USER MOD reduce.3.24.130724 H: found=0, std=0, add=887, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 864 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 37 THR OG1 : rot 180:sc= 0.0775 USER MOD Set 1.2: A 76 THR OG1 : rot 74:sc= -0.023 USER MOD Set 2.1: A 21 SER OG : rot -72:sc= -4.95! USER MOD Set 2.2: A 95 GLN : amide:sc= 0.0901 X(o=-4.9,f=-4.9) USER MOD Single : A 4 GLN : amide:sc= -7.57! C(o=-7.6!,f=-2.6!) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 30:sc= -0.35 USER MOD Single : A 11 SER OG : rot 43:sc= -1.04 USER MOD Single : A 16 TYR OH : rot 113:sc= 0.703 USER MOD Single : A 20 HIS : no HE2:sc= -31.7! C(o=-32!,f=-32!) USER MOD Single : A 22 THR OG1 : rot 110:sc= -5.25! USER MOD Single : A 24 SER OG : rot 136:sc= -3.46! USER MOD Single : A 26 MET CE :methyl -140:sc= -7.94! (180deg=-12.1!) USER MOD Single : A 27 LYS NZ :NH3+ -123:sc=-0.00577 (180deg=-2.56!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 166:sc= -2.05! (180deg=-3.07!) USER MOD Single : A 35 ASN : amide:sc= -27.1! C(o=-27!,f=-34!) USER MOD Single : A 38 HIS : no HD1:sc= -31.9! C(o=-32!,f=-29!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= -29.1! (180deg=-29.1!) USER MOD Single : A 44 ASN : amide:sc= -24.1! C(o=-24!,f=-19!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.416 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -2.38 K(o=-2.4,f=-4.8!) USER MOD Single : A 65 LYS NZ :NH3+ 154:sc= -0.204 (180deg=-1.59!) USER MOD Single : A 67 GLN : amide:sc= -34.3! C(o=-34!,f=-44!) USER MOD Single : A 72 LYS NZ :NH3+ -145:sc= -0.281 (180deg=-0.929) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -54.5! C(o=-55!,f=-59!) USER MOD Single : A 81 ASN : amide:sc= -0.656 K(o=-0.66,f=-0.037) USER MOD Single : A 84 LYS NZ :NH3+ 175:sc= -2.62! (180deg=-3.18!) USER MOD Single : A 85 GLN : amide:sc= -4.85! C(o=-4.8!,f=-1.8!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 120:sc= -6.17! USER MOD Single : A 93 TYR OH : rot -102:sc= 0.42 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ 164:sc= -0.664 (180deg=-1.85!) USER MOD Single : A 117 HIS : no HD1:sc= -1.35 K(o=-1.4,f=-2.8!) USER MOD Single : A 118 HIS : no HD1:sc= -4.79! C(o=-4.8!,f=-4.3!) USER MOD Single : A 119 HIS : no HE2:sc= -3.59! C(o=-3.6!,f=-12!) USER MOD Single : A 121 SER OG : rot -80:sc= 0.103 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 26 N GLN A 4 -1.389 -3.289 9.037 1.00 1.00 N ATOM 27 CA GLN A 4 -1.307 -3.883 7.671 1.00 1.00 C ATOM 28 C GLN A 4 -1.505 -2.804 6.603 1.00 1.00 C ATOM 29 O GLN A 4 -2.612 -2.529 6.186 1.00 1.00 O ATOM 30 CB GLN A 4 -2.444 -4.905 7.618 1.00 1.00 C ATOM 31 CG GLN A 4 -2.068 -6.130 8.452 1.00 1.00 C ATOM 32 CD GLN A 4 -2.970 -6.204 9.686 1.00 1.00 C ATOM 33 OE1 GLN A 4 -2.847 -5.403 10.591 1.00 1.00 O ATOM 34 NE2 GLN A 4 -3.877 -7.139 9.762 1.00 1.00 N ATOM 0 HA GLN A 4 -0.336 -4.338 7.479 1.00 1.00 H new ATOM 0 HB2 GLN A 4 -3.364 -4.461 7.998 1.00 1.00 H new ATOM 0 HB3 GLN A 4 -2.635 -5.199 6.586 1.00 1.00 H new ATOM 0 HG2 GLN A 4 -2.175 -7.036 7.855 1.00 1.00 H new ATOM 0 HG3 GLN A 4 -1.023 -6.070 8.755 1.00 1.00 H new ATOM 0 HE21 GLN A 4 -3.981 -7.812 9.002 1.00 1.00 H new ATOM 0 HE22 GLN A 4 -4.482 -7.197 10.581 1.00 1.00 H new ATOM 43 N ILE A 5 -0.442 -2.205 6.142 1.00 1.00 N ATOM 44 CA ILE A 5 -0.572 -1.163 5.083 1.00 1.00 C ATOM 45 C ILE A 5 0.339 -1.503 3.901 1.00 1.00 C ATOM 46 O ILE A 5 1.480 -1.089 3.851 1.00 1.00 O ATOM 47 CB ILE A 5 -0.139 0.143 5.746 1.00 1.00 C ATOM 48 CG1 ILE A 5 -1.346 1.078 5.858 1.00 1.00 C ATOM 49 CG2 ILE A 5 0.945 0.811 4.897 1.00 1.00 C ATOM 50 CD1 ILE A 5 -1.714 1.266 7.330 1.00 1.00 C ATOM 0 H ILE A 5 0.512 -2.392 6.452 1.00 1.00 H new ATOM 0 HA ILE A 5 -1.587 -1.094 4.692 1.00 1.00 H new ATOM 0 HB ILE A 5 0.256 -0.066 6.740 1.00 1.00 H new ATOM 0 HG12 ILE A 5 -1.115 2.042 5.404 1.00 1.00 H new ATOM 0 HG13 ILE A 5 -2.193 0.663 5.311 1.00 1.00 H new ATOM 0 HG21 ILE A 5 1.254 1.743 5.370 1.00 1.00 H new ATOM 0 HG22 ILE A 5 1.803 0.145 4.813 1.00 1.00 H new ATOM 0 HG23 ILE A 5 0.550 1.022 3.903 1.00 1.00 H new ATOM 0 HD11 ILE A 5 -2.573 1.932 7.408 1.00 1.00 H new ATOM 0 HD12 ILE A 5 -1.962 0.300 7.769 1.00 1.00 H new ATOM 0 HD13 ILE A 5 -0.869 1.701 7.864 1.00 1.00 H new ATOM 62 N TYR A 6 -0.145 -2.254 2.951 1.00 1.00 N ATOM 63 CA TYR A 6 0.715 -2.610 1.786 1.00 1.00 C ATOM 64 C TYR A 6 0.271 -1.843 0.537 1.00 1.00 C ATOM 65 O TYR A 6 -0.903 -1.632 0.310 1.00 1.00 O ATOM 66 CB TYR A 6 0.519 -4.114 1.593 1.00 1.00 C ATOM 67 CG TYR A 6 1.396 -4.864 2.566 1.00 1.00 C ATOM 68 CD1 TYR A 6 0.929 -5.147 3.856 1.00 1.00 C ATOM 69 CD2 TYR A 6 2.678 -5.275 2.181 1.00 1.00 C ATOM 70 CE1 TYR A 6 1.743 -5.841 4.759 1.00 1.00 C ATOM 71 CE2 TYR A 6 3.492 -5.970 3.085 1.00 1.00 C ATOM 72 CZ TYR A 6 3.025 -6.252 4.373 1.00 1.00 C ATOM 73 OH TYR A 6 3.826 -6.937 5.264 1.00 1.00 O ATOM 0 H TYR A 6 -1.091 -2.634 2.930 1.00 1.00 H new ATOM 0 HA TYR A 6 1.761 -2.353 1.955 1.00 1.00 H new ATOM 0 HB2 TYR A 6 -0.527 -4.379 1.751 1.00 1.00 H new ATOM 0 HB3 TYR A 6 0.768 -4.396 0.570 1.00 1.00 H new ATOM 0 HD1 TYR A 6 -0.059 -4.830 4.154 1.00 1.00 H new ATOM 0 HD2 TYR A 6 3.039 -5.056 1.187 1.00 1.00 H new ATOM 0 HE1 TYR A 6 1.382 -6.059 5.753 1.00 1.00 H new ATOM 0 HE2 TYR A 6 4.480 -6.288 2.787 1.00 1.00 H new ATOM 0 HH TYR A 6 4.682 -7.149 4.838 1.00 1.00 H new ATOM 83 N SER A 7 1.206 -1.428 -0.272 1.00 1.00 N ATOM 84 CA SER A 7 0.846 -0.678 -1.510 1.00 1.00 C ATOM 85 C SER A 7 1.303 -1.458 -2.745 1.00 1.00 C ATOM 86 O SER A 7 2.287 -2.170 -2.710 1.00 1.00 O ATOM 87 CB SER A 7 1.596 0.649 -1.403 1.00 1.00 C ATOM 88 OG SER A 7 1.077 1.395 -0.311 1.00 1.00 O ATOM 0 H SER A 7 2.205 -1.576 -0.130 1.00 1.00 H new ATOM 0 HA SER A 7 -0.229 -0.528 -1.607 1.00 1.00 H new ATOM 0 HB2 SER A 7 2.661 0.467 -1.261 1.00 1.00 H new ATOM 0 HB3 SER A 7 1.490 1.215 -2.328 1.00 1.00 H new ATOM 0 HG SER A 7 1.557 2.246 -0.239 1.00 1.00 H new ATOM 94 N ALA A 8 0.598 -1.333 -3.835 1.00 1.00 N ATOM 95 CA ALA A 8 0.998 -2.072 -5.066 1.00 1.00 C ATOM 96 C ALA A 8 0.831 -1.184 -6.301 1.00 1.00 C ATOM 97 O ALA A 8 -0.063 -0.365 -6.374 1.00 1.00 O ATOM 98 CB ALA A 8 0.047 -3.268 -5.134 1.00 1.00 C ATOM 0 H ALA A 8 -0.236 -0.753 -3.927 1.00 1.00 H new ATOM 0 HA ALA A 8 2.043 -2.380 -5.039 1.00 1.00 H new ATOM 0 HB1 ALA A 8 0.276 -3.866 -6.016 1.00 1.00 H new ATOM 0 HB2 ALA A 8 0.167 -3.880 -4.240 1.00 1.00 H new ATOM 0 HB3 ALA A 8 -0.981 -2.912 -5.194 1.00 1.00 H new ATOM 104 N ARG A 9 1.685 -1.345 -7.274 1.00 1.00 N ATOM 105 CA ARG A 9 1.577 -0.516 -8.509 1.00 1.00 C ATOM 106 C ARG A 9 1.529 -1.420 -9.743 1.00 1.00 C ATOM 107 O ARG A 9 2.525 -1.987 -10.148 1.00 1.00 O ATOM 108 CB ARG A 9 2.840 0.344 -8.521 1.00 1.00 C ATOM 109 CG ARG A 9 3.721 -0.058 -9.706 1.00 1.00 C ATOM 110 CD ARG A 9 2.982 0.232 -11.013 1.00 1.00 C ATOM 111 NE ARG A 9 3.391 1.615 -11.387 1.00 1.00 N ATOM 112 CZ ARG A 9 4.596 1.839 -11.836 1.00 1.00 C ATOM 113 NH1 ARG A 9 5.440 0.853 -11.960 1.00 1.00 N ATOM 114 NH2 ARG A 9 4.955 3.051 -12.161 1.00 1.00 N ATOM 0 H ARG A 9 2.454 -2.015 -7.268 1.00 1.00 H new ATOM 0 HA ARG A 9 0.673 0.092 -8.524 1.00 1.00 H new ATOM 0 HB2 ARG A 9 2.574 1.399 -8.593 1.00 1.00 H new ATOM 0 HB3 ARG A 9 3.388 0.217 -7.587 1.00 1.00 H new ATOM 0 HG2 ARG A 9 4.661 0.493 -9.677 1.00 1.00 H new ATOM 0 HG3 ARG A 9 3.971 -1.117 -9.644 1.00 1.00 H new ATOM 0 HD2 ARG A 9 3.255 -0.484 -11.788 1.00 1.00 H new ATOM 0 HD3 ARG A 9 1.902 0.162 -10.880 1.00 1.00 H new ATOM 0 HE ARG A 9 2.730 2.386 -11.292 1.00 1.00 H new ATOM 0 HH11 ARG A 9 5.159 -0.094 -11.706 1.00 1.00 H new ATOM 0 HH12 ARG A 9 6.381 1.029 -12.311 1.00 1.00 H new ATOM 0 HH21 ARG A 9 4.294 3.822 -12.064 1.00 1.00 H new ATOM 0 HH22 ARG A 9 5.896 3.227 -12.512 1.00 1.00 H new ATOM 127 N TYR A 10 0.379 -1.564 -10.341 1.00 1.00 N ATOM 128 CA TYR A 10 0.270 -2.436 -11.546 1.00 1.00 C ATOM 129 C TYR A 10 -0.732 -1.846 -12.541 1.00 1.00 C ATOM 130 O TYR A 10 -1.416 -0.884 -12.254 1.00 1.00 O ATOM 131 CB TYR A 10 -0.230 -3.781 -11.019 1.00 1.00 C ATOM 132 CG TYR A 10 0.430 -4.084 -9.694 1.00 1.00 C ATOM 133 CD1 TYR A 10 1.814 -3.931 -9.549 1.00 1.00 C ATOM 134 CD2 TYR A 10 -0.343 -4.518 -8.611 1.00 1.00 C ATOM 135 CE1 TYR A 10 2.425 -4.213 -8.321 1.00 1.00 C ATOM 136 CE2 TYR A 10 0.267 -4.799 -7.382 1.00 1.00 C ATOM 137 CZ TYR A 10 1.651 -4.647 -7.237 1.00 1.00 C ATOM 138 OH TYR A 10 2.253 -4.924 -6.027 1.00 1.00 O ATOM 0 H TYR A 10 -0.490 -1.116 -10.048 1.00 1.00 H new ATOM 0 HA TYR A 10 1.220 -2.530 -12.072 1.00 1.00 H new ATOM 0 HB2 TYR A 10 -1.313 -3.756 -10.900 1.00 1.00 H new ATOM 0 HB3 TYR A 10 -0.006 -4.570 -11.737 1.00 1.00 H new ATOM 0 HD1 TYR A 10 2.411 -3.595 -10.384 1.00 1.00 H new ATOM 0 HD2 TYR A 10 -1.411 -4.636 -8.723 1.00 1.00 H new ATOM 0 HE1 TYR A 10 3.493 -4.096 -8.210 1.00 1.00 H new ATOM 0 HE2 TYR A 10 -0.330 -5.133 -6.546 1.00 1.00 H new ATOM 0 HH TYR A 10 3.046 -4.359 -5.919 1.00 1.00 H new ATOM 148 N SER A 11 -0.824 -2.419 -13.711 1.00 1.00 N ATOM 149 CA SER A 11 -1.782 -1.896 -14.727 1.00 1.00 C ATOM 150 C SER A 11 -1.497 -0.419 -15.018 1.00 1.00 C ATOM 151 O SER A 11 -2.382 0.334 -15.373 1.00 1.00 O ATOM 152 CB SER A 11 -3.161 -2.063 -14.091 1.00 1.00 C ATOM 153 OG SER A 11 -3.841 -0.815 -14.109 1.00 1.00 O ATOM 0 H SER A 11 -0.277 -3.227 -14.007 1.00 1.00 H new ATOM 0 HA SER A 11 -1.704 -2.424 -15.678 1.00 1.00 H new ATOM 0 HB2 SER A 11 -3.737 -2.812 -14.635 1.00 1.00 H new ATOM 0 HB3 SER A 11 -3.061 -2.421 -13.066 1.00 1.00 H new ATOM 0 HG SER A 11 -3.708 -0.382 -14.978 1.00 1.00 H new ATOM 159 N GLY A 12 -0.268 -0.003 -14.877 1.00 1.00 N ATOM 160 CA GLY A 12 0.074 1.422 -15.154 1.00 1.00 C ATOM 161 C GLY A 12 -0.483 2.315 -14.043 1.00 1.00 C ATOM 162 O GLY A 12 -0.299 3.516 -14.050 1.00 1.00 O ATOM 0 H GLY A 12 0.514 -0.588 -14.582 1.00 1.00 H new ATOM 0 HA2 GLY A 12 1.156 1.540 -15.220 1.00 1.00 H new ATOM 0 HA3 GLY A 12 -0.338 1.724 -16.117 1.00 1.00 H new ATOM 166 N VAL A 13 -1.163 1.742 -13.089 1.00 1.00 N ATOM 167 CA VAL A 13 -1.730 2.566 -11.982 1.00 1.00 C ATOM 168 C VAL A 13 -1.280 2.017 -10.625 1.00 1.00 C ATOM 169 O VAL A 13 -1.358 0.832 -10.368 1.00 1.00 O ATOM 170 CB VAL A 13 -3.245 2.442 -12.134 1.00 1.00 C ATOM 171 CG1 VAL A 13 -3.911 3.752 -11.712 1.00 1.00 C ATOM 172 CG2 VAL A 13 -3.587 2.145 -13.596 1.00 1.00 C ATOM 0 H VAL A 13 -1.351 0.741 -13.027 1.00 1.00 H new ATOM 0 HA VAL A 13 -1.398 3.603 -12.029 1.00 1.00 H new ATOM 0 HB VAL A 13 -3.608 1.631 -11.502 1.00 1.00 H new ATOM 0 HG11 VAL A 13 -4.992 3.662 -11.821 1.00 1.00 H new ATOM 0 HG12 VAL A 13 -3.668 3.965 -10.671 1.00 1.00 H new ATOM 0 HG13 VAL A 13 -3.549 4.564 -12.343 1.00 1.00 H new ATOM 0 HG21 VAL A 13 -4.668 2.056 -13.706 1.00 1.00 H new ATOM 0 HG22 VAL A 13 -3.223 2.956 -14.227 1.00 1.00 H new ATOM 0 HG23 VAL A 13 -3.114 1.211 -13.898 1.00 1.00 H new ATOM 182 N ASP A 14 -0.809 2.869 -9.755 1.00 1.00 N ATOM 183 CA ASP A 14 -0.354 2.393 -8.417 1.00 1.00 C ATOM 184 C ASP A 14 -1.554 2.221 -7.482 1.00 1.00 C ATOM 185 O ASP A 14 -2.592 2.824 -7.671 1.00 1.00 O ATOM 186 CB ASP A 14 0.575 3.493 -7.901 1.00 1.00 C ATOM 187 CG ASP A 14 -0.058 4.860 -8.162 1.00 1.00 C ATOM 188 OD1 ASP A 14 -1.134 4.893 -8.735 1.00 1.00 O ATOM 189 OD2 ASP A 14 0.544 5.852 -7.784 1.00 1.00 O ATOM 0 H ASP A 14 -0.720 3.873 -9.912 1.00 1.00 H new ATOM 0 HA ASP A 14 0.148 1.427 -8.470 1.00 1.00 H new ATOM 0 HB2 ASP A 14 0.754 3.361 -6.834 1.00 1.00 H new ATOM 0 HB3 ASP A 14 1.543 3.428 -8.397 1.00 1.00 H new ATOM 194 N VAL A 15 -1.420 1.400 -6.478 1.00 1.00 N ATOM 195 CA VAL A 15 -2.554 1.184 -5.533 1.00 1.00 C ATOM 196 C VAL A 15 -2.024 0.861 -4.134 1.00 1.00 C ATOM 197 O VAL A 15 -0.832 0.775 -3.915 1.00 1.00 O ATOM 198 CB VAL A 15 -3.322 -0.009 -6.101 1.00 1.00 C ATOM 199 CG1 VAL A 15 -3.714 0.278 -7.551 1.00 1.00 C ATOM 200 CG2 VAL A 15 -2.437 -1.256 -6.050 1.00 1.00 C ATOM 0 H VAL A 15 -0.575 0.869 -6.270 1.00 1.00 H new ATOM 0 HA VAL A 15 -3.184 2.068 -5.438 1.00 1.00 H new ATOM 0 HB VAL A 15 -4.221 -0.176 -5.508 1.00 1.00 H new ATOM 0 HG11 VAL A 15 -4.262 -0.573 -7.955 1.00 1.00 H new ATOM 0 HG12 VAL A 15 -4.345 1.166 -7.588 1.00 1.00 H new ATOM 0 HG13 VAL A 15 -2.815 0.446 -8.144 1.00 1.00 H new ATOM 0 HG21 VAL A 15 -2.984 -2.107 -6.455 1.00 1.00 H new ATOM 0 HG22 VAL A 15 -1.537 -1.088 -6.642 1.00 1.00 H new ATOM 0 HG23 VAL A 15 -2.158 -1.462 -5.017 1.00 1.00 H new ATOM 210 N TYR A 16 -2.901 0.669 -3.188 1.00 1.00 N ATOM 211 CA TYR A 16 -2.454 0.336 -1.806 1.00 1.00 C ATOM 212 C TYR A 16 -3.100 -0.980 -1.369 1.00 1.00 C ATOM 213 O TYR A 16 -4.251 -1.240 -1.657 1.00 1.00 O ATOM 214 CB TYR A 16 -2.943 1.495 -0.936 1.00 1.00 C ATOM 215 CG TYR A 16 -3.182 2.708 -1.803 1.00 1.00 C ATOM 216 CD1 TYR A 16 -2.333 2.972 -2.885 1.00 1.00 C ATOM 