USER MOD reduce.3.24.130724 H: found=0, std=0, add=1024, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1027 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 117 SER OG : rot 79:sc= -0.3 USER MOD Set 1.2: A 120 SER OG : rot -157:sc= -3.43! USER MOD Set 1.3: A 130 HIS : no HE2:sc= -18.4! C(o=-22!,f=-30!) USER MOD Set 2.1: A 6 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 124 THR OG1 : rot -21:sc= -0.99 USER MOD Set 2.3: A 125 THR OG1 : rot -1:sc= 0.683 USER MOD Set 2.4: A 126 ASN : amide:sc= -0.952! C(o=-1.3!,f=-13!) USER MOD Set 3.1: A 97 GLN :FLIP amide:sc= -4.17! C(o=-9.5!,f=-3.1!) USER MOD Set 3.2: A 99 SER OG : rot -97:sc= 1.03 USER MOD Set 4.1: A 90 THR OG1 : rot 92:sc= 0.0642 USER MOD Set 4.2: A 104 LYS NZ :NH3+ -123:sc= 0.0263 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HD1:sc= -2.82 K(o=-2.8,f=-4.9!) USER MOD Single : A 10 LYS NZ :NH3+ -140:sc= -0.0392 (180deg=-0.569) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.013 K(o=-0.013,f=-2.2!) USER MOD Single : A 15 LYS NZ :NH3+ 147:sc= -0.0625 (180deg=-0.679) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0322 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.355) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -2.77! X(o=-2.8!,f=-2.6) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 44:sc= -0.599 USER MOD Single : A 46 ASN : amide:sc= -0.251 K(o=-0.25,f=-1!) USER MOD Single : A 53 THR OG1 : rot -61:sc= 0.831 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -117:sc= -0.111 (180deg=-0.723) USER MOD Single : A 65 ASN : amide:sc= -0.174 X(o=-0.17,f=-0.015) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.121 F(o=-1.7!,f=-0.12) USER MOD Single : A 69 ASN : amide:sc= -0.855 K(o=-0.85,f=-1.5) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= -4.06! C(o=-4.1!,f=-7.4!) USER MOD Single : A 76 THR OG1 : rot -110:sc= -0.0304 USER MOD Single : A 91 ASN : amide:sc= -0.345 X(o=-0.35,f=-0.014) USER MOD Single : A 94 LYS NZ :NH3+ -154:sc= 0.25 (180deg=0.0295) USER MOD Single : A 95 THR OG1 : rot -66:sc= 0.00145 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ -161:sc=-0.00956 (180deg=-0.298) USER MOD Single : A 107 ASN : amide:sc= -0.304 K(o=-0.3,f=-2.2!) USER MOD Single : A 109 THR OG1 : rot 74:sc= 0.967 USER MOD Single : A 113 ASN : amide:sc= -0.212 K(o=-0.21,f=-1) USER MOD Single : A 116 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.0104) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 MET CE :methyl 160:sc= -0.0504 (180deg=-0.503) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 50 N LYS A 5 -13.756 10.691 2.591 1.00 0.00 N ATOM 51 CA LYS A 5 -13.852 9.546 1.691 1.00 0.00 C ATOM 52 C LYS A 5 -13.268 8.298 2.344 1.00 0.00 C ATOM 53 O LYS A 5 -12.473 8.385 3.278 1.00 0.00 O ATOM 54 CB LYS A 5 -13.102 9.840 0.392 1.00 0.00 C ATOM 55 CG LYS A 5 -13.696 11.082 -0.275 1.00 0.00 C ATOM 56 CD LYS A 5 -13.698 10.894 -1.792 1.00 0.00 C ATOM 57 CE LYS A 5 -13.973 12.237 -2.470 1.00 0.00 C ATOM 58 NZ LYS A 5 -12.680 12.884 -2.830 1.00 0.00 N ATOM 0 HA LYS A 5 -14.905 9.368 1.472 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -12.044 9.997 0.599 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -13.171 8.985 -0.281 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -14.712 11.249 0.083 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -13.115 11.965 -0.008 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -12.738 10.498 -2.122 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -14.458 10.167 -2.078 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -14.579 12.088 -3.364 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -14.543 12.884 -1.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -12.865 13.798 -3.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -12.118 13.039 -1.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -12.153 12.268 -3.482 1.00 0.00 H new ATOM 72 N SER A 6 -13.668 7.136 1.843 1.00 0.00 N ATOM 73 CA SER A 6 -13.177 5.875 2.384 1.00 0.00 C ATOM 74 C SER A 6 -12.068 5.312 1.500 1.00 0.00 C ATOM 75 O SER A 6 -11.922 5.705 0.344 1.00 0.00 O ATOM 76 CB SER A 6 -14.318 4.865 2.479 1.00 0.00 C ATOM 77 OG SER A 6 -15.559 5.560 2.482 1.00 0.00 O ATOM 0 H SER A 6 -14.326 7.040 1.069 1.00 0.00 H new ATOM 0 HA SER A 6 -12.776 6.060 3.380 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.277 4.172 1.638 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.218 4.270 3.387 1.00 0.00 H new ATOM 0 HG SER A 6 -16.295 4.915 2.541 1.00 0.00 H new ATOM 83 N LEU A 7 -11.286 4.399 2.057 1.00 0.00 N ATOM 84 CA LEU A 7 -10.190 3.798 1.313 1.00 0.00 C ATOM 85 C LEU A 7 -10.659 3.347 -0.064 1.00 0.00 C ATOM 86 O LEU A 7 -10.210 3.866 -1.085 1.00 0.00 O ATOM 87 CB LEU A 7 -9.643 2.585 2.072 1.00 0.00 C ATOM 88 CG LEU A 7 -9.642 2.869 3.583 1.00 0.00 C ATOM 89 CD1 LEU A 7 -10.883 2.260 4.258 1.00 0.00 C ATOM 90 CD2 LEU A 7 -8.385 2.261 4.206 1.00 0.00 C ATOM 0 H LEU A 7 -11.389 4.061 3.014 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.407 4.548 1.199 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -10.252 1.707 1.859 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -8.631 2.360 1.735 1.00 0.00 H new ATOM 0 HG LEU A 7 -9.658 3.948 3.734 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -10.858 2.475 5.326 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -11.783 2.692 3.822 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -10.888 1.181 4.105 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.378 2.459 5.278 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -8.379 1.184 4.036 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.501 2.706 3.749 1.00 0.00 H new ATOM 102 N HIS A 8 -11.576 2.385 -0.089 1.00 0.00 N ATOM 103 CA HIS A 8 -12.093 1.879 -1.352 1.00 0.00 C ATOM 104 C HIS A 8 -12.725 3.003 -2.161 1.00 0.00 C ATOM 105 O HIS A 8 -12.467 3.138 -3.357 1.00 0.00 O ATOM 106 CB HIS A 8 -13.125 0.781 -1.103 1.00 0.00 C ATOM 107 CG HIS A 8 -14.060 1.200 -0.001 1.00 0.00 C ATOM 108 ND1 HIS A 8 -15.174 1.992 -0.235 1.00 0.00 N ATOM 109 CD2 HIS A 8 -14.061 0.941 1.349 1.00 0.00 C ATOM 110 CE1 HIS A 8 -15.792 2.183 0.945 1.00 0.00 C ATOM 111 NE2 HIS A 8 -15.155 1.564 1.943 1.00 0.00 N ATOM 0 H HIS A 8 -11.972 1.945 0.742 1.00 0.00 H new ATOM 0 HA HIS A 8 -11.259 1.463 -1.918 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -13.688 0.585 -2.015 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -12.623 -0.148 -0.833 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -13.326 0.345 1.869 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -16.693 2.765 1.070 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -15.415 1.551 2.929 1.00 0.00 H new ATOM 120 N GLU A 9 -13.547 3.808 -1.501 1.00 0.00 N ATOM 121 CA GLU A 9 -14.205 4.921 -2.173 1.00 0.00 C ATOM 122 C GLU A 9 -13.193 5.693 -3.016 1.00 0.00 C ATOM 123 O GLU A 9 -13.438 5.993 -4.186 1.00 0.00 O ATOM 124 CB GLU A 9 -14.838 5.853 -1.138 1.00 0.00 C ATOM 125 CG GLU A 9 -15.383 7.101 -1.832 1.00 0.00 C ATOM 126 CD GLU A 9 -16.546 7.673 -1.029 1.00 0.00 C ATOM 127 OE1 GLU A 9 -17.604 7.066 -1.043 1.00 0.00 O ATOM 128 OE2 GLU A 9 -16.361 8.708 -0.411 1.00 0.00 O ATOM 0 H GLU A 9 -13.773 3.713 -0.511 1.00 0.00 H new ATOM 0 HA GLU A 9 -14.986 4.530 -2.825 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -15.642 5.337 -0.613 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -14.098 6.136 -0.389 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -14.595 7.847 -1.930 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -15.713 6.852 -2.841 1.00 0.00 H new ATOM 135 N LYS A 10 -12.045 6.004 -2.418 1.00 0.00 N ATOM 136 CA LYS A 10 -11.001 6.733 -3.129 1.00 0.00 C ATOM 137 C LYS A 10 -10.485 5.904 -4.305 1.00 0.00 C ATOM 138 O LYS A 10 -10.506 6.360 -5.448 1.00 0.00 O ATOM 139 CB LYS A 10 -9.847 7.057 -2.175 1.00 0.00 C ATOM 140 CG LYS A 10 -8.798 7.912 -2.896 1.00 0.00 C ATOM 141 CD LYS A 10 -8.769 9.314 -2.290 1.00 0.00 C ATOM 142 CE LYS A 10 -7.839 10.200 -3.121 1.00 0.00 C ATOM 143 NZ LYS A 10 -6.475 9.601 -3.145 1.00 0.00 N ATOM 0 H LYS A 10 -11.817 5.765 -1.453 1.00 0.00 H new ATOM 0 HA LYS A 10 -11.421 7.663 -3.511 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -10.224 7.589 -1.301 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.392 6.135 -1.815 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -7.815 7.448 -2.810 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -9.031 7.970 -3.959 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -9.774 9.737 -2.272 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.423 9.270 -1.257 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.223 10.298 -4.136 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.800 11.203 -2.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.763 10.355 -3.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.373 8.938 -2.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.335 9.091 -4.041 1.00 0.00 H new ATOM 157 N LEU A 11 -10.020 4.692 -4.019 1.00 0.00 N ATOM 158 CA LEU A 11 -9.501 3.821 -5.074 1.00 0.00 C ATOM 159 C LEU A 11 -10.487 3.734 -6.234 1.00 0.00 C ATOM 160 O LEU A 11 -10.085 3.671 -7.397 1.00 0.00 O ATOM 161 CB LEU A 11 -9.240 2.420 -4.515 1.00 0.00 C ATOM 162 CG LEU A 11 -8.262 2.510 -3.341 1.00 0.00 C ATOM 163 CD1 LEU A 11 -8.064 1.125 -2.727 1.00 0.00 C ATOM 164 CD2 LEU A 11 -6.911 3.051 -3.825 1.00 0.00 C ATOM 0 H LEU A 11 -9.991 4.293 -3.081 1.00 0.00 H new ATOM 0 HA LEU A 11 -8.566 4.245 -5.440 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -10.176 1.968 -4.188 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.831 1.777 -5.294 1.00 0.00 H new ATOM 0 HG LEU A 11 -8.672 3.186 -2.590 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -7.367 1.194 -1.892 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -9.021 0.745 -2.371 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.662 0.447 -3.480 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -6.221 3.112 -2.983 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.502 2.383 -4.582 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.049 4.044 -4.254 1.00 0.00 H new ATOM 176 N LYS A 12 -11.775 3.732 -5.914 1.00 0.00 N ATOM 177 CA LYS A 12 -12.806 3.650 -6.943 1.00 0.00 C ATOM 178 C LYS A 12 -12.841 4.931 -7.771 1.00 0.00 C ATOM 179 O LYS A 12 -12.931 4.886 -8.997 1.00 0.00 O ATOM 180 CB LYS A 12 -14.171 3.418 -6.296 1.00 0.00 C ATOM 181 CG LYS A 12 -14.360 1.924 -6.027 1.00 0.00 C ATOM 182 CD LYS A 12 -15.494 1.727 -5.021 1.00 0.00 C ATOM 183 CE LYS A 12 -16.198 0.398 -5.298 1.00 0.00 C ATOM 184 NZ LYS A 12 -17.175 0.574 -6.409 1.00 0.00 N ATOM 0 H LYS A 12 -12.129 3.786 -4.959 1.00 0.00 H new ATOM 0 HA LYS A 12 -12.571 2.814 -7.601 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -14.244 3.978 -5.364 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -14.962 3.784 -6.950 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -14.589 1.402 -6.956 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -13.437 1.494 -5.639 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -15.099 1.736 -4.005 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -16.206 2.549 -5.094 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -15.466 -0.365 -5.561 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -16.711 0.052 -4.