793 -0.453 1.00 0.00 O ATOM 481 CB GLU A 35 -7.962 -15.904 0.342 1.00 0.00 C ATOM 482 CG GLU A 35 -8.520 -16.442 1.649 1.00 0.00 C ATOM 483 CD GLU A 35 -7.502 -17.252 2.428 1.00 0.00 C ATOM 484 OE1 GLU A 35 -6.408 -16.720 2.708 1.00 0.00 O ATOM 485 OE2 GLU A 35 -7.801 -18.419 2.758 1.00 0.00 O ATOM 0 H GLU A 35 -9.107 -13.723 0.440 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.671 -14.591 1.452 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.782 -15.757 -0.361 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.298 -16.650 -0.094 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.863 -15.610 2.263 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.390 -17.064 1.440 1.00 0.00 H new ATOM 492 N GLN A 36 -6.618 -13.939 -1.766 1.00 0.00 N ATOM 493 CA GLN A 36 -5.739 -13.754 -2.915 1.00 0.00 C ATOM 494 C GLN A 36 -5.005 -12.420 -2.830 1.00 0.00 C ATOM 495 O GLN A 36 -3.776 -12.372 -2.892 1.00 0.00 O ATOM 496 CB GLN A 36 -6.542 -13.826 -4.215 1.00 0.00 C ATOM 497 CG GLN A 36 -5.711 -13.556 -5.459 1.00 0.00 C ATOM 498 CD GLN A 36 -5.092 -14.815 -6.032 1.00 0.00 C ATOM 499 OE1 GLN A 36 -3.952 -15.159 -5.717 1.00 0.00 O ATOM 500 NE2 GLN A 36 -5.841 -15.511 -6.879 1.00 0.00 N ATOM 0 H GLN A 36 -7.583 -13.648 -1.922 1.00 0.00 H new ATOM 0 HA GLN A 36 -5.000 -14.555 -2.908 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -6.995 -14.814 -4.298 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.357 -13.104 -4.169 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -6.339 -13.088 -6.216 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -4.921 -12.845 -5.216 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -6.780 -15.189 -7.112 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -5.477 -16.367 -7.297 1.00 0.00 H new ATOM 509 N ILE A 37 -5.765 -11.340 -2.687 1.00 0.00 N ATOM 510 CA ILE A 37 -5.186 -10.006 -2.593 1.00 0.00 C ATOM 511 C ILE A 37 -3.906 -10.020 -1.764 1.00 0.00 C ATOM 512 O ILE A 37 -2.868 -9.516 -2.196 1.00 0.00 O ATOM 513 CB ILE A 37 -6.176 -9.005 -1.969 1.00 0.00 C ATOM 514 CG1 ILE A 37 -7.442 -8.906 -2.824 1.00 0.00 C ATOM 515 CG2 ILE A 37 -5.525 -7.638 -1.819 1.00 0.00 C ATOM 516 CD1 ILE A 37 -8.551 -8.112 -2.172 1.00 0.00 C ATOM 0 H ILE A 37 -6.783 -11.363 -2.634 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.955 -9.690 -3.610 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.455 -9.364 -0.978 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -7.190 -8.446 -3.780 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -7.804 -9.911 -3.040 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.238 -6.942 -1.377 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.650 -7.720 -1.174 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -5.220 -7.271 -2.799 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.416 -8.084 -2.834 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -8.831 -8.583 -1.230 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -8.207 -7.096 -1.981 1.00 0.00 H new ATOM 528 N LEU A 38 -3.985 -10.601 -0.572 1.00 0.00 N ATOM 529 CA LEU A 38 -2.832 -10.683 0.318 1.00 0.00 C ATOM 530 C LEU A 38 -1.602 -11.187 -0.430 1.00 0.00 C ATOM 531 O LEU A 38 -0.606 -10.476 -0.557 1.00 0.00 O ATOM 532 CB LEU A 38 -3.139 -11.605 1.499 1.00 0.00 C ATOM 533 CG LEU A 38 -3.965 -10.994 2.631 1.00 0.00 C ATOM 534 CD1 LEU A 38 -4.423 -12.073 3.600 1.00 0.00 C ATOM 535 CD2 LEU A 38 -3.162 -9.926 3.360 1.00 0.00 C ATOM 0 H LEU A 38 -4.836 -11.022 -0.199 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.621 -9.681 0.693 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.668 -12.481 1.122 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.195 -11.957 1.914 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.848 -10.524 2.198 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.009 -11.619 4.399 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.035 -12.802 3.070 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.553 -12.572 4.027 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.765 -9.502 4.163 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.261 -10.372 3.780 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.884 -9.138 2.660 1.00 0.00 H new ATOM 547 N ALA A 39 -1.680 -12.418 -0.925 1.00 0.00 N ATOM 548 CA ALA A 39 -0.575 -13.016 -1.664 1.00 0.00 C ATOM 549 C ALA A 39 0.018 -12.026 -2.660 1.00 0.00 C ATOM 550 O ALA A 39 1.192 -11.668 -2.568 1.00 0.00 O ATOM 551 CB ALA A 39 -1.040 -14.275 -2.382 1.00 0.00 C ATOM 0 H ALA A 39 -2.497 -13.021 -0.828 1.00 0.00 H new ATOM 0 HA ALA A 39 0.204 -13.285 -0.950 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.205 -14.711 -2.930 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.410 -14.995 -1.652 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.839 -14.022 -3.079 1.00 0.00 H new ATOM 557 N GLU A 40 -0.800 -11.587 -3.612 1.00 0.00 N ATOM 558 CA GLU A 40 -0.354 -10.639 -4.626 1.00 0.00 C ATOM 559 C GLU A 40 0.383 -9.466 -3.986 1.00 0.00 C ATOM 560 O GLU A 40 1.426 -9.032 -4.476 1.00 0.00 O ATOM 561 CB GLU A 40 -1.546 -10.126 -5.436 1.00 0.00 C ATOM 562 CG GLU A 40 -2.248 -11.210 -6.239 1.00 0.00 C ATOM 563 CD GLU A 40 -3.198 -10.644 -7.276 1.00 0.00 C ATOM 564 OE1 GLU A 40 -3.675 -9.506 -7.086 1.00 0.00 O ATOM 565 OE2 GLU A 40 -3.465 -11.341 -8.277 1.00 0.00 O ATOM 0 H GLU A 40 -1.775 -11.873 -3.702 1.00 0.00 H new ATOM 0 HA GLU A 40 0.334 -11.157 -5.294 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.264 -9.665 -4.758 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.204 -9.346 -6.116 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -1.502 -11.830 -6.735 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.801 -11.859 -5.560 1.00 0.00 H new ATOM 572 N PHE A 41 -0.168 -8.955 -2.890 1.00 0.00 N ATOM 573 CA PHE A 41 0.435 -7.831 -2.184 1.00 0.00 C ATOM 574 C PHE A 41 1.838 -8.184 -1.697 1.00 0.00 C ATOM 575 O PHE A 41 2.765 -7.382 -1.807 1.00 0.00 O ATOM 576 CB PHE A 41 -0.440 -7.418 -0.998 1.00 0.00 C ATOM 577 CG PHE A 41 0.330 -6.772 0.118 1.00 0.00 C ATOM 578 CD1 PHE A 41 0.780 -5.467 0.003 1.00 0.00 C ATOM 579 CD2 PHE A 41 0.605 -7.471 1.283 1.00 0.00 C ATOM 580 CE1 PHE A 41 1.489 -4.870 1.029 1.00 0.00 C ATOM 581 CE2 PHE A 41 1.312 -6.879 2.312 1.00 0.00 C ATOM 582 CZ PHE A 41 1.756 -5.577 2.185 1.00 0.00 C ATOM 0 H PHE A 41 -1.031 -9.302 -2.472 1.00 0.00 H new ATOM 0 HA PHE A 41 0.511 -6.995 -2.880 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.208 -6.727 -1.346 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.954 -8.298 -0.612 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.575 -4.909 -0.899 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.263 -8.490 1.388 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.834 -3.852 0.927 1.00 0.00 H new ATOM 0 HE2 PHE A 41 1.517 -7.434 3.215 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.310 -5.113 2.987 1.00 0.00 H new ATOM 592 N LYS A 42 1.985 -9.389 -1.158 1.00 0.00 N ATOM 593 CA LYS A 42 3.273 -9.851 -0.655 1.00 0.00 C ATOM 594 C LYS A 42 4.314 -9.879 -1.769 1.00 0.00 C ATOM 595 O LYS A 42 5.380 -9.274 -1.652 1.00 0.00 O ATOM 596 CB LYS A 42 3.133 -11.244 -0.037 1.00 0.00 C ATOM 597 CG LYS A 42 2.467 -11.240 1.328 1.00 0.00 C ATOM 598 CD LYS A 42 1.783 -12.565 1.619 1.00 0.00 C ATOM 599 CE LYS A 42 1.417 -12.693 3.090 1.00 0.00 C ATOM 600 NZ LYS A 42 2.550 -13.221 3.899 1.00 0.00 N ATOM 0 H LYS A 42 1.227 -10.064 -1.058 1.00 0.00 H new ATOM 0 HA LYS A 42 3.607 -9.152 0.112 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.555 -11.875 -0.712 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.122 -11.694 0.052 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.213 -11.038 2.097 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.735 -10.434 1.374 1.00 0.00 H new ATOM 0 HD2 LYS A 42 0.883 -12.652 1.010 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.441 -13.386 1.334 1.00 0.00 H new ATOM 0 HE2 LYS A 42 1.118 -11.718 3.476 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.557 -13.355 3.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 2.261 -13.294 4.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.819 -14.162 3.