217 CD2 TYR A 16 -4.250 3.568 -1.525 1.00 1.00 C ATOM 218 CE1 TYR A 16 -2.554 4.096 -3.689 1.00 1.00 C ATOM 219 CE2 TYR A 16 -4.471 4.692 -2.328 1.00 1.00 C ATOM 220 CZ TYR A 16 -3.623 4.957 -3.411 1.00 1.00 C ATOM 221 OH TYR A 16 -3.841 6.065 -4.203 1.00 1.00 O ATOM 0 H TYR A 16 -3.912 0.729 -3.313 1.00 1.00 H new ATOM 0 HA TYR A 16 -1.374 0.211 -1.730 1.00 1.00 H new ATOM 0 HB2 TYR A 16 -3.862 1.215 -0.422 1.00 1.00 H new ATOM 0 HB3 TYR A 16 -2.205 1.724 -0.167 1.00 1.00 H new ATOM 0 HD1 TYR A 16 -1.508 2.309 -3.099 1.00 1.00 H new ATOM 0 HD2 TYR A 16 -4.904 3.364 -0.690 1.00 1.00 H new ATOM 0 HE1 TYR A 16 -1.900 4.299 -4.524 1.00 1.00 H new ATOM 0 HE2 TYR A 16 -5.296 5.356 -2.113 1.00 1.00 H new ATOM 0 HH TYR A 16 -4.681 5.955 -4.695 1.00 1.00 H new ATOM 231 N GLU A 17 -2.373 -1.820 -0.686 1.00 1.00 N ATOM 232 CA GLU A 17 -2.961 -3.120 -0.254 1.00 1.00 C ATOM 233 C GLU A 17 -2.936 -3.248 1.271 1.00 1.00 C ATOM 234 O GLU A 17 -1.890 -3.337 1.882 1.00 1.00 O ATOM 235 CB GLU A 17 -2.073 -4.186 -0.895 1.00 1.00 C ATOM 236 CG GLU A 17 -0.691 -4.161 -0.239 1.00 1.00 C ATOM 237 CD GLU A 17 0.363 -3.787 -1.283 1.00 1.00 C ATOM 238 OE1 GLU A 17 0.200 -2.759 -1.920 1.00 1.00 O ATOM 239 OE2 GLU A 17 1.316 -4.534 -1.428 1.00 1.00 O ATOM 0 H GLU A 17 -1.404 -1.665 -0.409 1.00 1.00 H new ATOM 0 HA GLU A 17 -4.004 -3.216 -0.556 1.00 1.00 H new ATOM 0 HB2 GLU A 17 -2.526 -5.171 -0.777 1.00 1.00 H new ATOM 0 HB3 GLU A 17 -1.982 -4.003 -1.966 1.00 1.00 H new ATOM 0 HG2 GLU A 17 -0.678 -3.442 0.580 1.00 1.00 H new ATOM 0 HG3 GLU A 17 -0.463 -5.137 0.190 1.00 1.00 H new ATOM 246 N PHE A 18 -4.087 -3.271 1.884 1.00 1.00 N ATOM 247 CA PHE A 18 -4.144 -3.408 3.366 1.00 1.00 C ATOM 248 C PHE A 18 -4.945 -4.660 3.733 1.00 1.00 C ATOM 249 O PHE A 18 -5.821 -5.081 3.003 1.00 1.00 O ATOM 250 CB PHE A 18 -4.859 -2.148 3.857 1.00 1.00 C ATOM 251 CG PHE A 18 -4.080 -0.927 3.428 1.00 1.00 C ATOM 252 CD1 PHE A 18 -3.635 -0.811 2.106 1.00 1.00 C ATOM 253 CD2 PHE A 18 -3.805 0.088 4.352 1.00 1.00 C ATOM 254 CE1 PHE A 18 -2.913 0.321 1.708 1.00 1.00 C ATOM 255 CE2 PHE A 18 -3.083 1.220 3.954 1.00 1.00 C ATOM 256 CZ PHE A 18 -2.637 1.336 2.631 1.00 1.00 C ATOM 0 H PHE A 18 -4.993 -3.201 1.421 1.00 1.00 H new ATOM 0 HA PHE A 18 -3.157 -3.509 3.816 1.00 1.00 H new ATOM 0 HB2 PHE A 18 -5.870 -2.109 3.451 1.00 1.00 H new ATOM 0 HB3 PHE A 18 -4.953 -2.170 4.943 1.00 1.00 H new ATOM 0 HD1 PHE A 18 -3.848 -1.594 1.393 1.00 1.00 H new ATOM 0 HD2 PHE A 18 -4.150 -0.002 5.372 1.00 1.00 H new ATOM 0 HE1 PHE A 18 -2.569 0.411 0.688 1.00 1.00 H new ATOM 0 HE2 PHE A 18 -2.870 2.003 4.667 1.00 1.00 H new ATOM 0 HZ PHE A 18 -2.080 2.209 2.323 1.00 1.00 H new ATOM 266 N ILE A 19 -4.656 -5.262 4.853 1.00 1.00 N ATOM 267 CA ILE A 19 -5.407 -6.487 5.251 1.00 1.00 C ATOM 268 C ILE A 19 -6.770 -6.108 5.828 1.00 1.00 C ATOM 269 O ILE A 19 -6.882 -5.233 6.663 1.00 1.00 O ATOM 270 CB ILE A 19 -4.538 -7.157 6.316 1.00 1.00 C ATOM 271 CG1 ILE A 19 -3.864 -8.394 5.719 1.00 1.00 C ATOM 272 CG2 ILE A 19 -5.414 -7.576 7.497 1.00 1.00 C ATOM 273 CD1 ILE A 19 -3.527 -8.133 4.249 1.00 1.00 C ATOM 0 H ILE A 19 -3.935 -4.961 5.508 1.00 1.00 H new ATOM 0 HA ILE A 19 -5.595 -7.149 4.405 1.00 1.00 H new ATOM 0 HB ILE A 19 -3.776 -6.456 6.658 1.00 1.00 H new ATOM 0 HG12 ILE A 19 -2.957 -8.630 6.275 1.00 1.00 H new ATOM 0 HG13 ILE A 19 -4.524 -9.257 5.804 1.00 1.00 H new ATOM 0 HG21 ILE A 19 -4.796 -8.054 8.257 1.00 1.00 H new ATOM 0 HG22 ILE A 19 -5.897 -6.696 7.922 1.00 1.00 H new ATOM 0 HG23 ILE A 19 -6.175 -8.277 7.155 1.00 1.00 H new ATOM 0 HD11 ILE A 19 -3.047 -9.014 3.824 1.00 1.00 H new ATOM 0 HD12 ILE A 19 -4.443 -7.918 3.698 1.00 1.00 H new ATOM 0 HD13 ILE A 19 -2.851 -7.281 4.176 1.00 1.00 H new ATOM 285 N HIS A 20 -7.806 -6.764 5.389 1.00 1.00 N ATOM 286 CA HIS A 20 -9.166 -6.448 5.910 1.00 1.00 C ATOM 287 C HIS A 20 -10.039 -7.702 5.878 1.00 1.00 C ATOM 288 O HIS A 20 -9.581 -8.796 6.146 1.00 1.00 O ATOM 289 CB HIS A 20 -9.718 -5.384 4.961 1.00 1.00 C ATOM 290 CG HIS A 20 -9.562 -4.025 5.585 1.00 1.00 C ATOM 291 ND1 HIS A 20 -9.540 -3.840 6.959 1.00 1.00 N ATOM 292 CD2 HIS A 20 -9.421 -2.774 5.036 1.00 1.00 C ATOM 293 CE1 HIS A 20 -9.390 -2.523 7.189 1.00 1.00 C ATOM 294 NE2 HIS A 20 -9.312 -1.827 6.051 1.00 1.00 N ATOM 0 H HIS A 20 -7.771 -7.507 4.691 1.00 1.00 H new ATOM 0 HA HIS A 20 -9.145 -6.098 6.942 1.00 1.00 H new ATOM 0 HB2 HIS A 20 -9.189 -5.421 4.009 1.00 1.00 H new ATOM 0 HB3 HIS A 20 -10.769 -5.580 4.750 1.00 1.00 H new ATOM 0 HD1 HIS A 20 -9.623 -4.570 7.667 1.00 1.00 H new ATOM 0 HD2 HIS A 20 -9.398 -2.558 3.978 1.00 1.00 H new ATOM 0 HE1 HIS A 20 -9.339 -2.082 8.174 1.00 1.00 H new ATOM 302 N SER A 21 -11.291 -7.560 5.540 1.00 1.00 N ATOM 303 CA SER A 21 -12.180 -8.753 5.482 1.00 1.00 C ATOM 304 C SER A 21 -11.685 -9.711 4.397 1.00 1.00 C ATOM 305 O SER A 21 -11.700 -10.914 4.560 1.00 1.00 O ATOM 306 CB SER A 21 -13.560 -8.204 5.127 1.00 1.00 C ATOM 307 OG SER A 21 -14.482 -8.550 6.152 1.00 1.00 O ATOM 0 H SER A 21 -11.735 -6.673 5.302 1.00 1.00 H new ATOM 0 HA SER A 21 -12.198 -9.308 6.420 1.00 1.00 H new ATOM 0 HB2 SER A 21 -13.515 -7.121 5.013 1.00 1.00 H new ATOM 0 HB3 SER A 21 -13.891 -8.611 4.172 1.00 1.00 H new ATOM 0 HG SER A 21 -14.676 -9.510 6.107 1.00 1.00 H new ATOM 313 N THR A 22 -11.232 -9.181 3.294 1.00 1.00 N ATOM 314 CA THR A 22 -10.720 -10.052 2.200 1.00 1.00 C ATOM 315 C THR A 22 -9.201 -10.174 2.315 1.00 1.00 C ATOM 316 O THR A 22 -8.533 -10.636 1.411 1.00 1.00 O ATOM 317 CB THR A 22 -11.107 -9.336 0.904 1.00 1.00 C ATOM 318 OG1 THR A 22 -12.466 -8.931 0.979 1.00 1.00 O ATOM 319 CG2 THR A 22 -10.919 -10.284 -0.281 1.00 1.00 C ATOM 0 H THR A 22 -11.195 -8.180 3.103 1.00 1.00 H new ATOM 0 HA THR A 22 -11.132 -11.060 2.238 1.00 1.00 H new ATOM 0 HB THR A 22 -10.473 -8.460 0.768 1.00 1.00 H new ATOM 0 HG1 THR A 22 -12.513 -7.955 1.054 1.00 1.00 H new ATOM 0 HG21 THR A 22 -11.195 -9.773 -1.203 1.00 1.00 H new ATOM 0 HG22 THR A 22 -9.876 -10.595 -0.337 1.00 1.00 H new ATOM 0 HG23 THR A 22 -11.552 -11.161 -0.149 1.00 1.00 H new ATOM 327 N GLY A 23 -8.652 -9.749 3.419 1.00 1.00 N ATOM 328 CA GLY A 23 -7.176 -9.822 3.592 1.00 1.00 C ATOM 329 C GLY A 23 -6.558 -8.499 3.139 1.00 1.00 C ATOM 330 O GLY A 23 -6.827 -7.455 3.699 1.00 1.00 O ATOM 0 H GLY A 23 -9.163 -9.354 4.209 1.00 1.00 H new ATOM 0 HA2 GLY A 23 -6.928 -10.016 4.636 1.00 1.00 H new ATOM 0 HA3 GLY A 23 -6.769 -10.648 3.009 1.00 1.00 H new ATOM 334 N SER A 24 -5.737 -8.531 2.127 1.00 1.00 N ATOM 335 CA SER A 24 -5.107 -7.272 1.637 1.00 1.00 C ATOM 336 C SER A 24 -6.055 -6.544 0.680 1.00 1.00 C ATOM 337 O SER A 24 -6.700 -7.151 -0.152 1.00 1.00 O ATOM 338 CB SER A 24 -3.844 -7.720 0.903 1.00 1.00 C ATOM 339 OG SER A 24 -3.277 -6.609 0.221 1.00 1.00 O ATOM 0 H SER A 24 -5.474 -9.375 1.617 1.00 1.00 H new ATOM 0 HA SER A 24 -4.882 -6.580 2.449 1.00 1.00 H new ATOM 0 HB2 SER A 24 -3.125 -8.132 1.611 1.00 1.00 H new ATOM 0 HB3 SER A 24 -4.083 -8.513 0.194 1.00 1.00 H new ATOM 0 HG SER A 24 -2.307 -6.602 0.358 1.00 1.00 H new ATOM 345 N ILE A 25 -6.140 -5.246 0.789 1.00 1.00 N ATOM 346 CA ILE A 25 -7.042 -4.479 -0.115 1.00 1.00 C ATOM 347 C ILE A 25 -6.218 -3.553 -1.014 1.00 1.00 C ATOM 348 O ILE A 25 -5.436 -2.751 -0.542 1.00 1.00 O ATOM 349 CB ILE A 25 -7.940 -3.666 0.817 1.00 1.00 C ATOM 350 CG1 ILE A 25 -9.070 -4.556 1.339 1.00 1.00 C ATOM 351 CG2 ILE A 25 -8.535 -2.484 0.051 1.00 1.00 C ATOM 352 CD1 ILE A 25 -10.277 -3.690 1.699 1.00 1.00 C ATOM 0 H ILE A 25 -5.623 -4.684 1.465 1.00 1.00 H new ATOM 0 HA ILE A 25 -7.622 -5.128 -0.772 1.00 1.00 H new ATOM 0 HB ILE A 25 -7.351 -3.295 1.656 1.00 1.00 H new ATOM 0 HG12 ILE A 25 -9.348 -5.290 0.582 1.00 1.00 H new ATOM 0 HG13 ILE A 25 -8.734 -5.112 2.214 1.00 1.00 H new ATOM 0 HG21 ILE A 25 -9.175 -1.905 0.716 1.00 1.00 H new ATOM 0 HG22 ILE A 25 -7.731 -1.850 -0.322 1.00 1.00 H new ATOM 0 HG23 ILE A 25 -9.124 -2.854 -0.788 1.00 1.00 H new ATOM 0 HD11 ILE A 25 -11.082 -4.324 2.071 1.00 1.00 H new ATOM 0 HD12 ILE A 25 -9.994 -2.974 2.470 1.00 1.00 H new ATOM 0 HD13 ILE A 25 -10.617 -3.154 0.813 1.00 1.00 H new ATOM 364 N MET A 26 -6.387 -3.657 -2.303 1.00 1.00 N ATOM 365 CA MET A 26 -5.609 -2.780 -3.224 1.00 1.00 C ATOM 366 C MET A 26 -6.552 -1.883 -4.031 1.00 1.00 C ATOM 367 O MET A 26 -7.463 -2.351 -4.685 1.00 1.00 O ATOM 368 CB MET A 26 -4.865 -3.744 -4.150 1.00 1.00 C ATOM 369 CG MET A 26 -3.757 -2.994 -4.888 1.00 1.00 C ATOM 370 SD MET A 26 -3.184 -3.987 -6.289 1.00 1.00 S ATOM 371 CE MET A 26 -3.994 -3.029 -7.592 1.00 1.00 C ATOM 0 H MET A 26 -7.027 -4.308 -2.758 1.00 1.00 H new ATOM 0 HA MET A 26 -4.929 -2.119 -2.687 1.00 1.00 H new ATOM 0 HB2 MET A 26 -4.440 -4.564 -3.572 1.00 1.00 H new ATOM 0 HB3 MET A 26 -5.559 -4.185 -4.866 1.00 1.00 H new ATOM 0 HG2 MET A 26 -4.127 -2.031 -5.239 1.00 1.00 H new ATOM 0 HG3 MET A 26 -2.928 -2.790 -4.210 1.00 1.00 H new ATOM 0 HE1 MET A 26 -4.397 -3.707 -8.345 1.00 1.00 H new ATOM 0 HE2 MET A 26 -4.805 -2.441 -7.161 1.00 1.00 H new ATOM 0 HE3 MET A 26 -3.269 -2.361 -8.057 1.00 1.00 H new ATOM 381 N LYS A 27 -6.342 -0.596 -3.985 1.00 1.00 N ATOM 382 CA LYS A 27 -7.225 0.335 -4.745 1.00 1.00 C ATOM 383 C LYS A 27 -6.474 0.925 -5.941 1.00 1.00 C ATOM 384 O LYS A 27 -5.270 0.803 -6.051 1.00 1.00 O ATOM 385 CB LYS A 27 -7.591 1.434 -3.746 1.00 1.00 C ATOM 386 CG LYS A 27 -7.909 2.725 -4.502 1.00 1.00 C ATOM 387 CD LYS A 27 -8.126 3.863 -3.504 1.00 1.00 C ATOM 388 CE LYS A 27 -7.940 3.336 -2.079 1.00 1.00 C ATOM 389 NZ LYS A 27 -8.285 4.484 -1.196 1.00 1.00 N ATOM 0 H LYS A 27 -5.596 -0.148 -3.453 1.00 1.00 H new ATOM 0 HA LYS A 27 -8.107 -0.167 -5.144 1.00 1.00 H new ATOM 0 HB2 LYS A 27 -8.451 1.127 -3.151 1.00 1.00 H new ATOM 0 HB3 LYS A 27 -6.766 1.600 -3.053 1.00 1.00 H new ATOM 0 HG2 LYS A 27 -7.092 2.973 -5.179 1.00 1.00 H new ATOM 0 HG3 LYS A 27 -8.801 2.590 -5.114 1.00 1.00 H new ATOM 0 HD2 LYS A 27 -7.421 4.671 -3.699 1.00 1.00 H new ATOM 0 HD3 LYS A 27 -9.127 4.278 -3.622 1.00 1.00 H new ATOM 0 HE2 LYS A 27 -8.588 2.481 -1.887 1.00 1.00 H new ATOM 0 HE3 LYS A 27 -6.916 3.003 -1.912 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 -7.480 4.696 -0.572 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 -8.500 5.318 -1.779 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 -9.116 4.241 -0.619 1.00 1.00 H new ATOM 402 N ARG A 28 -7.174 1.566 -6.837 1.00 1.00 N ATOM 403 CA ARG A 28 -6.498 2.164 -8.023 1.00 1.00 C ATOM 404 C ARG A 28 -6.090 3.609 -7.723 1.00 1.00 C ATOM 405 O ARG A 28 -6.826 4.359 -7.114 1.00 1.00 O ATOM 406 CB ARG A 28 -7.544 2.123 -9.139 1.00 1.00 C ATOM 407 CG ARG A 28 -6.840 2.063 -10.495 1.00 1.00 C ATOM 408 CD ARG A 28 -7.112 0.707 -11.153 1.00 1.00 C ATOM 409 NE ARG A 28 -7.649 1.037 -12.502 1.00 1.00 N ATOM 410 CZ ARG A 28 -6.830 1.287 -13.487 1.00 1.00 C ATOM 411 NH1 ARG A 28 -5.541 1.248 -13.290 1.00 1.00 N ATOM 412 NH2 ARG A 28 -7.300 1.576 -14.670 1.00 1.00 N ATOM 0 H ARG A 28 -8.184 1.701 -6.799 1.00 1.00 H new ATOM 0 HA ARG A 28 -5.590 1.626 -8.297 1.00 1.00 H new ATOM 0 HB2 ARG A 28 -8.191 1.255 -9.014 1.00 1.00 H new ATOM 0 HB3 ARG A 28 -8.182 3.005 -9.087 1.00 1.00 H new ATOM 0 HG2 ARG A 28 -7.196 2.869 -11.137 1.00 1.00 H new ATOM 0 HG3 ARG A 28 -5.767 2.208 -10.366 1.00 1.00 H new ATOM 0 HD2 ARG A 28 -6.201 0.113 -11.225 1.00 1.00 H new ATOM 0 HD3 ARG A 28 -7.828 0.124 -10.574 1.00 1.00 H new ATOM 0 HE ARG A 28 -8.657 1.068 -12.656 1.00 1.00 H new ATOM 0 HH11 ARG A 28 -5.173 1.022 -12.366 1.00 1.00 H new ATOM 0 HH12 ARG A 28 -4.901 1.443 -14.060 1.00 1.00 H new ATOM 0 HH21 ARG A 28 -8.308 1.607 -14.825 1.00 1.00 H new ATOM 0 HH22 ARG A 28 -6.660 1.771 -15.439 1.00 1.00 H new ATOM 425 N LYS A 29 -4.920 4.004 -8.146 1.00 1.00 N ATOM 426 CA LYS A 29 -4.465 5.400 -7.883 1.00 1.00 C ATOM 427 C LYS A 29 -5.322 6.395 -8.668 1.00 1.00 C ATOM 428 O LYS A 29 -5.603 7.484 -8.208 1.00 1.00 O ATOM 429 CB LYS A 29 -3.019 5.440 -8.363 1.00 1.00 C ATOM 430 CG LYS A 29 -2.141 6.082 -7.287 1.00 1.00 C ATOM 431 CD LYS A 29 -1.627 7.433 -7.786 1.00 1.00 C ATOM 432 CE LYS A 29 -2.686 8.509 -7.534 1.00 1.00 C ATOM 433 NZ LYS A 29 -1.925 9.686 -7.028 1.00 1.00 N ATOM 0 H LYS A 29 -4.260 3.422 -8.662 1.00 1.00 H new ATOM 0 HA LYS A 29 -4.553 5.672 -6.831 1.00 1.00 H new ATOM 0 HB2 LYS A 29 -2.668 4.431 -8.579 1.00 1.00 H new ATOM 0 HB3 LYS A 29 -2.948 6.007 -9.291 1.00 1.00 H new ATOM 0 HG2 LYS A 29 -2.712 6.215 -6.368 1.00 1.00 H new ATOM 0 HG3 LYS A 29 -1.303 5.428 -7.049 1.00 1.00 H new ATOM 0 HD2 LYS A 29 -0.701 7.693 -7.274 1.00 1.00 H new ATOM 0 HD3 LYS A 29 -1.398 7.376 -8.850 1.00 1.00 H new ATOM 0 HE2 LYS A 29 -3.227 8.752 -8.448 1.00 1.00 H new ATOM 0 HE3 LYS A 29 -3.425 8.173 -6.806 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 -2.583 10.467 -6.832 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 -1.425 9.427 -6.154 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 -1.234 9.987 -7.745 1.00 1.00 H new ATOM 446 N LYS A 30 -5.740 6.031 -9.849 1.00 1.00 N ATOM 447 CA LYS A 30 -6.578 6.958 -10.661 1.00 1.00 C ATOM 448 C LYS A 30 -7.837 7.351 -9.882 1.00 1.00 C ATOM 449 O LYS A 30 -8.078 8.513 -9.618 1.00 1.00 O ATOM 450 CB LYS A 30 -6.948 6.161 -11.913 1.00 1.00 C ATOM 451 CG LYS A 30 -5.675 5.647 -12.587 1.00 1.00 C ATOM 452 CD LYS A 30 -4.728 6.819 -12.852 1.00 1.00 C ATOM 453 CE LYS A 30 -4.338 6.836 -14.332 1.00 1.00 C ATOM 454 NZ LYS A 30 -5.319 5.935 -14.998 1.00 1.00 N ATOM 0 H LYS A 30 -5.538 5.132 -10.287 1.00 1.00 H new ATOM 0 HA LYS A 30 -6.055 7.882 -10.906 1.00 1.00 H new ATOM 0 HB2 LYS A 30 -7.594 5.324 -11.646 1.00 1.00 H new ATOM 0 HB3 LYS A 30 -7.509 6.790 -12.604 1.00 1.00 H new ATOM 0 HG2 LYS A 30 -5.187 4.908 -11.951 1.00 1.00 H new ATOM 0 HG3 LYS A 30 -5.923 5.147 -13.523 1.00 1.00 H new ATOM 0 HD2 LYS A 30 -5.210 7.758 -12.581 1.00 1.00 H new ATOM 0 HD3 LYS A 30 -3.837 6.728 -12.231 1.00 1.00 H new ATOM 0 HE2 LYS A 30 -4.387 7.845 -14.742 1.00 1.00 H new ATOM 0 HE3 LYS A 30 -3.317 6.483 -14.475 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 -5.274 6.074 -16.028 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 -5.091 4.946 -14.772 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 -6.278 6.155 -14.660 1.00 1.00 H new ATOM 467 N ASP A 31 -8.642 6.393 -9.515 1.00 1.00 N ATOM 468 CA ASP A 31 -9.885 6.712 -8.754 1.00 1.00 C ATOM 469 C ASP A 31 -9.824 6.095 -7.355 1.00 1.00 C ATOM 470 O ASP A 31 -10.803 6.067 -6.636 1.00 1.00 O ATOM 471 CB ASP A 31 -11.019 6.089 -9.567 1.00 1.00 C ATOM 472 CG ASP A 31 -12.244 7.003 -9.520 1.00 1.00 C ATOM 473 OD1 ASP A 31 -12.735 7.246 -8.429 1.00 1.00 O ATOM 474 OD2 ASP A 31 -12.672 7.444 -10.573 1.00 1.00 O ATOM 0 H ASP A 31 -8.494 5.403 -9.709 1.00 1.00 H new ATOM 0 HA ASP A 31 -10.022 7.785 -8.620 1.00 1.00 H new ATOM 0 HB2 ASP A 31 -10.702 5.942 -10.599 1.00 1.00 H new ATOM 0 HB3 ASP A 31 -11.270 5.107 -9.167 1.00 1.00 H new ATOM 479 N ASP A 32 -8.683 5.600 -6.963 1.00 1.00 N ATOM 480 CA ASP A 32 -8.563 4.985 -5.610 1.00 1.00 C ATOM 481 C ASP A 32 -9.807 4.151 -5.295 1.00 1.00 C ATOM 482 O ASP A 32 -10.567 4.465 -4.400 1.00 1.00 O ATOM 483 CB ASP A 32 -8.451 6.167 -4.646 1.00 1.00 C ATOM 484 CG ASP A 32 -6.996 6.334 -4.207 1.00 1.00 C ATOM 485 OD1 ASP A 32 -6.120 6.024 -4.998 1.00 1.00 O ATOM 486 OD2 ASP A 32 -6.781 6.767 -3.087 1.00 1.00 O ATOM 0 H ASP A 32 -7.829 5.594 -7.520 1.00 1.00 H new ATOM 0 HA ASP A 32 -7.706 4.316 -5.536 1.00 1.00 H new ATOM 0 HB2 ASP A 32 -8.802 7.078 -5.130 1.00 1.00 H new ATOM 0 HB3 ASP A 32 -9.087 6.002 -3.776 1.00 1.00 H new ATOM 491 N TRP A 33 -10.021 3.089 -6.022 1.00 1.00 N ATOM 492 CA TRP A 33 -11.215 2.235 -5.762 1.00 1.00 C ATOM 493 C TRP A 33 -10.905 1.211 -4.667 1.00 1.00 C ATOM 494 O TRP A 33 -9.760 0.901 -4.401 1.00 1.00 O ATOM 495 CB TRP A 33 -11.498 1.532 -7.089 1.00 1.00 C ATOM 496 CG TRP A 33 -11.011 2.382 -8.218 1.00 1.00 C ATOM 497 CD1 TRP A 33 -9.713 2.667 -8.472 1.00 1.00 C ATOM 498 CD2 TRP A 33 -11.787 3.060 -9.247 1.00 1.00 C ATOM 499 NE1 TRP A 33 -9.643 3.477 -9.591 1.00 1.00 N ATOM 500 CE2 TRP A 33 -10.896 3.747 -10.104 1.00 1.00 C ATOM 501 CE3 TRP A 33 -13.165 3.145 -9.518 1.00 1.00 C ATOM 502 CZ2 TRP A 33 -11.354 4.492 -11.191 1.00 1.00 C ATOM 503 CZ3 TRP A 33 -13.631 3.894 -10.611 1.00 1.00 C ATOM 504 CH2 TRP A 33 -12.727 4.567 -11.446 1.00 1.00 C ATOM 0 H TRP A 33 -9.421 2.775 -6.785 1.00 1.00 H new ATOM 0 HA TRP A 33 -12.071 2.817 -5.419 1.00 1.00 H new ATOM 0 HB2 TRP A 33 -11.003 0.561 -7.111 1.00 1.00 H new ATOM 0 HB3 TRP A 33 -12.567 1.347 -7.194 1.00 1.00 H new ATOM 0 HD1 TRP A 33 -8.869 2.319 -7.895 1.00 1.00 H new ATOM 0 HE1 TRP A 33 -8.773 3.831 -9.988 1.00 1.00 H new ATOM 0 HE3 TRP A 33 -13.869 2.631 -8.881 1.00 1.00 H new ATOM 0 HZ2 TRP A 33 -10.653 5.007 -11.831 1.00 1.00 H new ATOM 0 HZ3 TRP A 33 -14.691 3.952 -10.810 1.00 1.00 H new ATOM 0 HH2 TRP A 33 -13.091 5.142 -12.285 1.00 1.00 H new ATOM 515 N VAL A 34 -11.914 0.683 -4.031 1.00 1.00 N ATOM 516 CA VAL A 34 -11.675 -0.322 -2.955 1.00 1.00 C ATOM 517 C VAL A 34 -12.389 -1.634 -3.292 1.00 1.00 C ATOM 518 O VAL A 34 -13.430 -1.641 -3.918 1.00 1.00 O ATOM 519 CB VAL A 34 -12.266 0.302 -1.691 1.00 1.00 C ATOM 520 CG1 VAL A 34 -13.555 -0.430 -1.315 1.00 1.00 C ATOM 521 CG2 VAL A 34 -11.259 0.183 -0.545 1.00 1.00 C ATOM 0 H VAL A 34 -12.894 0.903 -4.209 1.00 1.00 H new ATOM 0 HA VAL A 34 -10.617 -0.557 -2.835 1.00 1.00 H new ATOM 0 HB VAL A 34 -12.486 1.354 -1.874 1.00 1.00 H new ATOM 0 HG11 VAL A 34 -13.976 0.015 -0.414 1.00 1.00 H new ATOM 0 HG12 VAL A 34 -14.273 -0.346 -2.131 1.00 1.00 H new ATOM 0 HG13 VAL A 34 -13.336 -1.482 -1.132 1.00 1.00 H new ATOM 0 HG21 VAL A 34 -11.680 0.628 0.357 1.00 1.00 H new ATOM 0 HG22 VAL A 34 -11.039 -0.869 -0.362 1.00 1.00 H new ATOM 0 HG23 VAL A 34 -10.340 0.705 -0.812 1.00 1.00 H new ATOM 531 N ASN A 35 -11.840 -2.744 -2.879 1.00 1.00 N ATOM 532 CA ASN A 35 -12.487 -4.054 -3.176 1.00 1.00 C ATOM 533 C ASN A 35 -13.843 -4.149 -2.471 1.00 1.00 C ATOM 534 O ASN A 35 -13.921 -4.416 -1.288 1.00 1.00 O ATOM 535 CB ASN A 35 -11.523 -5.106 -2.628 1.00 1.00 C ATOM 536 CG ASN A 35 -11.104 -4.726 -1.207 1.00 1.00 C ATOM 537 OD1 ASN A 35 -10.595 -3.646 -0.980 1.00 1.00 O ATOM 538 ND2 ASN A 35 -11.298 -5.572 -0.233 1.00 1.00 N ATOM 0 H ASN A 35 -10.971 -2.800 -2.348 1.00 1.00 H new ATOM 0 HA ASN A 35 -12.674 -4.188 -4.241 1.00 1.00 H new ATOM 0 HB2 ASN A 35 -12.000 -6.086 -2.628 1.00 1.00 H new ATOM 0 HB3 ASN A 35 -10.645 -5.179 -3.270 1.00 1.00 H new ATOM 0 HD21 ASN A 35 -11.023 -5.327 0.718 1.00 1.00 H new ATOM 0 HD22 ASN A 35 -11.725 -6.479 -0.422 1.00 1.00 H new ATOM 545 N ALA A 36 -14.912 -3.933 -3.187 1.00 1.00 N ATOM 546 CA ALA A 36 -16.262 -4.011 -2.559 1.00 1.00 C ATOM 547 C ALA A 36 -16.303 -5.145 -1.530 1.00 1.00 C ATOM 548 O ALA A 36 -17.089 -5.124 -0.604 1.00 1.00 O ATOM 549 CB ALA A 36 -17.220 -4.299 -3.715 1.00 1.00 C ATOM 0 H ALA A 36 -14.909 -3.706 -4.181 1.00 1.00 H new ATOM 0 HA ALA A 36 -16.525 -3.095 -2.030 1.00 1.00 H new ATOM 0 HB1 ALA A 36 -18.239 -4.371 -3.334 1.00 1.00 H new ATOM 0 HB2 ALA A 36 -17.162 -3.492 -4.445 1.00 1.00 H new ATOM 0 HB3 ALA A 36 -16.943 -5.240 -4.191 1.00 1.00 H new ATOM 555 N THR A 37 -15.460 -6.133 -1.680 1.00 1.00 N ATOM 556 CA THR A 37 -15.460 -7.257 -0.700 1.00 1.00 C ATOM 557 C THR A 37 -15.148 -6.721 0.697 1.00 1.00 C ATOM 558 O THR A 37 -15.837 -7.016 1.654 1.00 1.00 O ATOM 559 CB THR A 37 -14.356 -8.204 -1.173 1.00 1.00 C ATOM 560 OG1 THR A 37 -14.497 -8.435 -2.567 1.00 1.00 O ATOM 561 CG2 THR A 37 -14.466 -9.529 -0.418 1.00 1.00 C ATOM 0 H THR A 37 -14.776 -6.210 -2.433 1.00 1.00 H new ATOM 0 HA THR A 37 -16.424 -7.762 -0.645 1.00 1.00 H new ATOM 0 HB THR A 37 -13.381 -7.756 -0.978 1.00 1.00 H new ATOM 0 HG1 THR A 37 -13.789 -9.040 -2.872 1.00 1.00 H new ATOM 0 HG21 THR A 37 -13.680 -10.205 -0.754 1.00 1.00 H new ATOM 0 HG22 THR A 37 -14.357 -9.349 0.651 1.00 1.00 H new ATOM 0 HG23 THR A 37 -15.439 -9.979 -0.613 1.00 1.00 H new ATOM 569 N HIS A 38 -14.124 -5.922 0.819 1.00 1.00 N ATOM 570 CA HIS A 38 -13.785 -5.353 2.153 1.00 1.00 C ATOM 571 C HIS A 38 -14.943 -4.478 2.630 1.00 1.00 C ATOM 572 O HIS A 38 -15.190 -4.338 3.812 1.00 1.00 O ATOM 573 CB HIS A 38 -12.530 -4.510 1.921 1.00 1.00 C ATOM 574 CG HIS A 38 -12.760 -3.117 2.439 1.00 1.00 C ATOM 575 ND1 HIS A 38 -12.460 -1.990 1.689 1.00 1.00 N ATOM 576 CD2 HIS A 38 -13.259 -2.651 3.630 1.00 1.00 C ATOM 577 CE1 HIS A 38 -12.778 -0.913 2.429 1.00 1.00 C ATOM 578 NE2 HIS A 38 -13.270 -1.260 3.622 1.00 1.00 N ATOM 0 H HIS A 38 -13.510 -5.639 0.055 1.00 1.00 H new ATOM 0 HA HIS A 38 -13.615 -6.118 2.911 1.00 1.00 H new ATOM 0 HB2 HIS A 38 -11.677 -4.962 2.427 1.00 1.00 H new ATOM 0 HB3 HIS A 38 -12.291 -4.479 0.858 1.00 1.00 H new ATOM 0 HD2 HIS A 38 -13.593 -3.271 4.449 1.00 1.00 H new ATOM 0 HE1 HIS A 38 -12.651 0.108 2.099 1.00 1.00 H new ATOM 0 HE2 HIS A 38 -13.586 -0.639 4.367 1.00 1.00 H new ATOM 586 N ILE A 39 -15.662 -3.900 1.708 1.00 1.00 N ATOM 587 CA ILE A 39 -16.819 -3.040 2.081 1.00 1.00 C ATOM 588 C ILE A 39 -18.089 -3.891 2.159 1.00 1.00 C ATOM 589 O ILE A 39 -18.792 -3.891 3.150 1.00 1.00 O ATOM 590 CB ILE A 39 -16.927 -2.022 0.945 1.00 1.00 C ATOM 591 CG1 ILE A 39 -16.075 -0.795 1.277 1.00 1.00 C ATOM 592 CG2 ILE A 39 -18.385 -1.598 0.771 1.00 1.00 C ATOM 593 CD1 ILE A 39 -14.891 -0.725 0.311 1.00 1.00 C ATOM 0 H ILE A 39 -15.496 -3.987 0.705 1.00 1.00 H new ATOM 0 HA ILE A 39 -16.692 -2.559 3.051 1.00 1.00 H new ATOM 0 HB ILE A 39 -16.570 -2.474 0.020 1.00 1.00 H new ATOM 0 HG12 ILE A 39 -16.676 0.111 1.200 1.00 1.00 H new ATOM 0 HG13 ILE A 39 -15.717 -0.854 2.305 1.00 1.00 H new ATOM 0 HG21 ILE A 39 -18.459 -0.873 -0.039 1.00 1.00 H new ATOM 0 HG22 ILE A 39 -18.992 -2.471 0.532 1.00 1.00 H new ATOM 0 HG23 ILE A 39 -18.746 -1.147 1.696 1.00 1.00 H new ATOM 0 HD11 ILE A 39 -14.282 0.148 0.545 1.00 1.00 H new ATOM 0 HD12 ILE A 39 -14.286 -1.626 0.411 1.00 1.00 H new ATOM 0 HD13 ILE A 39 -15.260 -0.647 -0.712 1.00 1.00 H new ATOM 605 N LEU A 40 -18.381 -4.621 1.117 1.00 1.00 N ATOM 606 CA LEU A 40 -19.597 -5.483 1.122 1.00 1.00 C ATOM 607 C LEU A 40 -19.252 -6.875 1.655 1.00 1.00 C ATOM 608 O LEU A 40 -19.916 -7.399 2.529 1.00 1.00 O ATOM 609 CB LEU A 40 -20.033 -5.561 -0.342 1.00 1.00 C ATOM 610 CG LEU A 40 -21.208 -4.612 -0.576 1.00 1.00 C ATOM 611 CD1 LEU A 40 -20.983 -3.830 -1.872 1.00 1.00 C ATOM 612 CD2 LEU A 40 -22.501 -5.422 -0.688 1.00 1.00 C ATOM 0 H LEU A 40 -17.828 -4.658 0.260 1.00 1.00 H new ATOM 0 HA LEU A 40 -20.385 -5.084 1.760 1.00 1.00 H new ATOM 0 HB2 LEU A 40 -19.202 -5.295 -0.995 1.00 1.00 H new ATOM 0 HB3 LEU A 40 -20.321 -6.582 -0.593 1.00 1.00 H new ATOM 0 HG LEU A 40 -21.285 -3.916 0.259 1.00 1.00 H new ATOM 0 HD11 LEU A 40 -21.821 -3.153 -2.039 1.00 1.00 H new ATOM 0 HD12 LEU A 40 -20.061 -3.254 -1.794 1.00 1.00 H new ATOM 0 HD13 LEU A 40 -20.906 -4.525 -2.708 1.00 1.00 H new ATOM 0 HD21 LEU A 40 -23.340 -4.747 -0.855 1.00 1.00 H new ATOM 0 HD22 LEU A 40 -22.423 -6.118 -1.524 1.00 1.00 H new ATOM 0 HD23 LEU A 40 -22.662 -5.980 0.235 1.00 1.00 H new ATOM 624 N LYS A 41 -18.213 -7.477 1.140 1.00 1.00 N ATOM 625 CA LYS A 41 -17.823 -8.833 1.621 1.00 1.00 C ATOM 626 C LYS A 41 -17.363 -8.757 3.078 1.00 1.00 C ATOM 627 O LYS A 41 -17.436 -9.721 3.816 1.00 1.00 O ATOM 628 CB LYS A 41 -16.668 -9.259 0.715 1.00 1.00 C ATOM 629 CG LYS A 41 -17.221 -9.727 -0.633 1.00 1.00 C ATOM 630 CD LYS A 41 -18.534 -8.999 -0.926 1.00 1.00 C ATOM 631 CE LYS A 41 -18.695 -8.826 -2.438 1.00 1.00 C ATOM 632 NZ LYS A 41 -19.445 -7.549 -2.600 1.00 1.00 N ATOM 0 H LYS A 41 -17.619 -7.088 0.408 1.00 1.00 H new ATOM 0 HA LYS A 41 -18.650 -9.542 1.582 1.00 1.00 H new ATOM 0 HB2 LYS A 41 -15.981 -8.426 0.568 1.00 1.00 H new ATOM 0 HB3 LYS A 41 -16.100 -10.062 1.185 1.00 1.00 H new ATOM 0 HG2 LYS A 41 -16.498 -9.528 -1.424 1.00 1.00 H new ATOM 0 HG3 LYS A 41 -17.386 -10.804 -0.616 1.00 1.00 H new ATOM 0 HD2 LYS A 41 -19.374 -9.565 -0.522 1.00 1.00 H new ATOM 0 HD3 LYS A 41 -18.540 -8.026 -0.435 1.00 1.00 H new ATOM 0 HE2 LYS A 41 -17.726 -8.781 -2.936 1.00 1.00 H new ATOM 0 HE3 LYS A 41 -19.240 -9.662 -2.876 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 -19.595 -7.360 -3.612 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 -20.365 -7.624 -2.121 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 -18.899 -6.770 -2.180 1.00 1.00 H new ATOM 645 N ALA A 42 -16.897 -7.614 3.499 1.00 1.00 N ATOM 646 CA ALA A 42 -16.440 -7.470 4.909 1.00 1.00 C ATOM 647 C ALA A 42 -17.646 -7.494 5.850 1.00 1.00 C ATOM 648 O ALA A 42 -17.533 -7.809 7.017 1.00 1.00 O ATOM 649 CB ALA A 42 -15.742 -6.111 4.965 1.00 1.00 C ATOM 0 H ALA A 42 -16.813 -6.773 2.927 1.00 1.00 H new ATOM 0 HA ALA A 42 -15.776 -8.278 5.216 1.00 1.00 H new ATOM 0 HB1 ALA A 42 -15.376 -5.931 5.976 1.00 1.00 H new ATOM 0 HB2 ALA A 42 -14.903 -6.104 4.269 1.00 1.00 H new ATOM 0 HB3 ALA A 42 -16.448 -5.328 4.690 1.00 1.00 H new ATOM 655 N ALA A 43 -18.804 -7.159 5.346 1.00 1.00 N ATOM 656 CA ALA A 43 -20.020 -7.159 6.208 1.00 1.00 C ATOM 657 C ALA A 43 -21.081 -8.102 5.634 1.00 1.00 C ATOM 658 O ALA A 43 -22.149 -8.259 6.190 1.00 1.00 O ATOM 659 CB ALA A 43 -20.519 -5.714 6.187 1.00 1.00 C ATOM 0 H ALA A 43 -18.960 -6.886 4.376 1.00 1.00 H new ATOM 0 HA ALA A 43 -19.807 -7.504 7.220 1.00 1.00 H new ATOM 0 HB1 ALA A 43 -21.416 -5.630 6.801 1.00 1.00 H new ATOM 0 HB2 ALA A 43 -19.745 -5.056 6.583 1.00 1.00 H new ATOM 0 HB3 ALA A 43 -20.752 -5.424 5.162 1.00 1.00 H new ATOM 665 N