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -17.653 -0.330 -6.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -17.880 1.290 -6.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -16.674 0.885 -7.266 1.00 0.00 H new ATOM 198 N GLN A 13 -12.773 6.068 -7.091 1.00 0.00 N ATOM 199 CA GLN A 13 -12.800 7.356 -7.773 1.00 0.00 C ATOM 200 C GLN A 13 -11.436 7.682 -8.376 1.00 0.00 C ATOM 201 O GLN A 13 -11.314 8.596 -9.195 1.00 0.00 O ATOM 202 CB GLN A 13 -13.202 8.455 -6.790 1.00 0.00 C ATOM 203 CG GLN A 13 -14.720 8.644 -6.828 1.00 0.00 C ATOM 204 CD GLN A 13 -15.176 9.454 -5.619 1.00 0.00 C ATOM 205 OE1 GLN A 13 -14.661 10.545 -5.372 1.00 0.00 O ATOM 206 NE2 GLN A 13 -16.116 8.983 -4.848 1.00 0.00 N ATOM 0 H GLN A 13 -12.699 6.126 -6.075 1.00 0.00 H new ATOM 0 HA GLN A 13 -13.531 7.301 -8.580 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -12.883 8.190 -5.782 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -12.702 9.389 -7.048 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -15.008 9.154 -7.747 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -15.215 7.673 -6.833 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -16.541 8.079 -5.055 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -16.427 9.519 -4.037 1.00 0.00 H new ATOM 215 N ASP A 14 -10.416 6.935 -7.970 1.00 0.00 N ATOM 216 CA ASP A 14 -9.067 7.159 -8.482 1.00 0.00 C ATOM 217 C ASP A 14 -8.769 6.212 -9.641 1.00 0.00 C ATOM 218 O ASP A 14 -8.465 5.038 -9.432 1.00 0.00 O ATOM 219 CB ASP A 14 -8.037 6.943 -7.371 1.00 0.00 C ATOM 220 CG ASP A 14 -7.627 8.283 -6.770 1.00 0.00 C ATOM 221 OD1 ASP A 14 -8.510 9.057 -6.441 1.00 0.00 O ATOM 222 OD2 ASP A 14 -6.435 8.515 -6.648 1.00 0.00 O ATOM 0 H ASP A 14 -10.494 6.175 -7.294 1.00 0.00 H new ATOM 0 HA ASP A 14 -9.005 8.187 -8.838 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -8.455 6.301 -6.596 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.161 6.431 -7.770 1.00 0.00 H new ATOM 227 N LYS A 15 -8.858 6.729 -10.862 1.00 0.00 N ATOM 228 CA LYS A 15 -8.597 5.917 -12.044 1.00 0.00 C ATOM 229 C LYS A 15 -7.157 5.410 -12.039 1.00 0.00 C ATOM 230 O LYS A 15 -6.825 4.437 -12.718 1.00 0.00 O ATOM 231 CB LYS A 15 -8.846 6.739 -13.308 1.00 0.00 C ATOM 232 CG LYS A 15 -10.232 6.408 -13.864 1.00 0.00 C ATOM 233 CD LYS A 15 -11.301 6.769 -12.830 1.00 0.00 C ATOM 234 CE LYS A 15 -12.407 7.583 -13.504 1.00 0.00 C ATOM 235 NZ LYS A 15 -12.936 6.827 -14.674 1.00 0.00 N ATOM 0 H LYS A 15 -9.107 7.699 -11.058 1.00 0.00 H new ATOM 0 HA LYS A 15 -9.272 5.061 -12.030 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.777 7.803 -13.083 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -8.081 6.521 -14.054 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -10.405 6.959 -14.788 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -10.293 5.348 -14.109 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -11.718 5.863 -12.390 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -10.857 7.343 -12.017 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -13.209 7.784 -12.794 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -12.018 8.548 -13.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -13.950 7.029 -14.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -12.426 7.116 -15.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -12.802 5.808 -14.518 1.00 0.00 H new ATOM 249 N ARG A 16 -6.312 6.072 -11.261 1.00 0.00 N ATOM 250 CA ARG A 16 -4.907 5.685 -11.165 1.00 0.00 C ATOM 251 C ARG A 16 -4.767 4.331 -10.477 1.00 0.00 C ATOM 252 O ARG A 16 -3.770 3.633 -10.657 1.00 0.00 O ATOM 253 CB ARG A 16 -4.124 6.743 -10.383 1.00 0.00 C ATOM 254 CG ARG A 16 -5.003 7.976 -10.136 1.00 0.00 C ATOM 255 CD ARG A 16 -4.181 9.079 -9.459 1.00 0.00 C ATOM 256 NE ARG A 16 -4.500 10.376 -10.044 1.00 0.00 N ATOM 257 CZ ARG A 16 -3.789 11.458 -9.741 1.00 0.00 C ATOM 258 NH1 ARG A 16 -2.777 11.363 -8.923 1.00 0.00 N ATOM 259 NH2 ARG A 16 -4.097 12.611 -10.270 1.00 0.00 N ATOM 0 H ARG A 16 -6.571 6.876 -10.689 1.00 0.00 H new ATOM 0 HA ARG A 16 -4.503 5.608 -12.174 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.789 6.329 -9.432 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -3.231 7.029 -10.938 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -5.407 8.340 -11.081 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.853 7.707 -9.508 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -4.389 9.093 -8.389 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.117 8.872 -9.574 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.281 10.454 -10.696 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.532 10.460 -8.517 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -2.230 12.192 -8.689 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -4.883 12.682 -10.916 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -3.551 13.441 -10.037 1.00 0.00 H new ATOM 273 N PHE A 17 -5.773 3.977 -9.682 1.00 0.00 N ATOM 274 CA PHE A 17 -5.763 2.707 -8.956 1.00 0.00 C ATOM 275 C PHE A 17 -6.922 1.816 -9.391 1.00 0.00 C ATOM 276 O PHE A 17 -7.354 0.934 -8.648 1.00 0.00 O ATOM 277 CB PHE A 17 -5.843 2.971 -7.451 1.00 0.00 C ATOM 278 CG PHE A 17 -4.954 4.142 -7.085 1.00 0.00 C ATOM 279 CD1 PHE A 17 -3.654 4.242 -7.605 1.00 0.00 C ATOM 280 CD2 PHE A 17 -5.430 5.129 -6.211 1.00 0.00 C ATOM 281 CE1 PHE A 17 -2.841 5.324 -7.253 1.00 0.00 C ATOM 282 CE2 PHE A 17 -4.615 6.212 -5.862 1.00 0.00 C ATOM 283 CZ PHE A 17 -3.319 6.309 -6.382 1.00 0.00 C ATOM 0 H PHE A 17 -6.603 4.548 -9.523 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.832 2.188 -9.186 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -6.873 3.182 -7.164 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.534 2.083 -6.900 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -3.282 3.483 -8.277 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.428 5.054 -5.806 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.841 5.399 -7.655 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.986 6.973 -5.191 1.00 0.00 H new ATOM 0 HZ PHE A 17 -2.689 7.143 -6.111 1.00 0.00 H new ATOM 293 N SER A 18 -7.404 2.035 -10.610 1.00 0.00 N ATOM 294 CA SER A 18 -8.495 1.229 -11.140 1.00 0.00 C ATOM 295 C SER A 18 -8.076 -0.239 -11.217 1.00 0.00 C ATOM 296 O SER A 18 -8.822 -1.149 -10.830 1.00 0.00 O ATOM 297 CB SER A 18 -8.862 1.723 -12.537 1.00 0.00 C ATOM 298 OG SER A 18 -10.257 1.986 -12.594 1.00 0.00 O ATOM 0 H SER A 18 -7.060 2.757 -11.243 1.00 0.00 H new ATOM 0 HA SER A 18 -9.356 1.321 -10.478 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.301 2.627 -12.774 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.591 0.975 -13.282 1.00 0.00 H new ATOM 0 HG SER A 18 -10.493 2.305 -13.490 1.00 0.00 H new ATOM 304 N THR A 19 -6.863 -0.469 -11.714 1.00 0.00 N ATOM 305 CA THR A 19 -6.362 -1.829 -11.832 1.00 0.00 C ATOM 306 C THR A 19 -6.471 -2.540 -10.490 1.00 0.00 C ATOM 307 O THR A 19 -6.952 -3.671 -10.409 1.00 0.00 O ATOM 308 CB THR A 19 -4.908 -1.818 -12.296 1.00 0.00 C ATOM 309 OG1 THR A 19 -4.750 -0.864 -13.338 1.00 0.00 O ATOM 310 CG2 THR A 19 -4.536 -3.207 -12.811 1.00 0.00 C ATOM 0 H THR A 19 -6.222 0.256 -12.035 1.00 0.00 H new ATOM 0 HA THR A 19 -6.963 -2.361 -12.569 1.00 0.00 H new ATOM 0 HB THR A 19 -4.258 -1.551 -11.463 1.00 0.00 H new ATOM 0 HG1 THR A 19 -3.816 -0.856 -13.635 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.498 -3.206 -13.144 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.659 -3.937 -12.011 1.00 0.00 H new ATOM 0 HG23 THR A 19 -5.185 -3.471 -13.646 1.00 0.00 H new ATOM 318 N PHE A 20 -6.035 -1.859 -9.434 1.00 0.00 N ATOM 319 CA PHE A 20 -6.104 -2.424 -8.095 1.00 0.00 C ATOM 320 C PHE A 20 -7.519 -2.868 -7.792 1.00 0.00 C ATOM 321 O PHE A 20 -7.734 -3.956 -7.260 1.00 0.00 O ATOM 322 CB PHE A 20 -5.658 -1.387 -7.063 1.00 0.00 C ATOM 323 CG PHE A 20 -4.253 -1.701 -6.608 1.00 0.00 C ATOM 324 CD1 PHE A 20 -3.922 -1.615 -5.251 1.00 0.00 C ATOM 325 CD2 PHE A 20 -3.282 -2.075 -7.545 1.00 0.00 C ATOM 326 CE1 PHE A 20 -2.619 -1.901 -4.831 1.00 0.00 C ATOM 327 CE2 PHE A 20 -1.978 -2.362 -7.126 1.00 0.00 C ATOM 328 CZ PHE A 20 -1.647 -2.275 -5.770 1.00 0.00 C ATOM 0 H PHE A 20 -5.634 -0.923 -9.481 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.439 -3.286 -8.044 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.696 -0.387 -7.496 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -6.337 -1.391 -6.210 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.672 -1.328 -4.529 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.540 -2.142 -8.592 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -2.362 -1.834 -3.784 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -1.229 -2.650 -7.848 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.641 -2.496 -5.445 1.00 0.00 H new ATOM 338 N LEU A 21 -8.476 -2.035 -8.137 1.00 0.00 N ATOM 339 CA LEU A 21 -9.866 -2.370 -7.896 1.00 0.00 C ATOM 340 C LEU A 21 -10.212 -3.684 -8.579 1.00 0.00 C ATOM 341 O LEU A 21 -11.010 -4.461 -8.061 1.00 0.00 O ATOM 342 CB LEU A 21 -10.776 -1.260 -8.430 1.00 0.00 C ATOM 343 CG LEU A 21 -11.710 -0.753 -7.322 1.00 0.00 C ATOM 344 CD1 LEU A 21 -12.559 -1.909 -6.785 1.00 0.00 C ATOM 345 CD2 LEU A 21 -10.883 -0.172 -6.175 1.00 0.00 C ATOM 0 H LEU A 21 -8.322 -1.130 -8.581 1.00 0.00 H new ATOM 0 HA LEU A 21 -10.019 -2.472 -6.822 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -10.171 -0.436 -8.809 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.365 -1.635 -9.267 1.00 0.00 H new ATOM 0 HG LEU A 21 -12.360 0.017 -7.736 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -13.219 -1.541 -5.999 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -13.157 -2.328 -7.594 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -11.906 -2.682 -6.379 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -11.550 0.187 -5.391 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -10.229 -0.945 -5.770 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -10.279 0.657 -6.545 1.00 0.00 H new ATOM 357 N SER A 22 -9.623 -3.919 -9.735 1.00 0.00 N ATOM 358 CA SER A 22 -9.915 -5.144 -10.481 1.00 0.00 C ATOM 359 C SER A 22 -9.316 -6.387 -9.825 1.00 0.00 C ATOM 360 O SER A 22 -10.016 -7.378 -9.585 1.00 0.00 O ATOM 361 CB SER A 22 -9.393 -5.029 -11.912 1.00 0.00 C ATOM 362 OG SER A 22 -10.263 -5.729 -12.786 1.00 0.00 O ATOM 0 H SER A 22 -8.949 -3.295 -10.179 1.00 0.00 H new ATOM 0 HA SER A 22 -10.999 -5.259 -10.484 1.00 0.00 H new ATOM 0 HB2 SER A 22 -9.330 -3.981 -12.205 1.00 0.00 H new ATOM 0 HB3 SER A 22 -8.385 -5.439 -11.978 1.00 0.00 H new ATOM 0 HG SER A 22 -9.932 -5.656 -13.705 1.00 0.00 H new ATOM 368 N LEU A 23 -8.025 -6.343 -9.568 1.00 0.00 N ATOM 369 CA LEU A 23 -7.320 -7.481 -8.969 1.00 0.00 C ATOM 370 C LEU A 23 -7.682 -7.668 -7.500 1.00 0.00 C ATOM 371 O LEU A 23 -7.803 -8.800 -7.019 1.00 0.00 O ATOM 372 CB LEU A 23 -5.800 -7.286 -9.111 1.00 0.00 C ATOM 373 CG LEU A 23 -5.392 -5.903 -8.571 1.00 0.00 C ATOM 374 CD1 LEU A 23 -4.795 -6.020 -7.169 1.00 0.00 C ATOM 375 CD2 LEU A 23 -4.349 -5.257 -9.486 1.00 0.00 C ATOM 0 H LEU A 23 -7.433 -5.535 -9.761 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.630 -8.380 -9.502 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.272 -8.068 -8.565 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.510 -7.376 -10.158 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.291 -5.287 -8.536 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.515 -5.030 -6.809 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.532 -6.456 -6.495 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.912 -6.658 -7.202 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.072 -4.280 -9.089 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.465 -5.893 -9.535 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.766 -5.137 -10.486 1.00 0.00 H new ATOM 387 N LEU A 24 -7.850 -6.563 -6.778 1.00 0.00 N ATOM 388 CA LEU A 24 -8.177 -6.660 -5.364 1.00 0.00 C ATOM 389 C LEU A 24 -9.604 -7.139 -5.178 1.00 0.00 C ATOM 390 O LEU A 24 -9.892 -7.915 -4.269 1.00 0.00 O ATOM 391 CB LEU A 24 -7.937 -5.320 -4.663 1.00 0.00 C ATOM 392 CG LEU A 24 -9.208 -4.464 -4.662 1.00 0.00 C ATOM 393 CD1 LEU A 24 -10.165 -4.885 -3.535 1.00 0.00 C ATOM 394 CD2 LEU A 24 -8.815 -3.015 -4.437 1.00 0.00 C ATOM 0 H LEU A 24 -7.767 -5.613 -7.140 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.519 -7.397 -4.903 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.612 -5.495 -3.638 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.133 -4.782 -5.165 1.00 0.00 H new ATOM 0 HG LEU A 24 -9.714 -4.596 -5.618 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -11.057 -4.259 -3.562 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.450 -5.928 -3.671 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.668 -4.767 -2.572 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.709 -2.392 -4.434 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.304 -2.921 -3.479 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.149 -2.690 -5.237 1.00 0.00 H new ATOM 406 N GLU A 25 -10.492 -6.686 -6.050 1.00 0.00 N ATOM 407 CA GLU A 25 -11.875 -7.093 -5.974 1.00 0.00 C ATOM 408 C GLU A 25 -12.026 -8.554 -6.398 1.00 0.00 C ATOM 409 O GLU A 25 -12.906 -9.258 -5.916 1.00 0.00 O ATOM 410 CB GLU A 25 -12.711 -6.195 -6.880 1.00 0.00 C ATOM 411 CG GLU A 25 -14.170 -6.586 -6.776 1.00 0.00 C ATOM 412 CD GLU A 25 -14.647 -7.179 -8.097 1.00 0.00 C ATOM 413 OE1 GLU A 25 -15.028 -6.413 -8.964 1.00 0.00 O ATOM 414 OE2 GLU A 25 -14.620 -8.392 -8.218 1.00 0.00 O ATOM 0 H GLU A 25 -10.276 -6.042 -6.811 1.00 0.00 H new ATOM 0 HA GLU A 25 -12.221 -6.998 -4.945 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -12.582 -5.151 -6.593 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -12.372 -6.286 -7.912 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -14.304 -7.311 -5.973 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -14.772 -5.713 -6.521 1.00 0.00 H new ATOM 421 N ALA A 26 -11.150 -9.006 -7.290 1.00 0.00 N ATOM 422 CA ALA A 26 -11.193 -10.386 -7.749 1.00 0.00 C ATOM 423 C ALA A 26 -10.864 -11.334 -6.598 1.00 0.00 C ATOM 424 O ALA A 26 -11.506 -12.376 -6.440 1.00 0.00 O ATOM 425 CB ALA A 26 -10.186 -10.588 -8.883 1.00 0.00 C ATOM 0 H ALA A 26 -10.409 -8.441 -7.705 1.00 0.00 H new ATOM 0 HA ALA A 26 -12.197 -10.603 -8.114 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.223 -11.623 -9.222 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -10.434 -9.925 -9.712 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.183 -10.360 -8.524 1.00 0.00 H new ATOM 431 N ALA A 27 -9.868 -10.969 -5.794 1.00 0.00 N ATOM 432 CA ALA A 27 -9.478 -11.807 -4.660 1.00 0.00 C ATOM 433 C ALA A 27 -10.449 -11.619 -3.494 1.00 0.00 C ATOM 434 O ALA A 27 -10.365 -12.321 -2.488 1.00 0.00 O ATOM 435 CB ALA A 27 -8.062 -11.448 -4.204 1.00 0.00 C ATOM 0 H ALA A 27 -9.323 -10.113 -5.902 1.00 0.00 H new ATOM 0 HA ALA A 27 -9.504 -12.849 -4.980 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.781 -12.077 -3.360 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.363 -11.609 -5.025 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.031 -10.401 -3.902 1.00 0.00 H new ATOM 441 N ASP A 28 -11.368 -10.666 -3.638 1.00 0.00 N ATOM 442 CA ASP A 28 -12.347 -10.388 -2.592 1.00 0.00 C ATOM 443 C ASP A 28 -11.702 -9.601 -1.449 1.00 0.00 C ATOM 444 O ASP A 28 -11.930 -9.900 -0.275 1.00 0.00 O ATOM 445 CB ASP A 28 -12.930 -11.700 -2.054 1.00 0.00 C ATOM 446 CG ASP A 28 -14.364 -11.487 -1.576 1.00 0.00 C ATOM 447 OD1 ASP A 28 -15.215 -11.221 -2.409 1.00 0.00 O ATOM 448 OD2 ASP A 28 -14.589 -11.595 -0.381 1.00 0.00 O ATOM 0 H ASP A 28 -11.454 -10.076 -4.466 1.00 0.00 H new ATOM 0 HA ASP A 28 -13.150 -9.788 -3.022 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -12.909 -12.462 -2.833 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -12.316 -12.068 -1.232 1.00 0.00 H new ATOM 453 N LEU A 29 -10.894 -8.597 -1.797 1.00 0.00 N ATOM 454 CA LEU A 29 -10.220 -7.780 -0.788 1.00 0.00 C ATOM 455 C LEU A 29 -10.926 -6.444 -0.620 1.00 0.00 C ATOM 456 O LEU A 29 -10.349 -5.466 -0.149 1.00 0.00 O ATOM 457 CB LEU A 29 -8.755 -7.556 -1.174 1.00 0.00 C ATOM 458 CG LEU A 29 -7.871 -8.641 -0.533 1.00 0.00 C ATOM 459 CD1 LEU A 29 -7.723 -8.419 0.973 1.00 0.00 C ATOM 460 CD2 LEU A 29 -8.480 -10.027 -0.758 1.00 0.00 C ATOM 0 H LEU A 29 -10.692 -8.332 -2.761 1.00 0.00 H new ATOM 0 HA LEU A 29 -10.256 -8.313 0.162 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.648 -7.582 -2.258 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.430 -6.569 -0.845 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.890 -8.579 -1.005 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.093 -9.202 1.396 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.265 -7.447 1.154 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -8.706 -8.450 1.444 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.843 -10.783 -0.299 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -9.472 -10.066 -0.308 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.559 -10.220 -1.828 1.00 0.00 H new ATOM 472 N LYS A 30 -12.184 -6.421 -1.008 1.00 0.00 N ATOM 473 CA LYS A 30 -12.994 -5.218 -0.915 1.00 0.00 C ATOM 474 C LYS A 30 -13.939 -5.293 0.287 1.00 0.00 C ATOM 475 O LYS A 30 -14.398 -4.265 0.788 1.00 0.00 O ATOM 476 CB LYS A 30 -13.803 -5.003 -2.211 1.00 0.00 C ATOM 477 CG LYS A 30 -14.352 -6.326 -2.784 1.00 0.00 C ATOM 478 CD LYS A 30 -15.746 -6.605 -2.221 1.00 0.00 C ATOM 479 CE LYS A 30 -16.053 -8.095 -2.375 1.00 0.00 C ATOM 480 NZ LYS A 30 -15.921 -8.471 -3.811 1.00 0.00 N ATOM 0 H LYS A 30 -12.674 -7.228 -1.394 1.00 0.00 H new ATOM 0 HA LYS A 30 -12.322 -4.370 -0.778 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -14.632 -4.324 -2.011 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -13.170 -4.522 -2.956 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -14.395 -6.270 -3.872 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -13.679 -7.146 -2.534 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -15.793 -6.317 -1.171 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -16.492 -6.010 -2.748 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -15.368 -8.685 -1.767 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -17.061 -8.310 -2.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -16.380 -9.390 -3.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -16.377 -7.747 -4.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -14.914 -8.538 -4.061 1.00 0.00 H new ATOM 494 N GLU A 31 -14.230 -6.513 0.741 1.00 0.00 N ATOM 495 CA GLU A 31 -15.130 -6.697 1.881 1.00 0.00 C ATOM 496 C GLU A 31 -14.487 -6.220 3.179 1.00 0.00 C ATOM 497 O GLU A 31 -14.960 -5.278 3.816 1.00 0.00 O ATOM 498 CB GLU A 31 -15.492 -8.178 2.010 1.00 0.00 C ATOM 499 CG GLU A 31 -16.759 -8.459 1.199 1.00 0.00 C ATOM 500 CD GLU A 31 -17.993 -8.201 2.056 1.00 0.00 C ATOM 501 OE1 GLU A 31 -18.838 -9.077 2.122 1.00 0.00 O ATOM 502 OE2 GLU A 31 -18.077 -7.128 2.632 1.00 0.00 O ATOM 0 H GLU A 31 -13.862 -7.377 0.344 1.00 0.00 H new ATOM 0 HA GLU A 31 -16.027 -6.103 1.705 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -14.671 -8.798 1.650 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -15.651 -8.436 3.057 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -16.782 -7.825 0.313 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -16.757 -9.492 0.851 1.00 0.00 H new ATOM 509 N LEU A 32 -13.390 -6.859 3.558 1.00 0.00 N ATOM 510 CA LEU A 32 -12.678 -6.489 4.771 1.00 0.00 C ATOM 511 C LEU A 32 -12.267 -5.015 4.714 1.00 0.00 C ATOM 512 O LEU A 32 -12.037 -4.381 5.746 1.00 0.00 O ATOM 513 CB LEU A 32 -11.434 -7.390 4.956 1.00 0.00 C ATOM 514 CG LEU A 32 -10.242 -6.930 4.081 1.00 0.00 C ATOM 515 CD1 LEU A 32 -8.991 -7.715 4.478 1.00 0.00 C ATOM 516 CD2 LEU A 32 -10.530 -7.203 2.601 1.00 0.00 C ATOM 0 H LEU A 32 -12.974 -7.635 3.043 1.00 0.00 H new ATOM 0 HA LEU A 32 -13.340 -6.632 5.625 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.136 -7.384 6.005 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.692 -8.419 4.704 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.091 -5.861 4.234 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.150 -7.394 3.864 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.764 -7.532 5.528 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.166 -8.780 4.325 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.683 -6.874 1.999 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.688 -8.271 2.452 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.424 -6.658 2.298 1.00 0.00 H new ATOM 528 N LEU A 33 -12.151 -4.498 3.497 1.00 0.00 N ATOM 529 CA LEU A 33 -11.737 -3.115 3.284 1.00 0.00 C ATOM 530 C LEU A 33 -12.829 -2.140 3.688 1.00 0.00 C ATOM 531 