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.363 -12.577 3.820 1.00 0.00 H new ATOM 614 N VAL A 43 3.998 -10.586 -2.850 1.00 0.00 N ATOM 615 CA VAL A 43 4.905 -10.691 -3.986 1.00 0.00 C ATOM 616 C VAL A 43 5.258 -9.314 -4.537 1.00 0.00 C ATOM 617 O VAL A 43 6.408 -9.051 -4.891 1.00 0.00 O ATOM 618 CB VAL A 43 4.295 -11.542 -5.115 1.00 0.00 C ATOM 619 CG1 VAL A 43 4.232 -13.006 -4.706 1.00 0.00 C ATOM 620 CG2 VAL A 43 2.913 -11.024 -5.485 1.00 0.00 C ATOM 0 H VAL A 43 3.121 -11.094 -2.962 1.00 0.00 H new ATOM 0 HA VAL A 43 5.811 -11.177 -3.623 1.00 0.00 H new ATOM 0 HB VAL A 43 4.936 -11.462 -5.993 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.798 -13.592 -5.516 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.238 -13.368 -4.495 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.615 -13.108 -3.814 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.497 -11.637 -6.284 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.261 -11.073 -4.613 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.990 -9.991 -5.823 1.00 0.00 H new ATOM 630 N ARG A 44 4.261 -8.438 -4.608 1.00 0.00 N ATOM 631 CA ARG A 44 4.465 -7.087 -5.116 1.00 0.00 C ATOM 632 C ARG A 44 5.286 -6.255 -4.135 1.00 0.00 C ATOM 633 O ARG A 44 5.935 -5.283 -4.522 1.00 0.00 O ATOM 634 CB ARG A 44 3.120 -6.408 -5.376 1.00 0.00 C ATOM 635 CG ARG A 44 2.498 -6.779 -6.712 1.00 0.00 C ATOM 636 CD ARG A 44 0.979 -6.721 -6.655 1.00 0.00 C ATOM 637 NE ARG A 44 0.361 -7.501 -7.723 1.00 0.00 N ATOM 638 CZ ARG A 44 0.303 -7.099 -8.988 1.00 0.00 C ATOM 639 NH1 ARG A 44 0.824 -5.932 -9.341 1.00 0.00 N ATOM 640 NH2 ARG A 44 -0.277 -7.866 -9.903 1.00 0.00 N ATOM 0 H ARG A 44 3.304 -8.640 -4.320 1.00 0.00 H new ATOM 0 HA ARG A 44 5.015 -7.158 -6.054 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.428 -6.674 -4.577 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.254 -5.327 -5.335 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.860 -6.100 -7.484 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.814 -7.783 -6.996 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.638 -7.095 -5.689 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.653 -5.684 -6.729 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.049 -8.404 -7.485 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.271 -5.340 -8.641 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.778 -5.626 -10.313 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.679 -8.765 -9.635 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.321 -7.557 -10.874 1.00 0.00 H new ATOM 654 N ALA A 45 5.252 -6.643 -2.865 1.00 0.00 N ATOM 655 CA ALA A 45 5.993 -5.934 -1.829 1.00 0.00 C ATOM 656 C ALA A 45 7.466 -6.330 -1.840 1.00 0.00 C ATOM 657 O ALA A 45 8.346 -5.492 -1.639 1.00 0.00 O ATOM 658 CB ALA A 45 5.382 -6.206 -0.463 1.00 0.00 C ATOM 0 H ALA A 45 4.719 -7.445 -2.528 1.00 0.00 H new ATOM 0 HA ALA A 45 5.929 -4.866 -2.037 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.946 -5.670 0.301 1.00 0.00 H new ATOM 0 HB2 ALA A 45 4.346 -5.867 -0.454 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.416 -7.276 -0.256 1.00 0.00 H new ATOM 664 N LEU A 46 7.728 -7.610 -2.076 1.00 0.00 N ATOM 665 CA LEU A 46 9.095 -8.118 -2.112 1.00 0.00 C ATOM 666 C LEU A 46 9.816 -7.650 -3.373 1.00 0.00 C ATOM 667 O LEU A 46 10.937 -7.146 -3.307 1.00 0.00 O ATOM 668 CB LEU A 46 9.095 -9.646 -2.049 1.00 0.00 C ATOM 669 CG LEU A 46 8.709 -10.262 -0.703 1.00 0.00 C ATOM 670 CD1 LEU A 46 8.470 -11.757 -0.849 1.00 0.00 C ATOM 671 CD2 LEU A 46 9.786 -9.991 0.336 1.00 0.00 C ATOM 0 H LEU A 46 7.012 -8.316 -2.245 1.00 0.00 H new ATOM 0 HA LEU A 46 9.625 -7.725 -1.244 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.408 -10.021 -2.808 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.090 -10.001 -2.316 1.00 0.00 H new ATOM 0 HG LEU A 46 7.782 -9.798 -0.365 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.196 -12.178 0.119 1.00 0.00 H new ATOM 0 HD12 LEU A 46 7.662 -11.929 -1.561 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.380 -12.237 -1.210 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.494 -10.436 1.287 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.729 -10.427 0.005 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.908 -8.915 0.462 1.00 0.00 H new ATOM 683 N GLU A 47 9.164 -7.819 -4.519 1.00 0.00 N ATOM 684 CA GLU A 47 9.743 -7.413 -5.794 1.00 0.00 C ATOM 685 C GLU A 47 10.172 -5.949 -5.754 1.00 0.00 C ATOM 686 O GLU A 47 11.192 -5.574 -6.335 1.00 0.00 O ATOM 687 CB GLU A 47 8.739 -7.630 -6.928 1.00 0.00 C ATOM 688 CG GLU A 47 8.659 -9.072 -7.401 1.00 0.00 C ATOM 689 CD GLU A 47 8.233 -9.186 -8.852 1.00 0.00 C ATOM 690 OE1 GLU A 47 7.014 -9.132 -9.119 1.00 0.00 O ATOM 691 OE2 GLU A 47 9.119 -9.330 -9.721 1.00 0.00 O ATOM 0 H GLU A 47 8.235 -8.234 -4.590 1.00 0.00 H new ATOM 0 HA GLU A 47 10.624 -8.028 -5.976 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.752 -7.310 -6.594 1.00 0.00 H new ATOM 0 HB3 GLU A 47 9.012 -6.994 -7.770 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.632 -9.547 -7.273 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.953 -9.617 -6.775 1.00 0.00 H new ATOM 698 N CYS A 48 9.388 -5.127 -5.066 1.00 0.00 N ATOM 699 CA CYS A 48 9.685 -3.703 -4.952 1.00 0.00 C ATOM 700 C CYS A 48 9.868 -3.302 -3.492 1.00 0.00 C ATOM 701 O CYS A 48 9.375 -2.261 -3.056 1.00 0.00 O ATOM 702 CB CYS A 48 8.566 -2.875 -5.584 1.00 0.00 C ATOM 703 SG CYS A 48 8.741 -2.639 -7.368 1.00 0.00 S ATOM 0 H CYS A 48 8.542 -5.422 -4.579 1.00 0.00 H new ATOM 0 HA CYS A 48 10.616 -3.507 -5.484 1.00 0.00 H new ATOM 0 HB2 CYS A 48 7.611 -3.362 -5.384 1.00 0.00 H new ATOM 0 HB3 CYS A 48 8.533 -1.899 -5.100 1.00 0.00 H new ATOM 0 HG CYS A 48 7.746 -1.929 -7.811 1.00 0.00 H new ATOM 709 N HIS A 49 10.579 -4.136 -2.739 1.00 0.00 N ATOM 710 CA HIS A 49 10.827 -3.869 -1.326 1.00 0.00 C ATOM 711 C HIS A 49 11.978 -2.883 -1.154 1.00 0.00 C ATOM 712 O HIS A 49 12.989 -2.942 -1.855 1.00 0.00 O ATOM 713 CB HIS A 49 11.138 -5.170 -0.586 1.00 0.00 C ATOM 714 CG HIS A 49 10.848 -5.109 0.881 1.00 0.00 C ATOM 715 ND1 HIS A 49 11.715 -4.552 1.798 1.00 0.00 N ATOM 716 CD2 HIS A 49 9.777 -5.537 1.591 1.00 0.00 C ATOM 717 CE1 HIS A 49 11.191 -4.642 3.007 1.00 0.00 C ATOM 718 NE2 HIS A 49 10.015 -5.235 2.909 1.00 0.00 N ATOM 0 H HIS A 49 10.993 -5.002 -3.083 1.00 0.00 H new ATOM 0 HA HIS A 49 9.926 -3.426 -0.901 1.00 0.00 H new ATOM 0 HB2 HIS A 49 10.557 -5.978 -1.029 1.00 0.00 H new ATOM 0 HB3 HIS A 49 12.190 -5.418 -0.730 1.00 0.00 H new ATOM 0 HD2 HIS A 49 8.899 -6.025 1.194 1.00 0.00 H new ATOM 0 HE1 HIS A 49 11.647 -4.290 3.921 1.00 0.00 H new ATOM 0 HE2 HIS A 49 9.386 -5.436 3.686 1.00 0.00 H new ATOM 726 N PRO A 50 11.824 -1.954 -0.199 1.00 0.00 N ATOM 727 CA PRO A 50 12.841 -0.937 0.088 1.00 0.00 C ATOM 728 C PRO A 50 14.090 -1.532 0.730 1.00 0.00 C ATOM 729 O PRO A 50 15.210 -1.263 0.297 1.00 0.00 O ATOM 730 CB PRO A 50 12.134 0.006 1.065 1.00 0.00 C ATOM 731 CG PRO A 50 11.092 -0.836 1.717 1.00 0.00 C ATOM 732 CD PRO A 50 10.646 -1.824 0.675 1.00 0.00 C ATOM 0 HA PRO A 50 13.194 -0.446 -0.819 1.00 0.00 H new ATOM 0 HB2 PRO A 50 12.831 0.412 1.798 1.00 0.00 H new ATOM 0 HB3 PRO A 50 11.689 0.854 0.545 1.00 0.00 H new ATOM 0 HG2 PRO A 50 11.494 -1.347 2.592 1.00 0.00 H new ATOM 0 HG3 PRO A 50 10.256 -0.226 2.060 1.00 0.00 H new ATOM 0 HD2 PRO A 50 10.369 -2.780 1.120 1.00 0.00 H new ATOM 0 HD3 PRO A 50 9.776 -1.464 0.126 1.00 0.00 H new ATOM 740 N ASP A 51 13.889 -2.340 1.766 1.00 0.00 N ATOM 741 CA ASP A 51 15.000 -2.974 2.467 1.00 0.00 C ATOM 742 C ASP A 51 15.826 -3.831 1.514 1.00 0.00 C ATOM 743 O ASP A 51 17.056 -3.834 1.572 1.00 0.00 O ATOM 744 CB ASP A 51 14.479 -3.830 3.622 1.00 0.00 C ATOM 745 CG ASP A 51 15.585 -4.278 4.556 1.00 0.00 C ATOM 746 OD1 ASP A 51 16.385 -5.148 4.154 1.00 0.00 O ATOM 747 OD2 ASP A 51 15.651 -3.758 5.690 1.00 0.00 O ATOM 0 H ASP A 51 12.968 -2.571 2.138 1.00 0.00 H new ATOM 0 HA ASP A 51 15.641 -2.188 2.867 1.00 0.00 H new ATOM 0 HB2 ASP A 51 13.739 -3.262 4.186 1.00 0.00 H new ATOM 0 HB3 ASP A 51 13.970 -4.706 3.220 1.00 0.00 H new ATOM 752 N LYS A 52 15.143 -4.559 0.637 1.00 0.00 N ATOM 753 CA LYS A 52 15.812 -5.421 -0.330 1.00 0.00 C ATOM 754 C LYS A 52 16.386 -4.603 -1.482 1.00 0.00 C ATOM 755 O LYS A 52 17.516 -4.830 -1.917 1.00 0.00 O ATOM 756 CB LYS A 52 14.837 -6.469 -0.870 1.00 0.00 C ATOM 757 CG LYS A 52 14.214 -7.335 0.211 1.00 0.00 C ATOM 758 CD LYS A 52 15.221 -8.314 0.790 1.00 0.00 C ATOM 759 CE LYS A 52 14.546 -9.590 1.270 1.00 0.00 C ATOM 760 NZ LYS A 52 15.483 -10.462 2.031 1.00 0.00 N ATOM 0 H LYS A 52 14.125 -4.569 0.576 1.00 0.00 H new ATOM 0 HA LYS A 52 16.633 -5.926 0.178 1.00 0.00 H new ATOM 0 HB2 LYS A 52 14.044 -5.965 -1.422 1.00 0.00 H new ATOM 0 HB3 LYS A 52 15.361 -7.109 -1.579 1.00 0.00 H new ATOM 0 HG2 LYS A 52 13.823 -6.701 1.006 1.00 0.00 H new ATOM 0 HG3 LYS A 52 13.368 -7.884 -0.204 1.00 0.00 H new ATOM 0 HD2 LYS A 52 15.968 -8.558 0.035 1.00 0.00 H new ATOM 0 HD3 LYS A 52 15.749 -7.846 1.621 1.00 0.00 H new ATOM 0 HE2 LYS A 52 13.694 -9.335 1.901 1.00 0.00 H new ATOM 0 HE3 LYS A 52 14.155 -10.138 0.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 14.984 -11.321 2.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 16.283 -10.727 1.