ASN A 44 -20.799 -8.730 4.523 1.00 1.00 N ATOM 666 CA ASN A 44 -21.801 -9.656 3.923 1.00 1.00 C ATOM 667 C ASN A 44 -21.110 -10.905 3.366 1.00 1.00 C ATOM 668 O ASN A 44 -21.692 -11.668 2.622 1.00 1.00 O ATOM 669 CB ASN A 44 -22.452 -8.858 2.793 1.00 1.00 C ATOM 670 CG ASN A 44 -21.707 -9.124 1.484 1.00 1.00 C ATOM 671 OD1 ASN A 44 -21.448 -10.259 1.138 1.00 1.00 O ATOM 672 ND2 ASN A 44 -21.348 -8.117 0.735 1.00 1.00 N ATOM 0 H ASN A 44 -19.923 -8.642 4.008 1.00 1.00 H new ATOM 0 HA ASN A 44 -22.531 -9.999 4.656 1.00 1.00 H new ATOM 0 HB2 ASN A 44 -23.500 -9.141 2.691 1.00 1.00 H new ATOM 0 HB3 ASN A 44 -22.430 -7.793 3.026 1.00 1.00 H new ATOM 0 HD21 ASN A 44 -20.851 -8.284 -0.140 1.00 1.00 H new ATOM 0 HD22 ASN A 44 -21.565 -7.163 1.024 1.00 1.00 H new ATOM 679 N PHE A 45 -19.872 -11.120 3.721 1.00 1.00 N ATOM 680 CA PHE A 45 -19.151 -12.321 3.207 1.00 1.00 C ATOM 681 C PHE A 45 -19.242 -12.375 1.680 1.00 1.00 C ATOM 682 O PHE A 45 -20.204 -11.925 1.091 1.00 1.00 O ATOM 683 CB PHE A 45 -19.877 -13.514 3.830 1.00 1.00 C ATOM 684 CG PHE A 45 -18.905 -14.656 4.011 1.00 1.00 C ATOM 685 CD1 PHE A 45 -17.796 -14.506 4.850 1.00 1.00 C ATOM 686 CD2 PHE A 45 -19.115 -15.866 3.338 1.00 1.00 C ATOM 687 CE1 PHE A 45 -16.896 -15.565 5.017 1.00 1.00 C ATOM 688 CE2 PHE A 45 -18.215 -16.925 3.505 1.00 1.00 C ATOM 689 CZ PHE A 45 -17.105 -16.774 4.345 1.00 1.00 C ATOM 0 H PHE A 45 -19.330 -10.519 4.342 1.00 1.00 H new ATOM 0 HA PHE A 45 -18.092 -12.310 3.463 1.00 1.00 H new ATOM 0 HB2 PHE A 45 -20.305 -13.231 4.792 1.00 1.00 H new ATOM 0 HB3 PHE A 45 -20.704 -13.824 3.191 1.00 1.00 H new ATOM 0 HD1 PHE A 45 -17.634 -13.573 5.369 1.00 1.00 H new ATOM 0 HD2 PHE A 45 -19.971 -15.982 2.690 1.00 1.00 H new ATOM 0 HE1 PHE A 45 -16.040 -15.449 5.665 1.00 1.00 H new ATOM 0 HE2 PHE A 45 -18.377 -17.858 2.986 1.00 1.00 H new ATOM 0 HZ PHE A 45 -16.410 -17.591 4.474 1.00 1.00 H new ATOM 699 N ALA A 46 -18.248 -12.920 1.033 1.00 1.00 N ATOM 700 CA ALA A 46 -18.284 -12.997 -0.456 1.00 1.00 C ATOM 701 C ALA A 46 -18.930 -14.308 -0.906 1.00 1.00 C ATOM 702 O ALA A 46 -18.277 -15.320 -1.060 1.00 1.00 O ATOM 703 CB ALA A 46 -16.821 -12.938 -0.894 1.00 1.00 C ATOM 0 H ALA A 46 -17.415 -13.314 1.469 1.00 1.00 H new ATOM 0 HA ALA A 46 -18.872 -12.191 -0.895 1.00 1.00 H new ATOM 0 HB1 ALA A 46 -16.764 -12.990 -1.981 1.00 1.00 H new ATOM 0 HB2 ALA A 46 -16.376 -12.004 -0.551 1.00 1.00 H new ATOM 0 HB3 ALA A 46 -16.278 -13.778 -0.462 1.00 1.00 H new ATOM 709 N LYS A 47 -20.212 -14.283 -1.128 1.00 1.00 N ATOM 710 CA LYS A 47 -20.928 -15.508 -1.582 1.00 1.00 C ATOM 711 C LYS A 47 -21.866 -15.135 -2.727 1.00 1.00 C ATOM 712 O LYS A 47 -21.778 -14.056 -3.277 1.00 1.00 O ATOM 713 CB LYS A 47 -21.720 -15.984 -0.363 1.00 1.00 C ATOM 714 CG LYS A 47 -20.881 -16.989 0.429 1.00 1.00 C ATOM 715 CD LYS A 47 -21.663 -17.448 1.662 1.00 1.00 C ATOM 716 CE LYS A 47 -20.902 -18.580 2.356 1.00 1.00 C ATOM 717 NZ LYS A 47 -21.730 -19.796 2.127 1.00 1.00 N ATOM 0 H LYS A 47 -20.802 -13.459 -1.014 1.00 1.00 H new ATOM 0 HA LYS A 47 -20.257 -16.286 -1.944 1.00 1.00 H new ATOM 0 HB2 LYS A 47 -21.982 -15.135 0.268 1.00 1.00 H new ATOM 0 HB3 LYS A 47 -22.655 -16.445 -0.681 1.00 1.00 H new ATOM 0 HG2 LYS A 47 -20.634 -17.846 -0.198 1.00 1.00 H new ATOM 0 HG3 LYS A 47 -19.938 -16.533 0.732 1.00 1.00 H new ATOM 0 HD2 LYS A 47 -21.802 -16.614 2.349 1.00 1.00 H new ATOM 0 HD3 LYS A 47 -22.656 -17.789 1.370 1.00 1.00 H new ATOM 0 HE2 LYS A 47 -19.902 -18.698 1.938 1.00 1.00 H new ATOM 0 HE3 LYS A 47 -20.780 -18.380 3.421 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 -21.273 -20.616 2.574 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 -22.674 -19.657 2.542 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 -21.823 -19.966 1.105 1.00 1.00 H new ATOM 730 N ALA A 48 -22.770 -16.000 -3.093 1.00 1.00 N ATOM 731 CA ALA A 48 -23.694 -15.640 -4.202 1.00 1.00 C ATOM 732 C ALA A 48 -24.311 -14.282 -3.885 1.00 1.00 C ATOM 733 O ALA A 48 -24.705 -13.540 -4.763 1.00 1.00 O ATOM 734 CB ALA A 48 -24.761 -16.736 -4.212 1.00 1.00 C ATOM 0 H ALA A 48 -22.908 -16.923 -2.681 1.00 1.00 H new ATOM 0 HA ALA A 48 -23.201 -15.570 -5.172 1.00 1.00 H new ATOM 0 HB1 ALA A 48 -25.480 -16.537 -5.007 1.00 1.00 H new ATOM 0 HB2 ALA A 48 -24.288 -17.703 -4.385 1.00 1.00 H new ATOM 0 HB3 ALA A 48 -25.277 -16.751 -3.252 1.00 1.00 H new ATOM 740 N LYS A 49 -24.362 -13.941 -2.627 1.00 1.00 N ATOM 741 CA LYS A 49 -24.910 -12.617 -2.235 1.00 1.00 C ATOM 742 C LYS A 49 -23.958 -11.518 -2.716 1.00 1.00 C ATOM 743 O LYS A 49 -24.360 -10.577 -3.372 1.00 1.00 O ATOM 744 CB LYS A 49 -24.971 -12.646 -0.708 1.00 1.00 C ATOM 745 CG LYS A 49 -26.423 -12.823 -0.257 1.00 1.00 C ATOM 746 CD LYS A 49 -26.899 -14.233 -0.613 1.00 1.00 C ATOM 747 CE LYS A 49 -27.054 -14.353 -2.130 1.00 1.00 C ATOM 748 NZ LYS A 49 -27.736 -15.659 -2.344 1.00 1.00 N ATOM 0 H LYS A 49 -24.046 -14.526 -1.853 1.00 1.00 H new ATOM 0 HA LYS A 49 -25.890 -12.418 -2.669 1.00 1.00 H new ATOM 0 HB2 LYS A 49 -24.358 -13.462 -0.325 1.00 1.00 H new ATOM 0 HB3 LYS A 49 -24.563 -11.722 -0.300 1.00 1.00 H new ATOM 0 HG2 LYS A 49 -26.504 -12.661 0.818 1.00 1.00 H new ATOM 0 HG3 LYS A 49 -27.058 -12.080 -0.740 1.00 1.00 H new ATOM 0 HD2 LYS A 49 -26.184 -14.972 -0.251 1.00 1.00 H new ATOM 0 HD3 LYS A 49 -27.850 -14.442 -0.122 1.00 1.00 H new ATOM 0 HE2 LYS A 49 -27.643 -13.529 -2.533 1.00 1.00 H new ATOM 0 HE3 LYS A 49 -26.085 -14.327 -2.629 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 -27.878 -15.814 -3.363 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 -27.149 -16.425 -1.956 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 -28.658 -15.652 -1.863 1.00 1.00 H new ATOM 761 N ARG A 50 -22.692 -11.635 -2.396 1.00 1.00 N ATOM 762 CA ARG A 50 -21.716 -10.601 -2.837 1.00 1.00 C ATOM 763 C ARG A 50 -21.683 -10.534 -4.364 1.00 1.00 C ATOM 764 O ARG A 50 -21.391 -9.508 -4.944 1.00 1.00 O ATOM 765 CB ARG A 50 -20.366 -11.068 -2.290 1.00 1.00 C ATOM 766 CG ARG A 50 -19.412 -11.346 -3.452 1.00 1.00 C ATOM 767 CD ARG A 50 -19.300 -12.856 -3.674 1.00 1.00 C ATOM 768 NE ARG A 50 -18.977 -13.009 -5.120 1.00 1.00 N ATOM 769 CZ ARG A 50 -17.808 -13.461 -5.483 1.00 1.00 C ATOM 770 NH1 ARG A 50 -16.923 -13.781 -4.580 1.00 1.00 N ATOM 771 NH2 ARG A 50 -17.525 -13.594 -6.750 1.00 1.00 N ATOM 0 H ARG A 50 -22.297 -12.401 -1.850 1.00 1.00 H new ATOM 0 HA ARG A 50 -21.975 -9.605 -2.478 1.00 1.00 H new ATOM 0 HB2 ARG A 50 -19.945 -10.306 -1.634 1.00 1.00 H new ATOM 0 HB3 ARG A 50 -20.497 -11.968 -1.690 1.00 1.00 H new ATOM 0 HG2 ARG A 50 -19.775 -10.861 -4.358 1.00 1.00 H new ATOM 0 HG3 ARG A 50 -18.429 -10.926 -3.238 1.00 1.00 H new ATOM 0 HD2 ARG A 50 -18.521 -13.291 -3.047 1.00 1.00 H new ATOM 0 HD3 ARG A 50 -20.232 -13.362 -3.422 1.00 1.00 H new ATOM 0 HE ARG A 50 -19.670 -12.760 -5.826 1.00 1.00 H new ATOM 0 HH11 ARG A 50 -17.145 -13.678 -3.590 1.00 1.00 H new ATOM 0 HH12 ARG A 50 -16.009 -14.134 -4.864 1.00 1.00 H new ATOM 0 HH21 ARG A 50 -18.218 -13.345 -7.456 1.00 1.00 H new ATOM 0 HH22 ARG A 50 -16.611 -13.947 -7.034 1.00 1.00 H new ATOM 784 N THR A 51 -21.993 -11.619 -5.020 1.00 1.00 N ATOM 785 CA THR A 51 -21.991 -11.610 -6.510 1.00 1.00 C ATOM 786 C THR A 51 -23.106 -10.695 -7.015 1.00 1.00 C ATOM 787 O THR A 51 -22.958 -10.003 -8.003 1.00 1.00 O ATOM 788 CB THR A 51 -22.254 -13.061 -6.919 1.00 1.00 C ATOM 789 OG1 THR A 51 -21.032 -13.784 -6.905 1.00 1.00 O ATOM 790 CG2 THR A 51 -22.854 -13.095 -8.325 1.00 1.00 C ATOM 0 H THR A 51 -22.247 -12.508 -4.590 1.00 1.00 H new ATOM 0 HA THR A 51 -21.054 -11.241 -6.927 1.00 1.00 H new ATOM 0 HB THR A 51 -22.953 -13.516 -6.217 1.00 1.00 H new ATOM 0 HG1 THR A 51 -21.199 -14.714 -7.165 1.00 1.00 H new ATOM 0 HG21 THR A 51 -23.041 -14.129 -8.616 1.00 1.00 H new ATOM 0 HG22 THR A 51 -23.792 -12.540 -8.334 1.00 1.00 H new ATOM 0 HG23 THR A 51 -22.157 -12.640 -9.029 1.00 1.00 H new ATOM 798 N ARG A 52 -24.218 -10.679 -6.335 1.00 1.00 N ATOM 799 CA ARG A 52 -25.342 -9.798 -6.763 1.00 1.00 C ATOM 800 C ARG A 52 -25.267 -8.472 -6.005 1.00 1.00 C ATOM 801 O ARG A 52 -25.079 -7.422 -6.585 1.00 1.00 O ATOM 802 CB ARG A 52 -26.613 -10.563 -6.391 1.00 1.00 C ATOM 803 CG ARG A 52 -27.438 -10.827 -7.653 1.00 1.00 C ATOM 804 CD ARG A 52 -27.198 -12.261 -8.130 1.00 1.00 C ATOM 805 NE ARG A 52 -27.420 -12.219 -9.602 1.00 1.00 N ATOM 806 CZ ARG A 52 -27.637 -13.323 -10.262 1.00 1.00 C ATOM 807 NH1 ARG A 52 -27.660 -14.465 -9.630 1.00 1.00 N ATOM 808 NH2 ARG A 52 -27.832 -13.286 -11.551 1.00 1.00 N ATOM 0 H ARG A 52 -24.398 -11.238 -5.501 1.00 1.00 H new ATOM 0 HA ARG A 52 -25.313 -9.566 -7.828 1.00 1.00 H new ATOM 0 HB2 ARG A 52 -26.355 -11.506 -5.909 1.00 1.00 H new ATOM 0 HB3 ARG A 52 -27.199 -9.988 -5.674 1.00 1.00 H new ATOM 0 HG2 ARG A 52 -28.497 -10.674 -7.446 1.00 1.00 H new ATOM 0 HG3 ARG A 52 -27.161 -10.121 -8.436 1.00 1.00 H new ATOM 0 HD2 ARG A 52 -26.187 -12.592 -7.892 1.00 1.00 H new ATOM 0 HD3 ARG A 52 -27.883 -12.958 -7.647 1.00 1.00 H new ATOM 0 HE ARG A 52 -27.402 -11.326 -10.095 1.00 1.00 H new ATOM 0 HH11 ARG A 52 -27.508 -14.493 -8.622 1.00 1.00 H new ATOM 0 HH12 ARG A 52 -27.830 -15.329 -10.144 1.00 1.00 H new ATOM 0 HH21 ARG A 52 -27.815 -12.393 -12.044 1.00 1.00 H new ATOM 0 HH22 ARG A 52 -28.002 -14.150 -12.066 1.00 1.00 H new ATOM 821 N ILE A 53 -25.413 -8.515 -4.710 1.00 1.00 N ATOM 822 CA ILE A 53 -25.348 -7.259 -3.910 1.00 1.00 C ATOM 823 C ILE A 53 -24.143 -6.423 -4.351 1.00 1.00 C ATOM 824 O ILE A 53 -24.244 -5.228 -4.546 1.00 1.00 O ATOM 825 CB ILE A 53 -25.182 -7.719 -2.462 1.00 1.00 C ATOM 826 CG1 ILE A 53 -23.797 -8.345 -2.283 1.00 1.00 C ATOM 827 CG2 ILE A 53 -26.256 -8.755 -2.129 1.00 1.00 C ATOM 828 CD1 ILE A 53 -23.693 -8.967 -0.889 1.00 1.00 C ATOM 0 H ILE A 53 -25.575 -9.365 -4.170 1.00 1.00 H new ATOM 0 HA ILE A 53 -26.234 -6.637 -4.038 1.00 1.00 H new ATOM 0 HB ILE A 53 -25.284 -6.863 -1.795 1.00 1.00 H new ATOM 0 HG12 ILE A 53 -23.629 -9.106 -3.045 1.00 1.00 H new ATOM 0 HG13 ILE A 53 -23.024 -7.587 -2.413 1.00 1.00 H new ATOM 0 HG21 ILE A 53 -26.137 -9.083 -1.096 1.00 1.00 H new ATOM 0 HG22 ILE A 53 -27.243 -8.310 -2.257 1.00 1.00 H new ATOM 0 HG23 ILE A 53 -26.154 -9.611 -2.796 1.00 1.00 H new ATOM 0 HD11 ILE A 53 -22.706 -9.413 -0.762 1.00 1.00 H new ATOM 0 HD12 ILE A 53 -23.842 -8.195 -0.134 1.00 1.00 H new ATOM 0 HD13 ILE A 53 -24.456 -9.737 -0.776 1.00 1.00 H new ATOM 840 N LEU A 54 -23.008 -7.043 -4.529 1.00 1.00 N ATOM 841 CA LEU A 54 -21.812 -6.276 -4.981 1.00 1.00 C ATOM 842 C LEU A 54 -22.025 -5.801 -6.420 1.00 1.00 C ATOM 843 O LEU A 54 -21.999 -4.623 -6.712 1.00 1.00 O ATOM 844 CB LEU A 54 -20.651 -7.269 -4.907 1.00 1.00 C ATOM 845 CG LEU A 54 -19.324 -6.507 -4.937 1.00 1.00 C ATOM 846 CD1 LEU A 54 -18.254 -7.317 -4.205 1.00 1.00 C ATOM 847 CD2 LEU A 54 -18.895 -6.290 -6.390 1.00 1.00 C ATOM 0 H LEU A 54 -22.857 -8.041 -4.382 1.00 1.00 H new ATOM 0 HA LEU A 54 -21.623 -5.392 -4.371 1.00 1.00 H new ATOM 0 HB2 LEU A 54 -20.722 -7.861 -3.994 1.00 1.00 H new ATOM 0 HB3 LEU A 54 -20.701 -7.966 -5.743 1.00 1.00 H new ATOM 0 HG LEU A 54 -19.447 -5.542 -4.446 1.00 1.00 H new ATOM 0 HD11 LEU A 54 -17.309 -6.774 -4.226 1.00 1.00 H new ATOM 0 HD12 LEU A 54 -18.560 -7.473 -3.170 1.00 1.00 H new ATOM 0 HD13 LEU A 54 -18.129 -8.282 -4.696 1.00 1.00 H new ATOM 0 HD21 LEU A 54 -17.950 -5.747 -6.413 1.00 1.00 H new ATOM 0 HD22 LEU A 54 -18.771 -7.255 -6.881 1.00 1.00 H new ATOM 0 HD23 LEU A 54 -19.658 -5.713 -6.912 1.00 1.00 H new ATOM 859 N GLU A 55 -22.241 -6.723 -7.318 1.00 1.00 N ATOM 860 CA GLU A 55 -22.461 -6.347 -8.744 1.00 1.00 C ATOM 861 C GLU A 55 -23.625 -5.359 -8.853 1.00 1.00 C ATOM 862 O GLU A 55 -23.545 -4.366 -9.547 1.00 1.00 O ATOM 863 CB GLU A 55 -22.801 -7.659 -9.452 1.00 1.00 C ATOM 864 CG GLU A 55 -21.943 -7.796 -10.711 1.00 1.00 C ATOM 865 CD GLU A 55 -20.512 -7.352 -10.406 1.00 1.00 C ATOM 866 OE1 GLU A 55 -20.247 -6.165 -10.499 1.00 1.00 O ATOM 867 OE2 GLU A 55 -19.703 -8.207 -10.085 1.00 1.00 O ATOM 0 H GLU A 55 -22.275 -7.724 -7.125 1.00 1.00 H new ATOM 0 HA GLU A 55 -21.590 -5.862 -9.184 1.00 1.00 H new ATOM 0 HB2 GLU A 55 -22.623 -8.502 -8.784 1.00 1.00 H new ATOM 0 HB3 GLU A 55 -23.858 -7.679 -9.716 1.00 1.00 H new ATOM 0 HG2 GLU A 55 -21.948 -8.830 -11.056 1.00 1.00 H new ATOM 0 HG3 GLU A 55 -22.359 -7.189 -11.515 1.00 1.00 H new ATOM 874 N LYS A 56 -24.705 -5.623 -8.170 1.00 1.00 N ATOM 875 CA LYS A 56 -25.871 -4.696 -8.233 1.00 1.00 C ATOM 876 C LYS A 56 -25.561 -3.409 -7.466 1.00 1.00 C ATOM 877 O LYS A 56 -26.057 -2.347 -7.788 1.00 1.00 O ATOM 878 CB LYS A 56 -27.018 -5.455 -7.564 1.00 1.00 C ATOM 879 CG LYS A 56 -27.927 -4.466 -6.832 1.00 1.00 C ATOM 880 CD LYS A 56 -28.619 -5.174 -5.666 1.00 1.00 C