O LEU A 33 -12.560 -1.136 4.347 1.00 0.00 O ATOM 532 CB LEU A 33 -11.392 -2.916 1.806 1.00 0.00 C ATOM 533 CG LEU A 33 -9.925 -2.508 1.644 1.00 0.00 C ATOM 534 CD1 LEU A 33 -9.681 -1.171 2.343 1.00 0.00 C ATOM 535 CD2 LEU A 33 -9.030 -3.587 2.253 1.00 0.00 C ATOM 0 H LEU A 33 -12.338 -5.017 2.639 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.864 -2.918 3.906 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.581 -3.838 1.256 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -12.038 -2.150 1.376 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.691 -2.401 0.585 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.636 -0.884 2.225 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.319 -0.407 1.899 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.914 -1.267 3.404 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.985 -3.300 2.139 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.263 -3.698 3.312 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.203 -4.534 1.742 1.00 0.00 H new ATOM 547 N THR A 34 -14.053 -2.426 3.285 1.00 0.00 N ATOM 548 CA THR A 34 -15.162 -1.551 3.616 1.00 0.00 C ATOM 549 C THR A 34 -15.529 -1.696 5.086 1.00 0.00 C ATOM 550 O THR A 34 -16.211 -0.839 5.658 1.00 0.00 O ATOM 551 CB THR A 34 -16.379 -1.883 2.749 1.00 0.00 C ATOM 552 OG1 THR A 34 -17.458 -1.032 3.108 1.00 0.00 O ATOM 553 CG2 THR A 34 -16.793 -3.340 2.946 1.00 0.00 C ATOM 0 H THR A 34 -14.303 -3.247 2.734 1.00 0.00 H new ATOM 0 HA THR A 34 -14.857 -0.523 3.424 1.00 0.00 H new ATOM 0 HB THR A 34 -16.119 -1.731 1.702 1.00 0.00 H new ATOM 0 HG1 THR A 34 -18.238 -1.241 2.553 1.00 0.00 H new ATOM 0 HG21 THR A 34 -17.660 -3.559 2.322 1.00 0.00 H new ATOM 0 HG22 THR A 34 -15.968 -3.994 2.664 1.00 0.00 H new ATOM 0 HG23 THR A 34 -17.047 -3.508 3.993 1.00 0.00 H new ATOM 561 N GLN A 35 -15.096 -2.802 5.687 1.00 0.00 N ATOM 562 CA GLN A 35 -15.414 -3.057 7.084 1.00 0.00 C ATOM 563 C GLN A 35 -14.568 -2.174 8.015 1.00 0.00 C ATOM 564 O GLN A 35 -13.354 -2.081 7.834 1.00 0.00 O ATOM 565 CB GLN A 35 -15.180 -4.533 7.421 1.00 0.00 C ATOM 566 CG GLN A 35 -16.473 -5.340 7.211 1.00 0.00 C ATOM 567 CD GLN A 35 -16.139 -6.699 6.616 1.00 0.00 C ATOM 568 OE1 GLN A 35 -15.965 -7.675 7.343 1.00 0.00 O ATOM 569 NE2 GLN A 35 -16.040 -6.815 5.323 1.00 0.00 N ATOM 0 H GLN A 35 -14.534 -3.523 5.235 1.00 0.00 H new ATOM 0 HA GLN A 35 -16.465 -2.813 7.237 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -14.386 -4.935 6.792 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -14.847 -4.629 8.455 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -16.993 -5.466 8.161 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -17.148 -4.798 6.548 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -16.186 -6.001 4.725 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -15.817 -7.720 4.908 1.00 0.00 H new ATOM 578 N PRO A 36 -15.171 -1.536 9.007 1.00 0.00 N ATOM 579 CA PRO A 36 -14.432 -0.668 9.966 1.00 0.00 C ATOM 580 C PRO A 36 -13.071 -1.240 10.362 1.00 0.00 C ATOM 581 O PRO A 36 -12.840 -2.446 10.280 1.00 0.00 O ATOM 582 CB PRO A 36 -15.362 -0.617 11.175 1.00 0.00 C ATOM 583 CG PRO A 36 -16.739 -0.752 10.617 1.00 0.00 C ATOM 584 CD PRO A 36 -16.615 -1.562 9.327 1.00 0.00 C ATOM 0 HA PRO A 36 -14.205 0.307 9.536 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -15.141 -1.422 11.876 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -15.248 0.320 11.720 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -17.396 -1.254 11.327 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -17.173 0.228 10.418 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -16.972 -2.583 9.464 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -17.207 -1.122 8.524 1.00 0.00 H new ATOM 592 N GLY A 37 -12.175 -0.358 10.803 1.00 0.00 N ATOM 593 CA GLY A 37 -10.840 -0.773 11.225 1.00 0.00 C ATOM 594 C GLY A 37 -9.774 0.140 10.629 1.00 0.00 C ATOM 595 O GLY A 37 -9.884 0.570 9.485 1.00 0.00 O ATOM 0 H GLY A 37 -12.349 0.644 10.877 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.775 -0.753 12.313 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -10.659 -1.802 10.914 1.00 0.00 H new ATOM 599 N ASP A 38 -8.747 0.437 11.418 1.00 0.00 N ATOM 600 CA ASP A 38 -7.669 1.306 10.962 1.00 0.00 C ATOM 601 C ASP A 38 -6.467 0.488 10.508 1.00 0.00 C ATOM 602 O ASP A 38 -5.973 -0.370 11.240 1.00 0.00 O ATOM 603 CB ASP A 38 -7.250 2.249 12.090 1.00 0.00 C ATOM 604 CG ASP A 38 -8.115 1.998 13.320 1.00 0.00 C ATOM 605 OD1 ASP A 38 -8.879 2.882 13.674 1.00 0.00 O ATOM 606 OD2 ASP A 38 -8.001 0.926 13.891 1.00 0.00 O ATOM 0 H ASP A 38 -8.639 0.091 12.371 1.00 0.00 H new ATOM 0 HA ASP A 38 -8.033 1.887 10.115 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.199 2.094 12.335 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -7.352 3.285 11.767 1.00 0.00 H new ATOM 611 N TRP A 39 -6.002 0.759 9.293 1.00 0.00 N ATOM 612 CA TRP A 39 -4.857 0.042 8.747 1.00 0.00 C ATOM 613 C TRP A 39 -4.117 0.905 7.731 1.00 0.00 C ATOM 614 O TRP A 39 -4.613 1.963 7.316 1.00 0.00 O ATOM 615 CB TRP A 39 -5.317 -1.245 8.067 1.00 0.00 C ATOM 616 CG TRP A 39 -6.715 -1.569 8.480 1.00 0.00 C ATOM 617 CD1 TRP A 39 -7.071 -2.187 9.629 1.00 0.00 C ATOM 618 CD2 TRP A 39 -7.945 -1.309 7.757 1.00 0.00 C ATOM 619 NE1 TRP A 39 -8.447 -2.318 9.656 1.00 0.00 N ATOM 620 CE2 TRP A 39 -9.031 -1.790 8.521 1.00 0.00 C ATOM 621 CE3 TRP A 39 -8.217 -0.703 6.521 1.00 0.00 C ATOM 622 CZ2 TRP A 39 -10.347 -1.672 8.071 1.00 0.00 C ATOM 623 CZ3 TRP A 39 -9.537 -0.584 6.067 1.00 0.00 C ATOM 624 CH2 TRP A 39 -10.601 -1.072 6.838 1.00 0.00 C ATOM 0 H TRP A 39 -6.397 1.465 8.672 1.00 0.00 H new ATOM 0 HA TRP A 39 -4.185 -0.198 9.571 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -5.266 -1.132 6.984 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -4.651 -2.065 8.334 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -6.392 -2.523 10.399 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -8.967 -2.751 10.420 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -7.405 -0.327 5.917 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -11.163 -2.043 8.674 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -9.736 -0.113 5.116 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -11.615 -0.984 6.478 1.00 0.00 H new ATOM 635 N THR A 40 -2.931 0.445 7.330 1.00 0.00 N ATOM 636 CA THR A 40 -2.125 1.171 6.355 1.00 0.00 C ATOM 637 C THR A 40 -1.991 0.373 5.060 1.00 0.00 C ATOM 638 O THR A 40 -1.466 -0.743 5.055 1.00 0.00 O ATOM 639 CB THR A 40 -0.739 1.468 6.932 1.00 0.00 C ATOM 640 OG1 THR A 40 -0.862 1.811 8.304 1.00 0.00 O ATOM 641 CG2 THR A 40 -0.104 2.631 6.169 1.00 0.00 C ATOM 0 H THR A 40 -2.511 -0.422 7.665 1.00 0.00 H new ATOM 0 HA THR A 40 -2.627 2.112 6.130 1.00 0.00 H new ATOM 0 HB THR A 40 -0.108 0.585 6.833 1.00 0.00 H new ATOM 0 HG1 THR A 40 0.025 2.000 8.675 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.883 2.841 6.581 1.00 0.00 H new ATOM 0 HG22 THR A 40 -0.008 2.366 5.116 1.00 0.00 H new ATOM 0 HG23 THR A 40 -0.733 3.516 6.265 1.00 0.00 H new ATOM 649 N LEU A 41 -2.476 0.956 3.964 1.00 0.00 N ATOM 650 CA LEU A 41 -2.415 0.303 2.660 1.00 0.00 C ATOM 651 C LEU A 41 -1.375 0.977 1.778 1.00 0.00 C ATOM 652 O LEU A 41 -1.230 2.203 1.800 1.00 0.00 O ATOM 653 CB LEU A 41 -3.787 0.361 1.977 1.00 0.00 C ATOM 654 CG LEU A 41 -3.959 1.703 1.240 1.00 0.00 C ATOM 655 CD1 LEU A 41 -3.286 1.673 -0.148 1.00 0.00 C ATOM 656 CD2 LEU A 41 -5.450 1.986 1.069 1.00 0.00 C ATOM 0 H LEU A 41 -2.914 1.877 3.955 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.131 -0.739 2.808 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.885 -0.464 1.272 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.576 0.242 2.719 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.484 2.485 1.832 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.426 2.635 -0.641 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.220 1.477 -0.031 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.736 0.886 -0.753 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.583 2.934 0.548 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.908 1.186 0.488 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.925 2.041 2.049 1.00 0.00 H new ATOM 668 N PHE A 42 -0.659 0.167 1.002 1.00 0.00 N ATOM 669 CA PHE A 42 0.369 0.687 0.107 1.00 0.00 C ATOM 670 C PHE A 42 -0.044 0.499 -1.351 1.00 0.00 C ATOM 671 O PHE A 42 -0.143 -0.628 -1.839 1.00 0.00 O ATOM 672 CB PHE A 42 1.690 -0.037 0.368 1.00 0.00 C ATOM 673 CG PHE A 42 2.483 0.728 1.403 1.00 0.00 C ATOM 674 CD1 PHE A 42 1.921 1.018 2.657 1.00 0.00 C ATOM 675 CD2 PHE A 42 3.781 1.154 1.109 1.00 0.00 C ATOM 676 CE1 PHE A 42 2.658 1.736 3.606 1.00 0.00 C ATOM 677 CE2 PHE A 42 4.511 1.870 2.064 1.00 0.00 C ATOM 678 CZ PHE A 42 3.951 2.159 3.309 1.00 0.00 C ATOM 0 H PHE A 42 -0.771 -0.846 0.975 1.00 0.00 H new ATOM 0 HA PHE A 42 0.493 1.753 0.298 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.499 -1.052 0.717 1.00 0.00 H new ATOM 0 HB3 PHE A 42 2.261 -0.120 -0.557 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.920 0.687 2.889 1.00 0.00 H new ATOM 0 HD2 PHE A 42 4.219 0.931 0.147 1.00 0.00 H new ATOM 0 HE1 PHE A 42 2.224 1.962 4.569 1.00 0.00 H new ATOM 0 HE2 PHE A 42 5.514 2.201 1.836 1.00 0.00 H new ATOM 0 HZ PHE A 42 4.520 2.711 4.042 1.00 0.00 H new ATOM 688 N VAL A 43 -0.296 1.612 -2.039 1.00 0.00 N ATOM 689 CA VAL A 43 -0.711 1.563 -3.438 1.00 0.00 C ATOM 690 C VAL A 43 0.308 2.264 -4.358 1.00 0.00 C ATOM 691 O VAL A 43 0.459 3.483 -4.277 1.00 0.00 O ATOM 692 CB VAL A 43 -2.078 2.231 -3.596 1.00 0.00 C ATOM 693 CG1 VAL A 43 -2.081 3.632 -2.976 1.00 0.00 C ATOM 694 CG2 VAL A 43 -2.407 2.335 -5.084 1.00 0.00 C ATOM 0 H VAL A 43 -0.220 2.553 -1.652 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.770 0.515 -3.730 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.825 1.628 -3.081 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.065 4.084 -3.103 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.849 3.560 -1.913 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.332 4.250 -3.470 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.380 2.810 -5.209 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.645 2.932 -5.584 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.431 1.337 -5.522 1.00 0.00 H new ATOM 704 N PRO A 44 0.991 1.539 -5.240 1.00 0.00 N ATOM 705 CA PRO A 44 1.976 2.148 -6.180 1.00 0.00 C ATOM 706 C PRO A 44 1.292 2.745 -7.411 1.00 0.00 C ATOM 707 O PRO A 44 0.228 2.284 -7.821 1.00 0.00 O ATOM 708 CB PRO A 44 2.858 0.970 -6.578 1.00 0.00 C ATOM 709 CG PRO A 44 1.973 -0.229 -6.491 1.00 0.00 C ATOM 710 CD PRO A 44 0.910 0.076 -5.439 1.00 