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 15.837 -9.948 2.863 1.00 0.00 H new ATOM 774 N HIS A 53 15.601 -3.649 -1.973 1.00 0.00 N ATOM 775 CA HIS A 53 16.033 -2.795 -3.075 1.00 0.00 C ATOM 776 C HIS A 53 16.047 -1.329 -2.652 1.00 0.00 C ATOM 777 O HIS A 53 15.291 -0.503 -3.164 1.00 0.00 O ATOM 778 CB HIS A 53 15.113 -2.981 -4.282 1.00 0.00 C ATOM 779 CG HIS A 53 14.789 -4.414 -4.573 1.00 0.00 C ATOM 780 ND1 HIS A 53 15.460 -5.160 -5.519 1.00 0.00 N ATOM 781 CD2 HIS A 53 13.860 -5.238 -4.035 1.00 0.00 C ATOM 782 CE1 HIS A 53 14.956 -6.381 -5.552 1.00 0.00 C ATOM 783 NE2 HIS A 53 13.984 -6.455 -4.661 1.00 0.00 N ATOM 0 H HIS A 53 14.663 -3.448 -1.626 1.00 0.00 H new ATOM 0 HA HIS A 53 17.047 -3.085 -3.352 1.00 0.00 H new ATOM 0 HB2 HIS A 53 14.185 -2.435 -4.109 1.00 0.00 H new ATOM 0 HB3 HIS A 53 15.584 -2.538 -5.159 1.00 0.00 H new ATOM 0 HD2 HIS A 53 13.153 -4.986 -3.258 1.00 0.00 H new ATOM 0 HE1 HIS A 53 15.283 -7.182 -6.198 1.00 0.00 H new ATOM 0 HE2 HIS A 53 13.417 -7.281 -4.469 1.00 0.00 H new ATOM 791 N PRO A 54 16.926 -0.997 -1.695 1.00 0.00 N ATOM 792 CA PRO A 54 17.060 0.370 -1.183 1.00 0.00 C ATOM 793 C PRO A 54 17.671 1.317 -2.210 1.00 0.00 C ATOM 794 O PRO A 54 17.478 2.530 -2.141 1.00 0.00 O ATOM 795 CB PRO A 54 17.995 0.209 0.018 1.00 0.00 C ATOM 796 CG PRO A 54 18.781 -1.022 -0.276 1.00 0.00 C ATOM 797 CD PRO A 54 17.858 -1.930 -1.040 1.00 0.00 C ATOM 0 HA PRO A 54 16.094 0.808 -0.933 1.00 0.00 H new ATOM 0 HB2 PRO A 54 18.645 1.076 0.132 1.00 0.00 H new ATOM 0 HB3 PRO A 54 17.433 0.108 0.946 1.00 0.00 H new ATOM 0 HG2 PRO A 54 19.670 -0.787 -0.861 1.00 0.00 H new ATOM 0 HG3 PRO A 54 19.122 -1.497 0.644 1.00 0.00 H new ATOM 0 HD2 PRO A 54 18.400 -2.534 -1.768 1.00 0.00 H new ATOM 0 HD3 PRO A 54 17.336 -2.621 -0.378 1.00 0.00 H new ATOM 805 N GLU A 55 18.409 0.754 -3.163 1.00 0.00 N ATOM 806 CA GLU A 55 19.048 1.549 -4.204 1.00 0.00 C ATOM 807 C GLU A 55 18.022 2.401 -4.945 1.00 0.00 C ATOM 808 O GLU A 55 18.373 3.368 -5.619 1.00 0.00 O ATOM 809 CB GLU A 55 19.783 0.641 -5.192 1.00 0.00 C ATOM 810 CG GLU A 55 20.457 1.395 -6.326 1.00 0.00 C ATOM 811 CD GLU A 55 21.663 0.661 -6.878 1.00 0.00 C ATOM 812 OE1 GLU A 55 21.575 -0.570 -7.064 1.00 0.00 O ATOM 813 OE2 GLU A 55 22.695 1.320 -7.125 1.00 0.00 O ATOM 0 H GLU A 55 18.578 -0.249 -3.235 1.00 0.00 H new ATOM 0 HA GLU A 55 19.769 2.213 -3.727 1.00 0.00 H new ATOM 0 HB2 GLU A 55 20.535 0.065 -4.653 1.00 0.00 H new ATOM 0 HB3 GLU A 55 19.075 -0.073 -5.612 1.00 0.00 H new ATOM 0 HG2 GLU A 55 19.737 1.558 -7.128 1.00 0.00 H new ATOM 0 HG3 GLU A 55 20.766 2.378 -5.971 1.00 0.00 H new ATOM 820 N ASN A 56 16.751 2.033 -4.815 1.00 0.00 N ATOM 821 CA ASN A 56 15.673 2.762 -5.473 1.00 0.00 C ATOM 822 C ASN A 56 14.812 3.500 -4.451 1.00 0.00 C ATOM 823 O ASN A 56 14.269 2.909 -3.518 1.00 0.00 O ATOM 824 CB ASN A 56 14.805 1.803 -6.290 1.00 0.00 C ATOM 825 CG ASN A 56 15.609 0.668 -6.894 1.00 0.00 C ATOM 826 OD1 ASN A 56 16.644 0.892 -7.522 1.00 0.00 O ATOM 827 ND2 ASN A 56 15.135 -0.558 -6.706 1.00 0.00 N ATOM 0 H ASN A 56 16.443 1.235 -4.260 1.00 0.00 H new ATOM 0 HA ASN A 56 16.121 3.496 -6.143 1.00 0.00 H new ATOM 0 HB2 ASN A 56 14.023 1.391 -5.652 1.00 0.00 H new ATOM 0 HB3 ASN A 56 14.308 2.356 -7.087 1.00 0.00 H new ATOM 0 HD21 ASN A 56 15.633 -1.362 -7.089 1.00 0.00 H new ATOM 0 HD22 ASN A 56 14.273 -0.696 -6.179 1.00 0.00 H new ATOM 834 N PRO A 57 14.684 4.823 -4.631 1.00 0.00 N ATOM 835 CA PRO A 57 13.890 5.670 -3.736 1.00 0.00 C ATOM 836 C PRO A 57 12.393 5.408 -3.866 1.00 0.00 C ATOM 837 O PRO A 57 11.648 5.504 -2.891 1.00 0.00 O ATOM 838 CB PRO A 57 14.227 7.089 -4.199 1.00 0.00 C ATOM 839 CG PRO A 57 14.633 6.936 -5.624 1.00 0.00 C ATOM 840 CD PRO A 57 15.304 5.594 -5.722 1.00 0.00 C ATOM 0 HA PRO A 57 14.121 5.483 -2.687 1.00 0.00 H new ATOM 0 HB2 PRO A 57 13.367 7.752 -4.101 1.00 0.00 H new ATOM 0 HB3 PRO A 57 15.031 7.520 -3.602 1.00 0.00 H new ATOM 0 HG2 PRO A 57 13.767 6.988 -6.284 1.00 0.00 H new ATOM 0 HG3 PRO A 57 15.312 7.734 -5.924 1.00 0.00 H new ATOM 0 HD2 PRO A 57 15.131 5.128 -6.692 1.00 0.00 H new ATOM 0 HD3 PRO A 57 16.384 5.674 -5.595 1.00 0.00 H new ATOM 848 N LYS A 58 11.959 5.076 -5.077 1.00 0.00 N ATOM 849 CA LYS A 58 10.551 4.799 -5.336 1.00 0.00 C ATOM 850 C LYS A 58 10.122 3.496 -4.668 1.00 0.00 C ATOM 851 O LYS A 58 8.945 3.300 -4.369 1.00 0.00 O ATOM 852 CB LYS A 58 10.294 4.720 -6.843 1.00 0.00 C ATOM 853 CG LYS A 58 10.572 3.350 -7.437 1.00 0.00 C ATOM 854 CD LYS A 58 12.063 3.074 -7.529 1.00 0.00 C ATOM 855 CE LYS A 58 12.360 1.930 -8.487 1.00 0.00 C ATOM 856 NZ LYS A 58 12.204 0.602 -7.830 1.00 0.00 N ATOM 0 H LYS A 58 12.562 4.992 -5.895 1.00 0.00 H new ATOM 0 HA LYS A 58 9.962 5.614 -4.916 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.256 4.988 -7.041 1.00 0.00 H new ATOM 0 HB3 LYS A 58 10.916 5.459 -7.348 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.096 2.584 -6.825 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.127 3.286 -8.430 1.00 0.00 H new ATOM 0 HD2 LYS A 58 12.581 3.973 -7.863 1.00 0.00 H new ATOM 0 HD3 LYS A 58 12.451 2.832 -6.540 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.691 1.992 -9.345 1.00 0.00 H new ATOM 0 HE3 LYS A 58 13.376 2.030 -8.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.933 -0.049 -8.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 12.308 0.709 -6.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 11.262 0.217 -8.044 1.00 0.00 H new ATOM 870 N ALA A 59 11.085 2.610 -4.436 1.00 0.00 N ATOM 871 CA ALA A 59 10.806 1.328 -3.801 1.00 0.00 C ATOM 872 C ALA A 59 9.990 1.514 -2.526 1.00 0.00 C ATOM 873 O ALA A 59 9.015 0.800 -2.292 1.00 0.00 O ATOM 874 CB ALA A 59 12.105 0.597 -3.496 1.00 0.00 C ATOM 0 H ALA A 59 12.065 2.757 -4.678 1.00 0.00 H new ATOM 0 HA ALA A 59 10.217 0.727 -4.494 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.882 -0.359 -3.022 1.00 0.00 H new ATOM 0 HB2 ALA A 59 12.651 0.424 -4.423 1.00 0.00 H new ATOM 0 HB3 ALA A 59 12.714 1.202 -2.824 1.00 0.00 H new ATOM 880 N VAL A 60 10.395 2.477 -1.704 1.00 0.00 N ATOM 881 CA VAL A 60 9.700 2.756 -0.453 1.00 0.00 C ATOM 882 C VAL A 60 8.283 3.254 -0.710 1.00 0.00 C ATOM 883 O VAL A 60 7.329 2.790 -0.087 1.00 0.00 O ATOM 884 CB VAL A 60 10.456 3.803 0.387 1.00 0.00 C ATOM 885 CG1 VAL A 60 9.695 4.112 1.667 1.00 0.00 C ATOM 886 CG2 VAL A 60 11.865 3.321 0.697 1.00 0.00 C ATOM 0 H VAL A 60 11.201 3.077 -1.882 1.00 0.00 H new ATOM 0 HA VAL A 60 9.657 1.818 0.101 1.00 0.00 H new ATOM 0 HB VAL A 60 10.531 4.723 -0.193 1.00 0.00 H new ATOM 0 HG11 VAL A 60 10.245 4.853 2.247 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.709 4.504 1.418 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.586 3.200 2.254 1.00 0.00 H new ATOM 0 HG21 VAL A 60 12.384 4.073 1.291 1.00 0.00 H new ATOM 0 HG22 VAL A 60 11.815 2.387 1.257 1.00 0.00 H new ATOM 0 HG23 VAL A 60 12.407 3.157 -0.235 1.00 0.00 H new ATOM 896 N GLU A 61 8.153 4.201 -1.634 1.00 0.00 N ATOM 897 CA GLU A 61 6.851 4.762 -1.974 1.00 0.00 C ATOM 898 C GLU A 61 5.874 3.663 -2.382 1.00 0.00 C ATOM 899 O GLU A 61 4.890 3.402 -1.690 1.00 0.00 O ATOM 900 CB GLU A 61 6.989 5.782 -3.106 1.00 0.00 C ATOM 901 CG GLU A 61 7.298 7.190 -2.623 1.00 0.00 C ATOM 902 CD GLU A 61 7.458 8.176 -3.763 1.00 0.00 C ATOM 903 OE1 GLU A 61 8.476 8.093 -4.482 1.00 0.00 O ATOM 904 OE2 GLU A 61 6.564 9.031 -3.937 1.00 0.00 O ATOM 0 H GLU A 61 8.933 4.595 -2.160 1.00 0.00 H new ATOM 0 HA GLU A 61 6.459 5.263 -1.089 1.00 0.00 H new ATOM 0 HB2 GLU A 61 7.780 5.457 -3.782 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.064 5.800 -3.683 1.00 0.00 H new ATOM 0 HG2 GLU A 61 6.498 7.528 -1.965 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.213 7.174 -2.030 1.00 0.00 H new ATOM 911 N THR A 62 6.154 3.021 -3.512 1.00 0.00 N ATOM 912 CA THR A 62 5.301 1.952 -4.015 1.00 0.00 C ATOM 913 C THR A 62 4.984 0.940 -2.919 1.00 0.00 C ATOM 914 O THR A 62 3.948 0.275 -2.955 1.00 0.00 O ATOM 915 CB THR A 62 5.958 1.219 -5.200 1.00 0.00 C ATOM 916 OG1 THR A 62 6.017 2.084 -6.339 1.00 0.00 O ATOM 917 CG2 THR A 62 5.183 -0.041 -5.554 1.00 0.00 C ATOM 0 H THR A 62 6.965 3.223 -4.096 1.00 0.00 H new ATOM 0 HA THR A 62 4.376 2.419 -4.354 1.00 0.00 H new ATOM 0 HB THR A 62 6.969 0.935 -4.907 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.437 1.611 -7.087 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.666 -0.541 -6.393 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.165 -0.711 -4.694 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.162 0.225 -5.829 1.00 0.00 H new ATOM 925 N PHE A 63 5.881 0.829 -1.946 1.00 0.00 N ATOM 926 CA PHE A 63 5.697 -0.102 -0.839 1.00 0.00 C ATOM 927 C PHE A 63 4.688 0.442 0.168 1.00 0.00 C ATOM 928 O PHE A 63 3.741 -0.247 0.547 1.00 0.00 O ATOM 929 CB PHE A 63 7.033 -0.372 -0.143 1.00 0.00 C ATOM 930 CG PHE A 63 6.916 -1.276 1.050 1.00 0.00 C ATOM 931 CD1 PHE A 63 6.369 -2.542 0.926 1.00 0.00 C ATOM 932 CD2 PHE A 63 7.353 -0.858 2.298 1.00 0.00 C ATOM 933 CE1 PHE A 63 6.261 -3.377 2.022 1.00 0.00 C ATOM 934 CE2 PHE A 63 7.247 -1.689 3.397 1.00 0.00 C ATOM 935 CZ PHE A 63 6.699 -2.949 3.260 1.00 0.00 C ATOM 0 H PHE A 63 6.743 1.372 -1.901 1.00 0.00 H new ATOM 0 HA PHE A 63 5.311 -1.037 -1.245 1.00 0.00 H new ATOM 0 HB2 PHE A 63 7.723 -0.817 -0.860 1.00 0.00 H new ATOM 0 HB3 PHE A 63 7.468 0.577 0.171 1.00 0.00 H new ATOM 0 HD1 PHE A 63 6.022 -2.881 -0.039 1.00 0.00 H new ATOM 0 HD2 PHE A 63 7.781 0.127 2.412 1.00 0.00 H new ATOM 0 HE1 PHE A 63 5.835 -4.363 1.911 1.00 0.00 H new ATOM 0 HE2 PHE A 63 7.593 -1.353 4.363 1.00 0.00 H new ATOM 0 HZ PHE A 63 6.613 -3.598 4.119 1.00 0.00 H new ATOM 945 N GLN A 64 4.898 1.683 0.596 1.00 0.00 N ATOM 946 CA GLN A 64 4.008 2.319 1.560 1.00 0.00 C ATOM 947 C GLN A 64 2.550 2.167 1.137 1.00 0.00 C ATOM 948 O GLN A 64 1.664 1.995 1.974 1.00 0.00 O ATOM 949 CB GLN A 64 4.357 3.801 1.707 1.00 0.00 C ATOM 950 CG GLN A 64 5.760 4.046 2.237 1.00 0.00 C ATOM 951 CD GLN A 64 5.817 4.058 3.752 1.00 0.00 C ATOM 952 OE1 GLN A 64 6.058 3.028 4.384 1.00 0.00 O ATOM 953 NE2 GLN A 64 5.595 5.225 4.344 1.00 0.00 N ATOM 0 H GLN A 64 5.676 2.267 0.291 1.00 0.00 H new ATOM 0 HA GLN A 64 4.142 1.824 2.522 1.00 0.00 H new ATOM 0 HB2 GLN A 64 4.254 4.288 0.737 1.00 0.00 H new ATOM 0 HB3 GLN A 64 3.637 4.270 2.378 1.00 0.00 H new ATOM 0 HG2 GLN A 64 6.428 3.272 1.858 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.127 4.999 1.856 1.00 0.00 H new ATOM 0 HE21 GLN A 64 5.399 6.053 3.782 1.00 0.00 H new ATOM 0 HE22 GLN A 64 5.620 5.294 5.361 1.00 0.00 H new ATOM 962 N LYS A 65 2.308 2.232 -0.168 1.00 0.00 N ATOM 963 CA LYS A 65 0.958 2.101 -0.704 1.00 0.00 C ATOM 964 C LYS A 65 0.506 0.644 -0.689 1.00 0.00 C ATOM 965 O LYS A 65 -0.592 0.329 -0.229 1.00 0.00 O ATOM 966 CB LYS A 65 0.898 2.650 -2.131 1.00 0.00 C ATOM 967 CG LYS A 65 1.951 3.706 -2.421 1.00 0.00 C ATOM 968 CD LYS A 65 1.547 4.590 -3.589 1.00 0.00 C ATOM 969 CE LYS A 65 2.032 4.019 -4.913 1.00 0.00 C ATOM 970 NZ LYS A 65 3.410 4.479 -5.244 1.00 0.00 N ATOM 0 H LYS A 65 3.030 2.375 -0.874 1.00 0.00 H new ATOM 0 HA LYS A 65 0.285 2.679 -0.071 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.019 1.826 -2.834 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.090 3.076 -2.306 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.105 4.321 -1.534 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.902 3.222 -2.642 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.462 4.692 -3.611 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.959 5.590 -3.450 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.014 2.930 -4.867 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.349 4.316 -5.