ATOM 881 CE LYS A 56 -30.128 -5.220 -5.918 1.00 1.00 C ATOM 882 NZ LYS A 56 -30.711 -4.264 -4.937 1.00 1.00 N ATOM 0 H LYS A 56 -24.831 -6.439 -7.572 1.00 1.00 H new ATOM 0 HA LYS A 56 -26.116 -4.408 -9.255 1.00 1.00 H new ATOM 0 HB2 LYS A 56 -27.589 -6.005 -8.312 1.00 1.00 H new ATOM 0 HB3 LYS A 56 -26.622 -6.189 -6.862 1.00 1.00 H new ATOM 0 HG2 LYS A 56 -27.343 -3.623 -6.464 1.00 1.00 H new ATOM 0 HG3 LYS A 56 -28.671 -4.062 -7.519 1.00 1.00 H new ATOM 0 HD2 LYS A 56 -28.227 -6.185 -5.557 1.00 1.00 H new ATOM 0 HD3 LYS A 56 -28.411 -4.649 -4.733 1.00 1.00 H new ATOM 0 HE2 LYS A 56 -30.366 -4.930 -6.941 1.00 1.00 H new ATOM 0 HE3 LYS A 56 -30.522 -6.226 -5.772 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 -31.745 -4.240 -5.048 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 -30.473 -4.569 -3.972 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 -30.323 -3.314 -5.105 1.00 1.00 H new ATOM 895 N GLU A 57 -24.740 -3.494 -6.456 1.00 1.00 N ATOM 896 CA GLU A 57 -24.393 -2.276 -5.670 1.00 1.00 C ATOM 897 C GLU A 57 -23.166 -1.590 -6.276 1.00 1.00 C ATOM 898 O GLU A 57 -23.131 -0.386 -6.436 1.00 1.00 O ATOM 899 CB GLU A 57 -24.081 -2.787 -4.263 1.00 1.00 C ATOM 900 CG GLU A 57 -23.130 -1.814 -3.565 1.00 1.00 C ATOM 901 CD GLU A 57 -23.031 -0.523 -4.381 1.00 1.00 C ATOM 902 OE1 GLU A 57 -24.068 -0.005 -4.762 1.00 1.00 O ATOM 903 OE2 GLU A 57 -21.920 -0.074 -4.610 1.00 1.00 O ATOM 0 H GLU A 57 -24.294 -4.355 -6.140 1.00 1.00 H new ATOM 0 HA GLU A 57 -25.199 -1.542 -5.667 1.00 1.00 H new ATOM 0 HB2 GLU A 57 -25.002 -2.887 -3.689 1.00 1.00 H new ATOM 0 HB3 GLU A 57 -23.630 -3.778 -4.316 1.00 1.00 H new ATOM 0 HG2 GLU A 57 -23.490 -1.595 -2.560 1.00 1.00 H new ATOM 0 HG3 GLU A 57 -22.144 -2.266 -3.459 1.00 1.00 H new ATOM 910 N VAL A 58 -22.159 -2.348 -6.616 1.00 1.00 N ATOM 911 CA VAL A 58 -20.938 -1.739 -7.212 1.00 1.00 C ATOM 912 C VAL A 58 -21.030 -1.750 -8.740 1.00 1.00 C ATOM 913 O VAL A 58 -20.781 -0.756 -9.392 1.00 1.00 O ATOM 914 CB VAL A 58 -19.784 -2.623 -6.736 1.00 1.00 C ATOM 915 CG1 VAL A 58 -20.337 -3.806 -5.940 1.00 1.00 C ATOM 916 CG2 VAL A 58 -19.010 -3.145 -7.948 1.00 1.00 C ATOM 0 H VAL A 58 -22.130 -3.362 -6.507 1.00 1.00 H new ATOM 0 HA VAL A 58 -20.807 -0.699 -6.912 1.00 1.00 H new ATOM 0 HB VAL A 58 -19.119 -2.038 -6.101 1.00 1.00 H new ATOM 0 HG11 VAL A 58 -19.513 -4.434 -5.602 1.00 1.00 H new ATOM 0 HG12 VAL A 58 -20.890 -3.437 -5.076 1.00 1.00 H new ATOM 0 HG13 VAL A 58 -21.003 -4.391 -6.574 1.00 1.00 H new ATOM 0 HG21 VAL A 58 -18.187 -3.775 -7.610 1.00 1.00 H new ATOM 0 HG22 VAL A 58 -19.677 -3.729 -8.582 1.00 1.00 H new ATOM 0 HG23 VAL A 58 -18.613 -2.304 -8.516 1.00 1.00 H new ATOM 926 N LEU A 59 -21.386 -2.866 -9.319 1.00 1.00 N ATOM 927 CA LEU A 59 -21.489 -2.928 -10.805 1.00 1.00 C ATOM 928 C LEU A 59 -21.976 -1.584 -11.350 1.00 1.00 C ATOM 929 O LEU A 59 -21.435 -1.056 -12.300 1.00 1.00 O ATOM 930 CB LEU A 59 -22.517 -4.025 -11.086 1.00 1.00 C ATOM 931 CG LEU A 59 -22.374 -4.503 -12.532 1.00 1.00 C ATOM 932 CD1 LEU A 59 -23.543 -5.424 -12.884 1.00 1.00 C ATOM 933 CD2 LEU A 59 -22.380 -3.293 -13.469 1.00 1.00 C ATOM 0 H LEU A 59 -21.609 -3.733 -8.830 1.00 1.00 H new ATOM 0 HA LEU A 59 -20.531 -3.139 -11.280 1.00 1.00 H new ATOM 0 HB2 LEU A 59 -22.370 -4.859 -10.400 1.00 1.00 H new ATOM 0 HB3 LEU A 59 -23.525 -3.646 -10.916 1.00 1.00 H new ATOM 0 HG LEU A 59 -21.437 -5.048 -12.644 1.00 1.00 H new ATOM 0 HD11 LEU A 59 -23.441 -5.764 -13.914 1.00 1.00 H new ATOM 0 HD12 LEU A 59 -23.542 -6.285 -12.216 1.00 1.00 H new ATOM 0 HD13 LEU A 59 -24.481 -4.880 -12.773 1.00 1.00 H new ATOM 0 HD21 LEU A 59 -22.278 -3.631 -14.500 1.00 1.00 H new ATOM 0 HD22 LEU A 59 -23.318 -2.750 -13.356 1.00 1.00 H new ATOM 0 HD23 LEU A 59 -21.548 -2.635 -13.219 1.00 1.00 H new ATOM 945 N LYS A 60 -22.989 -1.022 -10.748 1.00 1.00 N ATOM 946 CA LYS A 60 -23.505 0.292 -11.224 1.00 1.00 C ATOM 947 C LYS A 60 -22.793 1.429 -10.486 1.00 1.00 C ATOM 948 O LYS A 60 -22.637 2.518 -11.001 1.00 1.00 O ATOM 949 CB LYS A 60 -24.995 0.280 -10.887 1.00 1.00 C ATOM 950 CG LYS A 60 -25.202 0.789 -9.458 1.00 1.00 C ATOM 951 CD LYS A 60 -26.609 1.375 -9.324 1.00 1.00 C ATOM 952 CE LYS A 60 -27.384 0.603 -8.254 1.00 1.00 C ATOM 953 NZ LYS A 60 -27.328 1.467 -7.042 1.00 1.00 N ATOM 0 H LYS A 60 -23.481 -1.417 -9.947 1.00 1.00 H new ATOM 0 HA LYS A 60 -23.334 0.446 -12.290 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -25.542 0.908 -11.590 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -25.392 -0.730 -10.985 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -25.067 -0.026 -8.747 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -24.456 1.547 -9.219 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -26.551 2.430 -9.056 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -27.131 1.317 -10.279 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -28.413 0.424 -8.564 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -26.933 -0.371 -8.066 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -27.839 1.005 -6.263 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -26.336 1.615 -6.767 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -27.770 2.385 -7.249 1.00 1.00 H new ATOM 966 N GLU A 61 -22.361 1.180 -9.279 1.00 1.00 N ATOM 967 CA GLU A 61 -21.660 2.242 -8.502 1.00 1.00 C ATOM 968 C GLU A 61 -20.153 2.183 -8.764 1.00 1.00 C ATOM 969 O GLU A 61 -19.394 1.664 -7.970 1.00 1.00 O ATOM 970 CB GLU A 61 -21.964 1.927 -7.038 1.00 1.00 C ATOM 971 CG GLU A 61 -23.135 2.788 -6.563 1.00 1.00 C ATOM 972 CD GLU A 61 -23.135 4.115 -7.323 1.00 1.00 C ATOM 973 OE1 GLU A 61 -22.192 4.870 -7.156 1.00 1.00 O ATOM 974 OE2 GLU A 61 -24.078 4.353 -8.061 1.00 1.00 O ATOM 0 H GLU A 61 -22.463 0.287 -8.798 1.00 1.00 H new ATOM 0 HA GLU A 61 -21.990 3.243 -8.780 1.00 1.00 H new ATOM 0 HB2 GLU A 61 -22.207 0.870 -6.925 1.00 1.00 H new ATOM 0 HB3 GLU A 61 -21.085 2.119 -6.423 1.00 1.00 H new ATOM 0 HG2 GLU A 61 -24.076 2.263 -6.727 1.00 1.00 H new ATOM 0 HG3 GLU A 61 -23.055 2.971 -5.491 1.00 1.00 H new ATOM 981 N THR A 62 -19.715 2.715 -9.872 1.00 1.00 N ATOM 982 CA THR A 62 -18.259 2.692 -10.188 1.00 1.00 C ATOM 983 C THR A 62 -17.600 1.455 -9.572 1.00 1.00 C ATOM 984 O THR A 62 -16.778 1.554 -8.683 1.00 1.00 O ATOM 985 CB THR A 62 -17.698 3.968 -9.558 1.00 1.00 C ATOM 986 OG1 THR A 62 -18.643 5.019 -9.700 1.00 1.00 O ATOM 987 CG2 THR A 62 -16.393 4.354 -10.257 1.00 1.00 C ATOM 0 H THR A 62 -20.304 3.165 -10.573 1.00 1.00 H new ATOM 0 HA THR A 62 -18.071 2.648 -11.261 1.00 1.00 H new ATOM 0 HB THR A 62 -17.502 3.795 -8.500 1.00 1.00 H new ATOM 0 HG1 THR A 62 -18.286 5.837 -9.295 1.00 1.00 H new ATOM 0 HG21 THR A 62 -15.994 5.263 -9.807 1.00 1.00 H new ATOM 0 HG22 THR A 62 -15.669 3.547 -10.147 1.00 1.00 H new ATOM 0 HG23 THR A 62 -16.585 4.527 -11.316 1.00 1.00 H new ATOM 995 N HIS A 63 -17.952 0.289 -10.041 1.00 1.00 N ATOM 996 CA HIS A 63 -17.344 -0.953 -9.484 1.00 1.00 C ATOM 997 C HIS A 63 -15.931 -1.147 -10.042 1.00 1.00 C ATOM 998 O HIS A 63 -15.516 -0.463 -10.957 1.00 1.00 O ATOM 999 CB HIS A 63 -18.261 -2.085 -9.948 1.00 1.00 C ATOM 1000 CG HIS A 63 -18.006 -2.374 -11.401 1.00 1.00 C ATOM 1001 ND1 HIS A 63 -17.647 -1.383 -12.300 1.00 1.00 N ATOM 1002 CD2 HIS A 63 -18.052 -3.540 -12.126 1.00 1.00 C ATOM 1003 CE1 HIS A 63 -17.492 -1.965 -13.504 1.00 1.00 C ATOM 1004 NE2 HIS A 63 -17.728 -3.277 -13.454 1.00 1.00 N ATOM 0 H HIS A 63 -18.634 0.143 -10.785 1.00 1.00 H new ATOM 0 HA HIS A 63 -17.255 -0.918 -8.398 1.00 1.00 H new ATOM 0 HB2 HIS A 63 -18.082 -2.980 -9.352 1.00 1.00 H new ATOM 0 HB3 HIS A 63 -19.304 -1.806 -9.799 1.00 1.00 H new ATOM 0 HD2 HIS A 63 -18.301 -4.512 -11.727 1.00 1.00 H new ATOM 0 HE1 HIS A 63 -17.211 -1.434 -14.401 1.00 1.00 H new ATOM 0 HE2 HIS A 63 -17.681 -3.944 -14.224 1.00 1.00 H new ATOM 1012 N GLU A 64 -15.189 -2.073 -9.501 1.00 1.00 N ATOM 1013 CA GLU A 64 -13.805 -2.308 -10.004 1.00 1.00 C ATOM 1014 C GLU A 64 -13.501 -3.809 -10.032 1.00 1.00 C ATOM 1015 O GLU A 64 -13.656 -4.504 -9.047 1.00 1.00 O ATOM 1016 CB GLU A 64 -12.893 -1.588 -9.010 1.00 1.00 C ATOM 1017 CG GLU A 64 -13.277 -0.108 -8.943 1.00 1.00 C ATOM 1018 CD GLU A 64 -13.424 0.446 -10.361 1.00 1.00 C ATOM 1019 OE1 GLU A 64 -12.982 -0.217 -11.284 1.00 1.00 O ATOM 1020 OE2 GLU A 64 -13.978 1.525 -10.499 1.00 1.00 O ATOM 0 H GLU A 64 -15.480 -2.677 -8.733 1.00 1.00 H new ATOM 0 HA GLU A 64 -13.665 -1.939 -11.020 1.00 1.00 H new ATOM 0 HB2 GLU A 64 -12.982 -2.043 -8.023 1.00 1.00 H new ATOM 0 HB3 GLU A 64 -11.852 -1.691 -9.315 1.00 1.00 H new ATOM 0 HG2 GLU A 64 -14.212 0.012 -8.396 1.00 1.00 H new ATOM 0 HG3 GLU A 64 -12.516 0.452 -8.400 1.00 1.00 H new ATOM 1027 N LYS A 65 -13.063 -4.310 -11.153 1.00 1.00 N ATOM 1028 CA LYS A 65 -12.738 -5.763 -11.250 1.00 1.00 C ATOM 1029 C LYS A 65 -11.234 -5.952 -11.467 1.00 1.00 C ATOM 1030 O LYS A 65 -10.752 -5.891 -12.580 1.00 1.00 O ATOM 1031 CB LYS A 65 -13.523 -6.265 -12.461 1.00 1.00 C ATOM 1032 CG LYS A 65 -14.299 -7.527 -12.080 1.00 1.00 C ATOM 1033 CD LYS A 65 -14.918 -8.145 -13.336 1.00 1.00 C ATOM 1034 CE LYS A 65 -15.066 -9.656 -13.142 1.00 1.00 C ATOM 1035 NZ LYS A 65 -15.576 -9.817 -11.753 1.00 1.00 N ATOM 0 H LYS A 65 -12.915 -3.776 -12.009 1.00 1.00 H new ATOM 0 HA LYS A 65 -13.000 -6.308 -10.343 1.00 1.00 H new ATOM 0 HB2 LYS A 65 -14.211 -5.493 -12.807 1.00 1.00 H new ATOM 0 HB3 LYS A 65 -12.843 -6.479 -13.285 1.00 1.00 H new ATOM 0 HG2 LYS A 65 -13.634 -8.244 -11.599 1.00 1.00 H new ATOM 0 HG3 LYS A 65 -15.080 -7.283 -11.359 1.00 1.00 H new ATOM 0 HD2 LYS A 65 -15.891 -7.696 -13.533 1.00 1.00 H new ATOM 0 HD3 LYS A 65 -14.290 -7.939 -14.203 1.00 1.00 H new ATOM 0 HE2 LYS A 65 -15.758 -10.081 -13.869 1.00 1.00 H new ATOM 0 HE3 LYS A 65 -14.112 -10.166 -13.274 1.00 1.00 H new ATOM 0 HZ1 LYS A 65 -16.106 -10.709 -11.679 1.00 1.00 H new ATOM 0 HZ2 LYS A 65 -14.776 -9.834 -11.089 1.00 1.00 H new ATOM 0 HZ3 LYS A 65 -16.203 -9.021 -11.519 1.00 1.00 H new ATOM 1048 N VAL A 66 -10.484 -6.174 -10.422 1.00 1.00 N ATOM 1049 CA VAL A 66 -9.013 -6.357 -10.591 1.00 1.00 C ATOM 1050 C VAL A 66 -8.682 -7.831 -10.835 1.00 1.00 C ATOM 1051 O VAL A 66 -8.837 -8.666 -9.967 1.00 1.00 O ATOM 1052 CB VAL A 66 -8.404 -5.884 -9.272 1.00 1.00 C ATOM 1053 CG1 VAL A 66 -8.097 -4.388 -9.357 1.00 1.00 C ATOM 1054 CG2 VAL A 66 -9.395 -6.136 -8.134 1.00 1.00 C ATOM 0 H VAL A 66 -10.824 -6.236 -9.462 1.00 1.00 H new ATOM 0 HA VAL A 66 -8.625 -5.802 -11.445 1.00 1.00 H new ATOM 0 HB VAL A 66 -7.482 -6.433 -9.081 1.00 1.00 H new ATOM 0 HG11 VAL A 66 -7.663 -4.052 -8.416 1.00 1.00 H new ATOM 0 HG12 VAL A 66 -7.391 -4.207 -10.168 1.00 1.00 H new ATOM 0 HG13 VAL A 66 -9.018 -3.838 -9.549 1.00 1.00 H new ATOM 0 HG21 VAL A 66 -8.961 -5.799 -7.193 1.00 1.00 H new ATOM 0 HG22 VAL A 66 -10.317 -5.587 -8.326 1.00 1.00 H new ATOM 0 HG23 VAL A 66 -9.614 -7.202 -8.071 1.00 1.00 H new ATOM 1064 N GLN A 67 -8.223 -8.157 -12.014 1.00 1.00 N ATOM 1065 CA GLN A 67 -7.877 -9.576 -12.315 1.00 1.00 C ATOM 1066 C GLN A 67 -6.631 -9.639 -13.203 1.00 1.00 C ATOM 1067 O GLN A 67 -6.234 -8.659 -13.803 1.00 1.00 O ATOM 1068 CB GLN A 67 -9.094 -10.132 -13.056 1.00 1.00 C ATOM 1069 CG GLN A 67 -9.981 -8.975 -13.520 1.00 1.00 C ATOM 1070 CD GLN A 67 -10.909 -8.554 -12.379 1.00 1.00 C ATOM 1071 OE1 GLN A 67 -11.792 -7.741 -12.566 1.00 1.00 O ATOM 1072 NE2 GLN A 67 -10.745 -9.077 -11.194 1.00 1.00 N ATOM 0 H GLN A 67 -8.073 -7.502 -12.781 1.00 1.00 H new ATOM 0 HA GLN A 67 -7.653 -10.147 -11.414 1.00 1.00 H new ATOM 0 HB2 GLN A 67 -8.772 -10.724 -13.913 1.00 1.00 H new ATOM 0 HB3 GLN A 67 -9.658 -10.798 -12.403 1.00 1.00 H new ATOM 0 HG2 GLN A 67 -9.364 -8.132 -13.831 1.00 1.00 H new ATOM 0 HG3 GLN A 67 -10.568 -9.278 -14.387 1.00 1.00 H new ATOM 0 HE21 GLN A 67 -10.004 -9.760 -11.036 1.00 1.00 H new ATOM 0 HE22 GLN A 67 -11.358 -8.803 -10.426 1.00 1.00 H new ATOM 1081 N GLY A 68 -6.015 -10.785 -13.297 1.00 1.00 N ATOM 1082 CA GLY A 68 -4.797 -10.910 -14.150 1.00 1.00 C ATOM 1083 C GLY A 68 -3.562 -10.488 -13.351 1.00 1.00 C ATOM 1084 O GLY A 68 -2.521 -10.201 -13.909 1.00 1.00 O ATOM 0 H GLY A 68 -6.301 -11.640 -12.821 1.00 1.00 H new ATOM 0 HA2 GLY A 68 -4.686 -11.938 -14.493 1.00 1.00 H new ATOM 0 HA3 GLY A 68 -4.898 -10.286 -15.038 1.00 1.00 H new ATOM 1088 N GLY A 69 -3.668 -10.449 -12.052 1.00 1.00 N ATOM 1089 CA GLY A 69 -2.495 -10.046 -11.222 1.00 1.00 C ATOM 1090 C GLY A 69 -2.568 -8.547 -10.927 1.00 1.00 C ATOM 1091 O GLY A 69 -1.836 -8.031 -10.105 1.00 1.00 O ATOM 0 H GLY A 69 -4.513 -10.678 -11.529 1.00 1.00 H new ATOM 0 HA2 GLY A 69 -2.485 -10.611 -10.290 1.00 1.00 H new ATOM 0 HA3 GLY A 69 -1.568 -10.279 -11.746 1.00 1.00 H new ATOM 1095 N PHE A 70 -3.449 -7.845 -11.586 