0.00 C ATOM 0 HA PRO A 44 2.527 2.972 -5.726 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.252 1.096 -7.586 1.00 0.00 H new ATOM 0 HB3 PRO A 44 3.715 0.876 -5.911 1.00 0.00 H new ATOM 0 HG2 PRO A 44 1.512 -0.438 -7.456 1.00 0.00 H new ATOM 0 HG3 PRO A 44 2.547 -1.113 -6.214 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -0.081 -0.224 -5.779 1.00 0.00 H new ATOM 0 HD3 PRO A 44 1.105 -0.462 -4.511 1.00 0.00 H new ATOM 718 N THR A 45 1.908 3.767 -8.004 1.00 0.00 N ATOM 719 CA THR A 45 1.335 4.396 -9.190 1.00 0.00 C ATOM 720 C THR A 45 1.845 3.717 -10.461 1.00 0.00 C ATOM 721 O THR A 45 2.666 2.803 -10.406 1.00 0.00 O ATOM 722 CB THR A 45 1.703 5.878 -9.213 1.00 0.00 C ATOM 723 OG1 THR A 45 3.011 6.042 -8.690 1.00 0.00 O ATOM 724 CG2 THR A 45 0.713 6.656 -8.355 1.00 0.00 C ATOM 0 H THR A 45 2.790 4.171 -7.688 1.00 0.00 H new ATOM 0 HA THR A 45 0.251 4.289 -9.152 1.00 0.00 H new ATOM 0 HB THR A 45 1.669 6.250 -10.237 1.00 0.00 H new ATOM 0 HG1 THR A 45 3.602 5.358 -9.068 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.973 7.715 -8.369 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.294 6.524 -8.751 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.751 6.287 -7.330 1.00 0.00 H new ATOM 732 N ASN A 46 1.353 4.169 -11.610 1.00 0.00 N ATOM 733 CA ASN A 46 1.770 3.594 -12.889 1.00 0.00 C ATOM 734 C ASN A 46 3.293 3.628 -13.025 1.00 0.00 C ATOM 735 O ASN A 46 3.911 2.677 -13.520 1.00 0.00 O ATOM 736 CB ASN A 46 1.139 4.380 -14.039 1.00 0.00 C ATOM 737 CG ASN A 46 2.079 4.394 -15.239 1.00 0.00 C ATOM 738 OD1 ASN A 46 2.505 3.339 -15.708 1.00 0.00 O ATOM 739 ND2 ASN A 46 2.433 5.535 -15.765 1.00 0.00 N ATOM 0 H ASN A 46 0.672 4.924 -11.685 1.00 0.00 H new ATOM 0 HA ASN A 46 1.437 2.557 -12.926 1.00 0.00 H new ATOM 0 HB2 ASN A 46 0.186 3.930 -14.318 1.00 0.00 H new ATOM 0 HB3 ASN A 46 0.928 5.401 -13.720 1.00 0.00 H new ATOM 0 HD21 ASN A 46 3.064 5.553 -16.566 1.00 0.00 H new ATOM 0 HD22 ASN A 46 2.079 6.408 -15.375 1.00 0.00 H new ATOM 746 N ASP A 47 3.894 4.726 -12.576 1.00 0.00 N ATOM 747 CA ASP A 47 5.344 4.880 -12.643 1.00 0.00 C ATOM 748 C ASP A 47 6.036 3.665 -12.032 1.00 0.00 C ATOM 749 O ASP A 47 7.242 3.473 -12.192 1.00 0.00 O ATOM 750 CB ASP A 47 5.767 6.147 -11.904 1.00 0.00 C ATOM 751 CG ASP A 47 4.926 6.313 -10.649 1.00 0.00 C ATOM 752 OD1 ASP A 47 4.954 5.416 -9.823 1.00 0.00 O ATOM 753 OD2 ASP A 47 4.274 7.338 -10.523 1.00 0.00 O ATOM 0 H ASP A 47 3.402 5.519 -12.164 1.00 0.00 H new ATOM 0 HA ASP A 47 5.639 4.961 -13.689 1.00 0.00 H new ATOM 0 HB2 ASP A 47 6.823 6.091 -11.641 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.646 7.015 -12.552 1.00 0.00 H new ATOM 758 N ALA A 48 5.260 2.850 -11.338 1.00 0.00 N ATOM 759 CA ALA A 48 5.788 1.647 -10.702 1.00 0.00 C ATOM 760 C ALA A 48 5.707 0.454 -11.655 1.00 0.00 C ATOM 761 O ALA A 48 6.474 -0.500 -11.536 1.00 0.00 O ATOM 762 CB ALA A 48 4.973 1.342 -9.455 1.00 0.00 C ATOM 0 H ALA A 48 4.260 2.997 -11.198 1.00 0.00 H new ATOM 0 HA ALA A 48 6.832 1.819 -10.440 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.363 0.444 -8.976 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.040 2.181 -8.762 1.00 0.00 H new ATOM 0 HB3 ALA A 48 3.931 1.182 -9.732 1.00 0.00 H new ATOM 768 N PHE A 49 4.767 0.512 -12.594 1.00 0.00 N ATOM 769 CA PHE A 49 4.585 -0.573 -13.553 1.00 0.00 C ATOM 770 C PHE A 49 5.727 -0.597 -14.554 1.00 0.00 C ATOM 771 O PHE A 49 6.142 -1.660 -15.017 1.00 0.00 O ATOM 772 CB PHE A 49 3.266 -0.392 -14.302 1.00 0.00 C ATOM 773 CG PHE A 49 2.232 -1.335 -13.740 1.00 0.00 C ATOM 774 CD1 PHE A 49 1.679 -1.090 -12.481 1.00 0.00 C ATOM 775 CD2 PHE A 49 1.832 -2.457 -14.477 1.00 0.00 C ATOM 776 CE1 PHE A 49 0.722 -1.964 -11.955 1.00 0.00 C ATOM 777 CE2 PHE A 49 0.873 -3.331 -13.953 1.00 0.00 C ATOM 778 CZ PHE A 49 0.320 -3.087 -12.689 1.00 0.00 C ATOM 0 H PHE A 49 4.123 1.294 -12.711 1.00 0.00 H new ATOM 0 HA PHE A 49 4.570 -1.515 -13.005 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.922 0.638 -14.209 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.410 -0.586 -15.365 1.00 0.00 H new ATOM 0 HD1 PHE A 49 1.990 -0.225 -11.914 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.263 -2.647 -15.449 1.00 0.00 H new ATOM 0 HE1 PHE A 49 0.293 -1.773 -10.983 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.559 -4.193 -14.523 1.00 0.00 H new ATOM 0 HZ PHE A 49 -0.416 -3.764 -12.281 1.00 0.00 H new ATOM 834 N THR A 53 8.800 -6.812 -16.290 1.00 0.00 N ATOM 835 CA THR A 53 8.845 -7.576 -17.526 1.00 0.00 C ATOM 836 C THR A 53 7.572 -8.394 -17.697 1.00 0.00 C ATOM 837 O THR A 53 6.860 -8.658 -16.729 1.00 0.00 O ATOM 838 CB THR A 53 10.059 -8.500 -17.521 1.00 0.00 C ATOM 839 OG1 THR A 53 10.114 -9.208 -16.292 1.00 0.00 O ATOM 840 CG2 THR A 53 11.322 -7.658 -17.683 1.00 0.00 C ATOM 0 HA THR A 53 8.925 -6.880 -18.361 1.00 0.00 H new ATOM 0 HB THR A 53 9.983 -9.214 -18.341 1.00 0.00 H new ATOM 0 HG1 THR A 53 10.201 -8.572 -15.552 1.00 0.00 H new ATOM 0 HG21 THR A 53 12.196 -8.309 -17.681 1.00 0.00 H new ATOM 0 HG22 THR A 53 11.278 -7.113 -18.626 1.00 0.00 H new ATOM 0 HG23 THR A 53 11.395 -6.949 -16.858 1.00 0.00 H new ATOM 848 N SER A 54 7.291 -8.784 -18.934 1.00 0.00 N ATOM 849 CA SER A 54 6.099 -9.567 -19.223 1.00 0.00 C ATOM 850 C SER A 54 6.120 -10.875 -18.441 1.00 0.00 C ATOM 851 O SER A 54 5.088 -11.336 -17.958 1.00 0.00 O ATOM 852 CB SER A 54 6.020 -9.870 -20.720 1.00 0.00 C ATOM 853 OG SER A 54 4.722 -9.533 -21.197 1.00 0.00 O ATOM 0 H SER A 54 7.869 -8.572 -19.748 1.00 0.00 H new ATOM 0 HA SER A 54 5.225 -8.988 -18.924 1.00 0.00 H new ATOM 0 HB2 SER A 54 6.778 -9.301 -21.259 1.00 0.00 H new ATOM 0 HB3 SER A 54 6.225 -10.925 -20.901 1.00 0.00 H new ATOM 0 HG SER A 54 4.666 -9.724 -22.157 1.00 0.00 H new ATOM 859 N GLU A 55 7.301 -11.465 -18.319 1.00 0.00 N ATOM 860 CA GLU A 55 7.447 -12.723 -17.597 1.00 0.00 C ATOM 861 C GLU A 55 7.223 -12.517 -16.102 1.00 0.00 C ATOM 862 O GLU A 55 6.710 -13.400 -15.415 1.00 0.00 O ATOM 863 CB GLU A 55 8.845 -13.302 -17.832 1.00 0.00 C ATOM 864 CG GLU A 55 8.835 -14.802 -17.537 1.00 0.00 C ATOM 865 CD GLU A 55 10.220 -15.254 -17.085 1.00 0.00 C ATOM 866 OE1 GLU A 55 10.306 -15.865 -16.032 1.00 0.00 O ATOM 867 OE2 GLU A 55 11.171 -14.985 -17.798 1.00 0.00 O ATOM 0 H GLU A 55 8.168 -11.096 -18.708 1.00 0.00 H new ATOM 0 HA GLU A 55 6.697 -13.421 -17.970 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.154 -13.126 -18.862 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.570 -12.800 -17.191 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.100 -15.024 -16.763 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.536 -15.354 -18.428 1.00 0.00 H new ATOM 874 N GLU A 56 7.615 -11.349 -15.610 1.00 0.00 N ATOM 875 CA GLU A 56 7.462 -11.034 -14.194 1.00 0.00 C ATOM 876 C GLU A 56 5.990 -10.942 -13.809 1.00 0.00 C ATOM 877 O GLU A 56 5.530 -11.638 -12.903 1.00 0.00 O ATOM 878 CB GLU A 56 8.145 -9.703 -13.881 1.00 0.00 C ATOM 879 CG GLU A 56 9.476 -9.964 -13.176 1.00 0.00 C ATOM 880 CD GLU A 56 10.255 -8.661 -13.038 1.00 0.00 C ATOM 881 OE1 GLU A 56 10.155 -8.042 -11.992 1.00 0.00 O ATOM 882 OE2 GLU A 56 10.941 -8.302 -13.981 1.00 0.00 O ATOM 0 H GLU A 56 8.039 -10.607 -16.166 1.00 0.00 H new ATOM 0 HA GLU A 56 7.926 -11.835 -13.619 1.00 0.00 H new ATOM 0 HB2 GLU A 56 8.313 -9.143 -14.801 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.501 -9.092 -13.249 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.297 -10.397 -12.192 1.00 0.00 H new ATOM 0 HG3 GLU A 56 10.061 -10.689 -13.742 1.00 0.00 H new ATOM 889 N LYS A 57 5.258 -10.071 -14.495 1.00 0.00 N ATOM 890 CA LYS A 57 3.841 -9.892 -14.203 1.00 0.00 C ATOM 891 C LYS A 57 3.095 -11.206 -14.382 1.00 0.00 C ATOM 892 O LYS A 57 2.136 -11.490 -13.665 1.00 0.00 O ATOM 893 CB LYS A 57 3.242 -8.824 -15.121 1.00 0.00 C ATOM 894 CG LYS A 57 3.452 -9.227 -16.578 1.00 0.00 C ATOM 895 CD LYS A 57 2.935 -8.119 -17.497 1.00 0.00 C ATOM 896 CE LYS A 57 2.202 -8.743 -18.686 1.00 0.00 C ATOM 897 NZ LYS A 57 1.751 -7.668 -19.614 1.00 0.00 N ATOM 0 H LYS A 57 5.617 -9.484 -15.248 1.00 0.00 H new ATOM 0 HA LYS A 57 3.739 -9.567 -13.168 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.178 -8.708 -14.915 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.711 -7.859 -14.928 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.510 -9.406 -16.767 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.929 -10.160 -16.787 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.263 -7.460 -16.947 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.765 -7.507 -17.849 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.860 -9.437 -19.209 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.345 -9.319 -18.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.253 -8.093 -20.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.108 -7.023 -19.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.577 -7.137 -19.957 1.00 0.00 H new ATOM 911 N GLU A 58 3.549 -12.010 -15.336 1.00 0.00 N ATOM 912 CA GLU A 58 2.919 -13.296 -15.591 1.00 0.00 C ATOM 913 C GLU A 58 3.150 -14.238 -14.420 1.00 0.00 C ATOM 914 O GLU A 58 2.215 -14.696 -13.787 1.00 0.00 O ATOM 915 CB GLU A 58 3.494 -13.923 -16.864 1.00 0.00 C ATOM 916 CG GLU A 58 2.890 -13.231 -18.079 1.00 0.00 C ATOM 917 CD GLU A 58 3.686 -13.576 -19.332 1.00 0.00 C ATOM 918 OE1 GLU A 58 4.395 -12.709 -19.817 1.00 0.00 O ATOM 919 OE2 GLU A 58 3.577 -14.701 -19.790 1.00 0.00 O ATOM 0 H GLU A 58 4.343 -11.796 -15.939 1.00 0.00 H new ATOM 0 HA GLU A 58 1.849 -13.135 -15.718 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.579 -13.822 -16.875 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.272 -14.990 -16.890 1.00 0.00 H new ATOM 0 HG2 GLU A 58 1.852 -13.539 -18.203 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.887 -12.152 -17.927 1.00 0.00 H new ATOM 926 N ILE A 59 4.405 -14.519 -14.130 1.00 0.00 N ATOM 927 CA ILE A 59 4.724 -15.406 -13.023 1.00 0.00 C ATOM 928 C ILE A 59 3.861 -15.071 -11.801 1.00 0.00 C ATOM 929 O ILE A 59 3.428 -15.969 -11.068 1.00 0.00 O ATOM 930 CB ILE A 59 6.197 -15.258 -12.682 1.00 0.00 C ATOM 931 CG1 ILE A 59 7.042 -15.916 -13.772 1.00 0.00 C ATOM 932 CG2 ILE A 59 6.482 -15.942 -11.345 1.00 0.00 C ATOM 933 CD1 ILE A 59 8.456 -15.335 -13.746 1.00 0.00 C ATOM 0 H ILE A 59 5.212 -14.153 -14.636 1.00 0.00 H new ATOM 0 HA ILE A 59 4.516 -16.436 -13.312 1.00 0.00 H new ATOM 0 HB ILE A 59 6.447 -14.199 -12.613 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.078 -16.994 -13.617 1.00 0.00 H new ATOM 0 HG13 ILE A 59 6.588 -15.750 -14.749 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.539 -15.836 -11.100 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.880 -15.478 -10.563 1.00 0.00 H new ATOM 0 HG23 ILE A 59 6.231 -17.000 -11.417 1.00 0.00 H new ATOM 0 HD11 ILE A 59 9.057 -15.806 -14.524 1.00 0.00 H new ATOM 0 HD12 ILE A 59 8.411 -14.260 -13.922 1.00 0.00 H new ATOM 0 HD13 ILE A 59 8.909 -15.524 -12.773 1.00 0.00 H new ATOM 945 N LEU A 60 3.616 -13.783 -11.590 1.00 0.00 N ATOM 946 CA LEU A 60 2.813 -13.347 -10.451 1.00 0.00 C ATOM 947 C LEU A 60 1.382 -13.870 -10.546 1.00 0.00 C ATOM 948 O LEU A 60 0.942 -14.654 -9.705 1.00 0.00 O ATOM 949 CB LEU A 60 2.789 -11.818 -10.398 1.00 0.00 C ATOM 950 CG LEU A 60 3.736 -11.331 -9.303 1.00 0.00 C ATOM 951 CD1 LEU A 60 5.138 -11.883 -9.561 1.00 0.00 C ATOM 952 CD2 LEU A 60 3.783 -9.802 -9.311 1.00 0.00 C ATOM 0 H LEU A 60 3.957 -13.028 -12.185 1.00 0.00 H new ATOM 0 HA LEU A 60 3.266 -13.749 -9.544 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.088 -11.405 -11.362 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.776 -11.466 -10.201 1.00 0.00 H new ATOM 0 HG LEU A 60 3.379 -11.679 -8.334 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.815 -11.536 -8.780 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.107 -12.973 -9.556 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.494 -11.534 -10.531 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.459 -9.455 -8.530 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.140 -9.454 -10.280 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.784 -9.406 -9.129 1.00 0.00 H new ATOM 964 N ILE A 61 0.661 -13.425 -11.574 1.00 0.00 N ATOM 965 CA ILE A 61 -0.724 -13.843 -11.766 1.00 0.00 C ATOM 966 C ILE A 61 -0.802 -15.348 -12.000 1.00 0.00 C ATOM 967 O ILE A 61 -1.865 -15.954 -11.861 1.00 0.00 O ATOM 968 CB ILE A 61 -1.358 -13.091 -12.948 1.00 0.00 C ATOM 969 CG1 ILE A 61 -0.778 -13.592 -14.269 1.00 0.00 C ATOM 970 CG2 ILE A 61 -1.068 -11.592 -12.826 1.00 0.00 C ATOM 971 CD1 ILE A 61 -1.786 -14.498 -14.974 1.00 0.00 C ATOM 0 H ILE A 61 1.011 -12.779 -12.282 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.280 -13.601 -10.860 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.433 -13.268 -12.930 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.527 -12.746 -14.909 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.147 -14.138 -14.085 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.520 -11.064 -13.666 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.487 -11.215 -11.893 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.010 -11.428 -12.832 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.363 -14.850 -15.915 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.015 -15.352 -14.337 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.700 -13.939 -15.174 1.00 0.00 H new ATOM 983 N ARG A 62 0.331 -15.946 -12.354 1.00 0.00 N ATOM 984 CA ARG A 62 0.377 -17.381 -12.602 1.00 0.00 C ATOM 985 C ARG A 62 0.141 -18.148 -11.310 1.00 0.00 C ATOM 986 O ARG A 62 -0.569 -19.153 -11.296 1.00 0.00 O ATOM 987 CB ARG A 62 1.736 -17.782 -13.177 1.00 0.00 C ATOM 988 CG ARG A 62 1.578 -19.016 -14.068 1.00 0.00 C ATOM 989 CD ARG A 62 0.849 -18.644 -15.365 1.00 0.00 C ATOM 990 NE ARG A 62 -0.416 -19.364 -15.453 1.00 0.00 N ATOM 991 CZ ARG A 62 -1.406 -18.925 -16.224 1.00 0.00 C ATOM 992 NH1 ARG A 62 -1.255 -17.831 -16.917 1.00 0.00 N ATOM 993 NH2 ARG A 62 -2.526 -19.592 -16.290 1.00 0.00 N ATOM 0 H ARG A 62 1.222 -15.464 -12.475 1.00 0.00 H new ATOM 0 HA ARG A 62 -0.406 -17.625 -13.320 1.00 0.00 H new ATOM 0 HB2 ARG A 62 2.155 -16.957 -13.753 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.435 -17.993 -12.368 1.00 0.00 H new ATOM 0 HG2 ARG A 62 2.558 -19.434 -14.300 1.00 0.00 H new ATOM 0 HG3 ARG A 62 1.020 -19.788 -13.537 1.00 0.00 H new ATOM 0 HD2 ARG A 62 0.668 -17.570 -15.394 1.00 0.00 H new ATOM 0 HD3 ARG A 62 1.474 -18.885 -16.225 1.00 0.00 H new ATOM 0 HE ARG A 62 -0.544 -20.220 -14.913 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -0.378 -17.313 -16.867 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -2.014 -17.493 -17.509 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -2.641 -20.450 -15.750 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -3.286 -19.256 -16.881 1.00 0.00 H new ATOM 1007 N ASP A 63 0.737 -17.663 -10.223 1.00 0.00 N ATOM 1008 CA ASP A 63 0.574 -18.318 -8.928 1.00 0.00 C ATOM 1009 C ASP A 63 -0.384 -17.520 -8.049 1.00 0.00 C ATOM 1010 O ASP A 63 -0.246 -16.305 -7.908 1.00 0.00 O ATOM 1011 CB ASP A 63 1.928 -18.454 -8.235 1.00 0.00 C ATOM 1012 CG ASP A 63 1.770 -19.245 -6.942 1.00 0.00 C ATOM 1013 OD1 ASP A 63 0.822 -18.982 -6.219 1.00 0.00 O ATOM 1014 OD2 ASP A 63 2.596 -20.109 -6.694 1.00 0.00 O ATOM 0 H ASP A 63 1.328 -16.832 -10.212 1.00 0.00 H new ATOM 0 HA ASP A 63 0.157 -19.312 -9.089 1.00 0.00 H new ATOM 0 HB2 ASP A 63 2.636 -18.956 -8.895 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.338 -17.467 -8.020 1.00 0.00 H new ATOM 1019 N LYS A 64 -1.366 -18.207 -7.474 1.00 0.00 N ATOM 1020 CA LYS A 64 -2.348 -17.545 -6.625 1.00 0.00 C ATOM 1021 C LYS A 64 -1.690 -17.026 -5.356 1.00 0.00 C ATOM 1022 O LYS A 64 -2.046 -15.965 -4.863 1.00 0.00 O ATOM 1023 CB LYS A 64 -3.485 -18.532 -6.277 1.00 0.00 C ATOM 1024 CG LYS A 64 -4.405 -17.987 -5.159 1.00 0.00 C ATOM 1025 CD LYS A 64 -5.275 -16.838 -5.679 1.00 0.00 C ATOM 1026 CE LYS A 64 -6.698 -17.354 -5.877 1.00 0.00 C ATOM 1027 NZ LYS A 64 -7.286 -17.682 -4.549 1.00 0.00 N ATOM 0 H LYS A 64 -1.502 -19.212 -7.579 1.00 0.00 H new ATOM 0 HA LYS A 64 -2.767 -16.695 -7.164 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -4.078 -18.731 -7.170 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -3.056 -19.483 -5.961 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -5.041 -18.788 -4.783 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -3.800 -17.640 -4.321 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.269 -16.009 -4.972 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.876 -16.458 -6.620 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -7.304 -16.601 -6.381 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.692 -18.238 -6.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -7.496 -18.700 -4.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -6.609 -17.435 -3.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.164 -17.141 -4.415 1.00 0.00 H new ATOM 1041 N ASN A 65 -0.756 -17.781 -4.817 1.00 0.00 N ATOM 1042 CA ASN A 65 -0.090 -17.374 -3.594 1.00 0.00 C ATOM 1043 C ASN A 65 0.764 -16.132 -3.824 1.00 0.00 C ATOM 1044 O ASN A 65 0.923 -15.300 -2.924 1.00 0.00 O ATOM 1045 CB ASN A 65 0.783 -18.517 -3.081 1.00 0.00 C ATOM 1046 CG ASN A 65 0.120 -19.180 -1.876 1.00 0.00 C ATOM 1047 OD1 ASN A 65 -0.122 -20.386 -1.885 1.00 0.00 O ATOM 1048 ND2 ASN A 65 -0.191 -18.458 -0.833 1.00 0.00 N ATOM 0 H ASN A 65 -0.442 -18.672 -5.201 1.00 0.00 H new ATOM 0 HA ASN A 65 -0.850 -17.132 -2.851 1.00 0.00 H new ATOM 0 HB2 ASN A 65 0.937 -19.251 -3.872 1.00 0.00 H new ATOM 0 HB3 ASN A 65 1.766 -18.138 -2.803 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -0.635 -18.894 -0.025 1.00 0.00 H new ATOM 0 HD22 ASN A 65 0.010 -17.458 -0.827 1.00 0.00 H new ATOM 1055 N ALA A 66 1.320 -16.017 -5.023 1.00 0.00 N ATOM 1056 CA ALA A 66 2.174 -14.881 -5.339 1.00 0.00 C ATOM 1057 C ALA A 66 1.378 -13.587 -5.406 1.00 0.00 C ATOM 1058 O ALA A 66 1.617 -12.649 -4.630 1.00 0.00 O ATOM 1059 CB ALA A 66 2.863 -15.107 -6.684 1.00 0.00 C ATOM 0 H ALA A 66 1.197 -16.686 -5.783 1.00 0.00 H new ATOM 0 HA ALA A 66 2.915 -14.794 -4.544 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.500 -14.253 -6.914 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.471 -16.011 -6.634 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.110 -15.219 -7.464 1.00 0.00 H new ATOM 1065 N LEU A 67 0.419 -13.527 -6.326 1.00 0.00 N ATOM 1066 CA LEU A 67 -0.376 -12.322 -6.448 1.00 0.00 C ATOM 1067 C LEU A 67 -1.059 -12.029 -5.123 1.00 0.00 C ATOM 1068 O LEU A 67 -1.289 -10.870 -4.786 1.00 0.00 O ATOM 1069 CB LEU A 67 -1.397 -12.426 -7.605 1.00 0.00 C ATOM 1070 CG LEU A 67 -2.831 -12.612 -7.083 1.00 0.00 C ATOM 1071 CD1 LEU A 67 -3.815 -12.538 -8.241 1.00 0.00 C ATOM 1072 CD2 LEU A 67 -2.950 -13.978 -6.410 1.00 0.00 C ATOM 0 H LEU A 67 0.183 -14.276 -6.976 1.00 0.00 H new ATOM 0 HA LEU A 67 0.285 -11.490 -6.693 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.346 -11.525 -8.217 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.133 -13.264 -8.249 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.057 -11.824 -6.365 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.830 -12.670 -7.865 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.732 -11.566 -8.727 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.589 -13.324 -8.961 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.966 -14.113 -6.039 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.721 -14.761 -7.133 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.249 -14.036 -5.578 1.00 0.00 H new ATOM 1084 N GLN A 68 -1.405 -13.080 -4.381 1.00 0.00 N ATOM 1085 CA GLN A 68 -2.093 -12.893 -3.110 1.00 0.00 C ATOM 1086 C GLN A 68 -1.227 -12.079 -2.155 1.00 0.00 C ATOM 1087 O GLN A 68 -1.663 -11.074 -1.575 1.00 0.00 O ATOM 1088 CB GLN A 68 -2.435 -14.234 -2.446 1.00 0.00 C ATOM 1089 CG GLN A 68 -3.924 -14.554 -2.655 1.00 0.00 C ATOM 1090 CD GLN A 68 -4.766 -13.794 -1.641 1.00 0.00 C ATOM 1091 OE1 GLN A 68 -4.963 -12.514 -1.816 1.00 0.00 O flip ATOM 1092 NE2 GLN A 68 -5.259 -14.377 -0.674 1.00 0.00 N flip ATOM 0 H GLN A 68 -1.223 -14.051 -4.634 1.00 0.00 H new ATOM 0 HA GLN A 68 -3.021 -12.362 -3.322 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -1.820 -15.028 -2.870 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -2.209 -14.191 -1.381 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -4.225 -14.282 -3.667 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -4.093 -15.626 -2.550 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -5.100 -15.376 -0.546 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -5.826 -13.860 -0.002 1.00 0.00 H new ATOM 1101 N ASN A 69 0.014 -12.520 -1.985 1.00 0.00 N ATOM 1102 CA ASN A 69 0.915 -11.816 -1.098 1.00 0.00 C ATOM 1103 C ASN A 69 1.038 -10.361 -1.533 1.00 0.00 C ATOM 1104 O ASN A 69 1.086 -9.456 -0.700 1.00 0.00 O ATOM 1105 CB ASN A 69 2.288 -12.481 -1.108 1.00 0.00 C ATOM 1106 CG ASN A 69 3.282 -11.602 -1.857 1.00 0.00 C ATOM 1107 OD1 ASN A 69 3.896 -10.713 -1.262 1.00 0.00 O ATOM 1108 ND2 ASN A 69 3.477 -11.797 -3.130 1.00 0.00 N ATOM 0 H ASN A 69 0.407 -13.343 -2.441 1.00 0.00 H new ATOM 0 HA ASN A 69 0.514 -11.852 -0.085 1.00 0.00 H new ATOM 0 HB2 ASN A 69 2.631 -12.644 -0.086 1.00 0.00 H new ATOM 0 HB3 ASN A 69 2.225 -13.460 -1.583 1.00 0.00 H new ATOM 0 HD21 ASN A 69 4.140 -11.213 -3.640 1.00 0.00 H new ATOM 0 HD22 ASN A 69 2.967 -12.534 -3.617 1.00 0.00 H new ATOM 1115 N ILE A 70 1.078 -10.144 -2.844 1.00 0.00 N ATOM 1116 CA ILE A 70 1.185 -8.787 -3.372 1.00 0.00 C ATOM 1117 C ILE A 70 -0.154 -8.062 -3.266 1.00 0.00 C ATOM 1118 O ILE A 70 -0.198 -6.857 -3.029 1.00 0.00 O ATOM 1119 CB ILE A 70 1.626 -8.830 -4.832 1.00 0.00 C ATOM 1120 CG1 ILE A 70 3.132 -9.113 -4.908 1.00 0.00 C ATOM 1121 CG2 ILE A 70 1.327 -7.479 -5.486 1.00 0.00 C ATOM 1122 CD1 ILE A 70 3.403 -10.196 -5.955 1.00 0.00 C ATOM 0 H ILE A 70 1.039 -10.878 -3.552 1.00 0.00 H new ATOM 0 HA ILE A 70 1.926 -8.246 -2.783 1.00 0.00 H new ATOM 0 HB ILE A 70 1.086 -9.620 -5.354 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.670 -8.201 -5.167 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.501 -9.435 -3.934 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.640 -7.503 -6.530 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.257 -7.278 -5.432 1.00 0.00 H new ATOM 0 HG23 ILE A 70 1.871 -6.693 -4.962 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.474 -10.394 -6.005 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.878 -11.110 -5.677 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.050 -9.857 -6.929 1.00 0.00 H new ATOM 1134 N ILE A 71 -1.244 -8.801 -3.432 1.00 0.00 N ATOM 1135 CA ILE A 71 -2.572 -8.209 -3.342 1.00 0.00 C ATOM 1136 C ILE A 71 -2.680 -7.400 -2.066 1.00 0.00 C ATOM 1137 O ILE A 71 -3.132 -6.257 -2.084 1.00 0.00 O ATOM 1138 CB ILE A 71 -3.634 -9.308 -3.346 1.00 0.00 C ATOM 1139 CG1 ILE A 71 -4.003 -9.655 -4.789 1.00 0.00 C ATOM 1140 CG2 ILE A 71 -4.877 -8.857 -2.581 1.00 0.00 C ATOM 1141 CD1 ILE A 71 -5.132 -8.752 -5.267 1.00 0.00 C ATOM 0 H ILE A 71 -1.235 -9.802 -3.628 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.732 -7.557 -4.200 1.00 0.00 H new ATOM 0 HB ILE A 71 -3.230 -10.192 -2.852 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.133 -9.536 -5.435 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -4.308 -10.699 -4.854 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -5.622 -9.653 -2.595 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -4.607 -8.631 -1.549 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -5.290 -7.965 -3.052 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -5.389 -9.005 -6.296 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -6.005 -8.892 -4.629 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -4.811 -7.711 -5.219 1.00 0.00 H new ATOM 1153 N LEU A 72 -2.274 -7.995 -0.950 1.00 0.00 N ATOM 1154 CA LEU A 72 -2.353 -7.286 0.317 1.00 0.00 C ATOM 1155 C LEU A 72 -1.360 -6.142 0.371 1.00 0.00 C ATOM 1156 O LEU A 72 -1.276 -5.454 1.381 1.00 0.00 O ATOM 1157 CB LEU A 72 -2.071 -8.235 1.462 1.00 0.00 C ATOM 1158 CG LEU A 72 -3.096 -9.360 1.425 1.00 0.00 C ATOM 1159 CD1 LEU A 72 -2.376 -10.695 1.582 1.00 0.00 C ATOM 1160 CD2 LEU A 72 -4.099 -9.155 2.567 1.00 0.00 C ATOM 0 H LEU A 72 -1.897 -8.941 -0.897 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.361 -6.881 0.406 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.062 -8.640 1.378 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.124 -7.706 2.414 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.631 -9.357 0.475 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.104 -11.506 1.557 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.663 -10.822 0.768 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.846 -10.713 2.534 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.838 -9.956 2.550 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.572 -9.168 3.521 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.601 -8.195 2.443 1.00 0.00 H new ATOM 1172 N TYR A 73 -0.613 -5.947 -0.712 1.00 0.00 N ATOM 1173 CA TYR A 73 0.377 -4.878 -0.774 1.00 0.00 C ATOM 1174 C TYR A 73 1.030 -4.649 0.588 1.00 0.00 C ATOM 1175 O TYR A 73 1.321 -3.514 0.962 1.00 0.00 O ATOM 1176 CB TYR A 73 -0.277 -3.582 -1.263 1.00 0.00 C ATOM 1177 CG TYR A 73 -1.670 -3.452 -0.694 1.00 0.00 C ATOM 1178 CD1 TYR A 73 -1.856 -3.069 0.640 1.00 0.00 C ATOM 1179 CD2 TYR A 73 -2.779 -3.724 -1.503 1.00 0.00 C ATOM 1180 CE1 TYR A 73 -3.150 -2.963 1.164 1.00 0.00 C ATOM 1181 CE2 TYR A 73 -4.074 -3.616 -0.980 1.00 0.00 C ATOM 1182 CZ TYR A 73 -4.259 -3.237 0.354 1.00 0.00 C ATOM 1183 OH TYR A 73 -5.533 -3.134 0.873 1.00 0.00 O ATOM 0 H TYR A 73 -0.675 -6.515 -1.557 1.00 0.00 H new ATOM 0 HA TYR A 73 1.153 -5.179 -1.478 1.00 0.00 H new ATOM 0 HB2 TYR A 73 0.327 -2.726 -0.963 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -0.319 -3.576 -2.352 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -1.001 -2.855 1.265 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -2.636 -4.018 -2.532 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -3.293 -2.670 2.194 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -4.929 -3.825 -1.606 1.00 0.00 H new ATOM 0 HH TYR A 73 -6.188 -3.357 0.179 1.00 0.00 H new ATOM 1193 N HIS A 74 1.248 -5.734 1.332 1.00 0.00 N ATOM 1194 CA HIS A 74 1.861 -5.621 2.650 1.00 0.00 C ATOM 1195 C HIS A 74 0.931 -4.879 3.599 1.00 0.00 C ATOM 1196 O HIS A 74 1.363 -4.001 4.348 1.00 0.00 O ATOM 1197 CB HIS A 74 3.199 -4.883 2.554 1.00 0.00 C ATOM 1198 CG HIS A 74 3.950 -5.362 1.344 1.00 0.00 C ATOM 1199 ND1 HIS A 74 3.635 -4.946 0.060 1.00 0.00 N ATOM 1200 CD2 HIS A 74 5.006 -6.228 1.210 1.00 0.00 C ATOM 1201 CE1 HIS A 74 4.486 -5.559 -0.784 1.00 0.00 C ATOM 1202 NE2 HIS A 74 5.343 -6.351 -0.134 1.00 0.00 N ATOM 0 H HIS A 74 1.013 -6.685 1.048 1.00 0.00 H new ATOM 0 HA HIS A 74 2.038 -6.625 3.036 1.00 0.00 H new ATOM 0 HB2 HIS A 74 3.030 -3.808 2.488 1.00 0.00 H new ATOM 0 HB3 HIS A 74 3.788 -5.058 3.454 1.00 0.00 H new ATOM 0 HD2 HIS A 74 5.500 -6.737 2.024 1.00 0.00 H new ATOM 0 HE1 HIS A 74 4.477 -5.427 -1.856 1.00 0.00 H new ATOM 0 HE2 HIS A 74 6.085 -6.923 -0.537 1.00 0.00 H new ATOM 1211 N LEU A 75 -0.354 -5.234 3.559 1.00 0.00 N ATOM 1212 CA LEU A 75 -1.335 -4.587 4.418 1.00 0.00 C ATOM 1213 C LEU A 75 -0.885 -4.684 5.869 1.00 0.00 C ATOM 1214 O LEU A 75 -0.586 -5.775 6.358 1.00 0.00 O ATOM 1215 CB LEU A 75 -2.711 -5.255 4.249 1.00 0.00 C ATOM 1216 CG LEU A 75 -3.646 -4.894 5.419 1.00 0.00 C ATOM 1217 CD1 LEU A 75 -3.866 -3.379 5.463 1.00 0.00 C ATOM 1218 CD2 LEU A 75 -4.994 -5.588 5.222 1.00 0.00 C ATOM 0 H LEU A 75 -0.732 -5.957 2.948 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.419 -3.537 4.136 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.160 -4.938 3.308 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.590 -6.337 4.196 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.191 -5.221 6.354 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.528 -3.131 6.293 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.909 -2.876 5.600 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.318 -3.050 4.527 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.658 -5.335 6.048 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.440 -5.257 4.284 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.847 -6.668 5.193 1.00 0.00 H new ATOM 1230 N THR A 76 -0.862 -3.546 6.554 1.00 0.00 N ATOM 1231 CA THR A 76 -0.463 -3.519 7.950 1.00 0.00 C ATOM 1232 C THR A 76 -1.609 -2.995 8.829 1.00 0.00 C ATOM 1233 O THR A 76 -2.311 -2.068 8.422 1.00 0.00 O ATOM 1234 CB THR A 76 0.773 -2.620 8.098 1.00 0.00 C ATOM 1235 OG1 THR A 76 1.884 -3.415 8.494 1.00 0.00 O ATOM 1236 CG2 THR A 76 0.545 -1.523 9.146 1.00 0.00 C ATOM 0 H THR A 76 -1.114 -2.637 6.165 1.00 0.00 H new ATOM 0 HA THR A 76 -0.223 -4.531 8.276 1.00 0.00 H new ATOM 0 HB THR A 76 0.965 -2.143 7.137 1.00 0.00 H new ATOM 0 HG1 THR A 76 2.125 -3.203 9.420 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.439 -0.905 9.226 1.00 0.00 H new ATOM 0 HG22 THR A 76 -0.300 -0.903 8.846 1.00 0.00 H new ATOM 0 HG23 THR A 76 0.333 -1.981 10.112 1.00 0.00 H new ATOM 1244 N PRO A 77 -1.776 -3.515 10.031 1.00 0.00 N ATOM 1245 CA PRO A 77 -2.826 -3.024 10.963 1.00 0.00 C ATOM 1246 C PRO A 77 -2.384 -1.761 11.707 1.00 0.00 C ATOM 1247 O PRO A 77 -1.195 -1.554 11.948 1.00 0.00 O ATOM 1248 CB PRO A 77 -3.002 -4.182 11.936 1.00 0.00 C ATOM 1249 CG PRO A 77 -1.661 -4.844 11.993 1.00 0.00 C ATOM 1250 CD PRO A 77 -1.003 -4.623 10.633 1.00 0.00 C ATOM 0 HA PRO A 77 -3.743 -2.747 10.443 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.310 -3.828 12.920 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.770 -4.874 11.591 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -1.053 -4.418 12.791 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -1.764 -5.908 12.205 1.00 0.00 H new ATOM 0 HD2 PRO A 77 0.050 -4.363 10.738 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.050 -5.521 10.017 1.00 0.00 H new ATOM 1258 N GLY A 78 -3.353 -0.925 12.075 1.00 0.00 N ATOM 1259 CA GLY A 78 -3.054 0.305 12.802 1.00 0.00 C ATOM 1260 C GLY A 78 -2.508 1.378 11.868 1.00 0.00 C ATOM 1261 O GLY A 78 -1.402 1.252 11.340 1.00 0.00 O ATOM 0 H GLY A 78 -4.343 -1.076 11.883 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -3.957 0.670 13.291 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -2.327 0.099 13.588 1.00 0.00 H new ATOM 1265 N VAL A 79 -3.291 2.432 11.671 1.00 0.00 N ATOM 1266 CA VAL A 79 -2.879 3.528 10.801 1.00 0.00 C ATOM 1267 C VAL A 79 -1.521 4.075 11.233 1.00 0.00 C ATOM 1268 O VAL A 79 -1.272 4.271 12.423 1.00 0.00 O ATOM 1269 CB VAL A 79 -3.918 4.652 10.839 1.00 0.00 C ATOM 1270 CG1 VAL A 79 -5.155 4.232 10.045 1.00 0.00 C ATOM 1271 CG2 VAL A 79 -4.319 4.933 12.291 1.00 0.00 C ATOM 0 H VAL A 79 -4.209 2.551 12.099 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.799 3.144 9.784 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.490 5.553 10.399 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.894 5.033 10.073 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -4.873 4.033 9.011 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.581 3.330 10.485 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.059 5.733 12.316 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.745 4.032 12.732 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.439 5.234 12.860 1.00 0.00 H new ATOM 1281 N PHE A 80 -0.649 4.322 10.262 1.00 0.00 N ATOM 1282 CA PHE A 80 0.678 4.848 10.558 1.00 0.00 C ATOM 1283 C PHE A 80 0.598 6.337 10.884 1.00 0.00 C ATOM 1284 O PHE A 80 -0.121 7.086 10.223 1.00 0.00 O ATOM 1285 CB PHE A 80 1.606 4.639 9.362 1.00 0.00 C ATOM 1286 CG PHE A 80 2.008 5.981 8.802 1.00 0.00 C ATOM 1287 CD1 PHE A 80 1.215 6.596 7.829 1.00 0.00 C ATOM 1288 CD2 PHE A 80 3.171 6.612 9.262 1.00 0.00 C ATOM 1289 CE1 PHE A 80 1.585 7.843 7.311 1.00 0.00 C ATOM 1290 CE2 PHE A 80 3.542 7.857 8.743 1.00 0.00 C ATOM 1291 CZ PHE A 80 2.748 