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.876 3.773 -5.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.361 5.388 -5.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.956 4.598 -4.367 1.00 0.00 H new ATOM 984 N LEU A 66 1.360 -0.240 -1.193 1.00 0.00 N ATOM 985 CA LEU A 66 1.049 -1.665 -1.237 1.00 0.00 C ATOM 986 C LEU A 66 0.453 -2.133 0.087 1.00 0.00 C ATOM 987 O LEU A 66 -0.512 -2.896 0.108 1.00 0.00 O ATOM 988 CB LEU A 66 2.308 -2.472 -1.556 1.00 0.00 C ATOM 989 CG LEU A 66 2.608 -2.691 -3.039 1.00 0.00 C ATOM 990 CD1 LEU A 66 3.810 -3.606 -3.212 1.00 0.00 C ATOM 991 CD2 LEU A 66 1.391 -3.264 -3.750 1.00 0.00 C ATOM 0 H LEU A 66 2.273 0.004 -1.577 1.00 0.00 H new ATOM 0 HA LEU A 66 0.312 -1.827 -2.024 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.162 -1.968 -1.104 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.222 -3.447 -1.076 1.00 0.00 H new ATOM 0 HG LEU A 66 2.845 -1.727 -3.488 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.008 -3.750 -4.274 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.682 -3.155 -2.738 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.603 -4.570 -2.748 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.623 -3.413 -4.805 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.122 -4.219 -3.299 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.555 -2.571 -3.657 1.00 0.00 H new ATOM 1003 N GLN A 67 1.033 -1.668 1.189 1.00 0.00 N ATOM 1004 CA GLN A 67 0.557 -2.038 2.516 1.00 0.00 C ATOM 1005 C GLN A 67 -0.720 -1.282 2.867 1.00 0.00 C ATOM 1006 O GLN A 67 -1.494 -1.712 3.723 1.00 0.00 O ATOM 1007 CB GLN A 67 1.635 -1.756 3.564 1.00 0.00 C ATOM 1008 CG GLN A 67 1.976 -0.281 3.705 1.00 0.00 C ATOM 1009 CD GLN A 67 2.785 0.015 4.952 1.00 0.00 C ATOM 1010 OE1 GLN A 67 3.646 -0.772 5.349 1.00 0.00 O ATOM 1011 NE2 GLN A 67 2.514 1.154 5.578 1.00 0.00 N ATOM 0 H GLN A 67 1.833 -1.035 1.189 1.00 0.00 H new ATOM 0 HA GLN A 67 0.335 -3.105 2.510 1.00 0.00 H new ATOM 0 HB2 GLN A 67 1.300 -2.137 4.529 1.00 0.00 H new ATOM 0 HB3 GLN A 67 2.539 -2.306 3.301 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.536 0.044 2.828 1.00 0.00 H new ATOM 0 HG3 GLN A 67 1.054 0.300 3.728 1.00 0.00 H new ATOM 0 HE21 GLN A 67 1.793 1.777 5.214 1.00 0.00 H new ATOM 0 HE22 GLN A 67 3.027 1.406 6.423 1.00 0.00 H new ATOM 1020 N LYS A 68 -0.935 -0.152 2.201 1.00 0.00 N ATOM 1021 CA LYS A 68 -2.119 0.664 2.441 1.00 0.00 C ATOM 1022 C LYS A 68 -3.354 0.031 1.808 1.00 0.00 C ATOM 1023 O LYS A 68 -4.296 -0.344 2.505 1.00 0.00 O ATOM 1024 CB LYS A 68 -1.913 2.074 1.883 1.00 0.00 C ATOM 1025 CG LYS A 68 -2.937 3.081 2.378 1.00 0.00 C ATOM 1026 CD LYS A 68 -2.876 3.241 3.888 1.00 0.00 C ATOM 1027 CE LYS A 68 -3.640 4.473 4.349 1.00 0.00 C ATOM 1028 NZ LYS A 68 -3.278 4.862 5.740 1.00 0.00 N ATOM 0 H LYS A 68 -0.304 0.219 1.491 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.275 0.725 3.518 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.915 2.420 2.153 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.952 2.034 0.794 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.760 4.045 1.901 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.936 2.759 2.085 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -3.291 2.354 4.366 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -1.836 3.317 4.205 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -3.432 5.303 3.674 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -4.711 4.278 4.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -3.820 5.705 6.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -3.500 4.080 6.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -2.261 5.073 5.788 1.00 0.00 H new ATOM 1042 N ALA A 69 -3.342 -0.085 0.485 1.00 0.00 N ATOM 1043 CA ALA A 69 -4.459 -0.676 -0.241 1.00 0.00 C ATOM 1044 C ALA A 69 -4.916 -1.974 0.417 1.00 0.00 C ATOM 1045 O ALA A 69 -6.113 -2.227 0.550 1.00 0.00 O ATOM 1046 CB ALA A 69 -4.075 -0.924 -1.692 1.00 0.00 C ATOM 0 H ALA A 69 -2.570 0.223 -0.107 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.291 0.028 -0.213 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.919 -1.366 -2.221 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.805 0.021 -2.164 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.225 -1.605 -1.732 1.00 0.00 H new ATOM 1052 N LYS A 70 -3.954 -2.794 0.826 1.00 0.00 N ATOM 1053 CA LYS A 70 -4.257 -4.067 1.470 1.00 0.00 C ATOM 1054 C LYS A 70 -5.113 -3.856 2.715 1.00 0.00 C ATOM 1055 O LYS A 70 -6.275 -4.259 2.753 1.00 0.00 O ATOM 1056 CB LYS A 70 -2.962 -4.792 1.845 1.00 0.00 C ATOM 1057 CG LYS A 70 -3.177 -5.987 2.758 1.00 0.00 C ATOM 1058 CD LYS A 70 -1.904 -6.357 3.502 1.00 0.00 C ATOM 1059 CE LYS A 70 -2.211 -6.995 4.848 1.00 0.00 C ATOM 1060 NZ LYS A 70 -2.319 -5.979 5.931 1.00 0.00 N ATOM 0 H LYS A 70 -2.958 -2.600 0.723 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.818 -4.679 0.764 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.465 -5.126 0.934 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.290 -4.088 2.335 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.966 -5.761 3.475 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.516 -6.839 2.169 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.315 -7.047 2.897 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -1.296 -5.465 3.651 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.144 -7.554 4.780 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.428 -7.711 5.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.529 -6.453 6.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -1.420 -5.462 6.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -3.083 -5.311 5.705 1.00 0.00 H new ATOM 1074 N GLU A 71 -4.531 -3.223 3.728 1.00 0.00 N ATOM 1075 CA GLU A 71 -5.243 -2.960 4.973 1.00 0.00 C ATOM 1076 C GLU A 71 -6.678 -2.519 4.697 1.00 0.00 C ATOM 1077 O GLU A 71 -7.606 -2.911 5.406 1.00 0.00 O ATOM 1078 CB GLU A 71 -4.516 -1.886 5.785 1.00 0.00 C ATOM 1079 CG GLU A 71 -4.856 -1.907 7.265 1.00 0.00 C ATOM 1080 CD GLU A 71 -3.767 -1.292 8.123 1.00 0.00 C ATOM 1081 OE1 GLU A 71 -2.649 -1.849 8.150 1.00 0.00 O ATOM 1082 OE2 GLU A 71 -4.032 -0.256 8.768 1.00 0.00 O ATOM 0 H GLU A 71 -3.569 -2.883 3.711 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.270 -3.885 5.548 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -3.441 -2.019 5.666 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -4.763 -0.906 5.378 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.789 -1.368 7.427 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -5.024 -2.937 7.581 1.00 0.00 H new ATOM 1089 N ILE A 72 -6.851 -1.703 3.663 1.00 0.00 N ATOM 1090 CA ILE A 72 -8.172 -1.210 3.293 1.00 0.00 C ATOM 1091 C ILE A 72 -9.015 -2.315 2.665 1.00 0.00 C ATOM 1092 O ILE A 72 -10.190 -2.479 2.996 1.00 0.00 O ATOM 1093 CB ILE A 72 -8.076 -0.030 2.307 1.00 0.00 C ATOM 1094 CG1 ILE A 72 -7.212 1.086 2.897 1.00 0.00 C ATOM 1095 CG2 ILE A 72 -9.465 0.491 1.969 1.00 0.00 C ATOM 1096 CD1 ILE A 72 -7.672 1.551 4.261 1.00 0.00 C ATOM 0 H ILE A 72 -6.094 -1.369 3.067 1.00 0.00 H new ATOM 0 HA ILE A 72 -8.650 -0.868 4.211 1.00 0.00 H new ATOM 0 HB ILE A 72 -7.606 -0.380 1.388 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -6.182 0.737 2.970 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -7.213 1.935 2.213 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -9.381 1.324 1.272 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -10.052 -0.306 1.513 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -9.959 0.829 2.880 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -7.013 2.343 4.617 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -8.691 1.931 4.191 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.644 0.714 4.959 1.00 0.00 H new ATOM 1108 N LEU A 73 -8.408 -3.072 1.758 1.00 0.00 N ATOM 1109 CA LEU A 73 -9.101 -4.164 1.084 1.00 0.00 C ATOM 1110 C LEU A 73 -9.367 -5.317 2.047 1.00 0.00 C ATOM 1111 O LEU A 73 -10.517 -5.641 2.343 1.00 0.00 O ATOM 1112 CB LEU A 73 -8.280 -4.658 -0.108 1.00 0.00 C ATOM 1113 CG LEU A 73 -8.130 -3.679 -1.273 1.00 0.00 C ATOM 1114 CD1 LEU A 73 -7.099 -4.187 -2.268 1.00 0.00 C ATOM 1115 CD2 LEU A 73 -9.471 -3.456 -1.957 1.00 0.00 C ATOM 0 H LEU A 73 -7.437 -2.950 1.472 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.059 -3.787 0.725 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.284 -4.923 0.247 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.738 -5.572 -0.485 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.783 -2.724 -0.878 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.006 -3.477 -3.090 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.135 -4.294 -1.770 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -7.416 -5.154 -2.658 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -9.346 -2.757 -2.784 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -9.847 -4.405 -2.338 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -10.182 -3.046 -1.239 1.00 0.00 H new ATOM 1127 N THR A 74 -8.294 -5.932 2.535 1.00 0.00 N ATOM 1128 CA THR A 74 -8.410 -7.048 3.465 1.00 0.00 C ATOM 1129 C THR A 74 -9.608 -6.870 4.390 1.00 0.00 C ATOM 1130 O THR A 74 -10.399 -7.792 4.581 1.00 0.00 O ATOM 1131 CB THR A 74 -7.136 -7.204 4.317 1.00 0.00 C ATOM 1132 OG1 THR A 74 -6.865 -5.987 5.019 1.00 0.00 O ATOM 1133 CG2 THR A 74 -5.944 -7.570 3.445 1.00 0.00 C ATOM 0 H THR A 74 -7.335 -5.676 2.301 1.00 0.00 H new ATOM 0 HA THR A 74 -8.549 -7.947 2.865 1.00 0.00 H new ATOM 0 HB THR A 74 -7.301 -8.007 5.035 1.00 0.00 H new ATOM 0 HG1 THR A 74 -6.641 -5.282 4.377 1.00 0.00 H new ATOM 0 HG21 THR A 74 -5.056 -7.675 4.068 1.00 0.00 H new ATOM 0 HG22 THR A 74 -6.142 -8.512 2.934 1.00 0.00 H new ATOM 0 HG23 THR A 74 -5.779 -6.785 2.707 1.00 0.00 H new ATOM 1141 N ASN A 75 -9.736 -5.677 4.962 1.00 0.00 N ATOM 1142 CA ASN A 75 -10.839 -5.378 5.869 1.00 0.00 C ATOM 1143 C ASN A 75 -12.073 -4.928 5.093 1.00 0.00 C ATOM 1144 O ASN A 75 -11.990 -4.061 4.224 1.00 0.00 O ATOM 1145 CB ASN A 75 -10.426 -4.294 6.867 1.00 0.00 C ATOM 1146 CG ASN A 75 -9.799 -4.872 8.121 1.00 0.00 C ATOM 1147 OD1 ASN A 75 -10.487 -5.445 8.965 1.00 0.00 O ATOM 1148 ND2 ASN A 75 -8.485 -4.722 8.248 1.00 0.00 N ATOM 0 H ASN A 75 -9.090 -4.902 4.814 1.00 0.00 H new ATOM 0 HA ASN A 75 -11.087 -6.289 6.414 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -9.719 -3.615 6.390 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -11.300 -3.703 7.140 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -8.007 -5.089 9.071 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -7.954 -4.240 7.523 1.00 0.00 H new ATOM 1155 N GLU A 76 -13.217 -5.523 5.416 1.00 0.00 N ATOM 1156 CA GLU A 76 -14.469 -5.183 4.749 1.00 0.00 C ATOM 1157 C GLU A 76 -14.864 -3.738 5.038 1.00 0.00 C ATOM 1158 O GLU A 76 -14.971 -2.919 4.125 1.00 0.00 O ATOM 1159 CB GLU A 76 -15.585 -6.128 5.198 1.00 0.00 C ATOM 1160 CG GLU A 76 -15.402 -7.558 4.717 1.00 0.00 C ATOM 1161 CD GLU A 76 -16.417 -8.510 5.319 1.00 0.00 C ATOM 1162 OE1 GLU A 76 -17.520 -8.640 4.748 1.00 0.00 O ATOM 1163 OE2 GLU A 76 -16.109 -9.125 6.361 1.00 0.00 O ATOM 0 H GLU A 76 -13.303 -6.242 6.134 1.00 0.00 H new ATOM 0 HA GLU A 76 -14.320 -5.293 3.675 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -15.637 -6.124 6.287 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -16.539 -5.750 4.832 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -15.484 -7.585 3.630 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -14.397 -7.897 4.970 1.00 0.00 H new ATOM 1170 N GLU A 77 -15.080 -3.434 6.314 1.00 0.00 N ATOM 1171 CA GLU A 77 -15.465 -2.088 6.723 1.00 0.00 C ATOM 1172 C GLU A 77 -14.676 -1.037 5.946 1.00 0.00 C ATOM 1173 O GLU A 77 -15.244 -0.070 5.437 1.00 0.00 O ATOM 1174 CB GLU A 77 -15.240 -1.903 8.225 1.00 0.00 C ATOM 1175 CG GLU A 77 -16.163 -0.876 8.857 1.00 0.00 C ATOM 1176 CD GLU A 77 -16.144 -0.928 10.372 1.00 0.00 C ATOM 1177 OE1 GLU A 77 -16.864 -1.772 10.945 1.00 0.00 O ATOM 1178 OE2 GLU A 77 -15.409 -0.125 10.985 1.00 0.00 O ATOM 0 H GLU A 77 -14.995 -4.101 7.081 1.00 0.00 H new ATOM 0 HA GLU A 77 -16.525 -1.958 6.503 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -15.380 -2.861 8.725 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -14.206 -1.603 8.395 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -15.870 0.121 8.528 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -17.181 -1.042 8.504 1.00 0.00 H new ATOM 1185 N SER A 78 -13.365 -1.233 5.861 1.00 0.00 N ATOM 1186 CA SER A 78 -12.497 -0.301 5.151 1.00 0.00 C ATOM 1187 C SER A 78 -12.725 -0.386 3.645 1.00 0.00 C ATOM 1188 O SER A 78 -12.935 0.629 2.980 1.00 0.00 O ATOM 1189 CB SER A 78 -11.030 -0.592 5.472 1.00 0.00 C ATOM 1190 OG SER A 78 -10.713 -0.208 6.799 1.00 0.00 O ATOM 0 H SER A 78 -12.880 -2.029 6.275 1.00 0.00 H new ATOM 0 HA SER A 78 -12.741 0.708 5.482 1.00 0.00 H new ATOM 0 HB2 SER A 78 -10.829 -1.655 5.340 1.00 0.00 H new ATOM 0 HB3 SER A 78 -10.388 -0.057 4.772 1.00 0.00 H new ATOM 0 HG SER A 78 -9.770 -0.406 6.980 1.00 0.00 H new ATOM 1196 N ARG A 79 -12.683 -1.603 3.114 1.00 0.00 N ATOM 1197 CA ARG A 79 -12.884 -1.822 1.686 1.00 0.00 C ATOM 1198 C ARG A 79 -14.137 -1.100 1.197 1.00 0.00 C ATOM 1199 O ARG A 79 -14.143 -0.509 0.118 1.00 0.00 O ATOM 1200 CB ARG A 79 -12.996 -3.318 1.388 1.00 0.00 C ATOM 1201 CG ARG A 79 -13.092 -3.638 -0.095 1.00 0.00 C ATOM 1202 CD ARG A 79 -13.395 -5.110 -0.328 1.00 0.00 C ATOM 1203 NE ARG A 79 -13.159 -5.504 -1.715 1.00 0.00 N ATOM 1204 CZ ARG A 79 -12.915 -6.754 -2.092 1.00 0.00 C ATOM 1205 NH1 ARG A 79 -12.876 -7.726 -1.191 1.00 0.00 N ATOM 1206 NH2 ARG A 79 -12.710 -7.034 -3.373 1.00 0.00 N ATOM 0 H ARG A 79 -12.512 -2.453 3.651 1.00 0.00 H new ATOM 0 HA ARG A 79 -12.021 -1.417 1.157 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -12.129 -3.829 1.806 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -13.875 -3.716 1.895 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -13.872 -3.028 -0.550 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -12.155 -3.376 -0.586 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -12.775 -5.717 0.332 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -14.433 -5.313 -0.065 1.00 0.00 H new ATOM 0 HE ARG A 79 -13.183 -4.780 -2.433 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -13.034 -7.515 -0.206 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -12.688 -8.685 -1.483 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -12.740 -6.289 -4.069 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -12.523 -7.994 -3.662 1.00 0.00 H new ATOM 1220 N ALA A 80 -15.195 -1.153 1.999 1.00 0.00 N ATOM 1221 CA ALA A 80 -16.452 -0.504 1.648 1.00 0.00 C ATOM 1222 C ALA A 80 -16.282 1.009 1.557 1.00 0.00 C ATOM 1223 O ALA A 80 -16.706 1.633 0.585 1.00 0.00 O ATOM 1224 CB ALA A 80 -17.529 -0.856 2.664 1.00 0.00 C ATOM 0 H ALA A 80 -15.207 -1.639 2.896 1.00 0.00 H new ATOM 0 HA ALA A 80 -16.759 -0.868 0.668 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -18.462 -0.365 2.390 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -17.678 -1.936 2.677 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -17.219 -0.520 3.654 1.00 0.00 H new ATOM 1230 N ARG A 81 -15.660 1.592 2.577 1.00 0.00 N ATOM 1231 CA ARG A 81 -15.436 3.032 2.612 1.00 0.00 C ATOM 1232 C ARG A 81 -14.747 3.507 1.337 1.00 0.00 C ATOM 1233 O ARG A 81 -15.212 4.437 0.677 1.00 0.00 O ATOM 1234 CB ARG A 81 -14.592 3.408 3.831 1.00 0.00 C ATOM 1235 CG ARG A 81 -15.279 3.130 5.158 1.00 0.00 C ATOM 1236 CD ARG A 81 -14.323 3.301 6.328 1.00 0.00 C ATOM 1237 NE ARG A 81 -14.885 2.787 7.574 1.00 0.00 N ATOM 1238 CZ ARG A 81 -15.818 3.421 8.276 1.00 0.00 C ATOM 1239 NH1 ARG A 81 -16.290 4.586 7.856 1.00 0.00 N ATOM 1240 NH2 ARG A 81 -16.280 2.889 9.400 1.00 0.00 N ATOM 0 H ARG A 81 -15.303 1.089 3.389 1.00 0.00 H new ATOM 0 HA ARG A 81 -16.406 3.524 2.684 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -13.652 2.857 3.796 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -14.342 4.468 3.776 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -16.127 3.805 5.278 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -15.677 2.115 5.157 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -13.389 2.783 6.111 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -14.082 4.357 6.448 1.00 0.00 H new ATOM 0 HE ARG A 81 -14.543 1.892 7.925 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -15.937 4.998 6.992 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -17.006 5.071 8.397 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -15.919 1.992 9.726 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -16.996 3.377 9.938 1.00 0.00 H new ATOM 1254 N TYR A 82 -13.636 2.862 0.996 1.00 0.00 N ATOM 1255 CA TYR A 82 -12.881 3.220 -0.199 1.00 0.00 C ATOM 1256 C TYR A 82 -13.797 3.310 -1.416 1.00 0.00 C ATOM 1257 O TYR A 82 -13.641 4.191 -2.261 1.00 0.00 O ATOM 1258 CB TYR A 82 -11.775 2.195 -0.455 1.00 0.00 C ATOM 1259 CG TYR A 82 -11.286 2.175 -1.885 1.00 0.00 C ATOM 1260 CD1 TYR A 82 -12.020 1.545 -2.882 1.00 0.00 C ATOM 1261 CD2 TYR A 82 -10.091 2.789 -2.241 1.00 0.00 C ATOM 1262 CE1 TYR A 82 -11.577 1.523 -4.190 1.00 0.00 C ATOM 1263 CE2 TYR A 82 -9.641 2.774 -3.547 1.00 0.00 C ATOM 1264 CZ TYR A 82 -10.387 2.139 -4.518 1.00 0.00 C ATOM 1265 OH TYR A 82 -9.943 2.122 -5.820 1.00 0.00 O ATOM 0 H TYR A 82 -13.239 2.089 1.530 1.00 0.00 H new ATOM 0 HA TYR A 82 -12.430 4.198 -0.033 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -10.934 2.409 0.205 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -12.143 