1.00 1.00 N ATOM 1096 CA PHE A 70 -3.572 -6.381 -11.337 1.00 1.00 C ATOM 1097 C PHE A 70 -4.807 -6.099 -10.479 1.00 1.00 C ATOM 1098 O PHE A 70 -5.891 -5.889 -10.986 1.00 1.00 O ATOM 1099 CB PHE A 70 -3.727 -5.754 -12.724 1.00 1.00 C ATOM 1100 CG PHE A 70 -5.154 -5.300 -12.915 1.00 1.00 C ATOM 1101 CD1 PHE A 70 -5.693 -4.317 -12.077 1.00 1.00 C ATOM 1102 CD2 PHE A 70 -5.937 -5.861 -13.931 1.00 1.00 C ATOM 1103 CE1 PHE A 70 -7.016 -3.894 -12.255 1.00 1.00 C ATOM 1104 CE2 PHE A 70 -7.260 -5.438 -14.109 1.00 1.00 C ATOM 1105 CZ PHE A 70 -7.800 -4.455 -13.271 1.00 1.00 C ATOM 0 H PHE A 70 -4.088 -8.222 -12.286 1.00 1.00 H new ATOM 0 HA PHE A 70 -2.712 -5.977 -10.803 1.00 1.00 H new ATOM 0 HB2 PHE A 70 -3.048 -4.908 -12.830 1.00 1.00 H new ATOM 0 HB3 PHE A 70 -3.458 -6.477 -13.494 1.00 1.00 H new ATOM 0 HD1 PHE A 70 -5.089 -3.885 -11.293 1.00 1.00 H new ATOM 0 HD2 PHE A 70 -5.521 -6.620 -14.577 1.00 1.00 H new ATOM 0 HE1 PHE A 70 -7.432 -3.135 -11.609 1.00 1.00 H new ATOM 0 HE2 PHE A 70 -7.864 -5.870 -14.893 1.00 1.00 H new ATOM 0 HZ PHE A 70 -8.821 -4.129 -13.408 1.00 1.00 H new ATOM 1115 N GLY A 71 -4.655 -6.095 -9.183 1.00 1.00 N ATOM 1116 CA GLY A 71 -5.827 -5.830 -8.303 1.00 1.00 C ATOM 1117 C GLY A 71 -6.484 -7.155 -7.913 1.00 1.00 C ATOM 1118 O GLY A 71 -7.657 -7.207 -7.591 1.00 1.00 O ATOM 0 H GLY A 71 -3.774 -6.263 -8.698 1.00 1.00 H new ATOM 0 HA2 GLY A 71 -5.510 -5.293 -7.409 1.00 1.00 H new ATOM 0 HA3 GLY A 71 -6.546 -5.194 -8.819 1.00 1.00 H new ATOM 1122 N LYS A 72 -5.741 -8.228 -7.935 1.00 1.00 N ATOM 1123 CA LYS A 72 -6.336 -9.546 -7.571 1.00 1.00 C ATOM 1124 C LYS A 72 -6.592 -9.590 -6.069 1.00 1.00 C ATOM 1125 O LYS A 72 -7.310 -10.435 -5.573 1.00 1.00 O ATOM 1126 CB LYS A 72 -5.284 -10.582 -7.966 1.00 1.00 C ATOM 1127 CG LYS A 72 -5.098 -11.581 -6.820 1.00 1.00 C ATOM 1128 CD LYS A 72 -4.550 -10.855 -5.589 1.00 1.00 C ATOM 1129 CE LYS A 72 -3.417 -9.917 -6.012 1.00 1.00 C ATOM 1130 NZ LYS A 72 -2.409 -10.801 -6.661 1.00 1.00 N ATOM 0 H LYS A 72 -4.753 -8.250 -8.188 1.00 1.00 H new ATOM 0 HA LYS A 72 -7.287 -9.729 -8.071 1.00 1.00 H new ATOM 0 HB2 LYS A 72 -5.594 -11.104 -8.871 1.00 1.00 H new ATOM 0 HB3 LYS A 72 -4.338 -10.089 -8.190 1.00 1.00 H new ATOM 0 HG2 LYS A 72 -6.049 -12.056 -6.581 1.00 1.00 H new ATOM 0 HG3 LYS A 72 -4.413 -12.373 -7.122 1.00 1.00 H new ATOM 0 HD2 LYS A 72 -5.345 -10.287 -5.105 1.00 1.00 H new ATOM 0 HD3 LYS A 72 -4.185 -11.578 -4.860 1.00 1.00 H new ATOM 0 HE2 LYS A 72 -3.774 -9.152 -6.702 1.00 1.00 H new ATOM 0 HE3 LYS A 72 -2.992 -9.398 -5.153 1.00 1.00 H new ATOM 0 HZ1 LYS A 72 -1.453 -10.449 -6.452 1.00 1.00 H new ATOM 0 HZ2 LYS A 72 -2.510 -11.769 -6.295 1.00 1.00 H new ATOM 0 HZ3 LYS A 72 -2.560 -10.802 -7.690 1.00 1.00 H new ATOM 1143 N TYR A 73 -6.031 -8.666 -5.343 1.00 1.00 N ATOM 1144 CA TYR A 73 -6.266 -8.633 -3.878 1.00 1.00 C ATOM 1145 C TYR A 73 -7.621 -7.978 -3.611 1.00 1.00 C ATOM 1146 O TYR A 73 -8.247 -8.206 -2.595 1.00 1.00 O ATOM 1147 CB TYR A 73 -5.130 -7.782 -3.308 1.00 1.00 C ATOM 1148 CG TYR A 73 -4.003 -8.679 -2.858 1.00 1.00 C ATOM 1149 CD1 TYR A 73 -4.284 -9.862 -2.165 1.00 1.00 C ATOM 1150 CD2 TYR A 73 -2.676 -8.329 -3.137 1.00 1.00 C ATOM 1151 CE1 TYR A 73 -3.238 -10.694 -1.749 1.00 1.00 C ATOM 1152 CE2 TYR A 73 -1.630 -9.161 -2.721 1.00 1.00 C ATOM 1153 CZ TYR A 73 -1.912 -10.344 -2.026 1.00 1.00 C ATOM 1154 OH TYR A 73 -0.881 -11.165 -1.615 1.00 1.00 O ATOM 0 H TYR A 73 -5.420 -7.933 -5.702 1.00 1.00 H new ATOM 0 HA TYR A 73 -6.281 -9.624 -3.425 1.00 1.00 H new ATOM 0 HB2 TYR A 73 -4.772 -7.082 -4.063 1.00 1.00 H new ATOM 0 HB3 TYR A 73 -5.493 -7.188 -2.469 1.00 1.00 H new ATOM 0 HD1 TYR A 73 -5.307 -10.133 -1.951 1.00 1.00 H new ATOM 0 HD2 TYR A 73 -2.460 -7.417 -3.673 1.00 1.00 H new ATOM 0 HE1 TYR A 73 -3.455 -11.607 -1.214 1.00 1.00 H new ATOM 0 HE2 TYR A 73 -0.607 -8.891 -2.936 1.00 1.00 H new ATOM 0 HH TYR A 73 -0.024 -10.776 -1.889 1.00 1.00 H new ATOM 1164 N GLN A 74 -8.081 -7.166 -4.528 1.00 1.00 N ATOM 1165 CA GLN A 74 -9.398 -6.497 -4.340 1.00 1.00 C ATOM 1166 C GLN A 74 -10.506 -7.312 -5.011 1.00 1.00 C ATOM 1167 O GLN A 74 -11.557 -7.535 -4.443 1.00 1.00 O ATOM 1168 CB GLN A 74 -9.252 -5.133 -5.016 1.00 1.00 C ATOM 1169 CG GLN A 74 -7.908 -4.513 -4.634 1.00 1.00 C ATOM 1170 CD GLN A 74 -6.822 -5.590 -4.658 1.00 1.00 C ATOM 1171 OE1 GLN A 74 -6.457 -6.126 -3.631 1.00 1.00 O ATOM 1172 NE2 GLN A 74 -6.290 -5.935 -5.798 1.00 1.00 N ATOM 0 H GLN A 74 -7.600 -6.939 -5.398 1.00 1.00 H new ATOM 0 HA GLN A 74 -9.666 -6.403 -3.288 1.00 1.00 H new ATOM 0 HB2 GLN A 74 -9.319 -5.243 -6.098 1.00 1.00 H new ATOM 0 HB3 GLN A 74 -10.067 -4.476 -4.712 1.00 1.00 H new ATOM 0 HG2 GLN A 74 -7.655 -3.712 -5.328 1.00 1.00 H new ATOM 0 HG3 GLN A 74 -7.971 -4.067 -3.641 1.00 1.00 H new ATOM 0 HE21 GLN A 74 -6.596 -5.485 -6.661 1.00 1.00 H new ATOM 0 HE22 GLN A 74 -5.568 -6.655 -5.827 1.00 1.00 H new ATOM 1181 N GLY A 75 -10.281 -7.757 -6.219 1.00 1.00 N ATOM 1182 CA GLY A 75 -11.326 -8.554 -6.923 1.00 1.00 C ATOM 1183 C GLY A 75 -12.463 -7.624 -7.346 1.00 1.00 C ATOM 1184 O GLY A 75 -12.702 -7.410 -8.518 1.00 1.00 O ATOM 0 H GLY A 75 -9.422 -7.603 -6.747 1.00 1.00 H new ATOM 0 HA2 GLY A 75 -10.899 -9.047 -7.796 1.00 1.00 H new ATOM 0 HA3 GLY A 75 -11.706 -9.338 -6.268 1.00 1.00 H new ATOM 1188 N THR A 76 -13.160 -7.064 -6.397 1.00 1.00 N ATOM 1189 CA THR A 76 -14.277 -6.138 -6.731 1.00 1.00 C ATOM 1190 C THR A 76 -14.075 -4.803 -6.010 1.00 1.00 C ATOM 1191 O THR A 76 -14.862 -4.415 -5.170 1.00 1.00 O ATOM 1192 CB THR A 76 -15.540 -6.837 -6.228 1.00 1.00 C ATOM 1193 OG1 THR A 76 -15.206 -7.690 -5.142 1.00 1.00 O ATOM 1194 CG2 THR A 76 -16.153 -7.665 -7.359 1.00 1.00 C ATOM 0 H THR A 76 -13.003 -7.209 -5.400 1.00 1.00 H new ATOM 0 HA THR A 76 -14.335 -5.922 -7.798 1.00 1.00 H new ATOM 0 HB THR A 76 -16.261 -6.090 -5.896 1.00 1.00 H new ATOM 0 HG1 THR A 76 -15.034 -7.150 -4.343 1.00 1.00 H new ATOM 0 HG21 THR A 76 -17.053 -8.163 -6.999 1.00 1.00 H new ATOM 0 HG22 THR A 76 -16.409 -7.010 -8.192 1.00 1.00 H new ATOM 0 HG23 THR A 76 -15.434 -8.413 -7.693 1.00 1.00 H new ATOM 1202 N TRP A 77 -13.020 -4.103 -6.325 1.00 1.00 N ATOM 1203 CA TRP A 77 -12.763 -2.799 -5.650 1.00 1.00 C ATOM 1204 C TRP A 77 -13.692 -1.713 -6.197 1.00 1.00 C ATOM 1205 O TRP A 77 -14.275 -1.849 -7.254 1.00 1.00 O ATOM 1206 CB TRP A 77 -11.304 -2.459 -5.965 1.00 1.00 C ATOM 1207 CG TRP A 77 -11.047 -2.641 -7.427 1.00 1.00 C ATOM 1208 CD1 TRP A 77 -11.878 -3.267 -8.292 1.00 1.00 C ATOM 1209 CD2 TRP A 77 -9.895 -2.207 -8.208 1.00 1.00 C ATOM 1210 NE1 TRP A 77 -11.311 -3.241 -9.554 1.00 1.00 N ATOM 1211 CE2 TRP A 77 -10.088 -2.600 -9.552 1.00 1.00 C ATOM 1212 CE3 TRP A 77 -8.714 -1.516 -7.881 1.00 1.00 C ATOM 1213 CZ2 TRP A 77 -9.143 -2.319 -10.540 1.00 1.00 C ATOM 1214 CZ3 TRP A 77 -7.760 -1.231 -8.872 1.00 1.00 C ATOM 1215 CH2 TRP A 77 -7.975 -1.631 -10.199 1.00 1.00 C ATOM 0 H TRP A 77 -12.325 -4.377 -7.020 1.00 1.00 H new ATOM 0 HA TRP A 77 -12.946 -2.859 -4.577 1.00 1.00 H new ATOM 0 HB2 TRP A 77 -11.089 -1.431 -5.674 1.00 1.00 H new ATOM 0 HB3 TRP A 77 -10.638 -3.100 -5.387 1.00 1.00 H new ATOM 0 HD1 TRP A 77 -12.828 -3.714 -8.039 1.00 1.00 H new ATOM 0 HE1 TRP A 77 -11.744 -3.646 -10.384 1.00 1.00 H new ATOM 0 HE3 TRP A 77 -8.540 -1.203 -6.862 1.00 1.00 H new ATOM 0 HZ2 TRP A 77 -9.313 -2.631 -11.560 1.00 1.00 H new ATOM 0 HZ3 TRP A 77 -6.856 -0.701 -8.611 1.00 1.00 H new ATOM 0 HH2 TRP A 77 -7.239 -1.408 -10.957 1.00 1.00 H new ATOM 1226 N VAL A 78 -13.825 -0.633 -5.481 1.00 1.00 N ATOM 1227 CA VAL A 78 -14.703 0.476 -5.947 1.00 1.00 C ATOM 1228 C VAL A 78 -14.048 1.818 -5.611 1.00 1.00 C ATOM 1229 O VAL A 78 -13.085 1.866 -4.871 1.00 1.00 O ATOM 1230 CB VAL A 78 -16.009 0.305 -5.170 1.00 1.00 C ATOM 1231 CG1 VAL A 78 -17.076 -0.289 -6.091 1.00 1.00 C ATOM 1232 CG2 VAL A 78 -15.777 -0.636 -3.986 1.00 1.00 C ATOM 0 H VAL A 78 -13.361 -0.469 -4.588 1.00 1.00 H new ATOM 0 HA VAL A 78 -14.872 0.455 -7.024 1.00 1.00 H new ATOM 0 HB VAL A 78 -16.344 1.275 -4.804 1.00 1.00 H new ATOM 0 HG11 VAL A 78 -18.007 -0.411 -5.538 1.00 1.00 H new ATOM 0 HG12 VAL A 78 -17.241 0.380 -6.936 1.00 1.00 H new ATOM 0 HG13 VAL A 78 -16.741 -1.260 -6.457 1.00 1.00 H new ATOM 0 HG21 VAL A 78 -16.707 -0.759 -3.431 1.00 1.00 H new ATOM 0 HG22 VAL A 78 -15.442 -1.606 -4.353 1.00 1.00 H new ATOM 0 HG23 VAL A 78 -15.016 -0.214 -3.330 1.00 1.00 H new ATOM 1242 N PRO A 79 -14.590 2.865 -6.162 1.00 1.00 N ATOM 1243 CA PRO A 79 -14.044 4.218 -5.905 1.00 1.00 C ATOM 1244 C PRO A 79 -14.026 4.489 -4.398 1.00 1.00 C ATOM 1245 O PRO A 79 -15.058 4.615 -3.771 1.00 1.00 O ATOM 1246 CB PRO A 79 -15.013 5.162 -6.620 1.00 1.00 C ATOM 1247 CG PRO A 79 -16.197 4.328 -7.007 1.00 1.00 C ATOM 1248 CD PRO A 79 -15.745 2.894 -7.058 1.00 1.00 C ATOM 0 HA PRO A 79 -13.021 4.341 -6.260 1.00 1.00 H new ATOM 0 HB2 PRO A 79 -15.311 5.982 -5.967 1.00 1.00 H new ATOM 0 HB3 PRO A 79 -14.546 5.607 -7.499 1.00 1.00 H new ATOM 0 HG2 PRO A 79 -17.004 4.450 -6.284 1.00 1.00 H new ATOM 0 HG3 PRO A 79 -16.586 4.642 -7.976 1.00 1.00 H new ATOM 0 HD2 PRO A 79 -16.529 2.215 -6.724 1.00 1.00 H new ATOM 0 HD3 PRO A 79 -15.474 2.595 -8.071 1.00 1.00 H new ATOM 1256 N LEU A 80 -12.864 4.571 -3.809 1.00 1.00 N ATOM 1257 CA LEU A 80 -12.791 4.825 -2.342 1.00 1.00 C ATOM 1258 C LEU A 80 -13.681 6.009 -1.959 1.00 1.00 C ATOM 1259 O LEU A 80 -14.241 6.049 -0.879 1.00 1.00 O ATOM 1260 CB LEU A 80 -11.321 5.149 -2.070 1.00 1.00 C ATOM 1261 CG LEU A 80 -11.028 6.590 -2.493 1.00 1.00 C ATOM 1262 CD1 LEU A 80 -11.611 6.843 -3.885 1.00 1.00 C ATOM 1263 CD2 LEU A 80 -11.666 7.555 -1.491 1.00 1.00 C ATOM 0 H LEU A 80 -11.964 4.473 -4.279 1.00 1.00 H new ATOM 0 HA LEU A 80 -13.137 3.971 -1.760 1.00 1.00 H new ATOM 0 HB2 LEU A 80 -11.099 5.018 -1.011 1.00 1.00 H new ATOM 0 HB3 LEU A 80 -10.678 4.460 -2.618 1.00 1.00 H new ATOM 0 HG LEU A 80 -9.950 6.749 -2.516 1.00 1.00 H new ATOM 0 HD11 LEU A 80 -11.402 7.870 -4.186 1.00 1.00 H new ATOM 0 HD12 LEU A 80 -11.158 6.156 -4.600 1.00 1.00 H new ATOM 0 HD13 LEU A 80 -12.689 6.684 -3.862 1.00 1.00 H new ATOM 0 HD21 LEU A 80 -11.458 8.582 -1.792 1.00 1.00 H new ATOM 0 HD22 LEU A 80 -12.744 7.395 -1.468 1.00 1.00 H new ATOM 0 HD23 LEU A 80 -11.251 7.376 -0.499 1.00 1.00 H new ATOM 1275 N ASN A 81 -13.831 6.965 -2.836 1.00 1.00 N ATOM 1276 CA ASN A 81 -14.699 8.136 -2.518 1.00 1.00 C ATOM 1277 C ASN A 81 -16.126 7.656 -2.250 1.00 1.00 C ATOM 1278 O ASN A 81 -16.866 8.256 -1.496 1.00 1.00 O ATOM 1279 CB ASN A 81 -14.652 9.017 -3.767 1.00 1.00 C ATOM 1280 CG ASN A 81 -15.187 10.410 -3.431 1.00 1.00 C ATOM 1281 OD1 ASN A 81 -14.456 11.380 -3.473 1.00 1.00 O ATOM 1282 ND2 ASN A 81 -16.440 10.551 -3.096 1.00 1.00 N ATOM 0 H ASN A 81 -13.392 6.986 -3.756 1.00 1.00 H new ATOM 0 HA ASN A 81 -14.367 8.678 -1.632 1.00 1.00 H new ATOM 0 HB2 ASN A 81 -13.629 9.088 -4.136 1.00 1.00 H new ATOM 0 HB3 ASN A 81 -15.247 8.570 -4.563 1.00 1.00 H new ATOM 0 HD21 ASN A 81 -16.806 11.476 -2.869 1.00 1.00 H new ATOM 0 HD22 ASN A 81 -17.053 9.737 -3.061 1.00 1.00 H new ATOM 1289 N ILE A 82 -16.505 6.567 -2.856 1.00 1.00 N ATOM 1290 CA ILE A 82 -17.873 6.023 -2.636 1.00 1.00 C ATOM 1291 C ILE A 82 -17.770 4.677 -1.918 1.00 1.00 C ATOM 1292 O ILE A 82 -18.648 4.284 -1.174 1.00 1.00 O ATOM 1293 CB ILE A 82 -18.464 5.847 -4.035 1.00 1.00 C ATOM 1294 CG1 ILE A 82 -19.758 6.658 -4.146 1.00 1.00 C ATOM 1295 CG2 ILE A 82 -18.770 4.367 -4.277 1.00 1.00 C ATOM 1296 CD1 ILE A 82 -19.671 7.594 -5.352 1.00 1.00 C ATOM 0 H ILE A 82 -15.923 6.028 -3.497 1.00 1.00 H new ATOM 0 HA ILE A 82 -18.494 6.675 -2.022 1.00 1.00 H new ATOM 0 HB ILE A 82 -17.748 6.197 -4.779 1.00 1.00 H new ATOM 0 HG12 ILE A 82 -20.611 5.988 -4.253 1.00 1.00 H new ATOM 0 HG13 ILE A 82 -19.917 7.235 -3.235 1.00 1.00 H new ATOM 0 HG21 ILE A 82 -19.191 4.241 -5.274 1.00 1.00 H new ATOM 0 HG22 ILE A 82 -17.851 3.787 -4.196 1.00 1.00 H new ATOM 0 HG23 ILE A 82 -19.486 4.017 -3.534 1.00 1.00 H new ATOM 0 HD11 ILE A 82 -20.592 8.172 -5.431 1.00 1.00 H new ATOM 0 HD12 ILE A 82 -18.827 8.272 -5.226 1.00 1.00 H new ATOM 0 HD13 ILE A 82 -19.532 7.006 -6.259 1.00 1.00 H new ATOM 1308 N ALA A 83 -16.691 3.972 -2.131 1.00 1.00 N ATOM 1309 CA ALA A 83 -16.517 2.656 -1.457 1.00 1.00 C ATOM 1310 C ALA A 83 -16.449 2.858 0.057 1.00 1.00 C ATOM 1311 O ALA A 83 -17.242 2.313 0.800 1.00 1.00 O ATOM 1312 CB ALA A 83 -15.193 2.108 -1.989 1.00 1.00 C ATOM 0 H ALA A 83 -15.924 4.252 -2.742 1.00 1.00 H new ATOM 0 HA ALA A 83 -17.343 1.972 -1.654 1.00 1.00 H new ATOM 0 HB1 ALA A 83 -14.994 1.136 -1.537 1.00 1.00 H new ATOM 0 HB2 ALA A 83 -15.253 1.999 -3.072 1.00 1.00 H new ATOM 0 HB3 ALA A 83 -14.387 2.797 -1.738 1.00 1.00 H new ATOM 1318 N LYS A 84 -15.510 3.637 0.524 