1.203 -0.192 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -12.953 1.064 -2.630 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -9.504 3.287 -1.483 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -12.159 1.026 -4.952 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -8.710 3.257 -3.806 1.00 0.00 H new ATOM 0 HH TYR A 82 -9.090 2.601 -5.881 1.00 0.00 H new ATOM 1275 N ASP A 83 -14.754 2.391 -1.497 1.00 0.00 N ATOM 1276 CA ASP A 83 -15.697 2.366 -2.609 1.00 0.00 C ATOM 1277 C ASP A 83 -16.695 3.515 -2.501 1.00 0.00 C ATOM 1278 O ASP A 83 -17.136 4.065 -3.511 1.00 0.00 O ATOM 1279 CB ASP A 83 -16.441 1.030 -2.644 1.00 0.00 C ATOM 1280 CG ASP A 83 -17.276 0.866 -3.899 1.00 0.00 C ATOM 1281 OD1 ASP A 83 -16.686 0.725 -4.990 1.00 0.00 O ATOM 1282 OD2 ASP A 83 -18.520 0.876 -3.788 1.00 0.00 O ATOM 0 H ASP A 83 -14.897 1.654 -0.806 1.00 0.00 H new ATOM 0 HA ASP A 83 -15.133 2.484 -3.534 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -15.721 0.214 -2.581 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -17.086 0.954 -1.769 1.00 0.00 H new ATOM 1287 N HIS A 84 -17.048 3.872 -1.270 1.00 0.00 N ATOM 1288 CA HIS A 84 -17.994 4.956 -1.030 1.00 0.00 C ATOM 1289 C HIS A 84 -17.423 6.290 -1.499 1.00 0.00 C ATOM 1290 O HIS A 84 -18.154 7.154 -1.983 1.00 0.00 O ATOM 1291 CB HIS A 84 -18.348 5.033 0.455 1.00 0.00 C ATOM 1292 CG HIS A 84 -19.356 6.093 0.777 1.00 0.00 C ATOM 1293 ND1 HIS A 84 -20.715 5.861 0.791 1.00 0.00 N ATOM 1294 CD2 HIS A 84 -19.195 7.398 1.099 1.00 0.00 C ATOM 1295 CE1 HIS A 84 -21.347 6.977 1.107 1.00 0.00 C ATOM 1296 NE2 HIS A 84 -20.448 7.925 1.299 1.00 0.00 N ATOM 0 H HIS A 84 -16.693 3.427 -0.424 1.00 0.00 H new ATOM 0 HA HIS A 84 -18.899 4.748 -1.601 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -18.734 4.066 0.779 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -17.440 5.221 1.027 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -18.257 7.926 1.183 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -22.417 7.094 1.194 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -20.651 8.891 1.554 1.00 0.00 H new ATOM 1304 N TRP A 85 -16.113 6.452 -1.351 1.00 0.00 N ATOM 1305 CA TRP A 85 -15.443 7.682 -1.759 1.00 0.00 C ATOM 1306 C TRP A 85 -15.326 7.760 -3.277 1.00 0.00 C ATOM 1307 O TRP A 85 -15.468 8.832 -3.865 1.00 0.00 O ATOM 1308 CB TRP A 85 -14.055 7.766 -1.123 1.00 0.00 C ATOM 1309 CG TRP A 85 -13.174 8.800 -1.755 1.00 0.00 C ATOM 1310 CD1 TRP A 85 -12.995 10.089 -1.341 1.00 0.00 C ATOM 1311 CD2 TRP A 85 -12.353 8.633 -2.916 1.00 0.00 C ATOM 1312 NE1 TRP A 85 -12.113 10.733 -2.174 1.00 0.00 N ATOM 1313 CE2 TRP A 85 -11.703 9.861 -3.148 1.00 0.00 C ATOM 1314 CE3 TRP A 85 -12.101 7.564 -3.781 1.00 0.00 C ATOM 1315 CZ2 TRP A 85 -10.821 10.048 -4.209 1.00 0.00 C ATOM 1316 CZ3 TRP A 85 -11.226 7.752 -4.834 1.00 0.00 C ATOM 1317 CH2 TRP A 85 -10.594 8.985 -5.040 1.00 0.00 C ATOM 0 H TRP A 85 -15.493 5.747 -0.951 1.00 0.00 H new ATOM 0 HA TRP A 85 -16.043 8.525 -1.416 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -14.162 7.990 -0.062 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -13.570 6.792 -1.196 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -13.476 10.536 -0.484 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -11.812 11.703 -2.082 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -12.581 6.609 -3.629 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -10.333 10.998 -4.370 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -11.026 6.934 -5.510 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -9.914 9.099 -5.871 1.00 0.00 H new ATOM 1328 N ARG A 86 -15.067 6.619 -3.906 1.00 0.00 N ATOM 1329 CA ARG A 86 -14.930 6.560 -5.356 1.00 0.00 C ATOM 1330 C ARG A 86 -16.183 7.095 -6.043 1.00 0.00 C ATOM 1331 O ARG A 86 -16.113 7.645 -7.142 1.00 0.00 O ATOM 1332 CB ARG A 86 -14.663 5.122 -5.806 1.00 0.00 C ATOM 1333 CG ARG A 86 -13.207 4.705 -5.682 1.00 0.00 C ATOM 1334 CD ARG A 86 -12.904 3.478 -6.529 1.00 0.00 C ATOM 1335 NE ARG A 86 -13.053 3.749 -7.956 1.00 0.00 N ATOM 1336 CZ ARG A 86 -13.266 2.803 -8.865 1.00 0.00 C ATOM 1337 NH1 ARG A 86 -13.355 1.533 -8.496 1.00 0.00 N ATOM 1338 NH2 ARG A 86 -13.391 3.128 -10.145 1.00 0.00 N ATOM 0 H ARG A 86 -14.948 5.723 -3.434 1.00 0.00 H new ATOM 0 HA ARG A 86 -14.085 7.186 -5.642 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -15.278 4.445 -5.213 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -14.977 5.011 -6.844 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -12.564 5.529 -5.991 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -12.976 4.494 -4.638 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -11.887 3.141 -6.328 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -13.572 2.666 -6.242 1.00 0.00 H new ATOM 0 HE ARG A 86 -12.990 4.717 -8.272 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -13.260 1.280 -7.512 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -13.519 0.809 -9.196 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -13.324 4.104 -10.432 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -13.554 2.401 -10.842 1.00 0.00 H new ATOM 1352 N ARG A 87 -17.327 6.929 -5.388 1.00 0.00 N ATOM 1353 CA ARG A 87 -18.595 7.394 -5.936 1.00 0.00 C ATOM 1354 C ARG A 87 -18.628 8.918 -6.014 1.00 0.00 C ATOM 1355 O ARG A 87 -19.409 9.494 -6.771 1.00 0.00 O ATOM 1356 CB ARG A 87 -19.760 6.891 -5.080 1.00 0.00 C ATOM 1357 CG ARG A 87 -19.848 5.376 -5.002 1.00 0.00 C ATOM 1358 CD ARG A 87 -19.997 4.754 -6.381 1.00 0.00 C ATOM 1359 NE ARG A 87 -21.153 5.286 -7.099 1.00 0.00 N ATOM 1360 CZ ARG A 87 -21.748 4.654 -8.105 1.00 0.00 C ATOM 1361 NH1 ARG A 87 -21.299 3.474 -8.509 1.00 0.00 N ATOM 1362 NH2 ARG A 87 -22.795 5.203 -8.708 1.00 0.00 N ATOM 0 H ARG A 87 -17.402 6.476 -4.477 1.00 0.00 H new ATOM 0 HA ARG A 87 -18.695 6.994 -6.945 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -19.659 7.293 -4.072 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -20.693 7.280 -5.487 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -18.953 4.983 -4.519 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -20.697 5.091 -4.380 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -19.093 4.939 -6.962 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -20.097 3.673 -6.282 1.00 0.00 H new ATOM 0 HE ARG A 87 -21.523 6.192 -6.812 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -20.495 3.049 -8.047 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -21.758 2.991 -9.282 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -23.143 6.111 -8.399 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -23.251 4.717 -9.480 1.00 0.00 H new ATOM 1376 N SER A 88 -17.776 9.564 -5.225 1.00 0.00 N ATOM 1377 CA SER A 88 -17.710 11.020 -5.201 1.00 0.00 C ATOM 1378 C SER A 88 -16.411 11.516 -5.830 1.00 0.00 C ATOM 1379 O SER A 88 -16.274 12.698 -6.144 1.00 0.00 O ATOM 1380 CB SER A 88 -17.823 11.534 -3.764 1.00 0.00 C ATOM 1381 OG SER A 88 -19.175 11.765 -3.409 1.00 0.00 O ATOM 0 H SER A 88 -17.122 9.102 -4.594 1.00 0.00 H new ATOM 0 HA SER A 88 -18.546 11.406 -5.784 1.00 0.00 H new ATOM 0 HB2 SER A 88 -17.383 10.809 -3.080 1.00 0.00 H new ATOM 0 HB3 SER A 88 -17.253 12.457 -3.659 1.00 0.00 H new ATOM 0 HG SER A 88 -19.220 12.091 -2.486 1.00 0.00 H new ATOM 1387 N GLN A 89 -15.462 10.603 -6.010 1.00 0.00 N ATOM 1388 CA GLN A 89 -14.174 10.947 -6.600 1.00 0.00 C ATOM 1389 C GLN A 89 -13.747 12.354 -6.194 1.00 0.00 C ATOM 1390 O GLN A 89 -13.154 13.086 -6.986 1.00 0.00 O ATOM 1391 CB GLN A 89 -14.244 10.843 -8.125 1.00 0.00 C ATOM 1392 CG GLN A 89 -15.381 11.645 -8.738 1.00 0.00 C ATOM 1393 CD GLN A 89 -15.118 13.138 -8.719 1.00 0.00 C ATOM 1394 OE1 GLN A 89 -15.933 13.917 -8.224 1.00 0.00 O ATOM 1395 NE2 GLN A 89 -13.976 13.545 -9.260 1.00 0.00 N ATOM 0 H GLN A 89 -15.561 9.620 -5.756 1.00 0.00 H new ATOM 0 HA GLN A 89 -13.432 10.240 -6.228 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -13.300 11.186 -8.548 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -14.357 9.796 -8.405 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -15.536 11.320 -9.767 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -16.303 11.435 -8.195 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -13.330 12.864 -9.659 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -13.745 14.538 -9.277 1.00 0.00 H new ATOM 1404 N MET A 90 -14.054 12.725 -4.955 1.00 0.00 N ATOM 1405 CA MET A 90 -13.701 14.044 -4.444 1.00 0.00 C ATOM 1406 C MET A 90 -12.338 14.485 -4.970 1.00 0.00 C ATOM 1407 O MET A 90 -11.503 13.655 -5.328 1.00 0.00 O ATOM 1408 CB MET A 90 -13.690 14.036 -2.914 1.00 0.00 C ATOM 1409 CG MET A 90 -15.075 13.920 -2.298 1.00 0.00 C ATOM 1410 SD MET A 90 -15.058 14.131 -0.507 1.00 0.00 S ATOM 1411 CE MET A 90 -16.217 12.860 -0.006 1.00 0.00 C ATOM 0 H MET A 90 -14.546 12.131 -4.287 1.00 0.00 H new ATOM 0 HA MET A 90 -14.452 14.753 -4.792 1.00 0.00 H new ATOM 0 HB2 MET A 90 -13.076 13.205 -2.567 1.00 0.00 H new ATOM 0 HB3 MET A 90 -13.218 14.951 -2.557 1.00 0.00 H new ATOM 0 HG2 MET A 90 -15.730 14.670 -2.742 1.00 0.00 H new ATOM 0 HG3 MET A 90 -15.496 12.944 -2.541 1.00 0.00 H new ATOM 0 HE1 MET A 90 -16.315 12.864 1.080 1.00 0.00 H new ATOM 0 HE2 MET A 90 -17.189 13.055 -0.459 1.00 0.00 H new ATOM 0 HE3 MET A 90 -15.853 11.886 -0.334 1.00 0.00 H new ATOM 1421 N SER A 91 -12.122 15.795 -5.016 1.00 0.00 N ATOM 1422 CA SER A 91 -10.863 16.346 -5.503 1.00 0.00 C ATOM 1423 C SER A 91 -9.675 15.615 -4.884 1.00 0.00 C ATOM 1424 O SER A 91 -8.752 15.202 -5.586 1.00 0.00 O ATOM 1425 CB SER A 91 -10.778 17.840 -5.186 1.00 0.00 C ATOM 1426 OG SER A 91 -11.910 18.532 -5.684 1.00 0.00 O ATOM 0 H SER A 91 -12.803 16.495 -4.722 1.00 0.00 H new ATOM 0 HA SER A 91 -10.829 16.209 -6.584 1.00 0.00 H new ATOM 0 HB2 SER A 91 -10.706 17.983 -4.108 1.00 0.00 H new ATOM 0 HB3 SER A 91 -9.871 18.257 -5.624 1.00 0.00 H new ATOM 0 HG SER A 91 -11.833 19.485 -5.467 1.00 0.00 H new ATOM 1432 N MET A 92 -9.706 15.459 -3.565 1.00 0.00 N ATOM 1433 CA MET A 92 -8.633 14.777 -2.850 1.00 0.00 C ATOM 1434 C MET A 92 -8.840 13.266 -2.873 1.00 0.00 C ATOM 1435 O MET A 92 -9.958 12.771 -3.011 1.00 0.00 O ATOM 1436 CB MET A 92 -8.559 15.272 -1.405 1.00 0.00 C ATOM 1437 CG MET A 92 -9.421 14.471 -0.443 1.00 0.00 C ATOM 1438 SD MET A 92 -11.178 14.572 -0.835 1.00 0.00 S ATOM 1439 CE MET A 92 -11.899 14.429 0.798 1.00 0.00 C ATOM 0 H MET A 92 -10.462 15.795 -2.969 1.00 0.00 H new ATOM 0 HA MET A 92 -7.693 15.005 -3.352 1.00 0.00 H new ATOM 0 HB2 MET A 92 -7.523 15.234 -1.069 1.00 0.00 H new ATOM 0 HB3 MET A 92 -8.867 16.317 -1.371 1.00 0.00 H new ATOM 0 HG2 MET A 92 -9.108 13.427 -0.464 1.00 0.00 H new ATOM 0 HG3 MET A 92 -9.258 14.833 0.572 1.00 0.00 H new ATOM 0 HE1 MET A 92 -12.600 13.595 0.814 1.00 0.00 H new ATOM 0 HE2 MET A 92 -11.110 14.255 1.530 1.00 0.00 H new ATOM 0 HE3 MET A 92 -12.426 15.351 1.045 1.00 0.00 H new ATOM 1449 N PRO A 93 -7.737 12.515 -2.735 1.00 0.00 N ATOM 1450 CA PRO A 93 -7.773 11.050 -2.736 1.00 0.00 C ATOM 1451 C PRO A 93 -8.433 10.485 -1.483 1.00 0.00 C ATOM 1452 O PRO A 93 -8.597 11.187 -0.485 1.00 0.00 O ATOM 1453 CB PRO A 93 -6.293 10.659 -2.782 1.00 0.00 C ATOM 1454 CG PRO A 93 -5.576 11.821 -2.186 1.00 0.00 C ATOM 1455 CD PRO A 93 -6.371 13.039 -2.566 1.00 0.00 C ATOM 0 HA PRO A 93 -8.359 10.658 -3.567 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.107 9.746 -2.216 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.964 10.473 -3.804 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -5.507 11.723 -1.103 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -4.556 11.887 -2.566 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -6.327 13.805 -1.792 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -5.998 13.492 -3.484 1.00 0.00 H new ATOM 1463 N PHE A 94 -8.811 9.212 -1.541 1.00 0.00 N ATOM 1464 CA PHE A 94 -9.454 8.553 -0.410 1.00 0.00 C ATOM 1465 C PHE A 94 -8.580 8.636 0.837 1.00 0.00 C ATOM 1466 O PHE A 94 -9.054 8.987 1.917 1.00 0.00 O ATOM 1467 CB PHE A 94 -9.746 7.089 -0.745 1.00 0.00 C ATOM 1468 CG PHE A 94 -10.138 6.267 0.450 1.00 0.00 C ATOM 1469 CD1 PHE A 94 -11.388 6.414 1.028 1.00 0.00 C ATOM 1470 CD2 PHE A 94 -9.255 5.348 0.994 1.00 0.00 C ATOM 1471 CE1 PHE A 94 -11.750 5.660 2.128 1.00 0.00 C ATOM 1472 CE2 PHE A 94 -9.612 4.590 2.094 1.00 0.00 C ATOM 1473 CZ PHE A 94 -10.862 4.746 2.661 1.00 0.00 C ATOM 0 H PHE A 94 -8.683 8.616 -2.359 1.00 0.00 H new ATOM 0 HA PHE A 94 -10.394 9.067 -0.208 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -10.546 7.046 -1.484 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -8.863 6.647 -1.206 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -12.087 7.126 0.615 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -8.277 5.222 0.554 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -12.727 5.785 2.571 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -8.915 3.877 2.509 1.00 0.00 H new ATOM 0 HZ PHE A 94 -11.144 4.154 3.519 1.00 0.00 H new ATOM 1483 N GLN A 95 -7.301 8.310 0.679 1.00 0.00 N ATOM 1484 CA GLN A 95 -6.360 8.347 1.793 1.00 0.00 C ATOM 1485 C GLN A 95 -6.649 9.531 2.711 1.00 0.00 C ATOM 1486 O GLN A 95 -6.805 9.366 3.920 1.00 0.00 O ATOM 1487 CB GLN A 95 -4.924 8.428 1.273 1.00 0.00 C ATOM 1488 CG GLN A 95 -4.627 9.705 0.503 1.00 0.00 C ATOM 1489 CD GLN A 95 -3.374 9.598 -0.343 1.00 0.00 C ATOM 1490 OE1 GLN A 95 -2.874 8.502 -0.597 1.00 0.00 O ATOM 1491 NE2 GLN A 95 -2.859 10.739 -0.786 1.00 0.00 N ATOM 0 H GLN A 95 -6.893 8.018 -0.209 1.00 0.00 H new ATOM 0 HA GLN A 95 -6.479 7.428 2.367 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -4.237 8.353 2.116 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -4.731 7.571 0.627 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -5.475 9.943 -0.139 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -4.517 10.531 1.205 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -3.306 11.625 -0.551 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -2.016 10.729 -1.361 1.00 0.00 H new ATOM 1500 N GLN A 96 -6.719 10.723 2.127 1.00 0.00 N ATOM 1501 CA GLN A 96 -6.988 11.934 2.893 1.00 0.00 C ATOM 1502 C GLN A 96 -8.331 11.838 3.609 1.00 0.00 C ATOM 1503 O GLN A 96 -8.396 11.890 4.837 1.00 0.00 O ATOM 1504 CB GLN A 96 -6.972 13.157 1.975 1.00 0.00 C ATOM 1505 CG GLN A 96 -6.950 14.480 2.725 1.00 0.00 C ATOM 1506 CD GLN A 96 -7.194 15.669 1.817 1.00 0.00 C ATOM 1507 OE1 GLN A 96 -6.375 15.984 0.953 1.00 0.00 O ATOM 1508 NE2 GLN A 96 -8.326 16.337 2.007 1.00 0.00 N ATOM 0 H GLN A 96 -6.593 10.876 1.126 1.00 0.00 H new ATOM 0 HA GLN A 96 -6.204 12.041 3.643 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -6.098 13.102 1.326 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -7.850 13.129 1.330 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -7.709 14.463 3.507 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -5.986 14.597 3.220 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -8.977 16.041 2.735 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -8.545 17.146 1.425 1.00 0.00 H new ATOM 1517 N TRP A 97 -9.400 11.698 2.833 1.00 0.00 N ATOM 1518 CA TRP A 97 -10.743 11.596 3.394 1.00 0.00 C ATOM 1519 C TRP A 97 -10.758 10.667 4.603 1.00 0.00 C ATOM 1520 O TRP A 97 -11.356 10.983 5.631 1.00 0.00 O ATOM 1521 CB TRP A 97 -11.723 11.090 2.334 1.00 0.00 C ATOM 1522 CG TRP A 97 -13.154 11.144 2.775 1.00 0.00 C ATOM 1523 CD1 TRP A 97 -13.888 12.265 3.041 1.00 0.00 C ATOM 1524 CD2 TRP A 97 -14.024 10.030 3.003 1.00 0.00 C ATOM 1525 NE1 TRP A 97 -15.161 11.914 3.420 1.00 0.00 N ATOM 1526 CE2 TRP A 97 -15.270 10.549 3.404 1.00 0.00 C ATOM 1527 CE3 TRP A 97 -13.871 8.644 2.905 1.00 0.00 C ATOM 1528 CZ2 TRP A 97 -16.354 9.730 3.708 1.00 0.00 C ATOM 1529 CZ3 TRP A 97 -14.948 7.832 3.206 1.00 0.00 C ATOM 1530 CH2 TRP A 97 -16.177 8.377 3.603 1.00 0.00 C ATOM 0 H TRP A 97 -9.363 11.653 1.815 1.00 0.00 H new ATOM 0 HA TRP A 97 -11.051 12.590 3.719 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -11.607 11.685 1.428 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -11.468 10.062 2.075 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -13.522 13.278 2.965 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -15.905 12.565 3.672 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -12.928 8.215 2.600 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -17.301 10.148 4.016 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -14.841 6.760 3.134 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -17.000 7.716 3.830 1.00 0.00 H new ATOM 1541 N GLU A 98 -10.097 9.521 4.472 1.00 0.00 N ATOM 1542 CA GLU A 98 -10.036 8.547 5.556 1.00 0.00 C ATOM 1543 C GLU A 98 -9.630 9.216 6.866 1.00 0.00 C ATOM 1544 O GLU A 98 -10.221 8.960 7.915 1.00 0.00 O ATOM 1545 CB GLU A 98 -9.049 7.430 5.213 1.00 0.00 C ATOM 1546 CG GLU A 98 -9.414 6.087 5.822 1.00 0.00 C ATOM 1547 CD GLU A 98 -9.350 6.096 7.336 1.00 0.00 C ATOM 1548 OE1 GLU A 98 -8.464 6.783 7.888 1.00 0.00 O ATOM 1549 OE2 GLU A 98 -10.184 5.418 7.970 1.00 0.00 O ATOM 0 H GLU A 98 -9.597 9.244 3.627 1.00 0.00 H new ATOM 0 HA GLU A 98 -11.030 8.117 5.681 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -8.994 7.325 4.129 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -8.055 7.717 5.556 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -10.420 5.811 5.506 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -8.738 5.323 5.438 1.00 0.00 H new ATOM 1556 N ALA A 99 -8.617 10.073 6.797 1.00 0.00 N ATOM 1557 CA ALA A 99 -8.132 10.779 7.976 1.00 0.00 C ATOM 1558 C ALA A 99 -9.233 11.633 8.596 1.00 0.00 C ATOM 1559 O ALA A 99 -9.171 11.983 9.776 1.00 0.00 O ATOM 1560 CB ALA A 99 -6.931 11.642 7.618 1.00 0.00 C ATOM 0 H ALA A 99 -8.116 10.295 5.937 1.00 0.00 H new ATOM 0 HA ALA A 99 -7.825 10.037 8.713 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -6.579 12.163 8.508 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -6.133 11.011 7.228 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -7.220 12.371 6.861 1.00 0.00 H new ATOM 1566 N LEU A 100 -10.240 11.964 7.796 1.00 0.00 N ATOM 1567 CA LEU A 100 -11.355 12.778 8.266 1.00 0.00 C ATOM 1568 C LEU A 100 -12.466 11.902 8.836 1.00 0.00 C ATOM 1569 O LEU A 100 -13.173 12.302 9.760 1.00 0.00 O ATOM 1570 CB LEU A 100 -11.903 13.637 7.124 1.00 0.00 C ATOM 1571 CG LEU A 100 -11.185 14.964 6.879 1.00 0.00 C ATOM 1572 CD1 LEU A 100 -9.910 14.742 6.080 1.00 0.00 C ATOM 1573 CD2 LEU A 100 -12.103 15.942 6.160 1.00 0.00 C ATOM 0 H LEU A 100 -10.307 11.681 6.818 1.00 0.00 H new ATOM 0 HA LEU A 100 -10.988 13.430 9.059 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -11.866 13.052 6.205 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -12.953 