1.00 1.00 N ATOM 1319 CA LYS A 84 -15.403 3.866 1.992 1.00 1.00 C ATOM 1320 C LYS A 84 -16.692 4.503 2.518 1.00 1.00 C ATOM 1321 O LYS A 84 -17.096 4.273 3.641 1.00 1.00 O ATOM 1322 CB LYS A 84 -14.222 4.824 2.159 1.00 1.00 C ATOM 1323 CG LYS A 84 -14.667 6.053 2.956 1.00 1.00 C ATOM 1324 CD LYS A 84 -13.439 6.864 3.370 1.00 1.00 C ATOM 1325 CE LYS A 84 -13.773 8.357 3.323 1.00 1.00 C ATOM 1326 NZ LYS A 84 -15.207 8.418 2.928 1.00 1.00 N ATOM 0 H LYS A 84 -14.816 4.122 -0.045 1.00 1.00 H new ATOM 0 HA LYS A 84 -15.255 2.940 2.547 1.00 1.00 H new ATOM 0 HB2 LYS A 84 -13.403 4.321 2.673 1.00 1.00 H new ATOM 0 HB3 LYS A 84 -13.846 5.128 1.182 1.00 1.00 H new ATOM 0 HG2 LYS A 84 -15.336 6.668 2.354 1.00 1.00 H new ATOM 0 HG3 LYS A 84 -15.227 5.744 3.839 1.00 1.00 H new ATOM 0 HD2 LYS A 84 -13.126 6.582 4.375 1.00 1.00 H new ATOM 0 HD3 LYS A 84 -12.605 6.646 2.703 1.00 1.00 H new ATOM 0 HE2 LYS A 84 -13.610 8.829 4.292 1.00 1.00 H new ATOM 0 HE3 LYS A 84 -13.143 8.880 2.604 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 -15.533 9.405 2.956 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 -15.318 8.044 1.964 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 -15.773 7.847 3.588 1.00 1.00 H new ATOM 1339 N GLN A 85 -17.344 5.298 1.715 1.00 1.00 N ATOM 1340 CA GLN A 85 -18.607 5.939 2.173 1.00 1.00 C ATOM 1341 C GLN A 85 -19.698 4.879 2.333 1.00 1.00 C ATOM 1342 O GLN A 85 -20.617 5.029 3.113 1.00 1.00 O ATOM 1343 CB GLN A 85 -18.975 6.932 1.070 1.00 1.00 C ATOM 1344 CG GLN A 85 -20.481 7.199 1.102 1.00 1.00 C ATOM 1345 CD GLN A 85 -21.038 7.154 -0.322 1.00 1.00 C ATOM 1346 OE1 GLN A 85 -22.013 6.478 -0.585 1.00 1.00 O ATOM 1347 NE2 GLN A 85 -20.457 7.852 -1.259 1.00 1.00 N ATOM 0 H GLN A 85 -17.057 5.531 0.764 1.00 1.00 H new ATOM 0 HA GLN A 85 -18.497 6.434 3.138 1.00 1.00 H new ATOM 0 HB2 GLN A 85 -18.427 7.864 1.208 1.00 1.00 H new ATOM 0 HB3 GLN A 85 -18.687 6.534 0.097 1.00 1.00 H new ATOM 0 HG2 GLN A 85 -20.980 6.455 1.723 1.00 1.00 H new ATOM 0 HG3 GLN A 85 -20.679 8.172 1.551 1.00 1.00 H new ATOM 0 HE21 GLN A 85 -19.639 8.420 -1.039 1.00 1.00 H new ATOM 0 HE22 GLN A 85 -20.821 7.830 -2.211 1.00 1.00 H new ATOM 1356 N LEU A 86 -19.594 3.800 1.606 1.00 1.00 N ATOM 1357 CA LEU A 86 -20.615 2.722 1.725 1.00 1.00 C ATOM 1358 C LEU A 86 -20.231 1.772 2.860 1.00 1.00 C ATOM 1359 O LEU A 86 -21.063 1.347 3.638 1.00 1.00 O ATOM 1360 CB LEU A 86 -20.589 1.997 0.383 1.00 1.00 C ATOM 1361 CG LEU A 86 -21.941 1.325 0.140 1.00 1.00 C ATOM 1362 CD1 LEU A 86 -22.959 2.373 -0.311 1.00 1.00 C ATOM 1363 CD2 LEU A 86 -21.791 0.261 -0.950 1.00 1.00 C ATOM 0 H LEU A 86 -18.847 3.619 0.936 1.00 1.00 H new ATOM 0 HA LEU A 86 -21.608 3.110 1.951 1.00 1.00 H new ATOM 0 HB2 LEU A 86 -20.372 2.702 -0.419 1.00 1.00 H new ATOM 0 HB3 LEU A 86 -19.794 1.252 0.376 1.00 1.00 H new ATOM 0 HG LEU A 86 -22.285 0.858 1.063 1.00 1.00 H new ATOM 0 HD11 LEU A 86 -23.922 1.894 -0.484 1.00 1.00 H new ATOM 0 HD12 LEU A 86 -23.066 3.133 0.463 1.00 1.00 H new ATOM 0 HD13 LEU A 86 -22.615 2.840 -1.234 1.00 1.00 H new ATOM 0 HD21 LEU A 86 -22.754 -0.219 -1.125 1.00 1.00 H new ATOM 0 HD22 LEU A 86 -21.447 0.730 -1.872 1.00 1.00 H new ATOM 0 HD23 LEU A 86 -21.065 -0.487 -0.631 1.00 1.00 H new ATOM 1375 N ALA A 87 -18.973 1.438 2.962 1.00 1.00 N ATOM 1376 CA ALA A 87 -18.532 0.518 4.048 1.00 1.00 C ATOM 1377 C ALA A 87 -18.230 1.312 5.322 1.00 1.00 C ATOM 1378 O ALA A 87 -18.829 1.096 6.356 1.00 1.00 O ATOM 1379 CB ALA A 87 -17.259 -0.145 3.518 1.00 1.00 C ATOM 0 H ALA A 87 -18.232 1.763 2.340 1.00 1.00 H new ATOM 0 HA ALA A 87 -19.297 -0.215 4.302 1.00 1.00 H new ATOM 0 HB1 ALA A 87 -16.873 -0.839 4.264 1.00 1.00 H new ATOM 0 HB2 ALA A 87 -17.486 -0.688 2.601 1.00 1.00 H new ATOM 0 HB3 ALA A 87 -16.510 0.619 3.311 1.00 1.00 H new ATOM 1385 N GLU A 88 -17.300 2.228 5.259 1.00 1.00 N ATOM 1386 CA GLU A 88 -16.957 3.029 6.462 1.00 1.00 C ATOM 1387 C GLU A 88 -18.196 3.260 7.326 1.00 1.00 C ATOM 1388 O GLU A 88 -18.101 3.480 8.517 1.00 1.00 O ATOM 1389 CB GLU A 88 -16.427 4.348 5.911 1.00 1.00 C ATOM 1390 CG GLU A 88 -17.485 5.440 6.082 1.00 1.00 C ATOM 1391 CD GLU A 88 -16.813 6.813 6.025 1.00 1.00 C ATOM 1392 OE1 GLU A 88 -15.789 6.977 6.668 1.00 1.00 O ATOM 1393 OE2 GLU A 88 -17.334 7.678 5.340 1.00 1.00 O ATOM 0 H GLU A 88 -16.763 2.454 4.421 1.00 1.00 H new ATOM 0 HA GLU A 88 -16.228 2.528 7.099 1.00 1.00 H new ATOM 0 HB2 GLU A 88 -15.512 4.630 6.432 1.00 1.00 H new ATOM 0 HB3 GLU A 88 -16.172 4.237 4.857 1.00 1.00 H new ATOM 0 HG2 GLU A 88 -18.237 5.358 5.298 1.00 1.00 H new ATOM 0 HG3 GLU A 88 -18.002 5.315 7.034 1.00 1.00 H new ATOM 1400 N LYS A 89 -19.363 3.193 6.745 1.00 1.00 N ATOM 1401 CA LYS A 89 -20.601 3.389 7.547 1.00 1.00 C ATOM 1402 C LYS A 89 -20.800 2.200 8.487 1.00 1.00 C ATOM 1403 O LYS A 89 -20.221 2.129 9.552 1.00 1.00 O ATOM 1404 CB LYS A 89 -21.733 3.460 6.520 1.00 1.00 C ATOM 1405 CG LYS A 89 -22.838 4.381 7.042 1.00 1.00 C ATOM 1406 CD LYS A 89 -23.054 5.530 6.056 1.00 1.00 C ATOM 1407 CE LYS A 89 -24.180 6.434 6.563 1.00 1.00 C ATOM 1408 NZ LYS A 89 -25.419 5.887 5.943 1.00 1.00 N ATOM 0 H LYS A 89 -19.511 3.011 5.752 1.00 1.00 H new ATOM 0 HA LYS A 89 -20.561 4.286 8.165 1.00 1.00 H new ATOM 0 HB2 LYS A 89 -21.353 3.833 5.569 1.00 1.00 H new ATOM 0 HB3 LYS A 89 -22.133 2.463 6.334 1.00 1.00 H new ATOM 0 HG2 LYS A 89 -23.763 3.819 7.171 1.00 1.00 H new ATOM 0 HG3 LYS A 89 -22.565 4.775 8.021 1.00 1.00 H new ATOM 0 HD2 LYS A 89 -22.135 6.105 5.944 1.00 1.00 H new ATOM 0 HD3 LYS A 89 -23.305 5.136 5.071 1.00 1.00 H new ATOM 0 HE2 LYS A 89 -24.242 6.416 7.651 1.00 1.00 H new ATOM 0 HE3 LYS A 89 -24.016 7.471 6.270 1.00 1.00 H new ATOM 0 HZ1 LYS A 89 -26.237 6.455 6.243 1.00 1.00 H new ATOM 0 HZ2 LYS A 89 -25.334 5.923 4.907 1.00 1.00 H new ATOM 0 HZ3 LYS A 89 -25.552 4.901 6.245 1.00 1.00 H new ATOM 1421 N PHE A 90 -21.614 1.259 8.092 1.00 1.00 N ATOM 1422 CA PHE A 90 -21.852 0.062 8.949 1.00 1.00 C ATOM 1423 C PHE A 90 -21.210 -1.176 8.314 1.00 1.00 C ATOM 1424 O PHE A 90 -21.327 -2.275 8.819 1.00 1.00 O ATOM 1425 CB PHE A 90 -23.372 -0.088 9.005 1.00 1.00 C ATOM 1426 CG PHE A 90 -23.926 -0.134 7.600 1.00 1.00 C ATOM 1427 CD1 PHE A 90 -23.790 -1.296 6.832 1.00 1.00 C ATOM 1428 CD2 PHE A 90 -24.574 0.987 7.067 1.00 1.00 C ATOM 1429 CE1 PHE A 90 -24.302 -1.336 5.529 1.00 1.00 C ATOM 1430 CE2 PHE A 90 -25.086 0.946 5.765 1.00 1.00 C ATOM 1431 CZ PHE A 90 -24.950 -0.217 4.997 1.00 1.00 C ATOM 0 H PHE A 90 -22.126 1.268 7.210 1.00 1.00 H new ATOM 0 HA PHE A 90 -21.418 0.170 9.943 1.00 1.00 H new ATOM 0 HB2 PHE A 90 -23.639 -0.998 9.542 1.00 1.00 H new ATOM 0 HB3 PHE A 90 -23.810 0.746 9.553 1.00 1.00 H new ATOM 0 HD1 PHE A 90 -23.291 -2.161 7.244 1.00 1.00 H new ATOM 0 HD2 PHE A 90 -24.679 1.883 7.661 1.00 1.00 H new ATOM 0 HE1 PHE A 90 -24.196 -2.232 4.935 1.00 1.00 H new ATOM 0 HE2 PHE A 90 -25.585 1.810 5.353 1.00 1.00 H new ATOM 0 HZ PHE A 90 -25.346 -0.250 3.993 1.00 1.00 H new ATOM 1441 N SER A 91 -20.540 -1.005 7.208 1.00 1.00 N ATOM 1442 CA SER A 91 -19.898 -2.169 6.535 1.00 1.00 C ATOM 1443 C SER A 91 -18.686 -2.654 7.336 1.00 1.00 C ATOM 1444 O SER A 91 -18.766 -3.606 8.086 1.00 1.00 O ATOM 1445 CB SER A 91 -19.461 -1.645 5.169 1.00 1.00 C ATOM 1446 OG SER A 91 -18.936 -2.719 4.399 1.00 1.00 O ATOM 0 H SER A 91 -20.409 -0.108 6.740 1.00 1.00 H new ATOM 0 HA SER A 91 -20.577 -3.017 6.451 1.00 1.00 H new ATOM 0 HB2 SER A 91 -20.307 -1.192 4.653 1.00 1.00 H new ATOM 0 HB3 SER A 91 -18.708 -0.867 5.289 1.00 1.00 H new ATOM 0 HG SER A 91 -19.471 -2.830 3.585 1.00 1.00 H new ATOM 1452 N VAL A 92 -17.564 -2.002 7.187 1.00 1.00 N ATOM 1453 CA VAL A 92 -16.350 -2.423 7.943 1.00 1.00 C ATOM 1454 C VAL A 92 -15.882 -1.284 8.853 1.00 1.00 C ATOM 1455 O VAL A 92 -14.806 -1.325 9.417 1.00 1.00 O ATOM 1456 CB VAL A 92 -15.301 -2.727 6.873 1.00 1.00 C ATOM 1457 CG1 VAL A 92 -14.107 -3.437 7.515 1.00 1.00 C ATOM 1458 CG2 VAL A 92 -15.915 -3.632 5.804 1.00 1.00 C ATOM 0 H VAL A 92 -17.436 -1.196 6.575 1.00 1.00 H new ATOM 0 HA VAL A 92 -16.535 -3.286 8.582 1.00 1.00 H new ATOM 0 HB VAL A 92 -14.967 -1.796 6.416 1.00 1.00 H new ATOM 0 HG11 VAL A 92 -13.359 -3.654 6.752 1.00 1.00 H new ATOM 0 HG12 VAL A 92 -13.670 -2.795 8.280 1.00 1.00 H new ATOM 0 HG13 VAL A 92 -14.440 -4.369 7.971 1.00 1.00 H new ATOM 0 HG21 VAL A 92 -15.169 -3.850 5.040 1.00 1.00 H new ATOM 0 HG22 VAL A 92 -16.248 -4.563 6.263 1.00 1.00 H new ATOM 0 HG23 VAL A 92 -16.767 -3.129 5.346 1.00 1.00 H new ATOM 1468 N TYR A 93 -16.688 -0.269 9.002 1.00 1.00 N ATOM 1469 CA TYR A 93 -16.303 0.877 9.876 1.00 1.00 C ATOM 1470 C TYR A 93 -15.386 0.398 11.004 1.00 1.00 C ATOM 1471 O TYR A 93 -14.568 1.140 11.509 1.00 1.00 O ATOM 1472 CB TYR A 93 -17.622 1.400 10.445 1.00 1.00 C ATOM 1473 CG TYR A 93 -17.689 1.095 11.923 1.00 1.00 C ATOM 1474 CD1 TYR A 93 -16.811 1.732 12.809 1.00 1.00 C ATOM 1475 CD2 TYR A 93 -18.627 0.175 12.406 1.00 1.00 C ATOM 1476 CE1 TYR A 93 -16.873 1.448 14.178 1.00 1.00 C ATOM 1477 CE2 TYR A 93 -18.688 -0.108 13.775 1.00 1.00 C ATOM 1478 CZ TYR A 93 -17.811 0.528 14.662 1.00 1.00 C ATOM 1479 OH TYR A 93 -17.870 0.248 16.012 1.00 1.00 O ATOM 0 H TYR A 93 -17.601 -0.183 8.555 1.00 1.00 H new ATOM 0 HA TYR A 93 -15.759 1.648 9.330 1.00 1.00 H new ATOM 0 HB2 TYR A 93 -17.701 2.475 10.281 1.00 1.00 H new ATOM 0 HB3 TYR A 93 -18.462 0.936 9.929 1.00 1.00 H new ATOM 0 HD1 TYR A 93 -16.087 2.441 12.436 1.00 1.00 H new ATOM 0 HD2 TYR A 93 -19.303 -0.316 11.722 1.00 1.00 H new ATOM 0 HE1 TYR A 93 -16.197 1.939 14.862 1.00 1.00 H new ATOM 0 HE2 TYR A 93 -19.412 -0.817 14.148 1.00 1.00 H new ATOM 0 HH TYR A 93 -17.437 -0.613 16.187 1.00 1.00 H new ATOM 1489 N ASP A 94 -15.512 -0.838 11.399 1.00 1.00 N ATOM 1490 CA ASP A 94 -14.642 -1.365 12.489 1.00 1.00 C ATOM 1491 C ASP A 94 -13.371 -1.981 11.896 1.00 1.00 C ATOM 1492 O ASP A 94 -12.268 -1.557 12.184 1.00 1.00 O ATOM 1493 CB ASP A 94 -15.483 -2.434 13.186 1.00 1.00 C ATOM 1494 CG ASP A 94 -15.380 -2.257 14.702 1.00 1.00 C ATOM 1495 OD1 ASP A 94 -14.266 -2.214 15.199 1.00 1.00 O ATOM 1496 OD2 ASP A 94 -16.415 -2.167 15.340 1.00 1.00 O ATOM 0 H ASP A 94 -16.180 -1.507 11.015 1.00 1.00 H new ATOM 0 HA ASP A 94 -14.325 -0.584 13.180 1.00 1.00 H new ATOM 0 HB2 ASP A 94 -16.523 -2.356 12.870 1.00 1.00 H new ATOM 0 HB3 ASP A 94 -15.137 -3.427 12.901 1.00 1.00 H new ATOM 1501 N GLN A 95 -13.518 -2.981 11.070 1.00 1.00 N ATOM 1502 CA GLN A 95 -12.323 -3.628 10.459 1.00 1.00 C ATOM 1503 C GLN A 95 -11.528 -2.611 9.636 1.00 1.00 C ATOM 1504 O GLN A 95 -10.325 -2.714 9.502 1.00 1.00 O ATOM 1505 CB GLN A 95 -12.886 -4.725 9.555 1.00 1.00 C ATOM 1506 CG GLN A 95 -12.382 -6.088 10.032 1.00 1.00 C ATOM 1507 CD GLN A 95 -12.884 -7.179 9.085 1.00 1.00 C ATOM 1508 OE1 GLN A 95 -12.173 -8.117 8.788 1.00 1.00 O ATOM 1509 NE2 GLN A 95 -14.092 -7.095 8.595 1.00 1.00 N ATOM 0 H GLN A 95 -14.415 -3.378 10.792 1.00 1.00 H new ATOM 0 HA GLN A 95 -11.642 -4.027 11.211 1.00 1.00 H new ATOM 0 HB2 GLN A 95 -13.976 -4.702 9.573 1.00 1.00 H new ATOM 0 HB3 GLN A 95 -12.580 -4.553 8.523 1.00 1.00 H new ATOM 0 HG2 GLN A 95 -11.293 -6.093 10.065 1.00 1.00 H new ATOM 0 HG3 GLN A 95 -12.732 -6.282 11.046 1.00 1.00 H new ATOM 0 HE21 GLN A 95 -14.690 -6.307 8.844 1.00 1.00 H new ATOM 0 HE22 GLN A 95 -14.437 -7.817 7.963 1.00 1.00 H new ATOM 1518 N LEU A 96 -12.188 -1.630 9.084 1.00 1.00 N ATOM 1519 CA LEU A 96 -11.461 -0.615 8.271 1.00 1.00 C ATOM 1520 C LEU A 96 -10.797 0.419 9.182 1.00 1.00 C ATOM 1521 O LEU A 96 -10.539 1.535 8.779 1.00 1.00 O ATOM 1522 CB LEU A 96 -12.532 0.052 7.406 1.00 1.00 C ATOM 1523 CG LEU A 96 -13.673 -0.931 7.146 1.00 1.00 C ATOM 1524 CD1 LEU A 96 -14.962 -0.155 6.872 1.00 1.00 C ATOM 1525 CD2 LEU A 96 -13.329 -1.795 5.928 1.00 1.00 C ATOM 0 H LEU A 96 -13.195 -1.488 9.160 1.00 1.00 H new ATOM 0 HA LEU A 96 -10.672 -1.066 7.669 1.00 1.00 H new ATOM 0 HB2 LEU A 96 -12.914 0.942 7.906 1.00 1.00 H new ATOM 0 HB3 LEU A 96 -12.098 0.378 6.461 1.00 1.00 H new ATOM 0 HG LEU A 96 -13.812 -1.568 8.019 1.00 1.00 H new ATOM 0 HD11 LEU A 96 -15.776 -0.856 6.686 1.00 1.00 H new ATOM 0 HD12 LEU A 96 -15.205 0.463 7.736 1.00 1.00 H new ATOM 0 HD13 LEU A 96 -14.825 0.481 5.998 1.00 1.00 H new ATOM 0 HD21 LEU A 96 -14.141 -2.498 5.739 1.00 1.00 H new ATOM 0 HD22 LEU A 96 -13.192 -1.156 5.056 1.00 1.00 H new ATOM 0 HD23 LEU A 96 -12.409 -2.347 6.121 1.00 1.00 H new ATOM 1537 N LYS A 97 -10.508 0.062 10.404 1.00 1.00 N ATOM 1538 CA LYS A 97 -9.850 1.036 11.321 1.00 1.00 C ATOM 1539 C LYS A 97 -8.426 1.312 10.837 1.00 1.00 C ATOM 1540 O LYS A 97 -8.025 2.451 10.697 1.00 1.00 O ATOM 1541 CB LYS A 97 -9.833 0.349 12.687 1.00 1.00 C ATOM 1542 CG LYS A 97 -9.564 1.387 13.778 1.00 1.00 C ATOM 1543 CD LYS A 97 -9.577 0.706 15.148 1.00 1.00 C ATOM 1544 CE LYS A 97 -10.171 -0.699 15.015 1.00 1.00 C ATOM 1545 NZ LYS A 97 -9.164 -1.602 15.638 1.00 1.00 N ATOM 0 H LYS A 97 -10.698 -0.856 10.805 1.00 1.00 H new ATOM 0 HA LYS A 97 -10.370 1.993 11.361 1.00 1.00 H new ATOM 0 HB2 LYS A 97 -10.787 -0.146 12.869 1.00 1.00 H new ATOM 0 HB3 LYS A 97 -9.064 -0.423 12.708 1.00 1.00 H new ATOM 0 HG2 LYS A 97 -8.600 1.867 13.608 1.00 1.00 H new ATOM 0 HG3 LYS A 97 -10.321 2.171 13.743 1.00 1.00 H new ATOM 0 HD2 LYS A 97 -8.564 0.648 15.546 1.00 1.00 H new ATOM 0 HD3 LYS A 97 -10.164 1.295 15.853 1.00 1.00 H new ATOM 0 HE2 LYS A 97 -11.133 -0.771 15.522 1.00 1.00 H new ATOM 0 HE3 LYS A 97 -10.341 -0.959 13.970 1.00 1.00 H new ATOM 0 HZ1 LYS A 97 -9.500 -2.585 15.586 1.00 1.00 H new ATOM 0 HZ2 LYS A 97 -8.260 -1.517 15.130 1.00 1.00 H new ATOM 0 HZ3 LYS A 97 -9.028 -1.335 16.634 1.00 1.00 H new ATOM 1558 N PRO A 98 -7.711 0.249 10.589 1.00 1.00 N ATOM 1559 CA PRO A 98 -6.315 0.367 10.103 1.00 1.00 C ATOM 1560 C PRO A 98 -6.303 0.934 8.681 1.00 1.00 C ATOM 1561 O PRO A 98 -5.533 1.819 8.362 1.00 1.00 O ATOM 1562 CB PRO A 98 -5.795 -1.069 10.118 1.00 1.00 C ATOM 1563 CG PRO A 98 -7.016 -1.936 10.109 1.00 1.00 C ATOM 1564 CD PRO A 98 -8.133 -1.146 10.737 1.00 1.00 C ATOM 0 HA PRO A 98 -5.705 1.035 10.711 1.00 1.00 H new ATOM 0 HB2 PRO A 98 -5.166 -1.268 9.250 1.00 1.00 H new ATOM 0 HB3 PRO A 98 -5.187 -1.257 11.003 1.00 1.00 H new ATOM 0 HG2 PRO A 98 -7.275 -2.224 9.090 1.00 1.00 H new ATOM 0 HG3 PRO A 98 -6.837 -2.857 10.665 1.00 1.00 H new ATOM 0 HD2 PRO A 98 -9.083 -1.331 10.235 1.00 1.00 H new ATOM 0 HD3 PRO A 98 -8.269 -1.412 11.785 1.00 1.00 H new ATOM 1572 N LEU A 99 -7.155 0.436 7.827 1.00 1.00 N ATOM 1573 CA LEU A 99 -7.196 0.953 6.430 1.00 1.00 C ATOM 1574 C LEU A 99 -7.482 2.455 6.442 1.00 1.00 C ATOM 1575 O LEU A 99 -6.990 3.198 5.618 1.00 1.00 O ATOM 1576 CB LEU A 99 -8.338 0.192 5.755 1.00 1.00 C ATOM 1577 CG LEU A 99 -8.642 0.826 4.397 1.00 1.00 C ATOM 1578 CD1 LEU A 99 -7.348 0.954 3.592 1.00 1.00 C ATOM 1579 CD2 LEU A 99 -9.632 -0.058 3.634 1.00 1.00 C ATOM 0 H LEU A 99 -7.824 -0.305 8.036 1.00 1.00 H new ATOM 0 HA LEU A 99 -6.252 0.809 5.905 1.00 1.00 H new ATOM 0 HB2 LEU A 99 -8.065 -0.855 5.626 1.00 1.00 H new ATOM 0 HB3 LEU A 99 -9.227 0.214 6.386 1.00 1.00 H new ATOM 0 HG LEU A 99 -9.076 1.815 4.546 1.00 1.00 H new ATOM 0 HD11 LEU A 99 -7.565 1.406 2.624 1.00 1.00 H new ATOM 0 HD12 LEU A 99 -6.642 1.582 4.136 1.00 1.00 H new ATOM 0 HD13 LEU A 99 -6.914 -0.034 3.442 1.00 1.00 H new ATOM 0 HD21 LEU A 99 -9.850 0.392 2.666 1.00 1.00 H new ATOM 0 HD22 LEU A 99 -9.197 -1.046 3.485 1.00 1.00 H new ATOM 0 HD23 LEU A 99 -10.554 -0.150 4.207 1.00 1.00 H new ATOM 1591 N PHE A 100 -8.267 2.906 7.382 1.00 1.00 N ATOM 1592 CA PHE A 100 -8.578 4.362 7.457 1.00 1.00 C ATOM 1593 C PHE A 100 -7.454 5.095 8.196 1.00 1.00 C ATOM 1594 O PHE A 100 -7.275 6.288 8.050 1.00 1.00 O ATOM 1595 CB PHE A 100 -9.885 4.450 8.245 1.00 1.00 C ATOM 1596 CG PHE A 100 -11.040 4.058 7.355 1.00 1.00 C ATOM 1597 CD1 PHE A 100 -10.795 3.524 6.084 1.00 1.00 C ATOM 1598 CD2 PHE A 100 -12.356 4.228 7.801 1.00 1.00 C ATOM 1599 CE1 PHE A 100 -11.866 3.162 5.259 1.00 1.00 C ATOM 1600 CE2 PHE A 100 -13.427 3.865 6.976 1.00 1.00 C ATOM 1601 CZ PHE A 100 -13.182 3.331 5.705 1.00 1.00 C ATOM 0 H PHE A 100 -8.706 2.330 8.100 1.00 1.00 H new ATOM 0 HA PHE A 100 -8.669 4.820 6.472 1.00 1.00 H new ATOM 0 HB2 PHE A 100 -9.843 3.793 9.114 1.00 1.00 H new ATOM 0 HB3 PHE A 100 -10.029 5.464 8.619 1.00 1.00 H new ATOM 0 HD1 PHE A 100 -9.780 3.391 5.740 1.00 1.00 H new ATOM 0 HD2 PHE A 100 -12.545 4.639 8.782 1.00 1.00 H new ATOM 0 HE1 PHE A 100 -11.677 2.752 4.278 1.00 1.00 H new ATOM 0 HE2 PHE A 100 -14.442 3.997 7.320 1.00 1.00 H new ATOM 0 HZ PHE A 100 -14.008 3.050 5.069 1.00 1.00 H new ATOM 1611 N ASP A 101 -6.697 4.386 8.989 1.00 1.00 N ATOM 1612 CA ASP A 101 -5.584 5.037 9.739 1.00 1.00 C ATOM 1613 C ASP A 101 -4.408 5.320 8.801 1.00 1.00 C ATOM 1614 O ASP A 101 -3.881 6.415 8.764 1.00 1.00 O ATOM 1615 CB ASP A 101 -5.184 4.024 10.813 1.00 1.00 C ATOM 1616 CG ASP A 101 -6.269 3.965 11.888 1.00 1.00 C ATOM 1617 OD1 ASP A 101 -6.439 4.950 12.587 1.00 1.00 O ATOM 1618 OD2 ASP A 101 -6.914 2.934 11.995 1.00 1.00 O ATOM 0 H ASP A 101 -6.801 3.384 9.150 1.00 1.00 H new ATOM 0 HA ASP A 101 -5.881 5.993 10.171 1.00 1.00 H new ATOM 0 HB2 ASP A 101 -5.046 3.039 10.366 1.00 1.00 H new ATOM 0 HB3 ASP A 101 -4.231 4.308 11.259 1.00 1.00 H new ATOM 1805 N LYS A 116 9.582 -1.041 3.439 1.00 1.00 N ATOM 1806 CA LYS A 116 10.633 -1.126 2.384 1.00 1.00 C ATOM 1807 C LYS A 116 11.277 -2.515 2.387 1.00 1.00 C ATOM 1808 O LYS A 116 11.689 -3.017 3.415 1.00 1.00 O ATOM 1809 CB LYS A 116 11.659 -0.058 2.762 1.00 1.00 C ATOM 1810 CG LYS A 116 12.758 -0.006 1.698 1.00 1.00 C ATOM 1811 CD LYS A 116 12.233 -0.605 0.392 1.00 1.00 C ATOM 1812 CE LYS A 116 13.311 -0.495 -0.690 1.00 1.00 C ATOM 1813 NZ LYS A 116 14.599 -0.705 0.028 1.00 1.00 N ATOM 0 HA LYS A 116 10.228 -0.968 1.384 1.00 1.00 H new ATOM 0 HB2 LYS A 116 11.173 0.914 2.846 1.00 1.00 H new ATOM 0 HB3 LYS A 116 12.092 -0.283 3.737 1.00 1.00 H new ATOM 0 HG2 LYS A 116 13.074 1.025 1.537 1.00 1.00 H new ATOM 0 HG3 LYS A 116 13.634 -0.559 2.038 1.00 1.00 H new ATOM 0 HD2 LYS A 116 11.959 -1.649 0.543 1.00 1.00 H new ATOM 0 HD3 LYS A 116 11.331 -0.081 0.076 1.00 1.00 H new ATOM 0 HE2 LYS A 116 13.167 -1.244 -1.469 1.00 1.00 H new ATOM 0 HE3 LYS A 116 13.284 0.480 -1.176 1.00 1.00 H new ATOM 0 HZ1 LYS A 116 15.350 -0.914 -0.660 1.00 1.00 H new ATOM 0 HZ2 LYS A 116 14.845 0.155 0.558 1.00 1.00 H new ATOM 0 HZ3 LYS A 116 14.502 -1.503 0.688 1.00 1.00 H new ATOM 1826 N HIS A 117 11.367 -3.140 1.246 1.00 1.00 N ATOM 1827 CA HIS A 117 11.985 -4.496 1.184 1.00 1.00 C ATOM 1828 C HIS A 117 13.106 -4.519 0.142 1.00 1.00 C ATOM 1829 O HIS A 117 12.902 -4.192 -1.009 1.00 1.00 O ATOM 1830 CB HIS A 117 10.848 -5.431 0.769 1.00 1.00 C ATOM 1831 CG HIS A 117 11.336 -6.370 -0.299 1.00 1.00 C ATOM 1832 ND1 HIS A 117 11.269 -6.055 -1.647 1.00 1.00 N ATOM 1833 CD2 HIS A 117 11.902 -7.620 -0.234 1.00 1.00 C ATOM 1834 CE1 HIS A 117 11.783 -7.093 -2.332 1.00 1.00 C ATOM 1835 NE2 HIS A 117 12.183 -8.074 -1.519 1.00 1.00 N ATOM 0 H HIS A 117 11.040 -2.771 0.353 1.00 1.00 H new ATOM 0 HA HIS A 117 12.429 -4.791 2.135 1.00 1.00 H new ATOM 0 HB2 HIS A 117 10.495 -5.996 1.631 1.00 1.00 H new ATOM 0 HB3 HIS A 117 10.002 -4.851 0.400 1.00 1.00 H new ATOM 0 HD2 HIS A 117 12.099 -8.167 0.676 1.00 1.00 H new ATOM 0 HE1 HIS A 117 11.862 -7.128 -3.408 1.00 1.00 H new ATOM 0 HE2 HIS A 117 12.604 -8.965 -1.783 1.00 1.00 H new ATOM 1843 N HIS A 118 14.289 -4.901 0.538 1.00 1.00 N ATOM 1844 CA HIS A 118 15.422 -4.944 -0.430 1.00 1.00 C ATOM 1845 C HIS A 118 15.314 -6.186 -1.318 1.00 1.00 C ATOM 1846 O HIS A 118 15.136 -7.289 -0.840 1.00 1.00 O ATOM 1847 CB HIS A 118 16.681 -5.010 0.434 1.00 1.00 C ATOM 1848 CG HIS A 118 17.313 -6.368 0.298 1.00 1.00 C ATOM 1849 ND1 HIS A 118 18.278 -6.641 -0.659 1.00 1.00 N ATOM 1850 CD2 HIS A 118 17.128 -7.539 0.989 1.00 1.00 C ATOM 1851 CE1 HIS A 118 18.635 -7.931 -0.519 1.00 1.00 C ATOM 1852 NE2 HIS A 118 17.964 -8.526 0.472 1.00 1.00 N ATOM 0 H HIS A 118 14.520 -5.185 1.490 1.00 1.00 H new ATOM 0 HA HIS A 118 15.429 -4.080 -1.094 1.00 1.00 H new ATOM 0 HB2 HIS A 118 17.386 -4.237 0.128 1.00 1.00 H new ATOM 0 HB3 HIS A 118 16.430 -4.817 1.477 1.00 1.00 H new ATOM 0 HD2 HIS A 118 16.439 -7.675 1.809 1.00 1.00 H new ATOM 0 HE1 HIS A 118 19.374 -8.425 -1.133 1.00 1.00 H new ATOM 0 HE2 HIS A 118 18.046 -9.494 0.783 1.00 1.00 H new ATOM 1860 N HIS A 119 15.409 -6.016 -2.610 1.00 1.00 N ATOM 1861 CA HIS A 119 15.299 -7.184 -3.530 1.00 1.00 C ATOM 1862 C HIS A 119 16.456 -8.161 -3.306 1.00 1.00 C ATOM 1863 O HIS A 119 17.508 -7.797 -2.818 1.00 1.00 O ATOM 1864 CB HIS A 119 15.369 -6.585 -4.935 1.00 1.00 C ATOM 1865 CG HIS A 119 16.712 -5.941 -5.139 1.00 1.00 C ATOM 1866 ND1 HIS A 119 17.897 -6.651 -5.026 1.00 1.00 N ATOM 1867 CD2 HIS A 119 17.075 -4.654 -5.448 1.00 1.00 C ATOM 1868 CE1 HIS A 119 18.907 -5.795 -5.264 1.00 1.00 C ATOM 1869 NE2 HIS A 119 18.461 -4.564 -5.527 1.00 1.00 N ATOM 0 H HIS A 119 15.558 -5.117 -3.068 1.00 1.00 H new ATOM 0 HA HIS A 119 14.380 -7.748 -3.367 1.00 1.00 H new ATOM 0 HB2 HIS A 119 15.210 -7.363 -5.682 1.00 1.00 H new ATOM 0 HB3 HIS A 119 14.577 -5.848 -5.068 1.00 1.00 H new ATOM 0 HD1 HIS A 119 17.987 -7.642 -4.803 1.00 1.00 H new ATOM 0 HD2 HIS A 119 16.389 -3.835 -5.606 1.00 1.00 H new ATOM 0 HE1 HIS A 119 19.951 -6.070 -5.245 1.00 1.00 H new ATOM 1877 N ALA A 120 16.259 -9.403 -3.654 1.00 1.00 N ATOM 1878 CA ALA A 120 17.332 -10.422 -3.460 1.00 1.00 C ATOM 1879 C ALA A 120 18.718 -9.774 -3.532 1.00 1.00 C ATOM 1880 O ALA A 120 18.867 -8.633 -3.919 1.00 1.00 O ATOM 1881 CB ALA A 120 17.145 -11.411 -4.609 1.00 1.00 C ATOM 0 H ALA A 120 15.397 -9.759 -4.067 1.00 1.00 H new ATOM 0 HA ALA A 120 17.265 -10.903 -2.484 1.00 1.00 H new ATOM 0 HB1 ALA A 120 17.898 -12.196 -4.540 1.00 1.00 H new ATOM 0 HB2 ALA A 120 16.151 -11.855 -4.549 1.00 1.00 H new ATOM 0 HB3 ALA A 120 17.252 -10.889 -5.560 1.00 1.00 H new ATOM 1887 N SER A 121 19.732 -10.507 -3.161 1.00 1.00 N ATOM 1888 CA SER A 121 21.116 -9.954 -3.202 1.00 1.00 C ATOM 1889 C SER A 121 21.950 -10.696 -4.250 1.00 1.00 C ATOM 1890 O SER A 121 22.165 -11.887 -4.155 1.00 1.00 O ATOM 1891 CB SER A 121 21.680 -10.190 -1.803 1.00 1.00 C ATOM 1892 OG SER A 121 22.880 -10.945 -1.901 1.00 1.00 O ATOM 0 H SER A 121 19.661 -11.469 -2.830 1.00 1.00 H new ATOM 0 HA SER A 121 21.131 -8.898 -3.473 1.00 1.00 H new ATOM 0 HB2 SER A 121 21.876 -9.237 -1.312 1.00 1.00 H new ATOM 0 HB3 SER A 121 20.952 -10.721 -1.190 1.00 1.00 H new ATOM 0 HG SER A 121 22.661 -11.893 -2.019 1.00 1.00 H new ATOM 1898 N LYS A 122 22.427 -10.002 -5.249 1.00 1.00 N ATOM 1899 CA LYS A 122 23.249 -10.676 -6.295 1.00 1.00 C ATOM 1900 C LYS A 122 24.716 -10.260 -6.163 1.00 1.00 C ATOM 1901 O LYS A 122 25.154 -9.294 -6.759 1.00 1.00 O ATOM 1902 CB LYS A 122 22.671 -10.193 -7.625 1.00 1.00 C ATOM 1903 CG LYS A 122 21.660 -11.216 -8.145 1.00 1.00 C ATOM 1904 CD LYS A 122 21.556 -11.103 -9.667 1.00 1.00 C ATOM 1905 CE LYS A 122 22.143 -12.360 -10.313 1.00 1.00 C ATOM 1906 NZ LYS A 122 22.391 -11.982 -11.733 1.00 1.00 N ATOM 0 H LYS A 122 22.284 -9.001 -5.385 1.00 1.00 H new ATOM 0 HA LYS A 122 23.219 -11.762 -6.209 1.00 1.00 H new ATOM 0 HB2 LYS A 122 22.189 -9.224 -7.493 1.00 1.00 H new ATOM 0 HB3 LYS A 122 23.471 -10.055 -8.352 1.00 1.00 H new ATOM 0 HG2 LYS A 122 21.969 -12.223 -7.865 1.00 1.00 H new ATOM 0 HG3 LYS A 122 20.685 -11.043 -7.689 1.00 1.00 H new ATOM 0 HD2 LYS A 122 20.514 -10.982 -9.963 1.00 1.00 H new ATOM 0 HD3 LYS A 122 22.091 -10.219 -10.014 1.00 1.00 H new ATOM 0 HE2 LYS A 122 23.065 -12.664 -9.818 1.00 1.00 H new ATOM 0 HE3 LYS A 122 21.452 -13.200 -10.243 1.00 1.00 H new ATOM 0 HZ1 LYS A 122 22.794 -12.794 -12.243 1.00 1.00 H new ATOM 0 HZ2 LYS A 122 21.494 -11.703 -12.180 1.00 1.00 H new ATOM 0 HZ3 LYS A 122 23.058 -11.185 -11.769 1.00 1.00 H new ATOM 1919 N VAL A 123 25.480 -10.982 -5.390 1.00 1.00 N ATOM 1920 CA VAL A 123 26.919 -10.629 -5.228 1.00 1.00 C ATOM 1921 C VAL A 123 27.807 -11.721 -5.831 1.00 1.00 C ATOM 1922 O VAL A 123 27.998 -12.769 -5.246 1.00 1.00 O ATOM 1923 CB VAL A 123 27.136 -10.538 -3.717 1.00 1.00 C ATOM 1924 CG1 VAL A 123 27.376 -9.080 -3.322 1.00 1.00 C ATOM 1925 CG2 VAL A 123 25.894 -11.062 -2.992 1.00 1.00 C ATOM 0 H VAL A 123 25.171 -11.800 -4.864 1.00 1.00 H new ATOM 0 HA VAL A 123 27.174 -9.699 -5.735 1.00 1.00 H new ATOM 0 HB VAL A 123 28.002 -11.138 -3.438 1.00 1.00 H new ATOM 0 HG11 VAL A 123 27.531 -9.016 -2.245 1.00 1.00 H new ATOM 0 HG12 VAL A 123 28.259 -8.704 -3.839 1.00 1.00 H new ATOM 0 HG13 VAL A 123 26.510 -8.480 -3.601 1.00 1.00 H new ATOM 0 HG21 VAL A 123 26.047 -10.998 -1.915 1.00 1.00 H new ATOM 0 HG22 VAL A 123 25.029 -10.461 -3.272 1.00 1.00 H new ATOM 0 HG23 VAL A 123 25.720 -12.101 -3.272 1.00 1.00 H new ATOM 1935 N ASP A 124 28.349 -11.489 -6.995 1.00 1.00 N ATOM 1936 CA ASP A 124 29.221 -12.521 -7.627 1.00 1.00 C ATOM 1937 C ASP A 124 30.679 -12.307 -7.212 1.00 1.00 C ATOM 1938 O ASP A 124 31.083 -11.160 -7.106 1.00 1.00 O ATOM 1939 CB ASP A 124 29.056 -12.311 -9.132 1.00 1.00 C ATOM 1940 CG ASP A 124 30.430 -12.315 -9.803 1.00 1.00 C ATOM 1941 OD1 ASP A 124 31.019 -13.380 -9.896 1.00 1.00 O ATOM 1942 OD2 ASP A 124 30.871 -11.253 -10.211 1.00 1.00 O ATOM 0 H ASP A 124 28.227 -10.632 -7.535 1.00 1.00 H new ATOM 0 HA ASP A 124 28.950 -13.532 -7.324 1.00 1.00 H new ATOM 0 HB2 ASP A 124 28.432 -13.099 -9.553 1.00 1.00 H new ATOM 0 HB3 ASP A 124 28.549 -11.366 -9.324 1.00 1.00 H new