13.847 7.326 1.00 0.00 H new ATOM 0 HG LEU A 100 -10.915 15.392 7.844 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.413 15.698 5.915 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.246 14.078 6.632 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -10.157 14.291 5.119 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -11.575 16.881 5.994 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -12.404 15.520 5.201 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -12.988 16.126 6.770 1.00 0.00 H new ATOM 1585 N ASN A 101 -12.612 10.704 8.280 1.00 0.00 N ATOM 1586 CA ASN A 101 -13.636 9.770 8.735 1.00 0.00 C ATOM 1587 C ASN A 101 -13.025 8.674 9.603 1.00 0.00 C ATOM 1588 O ASN A 101 -13.281 7.488 9.395 1.00 0.00 O ATOM 1589 CB ASN A 101 -14.355 9.146 7.537 1.00 0.00 C ATOM 1590 CG ASN A 101 -13.392 8.521 6.546 1.00 0.00 C ATOM 1591 OD1 ASN A 101 -12.981 9.158 5.576 1.00 0.00 O ATOM 1592 ND2 ASN A 101 -13.027 7.267 6.787 1.00 0.00 N ATOM 0 H ASN A 101 -12.035 10.357 7.514 1.00 0.00 H new ATOM 0 HA ASN A 101 -14.358 10.324 9.335 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -15.052 8.386 7.891 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -14.946 9.911 7.033 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -12.381 6.794 6.156 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -13.393 6.777 7.604 1.00 0.00 H new ATOM 1599 N ASP A 102 -12.217 9.079 10.576 1.00 0.00 N ATOM 1600 CA ASP A 102 -11.571 8.132 11.478 1.00 0.00 C ATOM 1601 C ASP A 102 -10.931 8.856 12.658 1.00 0.00 C ATOM 1602 O ASP A 102 -10.762 10.075 12.634 1.00 0.00 O ATOM 1603 CB ASP A 102 -10.514 7.321 10.727 1.00 0.00 C ATOM 1604 CG ASP A 102 -10.121 6.057 11.467 1.00 0.00 C ATOM 1605 OD1 ASP A 102 -10.950 5.126 11.534 1.00 0.00 O ATOM 1606 OD2 ASP A 102 -8.983 6.000 11.978 1.00 0.00 O ATOM 0 H ASP A 102 -11.993 10.057 10.761 1.00 0.00 H new ATOM 0 HA ASP A 102 -12.334 7.454 11.861 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -10.895 7.057 9.741 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -9.629 7.938 10.572 1.00 0.00 H new ATOM 1611 N SER A 103 -10.577 8.097 13.690 1.00 0.00 N ATOM 1612 CA SER A 103 -9.960 8.666 14.882 1.00 0.00 C ATOM 1613 C SER A 103 -8.439 8.630 14.777 1.00 0.00 C ATOM 1614 O SER A 103 -7.837 7.561 14.671 1.00 0.00 O ATOM 1615 CB SER A 103 -10.414 7.906 16.130 1.00 0.00 C ATOM 1616 OG SER A 103 -11.715 8.305 16.525 1.00 0.00 O ATOM 0 H SER A 103 -10.707 7.086 13.724 1.00 0.00 H new ATOM 0 HA SER A 103 -10.277 9.706 14.963 1.00 0.00 H new ATOM 0 HB2 SER A 103 -10.404 6.834 15.931 1.00 0.00 H new ATOM 0 HB3 SER A 103 -9.712 8.086 16.944 1.00 0.00 H new ATOM 0 HG SER A 103 -11.983 7.804 17.323 1.00 0.00 H new ATOM 1622 N VAL A 104 -7.822 9.807 14.806 1.00 0.00 N ATOM 1623 CA VAL A 104 -6.370 9.912 14.714 1.00 0.00 C ATOM 1624 C VAL A 104 -5.909 11.351 14.919 1.00 0.00 C ATOM 1625 O VAL A 104 -6.227 12.236 14.124 1.00 0.00 O ATOM 1626 CB VAL A 104 -5.856 9.409 13.353 1.00 0.00 C ATOM 1627 CG1 VAL A 104 -6.433 10.246 12.221 1.00 0.00 C ATOM 1628 CG2 VAL A 104 -4.335 9.427 13.318 1.00 0.00 C ATOM 0 H VAL A 104 -8.305 10.701 14.892 1.00 0.00 H new ATOM 0 HA VAL A 104 -5.957 9.285 15.504 1.00 0.00 H new ATOM 0 HB VAL A 104 -6.188 8.380 13.217 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -6.058 9.875 11.267 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -7.521 10.177 12.235 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -6.134 11.286 12.349 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -3.989 9.068 12.349 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -3.979 10.445 13.476 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -3.945 8.780 14.104 1.00 0.00 H new ATOM 1638 N LYS A 105 -5.157 11.578 15.991 1.00 0.00 N ATOM 1639 CA LYS A 105 -4.649 12.909 16.301 1.00 0.00 C ATOM 1640 C LYS A 105 -3.514 13.292 15.358 1.00 0.00 C ATOM 1641 O LYS A 105 -3.409 14.442 14.929 1.00 0.00 O ATOM 1642 CB LYS A 105 -4.163 12.967 17.751 1.00 0.00 C ATOM 1643 CG LYS A 105 -3.460 14.266 18.106 1.00 0.00 C ATOM 1644 CD LYS A 105 -4.447 15.413 18.249 1.00 0.00 C ATOM 1645 CE LYS A 105 -3.745 16.761 18.197 1.00 0.00 C ATOM 1646 NZ LYS A 105 -3.241 17.071 16.830 1.00 0.00 N ATOM 0 H LYS A 105 -4.886 10.857 16.660 1.00 0.00 H new ATOM 0 HA LYS A 105 -5.464 13.621 16.168 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -5.015 12.831 18.417 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -3.483 12.135 17.931 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -2.910 14.140 19.038 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -2.729 14.508 17.335 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -5.189 15.357 17.453 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -4.984 15.317 19.193 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -4.435 17.542 18.516 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -2.912 16.764 18.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -2.230 17.310 16.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -3.372 16.242 16.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -3.769 17.878 16.440 1.00 0.00 H new ATOM 1660 N THR A 106 -2.665 12.321 15.036 1.00 0.00 N ATOM 1661 CA THR A 106 -1.537 12.556 14.143 1.00 0.00 C ATOM 1662 C THR A 106 -0.615 13.638 14.694 1.00 0.00 C ATOM 1663 O THR A 106 -0.120 14.484 13.949 1.00 0.00 O ATOM 1664 CB THR A 106 -2.011 12.969 12.737 1.00 0.00 C ATOM 1665 OG1 THR A 106 -3.001 12.049 12.263 1.00 0.00 O ATOM 1666 CG2 THR A 106 -0.843 13.011 11.763 1.00 0.00 C ATOM 0 H THR A 106 -2.737 11.364 15.381 1.00 0.00 H new ATOM 0 HA THR A 106 -0.989 11.617 14.073 1.00 0.00 H new ATOM 0 HB THR A 106 -2.445 13.967 12.803 1.00 0.00 H new ATOM 0 HG1 THR A 106 -3.298 12.320 11.369 1.00 0.00 H new ATOM 0 HG21 THR A 106 -1.202 13.305 10.777 1.00 0.00 H new ATOM 0 HG22 THR A 106 -0.105 13.734 12.111 1.00 0.00 H new ATOM 0 HG23 THR A 106 -0.384 12.024 11.703 1.00 0.00 H new ATOM 1674 N SER A 107 -0.389 13.605 16.004 1.00 0.00 N ATOM 1675 CA SER A 107 0.472 14.586 16.655 1.00 0.00 C ATOM 1676 C SER A 107 1.928 14.131 16.633 1.00 0.00 C ATOM 1677 O SER A 107 2.216 12.937 16.562 1.00 0.00 O ATOM 1678 CB SER A 107 0.019 14.814 18.099 1.00 0.00 C ATOM 1679 OG SER A 107 -0.001 13.598 18.825 1.00 0.00 O ATOM 0 H SER A 107 -0.790 12.910 16.635 1.00 0.00 H new ATOM 0 HA SER A 107 0.394 15.523 16.104 1.00 0.00 H new ATOM 0 HB2 SER A 107 0.690 15.521 18.587 1.00 0.00 H new ATOM 0 HB3 SER A 107 -0.975 15.261 18.105 1.00 0.00 H new ATOM 0 HG SER A 107 -0.292 13.771 19.745 1.00 0.00 H new ATOM 1685 N GLY A 108 2.843 15.093 16.695 1.00 0.00 N ATOM 1686 CA GLY A 108 4.258 14.772 16.681 1.00 0.00 C ATOM 1687 C GLY A 108 4.768 14.460 15.288 1.00 0.00 C ATOM 1688 O GLY A 108 4.174 14.852 14.284 1.00 0.00 O ATOM 0 H GLY A 108 2.630 16.089 16.755 1.00 0.00 H new ATOM 0 HA2 GLY A 108 4.822 15.610 17.092 1.00 0.00 H new ATOM 0 HA3 GLY A 108 4.440 13.916 17.331 1.00 0.00 H new ATOM 1692 N PRO A 109 5.896 13.738 15.214 1.00 0.00 N ATOM 1693 CA PRO A 109 6.512 13.358 13.939 1.00 0.00 C ATOM 1694 C PRO A 109 5.685 12.325 13.182 1.00 0.00 C ATOM 1695 O PRO A 109 5.303 11.294 13.736 1.00 0.00 O ATOM 1696 CB PRO A 109 7.858 12.763 14.358 1.00 0.00 C ATOM 1697 CG PRO A 109 7.643 12.283 15.752 1.00 0.00 C ATOM 1698 CD PRO A 109 6.658 13.237 16.371 1.00 0.00 C ATOM 0 HA PRO A 109 6.599 14.206 13.260 1.00 0.00 H new ATOM 0 HB2 PRO A 109 8.152 11.946 13.699 1.00 0.00 H new ATOM 0 HB3 PRO A 109 8.651 13.509 14.314 1.00 0.00 H new ATOM 0 HG2 PRO A 109 7.256 11.264 15.759 1.00 0.00 H new ATOM 0 HG3 PRO A 109 8.579 12.272 16.310 1.00 0.00 H new ATOM 0 HD2 PRO A 109 6.012 12.736 17.092 1.00 0.00 H new ATOM 0 HD3 PRO A 109 7.161 14.045 16.902 1.00 0.00 H new ATOM 1706 N SER A 110 5.413 12.607 11.912 1.00 0.00 N ATOM 1707 CA SER A 110 4.628 11.703 11.079 1.00 0.00 C ATOM 1708 C SER A 110 5.303 11.485 9.728 1.00 0.00 C ATOM 1709 O SER A 110 5.395 10.358 9.242 1.00 0.00 O ATOM 1710 CB SER A 110 3.218 12.259 10.874 1.00 0.00 C ATOM 1711 OG SER A 110 2.353 11.271 10.342 1.00 0.00 O ATOM 0 H SER A 110 5.725 13.454 11.437 1.00 0.00 H new ATOM 0 HA SER A 110 4.561 10.743 11.591 1.00 0.00 H new ATOM 0 HB2 SER A 110 2.824 12.619 11.824 1.00 0.00 H new ATOM 0 HB3 SER A 110 3.256 13.115 10.200 1.00 0.00 H new ATOM 0 HG SER A 110 1.458 11.651 10.222 1.00 0.00 H new ATOM 1717 N SER A 111 5.773 12.574 9.127 1.00 0.00 N ATOM 1718 CA SER A 111 6.436 12.504 7.830 1.00 0.00 C ATOM 1719 C SER A 111 7.511 13.581 7.711 1.00 0.00 C ATOM 1720 O SER A 111 7.611 14.470 8.555 1.00 0.00 O ATOM 1721 CB SER A 111 5.414 12.661 6.702 1.00 0.00 C ATOM 1722 OG SER A 111 4.816 13.945 6.731 1.00 0.00 O ATOM 0 H SER A 111 5.707 13.514 9.517 1.00 0.00 H new ATOM 0 HA SER A 111 6.913 11.528 7.745 1.00 0.00 H new ATOM 0 HB2 SER A 111 5.903 12.506 5.740 1.00 0.00 H new ATOM 0 HB3 SER A 111 4.644 11.895 6.796 1.00 0.00 H new ATOM 0 HG SER A 111 4.168 14.021 5.999 1.00 0.00 H new ATOM 1728 N GLY A 112 8.314 13.492 6.655 1.00 0.00 N ATOM 1729 CA GLY A 112 9.372 14.463 6.444 1.00 0.00 C ATOM 1730 C GLY A 112 10.365 14.497 7.588 1.00 0.00 C ATOM 1731 O GLY A 112 10.022 14.179 8.727 1.00 0.00 O ATOM 0 H GLY A 112 8.251 12.765 5.942 1.00 0.00 H new ATOM 0 HA2 GLY A 112 9.897 14.228 5.518 1.00 0.00 H new ATOM 0 HA3 GLY A 112 8.933 15.453 6.319 1.00 0.00 H new TER 1735 GLY A 112