8.475 7.768 1.00 0.00 C ATOM 0 H PHE A 80 -0.835 4.168 9.271 1.00 0.00 H new ATOM 0 HA PHE A 80 1.075 4.314 11.421 1.00 0.00 H new ATOM 0 HB2 PHE A 80 2.490 4.080 9.667 1.00 0.00 H new ATOM 0 HB3 PHE A 80 1.104 4.048 8.596 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.317 6.110 7.477 1.00 0.00 H new ATOM 0 HD2 PHE A 80 3.781 6.138 10.017 1.00 0.00 H new ATOM 0 HE1 PHE A 80 0.973 8.318 6.558 1.00 0.00 H new ATOM 0 HE2 PHE A 80 4.441 8.342 9.094 1.00 0.00 H new ATOM 0 HZ PHE A 80 3.033 9.438 7.369 1.00 0.00 H new ATOM 1301 N ILE A 81 1.344 6.758 11.906 1.00 0.00 N ATOM 1302 CA ILE A 81 1.352 8.162 12.311 1.00 0.00 C ATOM 1303 C ILE A 81 2.760 8.741 12.210 1.00 0.00 C ATOM 1304 O ILE A 81 3.700 8.234 12.835 1.00 0.00 O ATOM 1305 CB ILE A 81 0.860 8.303 13.750 1.00 0.00 C ATOM 1306 CG1 ILE A 81 -0.562 7.744 13.859 1.00 0.00 C ATOM 1307 CG2 ILE A 81 0.867 9.781 14.153 1.00 0.00 C ATOM 1308 CD1 ILE A 81 -0.944 7.595 15.333 1.00 0.00 C ATOM 0 H ILE A 81 1.946 6.152 12.464 1.00 0.00 H new ATOM 0 HA ILE A 81 0.687 8.708 11.642 1.00 0.00 H new ATOM 0 HB ILE A 81 1.519 7.747 14.416 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -1.264 8.409 13.356 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -0.623 6.778 13.358 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.516 9.880 15.180 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.881 10.174 14.077 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.210 10.342 13.489 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.956 7.197 15.408 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.249 6.913 15.822 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.900 8.569 15.821 1.00 0.00 H new ATOM 1405 N GLY A 88 14.400 8.972 11.854 1.00 0.00 N ATOM 1406 CA GLY A 88 15.847 8.788 11.839 1.00 0.00 C ATOM 1407 C GLY A 88 16.207 7.312 11.925 1.00 0.00 C ATOM 1408 O GLY A 88 17.180 6.869 11.315 1.00 0.00 O ATOM 0 HA2 GLY A 88 16.263 9.215 10.926 1.00 0.00 H new ATOM 0 HA3 GLY A 88 16.295 9.325 12.675 1.00 0.00 H new ATOM 1412 N VAL A 89 15.419 6.555 12.688 1.00 0.00 N ATOM 1413 CA VAL A 89 15.666 5.131 12.842 1.00 0.00 C ATOM 1414 C VAL A 89 14.643 4.317 12.050 1.00 0.00 C ATOM 1415 O VAL A 89 13.486 4.717 11.921 1.00 0.00 O ATOM 1416 CB VAL A 89 15.586 4.752 14.319 1.00 0.00 C ATOM 1417 CG1 VAL A 89 16.348 5.786 15.153 1.00 0.00 C ATOM 1418 CG2 VAL A 89 14.122 4.719 14.759 1.00 0.00 C ATOM 0 H VAL A 89 14.611 6.905 13.203 1.00 0.00 H new ATOM 0 HA VAL A 89 16.662 4.909 12.459 1.00 0.00 H new ATOM 0 HB VAL A 89 16.031 3.768 14.466 1.00 0.00 H new ATOM 0 HG11 VAL A 89 16.291 5.516 16.208 1.00 0.00 H new ATOM 0 HG12 VAL A 89 17.392 5.808 14.840 1.00 0.00 H new ATOM 0 HG13 VAL A 89 15.904 6.771 15.006 1.00 0.00 H new ATOM 0 HG21 VAL A 89 14.065 4.448 15.813 1.00 0.00 H new ATOM 0 HG22 VAL A 89 13.676 5.703 14.612 1.00 0.00 H new ATOM 0 HG23 VAL A 89 13.580 3.982 14.166 1.00 0.00 H new ATOM 1428 N THR A 90 15.077 3.175 11.524 1.00 0.00 N ATOM 1429 CA THR A 90 14.189 2.312 10.747 1.00 0.00 C ATOM 1430 C THR A 90 13.242 1.555 11.676 1.00 0.00 C ATOM 1431 O THR A 90 13.618 1.176 12.786 1.00 0.00 O ATOM 1432 CB THR A 90 15.015 1.313 9.932 1.00 0.00 C ATOM 1433 OG1 THR A 90 16.365 1.752 9.877 1.00 0.00 O ATOM 1434 CG2 THR A 90 14.452 1.215 8.512 1.00 0.00 C ATOM 0 H THR A 90 16.031 2.826 11.620 1.00 0.00 H new ATOM 0 HA THR A 90 13.602 2.933 10.070 1.00 0.00 H new ATOM 0 HB THR A 90 14.968 0.333 10.406 1.00 0.00 H new ATOM 0 HG1 THR A 90 16.869 1.354 10.617 1.00 0.00 H new ATOM 0 HG21 THR A 90 15.042 0.503 7.935 1.00 0.00 H new ATOM 0 HG22 THR A 90 13.416 0.878 8.554 1.00 0.00 H new ATOM 0 HG23 THR A 90 14.496 2.194 8.035 1.00 0.00 H new ATOM 1442 N ASN A 91 12.012 1.343 11.213 1.00 0.00 N ATOM 1443 CA ASN A 91 11.010 0.634 12.006 1.00 0.00 C ATOM 1444 C ASN A 91 10.635 -0.688 11.340 1.00 0.00 C ATOM 1445 O ASN A 91 9.931 -0.707 10.330 1.00 0.00 O ATOM 1446 CB ASN A 91 9.764 1.509 12.164 1.00 0.00 C ATOM 1447 CG ASN A 91 10.163 2.935 12.540 1.00 0.00 C ATOM 1448 OD1 ASN A 91 9.571 3.895 12.050 1.00 0.00 O ATOM 1449 ND2 ASN A 91 11.137 3.132 13.387 1.00 0.00 N ATOM 0 H ASN A 91 11.686 1.650 10.297 1.00 0.00 H new ATOM 0 HA ASN A 91 11.430 0.420 12.989 1.00 0.00 H new ATOM 0 HB2 ASN A 91 9.196 1.516 11.234 1.00 0.00 H new ATOM 0 HB3 ASN A 91 9.113 1.092 12.932 1.00 0.00 H new ATOM 0 HD21 ASN A 91 11.407 4.082 13.642 1.00 0.00 H new ATOM 0 HD22 ASN A 91 11.628 2.336 13.794 1.00 0.00 H new ATOM 1456 N ILE A 92 11.117 -1.790 11.904 1.00 0.00 N ATOM 1457 CA ILE A 92 10.833 -3.115 11.352 1.00 0.00 C ATOM 1458 C ILE A 92 9.608 -3.718 12.022 1.00 0.00 C ATOM 1459 O ILE A 92 9.590 -3.947 13.234 1.00 0.00 O ATOM 1460 CB ILE A 92 12.034 -4.033 11.547 1.00 0.00 C ATOM 1461 CG1 ILE A 92 13.332 -3.235 11.332 1.00 0.00 C ATOM 1462 CG2 ILE A 92 11.943 -5.186 10.544 1.00 0.00 C ATOM 1463 CD1 ILE A 92 13.302 -2.531 9.971 1.00 0.00 C ATOM 0 H ILE A 92 11.703 -1.796 12.739 1.00 0.00 H new ATOM 0 HA ILE A 92 10.634 -3.010 10.286 1.00 0.00 H new ATOM 0 HB ILE A 92 12.038 -4.436 12.560 1.00 0.00 H new ATOM 0 HG12 ILE A 92 13.451 -2.499 12.127 1.00 0.00 H new ATOM 0 HG13 ILE A 92 14.191 -3.903 11.385 1.00 0.00 H new ATOM 0 HG21 ILE A 92 12.798 -5.850 10.674 1.00 0.00 H new ATOM 0 HG22 ILE A 92 11.022 -5.743 10.713 1.00 0.00 H new ATOM 0 HG23 ILE A 92 11.945 -4.787 9.530 1.00 0.00 H new ATOM 0 HD11 ILE A 92 14.226 -1.970 9.831 1.00 0.00 H new ATOM 0 HD12 ILE A 92 13.205 -3.274 9.179 1.00 0.00 H new ATOM 0 HD13 ILE A 92 12.453 -1.848 9.933 1.00 0.00 H new ATOM 1475 N LEU A 93 8.579 -3.964 11.225 1.00 0.00 N ATOM 1476 CA LEU A 93 7.339 -4.532 11.744 1.00 0.00 C ATOM 1477 C LEU A 93 6.775 -5.593 10.811 1.00 0.00 C ATOM 1478 O LEU A 93 7.141 -5.670 9.635 1.00 0.00 O ATOM 1479 CB LEU A 93 6.303 -3.447 12.054 1.00 0.00 C ATOM 1480 CG LEU A 93 5.724 -2.838 10.789 1.00 0.00 C ATOM 1481 CD1 LEU A 93 6.854 -2.474 9.853 1.00 0.00 C ATOM 1482 CD2 LEU A 93 4.746 -3.796 10.086 1.00 0.00 C ATOM 0 H LEU A 93 8.575 -3.781 10.222 1.00 0.00 H new ATOM 0 HA LEU A 93 7.582 -5.024 12.686 1.00 0.00 H new ATOM 0 HB2 LEU A 93 5.498 -3.874 12.652 1.00 0.00 H new ATOM 0 HB3 LEU A 93 6.766 -2.664 12.655 1.00 0.00 H new ATOM 0 HG LEU A 93 5.162 -1.946 11.066 1.00 0.00 H new ATOM 0 HD11 LEU A 93 6.445 -2.036 8.942 1.00 0.00 H new ATOM 0 HD12 LEU A 93 7.511 -1.753 10.339 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.421 -3.370 9.602 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.355 -3.321 9.186 1.00 0.00 H new ATOM 0 HD22 LEU A 93 5.268 -4.714 9.815 1.00 0.00 H new ATOM 0 HD23 LEU A 93 3.922 -4.033 10.759 1.00 0.00 H new ATOM 1494 N LYS A 94 5.887 -6.415 11.344 1.00 0.00 N ATOM 1495 CA LYS A 94 5.269 -7.470 10.562 1.00 0.00 C ATOM 1496 C LYS A 94 3.899 -7.046 10.049 1.00 0.00 C ATOM 1497 O LYS A 94 3.088 -6.493 10.793 1.00 0.00 O ATOM 1498 CB LYS A 94 5.133 -8.736 11.399 1.00 0.00 C ATOM 1499 CG LYS A 94 6.049 -9.818 10.822 1.00 0.00 C ATOM 1500 CD LYS A 94 5.919 -11.103 11.638 1.00 0.00 C ATOM 1501 CE LYS A 94 6.758 -12.207 10.988 1.00 0.00 C ATOM 1502 NZ LYS A 94 5.862 -13.307 10.534 1.00 0.00 N ATOM 0 H LYS A 94 5.578 -6.371 12.315 1.00 0.00 H new ATOM 0 HA LYS A 94 5.912 -7.669 9.704 1.00 0.00 H new ATOM 0 HB2 LYS A 94 5.399 -8.532 12.436 1.00 0.00 H new ATOM 0 HB3 LYS A 94 4.098 -9.079 11.397 1.00 0.00 H new ATOM 0 HG2 LYS A 94 5.788 -10.010 9.781 1.00 0.00 H new ATOM 0 HG3 LYS A 94 7.083 -9.474 10.832 1.00 0.00 H new ATOM 0 HD2 LYS A 94 6.253 -10.932 12.661 1.00 0.00 H new ATOM 0 HD3 LYS A 94 4.874 -11.409 11.691 1.00 0.00 H new ATOM 0 HE2 LYS A 94 7.316 -11.805 10.142 1.00 0.00 H new ATOM 0 HE3 LYS A 94 7.490 -12.589 11.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 6.394 -14.200 10.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 5.063 -13.399 11.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 5.502 -13.091 9.583 1.00 0.00 H new ATOM 1516 N THR A 95 3.645 -7.312 8.770 1.00 0.00 N ATOM 1517 CA THR A 95 2.366 -6.958 8.166 1.00 0.00 C ATOM 1518 C THR A 95 1.453 -8.181 8.100 1.00 0.00 C ATOM 1519 O THR A 95 1.889 -9.304 8.355 1.00 0.00 O ATOM 1520 CB THR A 95 2.580 -6.402 6.753 1.00 0.00 C ATOM 1521 OG1 THR A 95 2.714 -7.484 5.840 1.00 0.00 O ATOM 1522 CG2 THR A 95 3.847 -5.544 6.719 1.00 0.00 C ATOM 0 H THR A 95 4.303 -7.768 8.137 1.00 0.00 H new ATOM 0 HA THR A 95 1.895 -6.193 8.784 1.00 0.00 H new ATOM 0 HB THR A 95 1.725 -5.787 6.472 1.00 0.00 H new ATOM 0 HG1 THR A 95 3.539 -7.976 6.035 1.00 0.00 H new ATOM 0 HG21 THR A 95 3.994 -5.152 5.713 1.00 0.00 H new ATOM 0 HG22 THR A 95 3.744 -4.716 7.420 1.00 0.00 H new ATOM 0 HG23 THR A 95 4.706 -6.153 7.000 1.00 0.00 H new ATOM 1530 N THR A 96 0.190 -7.957 7.756 1.00 0.00 N ATOM 1531 CA THR A 96 -0.768 -9.053 7.663 1.00 0.00 C ATOM 1532 C THR A 96 -0.344 -10.042 6.579 1.00 0.00 C ATOM 1533 O THR A 96 -0.612 -11.239 6.679 1.00 0.00 O ATOM 1534 CB THR A 96 -2.172 -8.505 7.370 1.00 0.00 C ATOM 1535 OG1 THR A 96 -3.135 -9.296 8.051 1.00 0.00 O ATOM 1536 CG2 THR A 96 -2.453 -8.544 5.871 1.00 0.00 C ATOM 0 H THR A 96 -0.192 -7.037 7.539 1.00 0.00 H new ATOM 0 HA THR A 96 -0.791 -9.579 8.618 1.00 0.00 H new ATOM 0 HB THR A 96 -2.229 -7.472 7.713 1.00 0.00 H new ATOM 0 HG1 THR A 96 -4.033 -8.948 7.868 1.00 0.00 H new ATOM 0 HG21 THR A 96 -3.452 -8.153 5.678 1.00 0.00 H new ATOM 0 HG22 THR A 96 -1.717 -7.935 5.347 1.00 0.00 H new ATOM 0 HG23 THR A 96 -2.391 -9.573 5.516 1.00 0.00 H new ATOM 1544 N GLN A 97 0.311 -9.534 5.538 1.00 0.00 N ATOM 1545 CA GLN A 97 0.757 -10.380 4.442 1.00 0.00 C ATOM 1546 C GLN A 97 1.609 -11.535 4.967 1.00 0.00 C ATOM 1547 O GLN A 97 1.620 -12.619 4.383 1.00 0.00 O ATOM 1548 CB GLN A 97 1.573 -9.545 3.454 1.00 0.00 C ATOM 1549 CG GLN A 97 1.917 -10.386 2.223 1.00 0.00 C ATOM 1550 CD GLN A 97 3.131 -11.265 2.509 1.00 0.00 C ATOM 1551 OE1 GLN A 97 4.277 -10.709 2.787 1.00 0.00 O flip ATOM 1552 NE2 GLN A 97 3.030 -12.492 2.477 1.00 0.00 N flip ATOM 0 H GLN A 97 0.542 -8.546 5.433 1.00 0.00 H new ATOM 0 HA GLN A 97 -0.117 -10.794 3.939 1.00 0.00 H new ATOM 0 HB2 GLN A 97 1.007 -8.662 3.156 1.00 0.00 H new ATOM 0 HB3 GLN A 97 2.487 -9.191 3.931 1.00 0.00 H new ATOM 0 HG2 GLN A 97 1.065 -11.008 1.949 1.00 0.00 H new ATOM 0 HG3 GLN A 97 2.123 -9.734 1.374 1.00 0.00 H new ATOM 0 HE21 GLN A 97 2.132 -12.924 2.259 1.00 0.00 H new ATOM 0 HE22 GLN A 97 3.844 -13.076 2.668 1.00 0.00 H new ATOM 1561 N GLY A 98 2.313 -11.295 6.074 1.00 0.00 N ATOM 1562 CA GLY A 98 3.157 -12.325 6.673 1.00 0.00 C ATOM 1563 C GLY A 98 4.614 -11.880 6.738 1.00 0.00 C ATOM 1564 O GLY A 98 5.355 -12.284 7.634 1.00 0.00 O ATOM 0 H GLY A 98 2.315 -10.403 6.569 1.00 0.00 H new ATOM 0 HA2 GLY A 98 2.799 -12.553 7.677 1.00 0.00 H new ATOM 0 HA3 GLY A 98 3.081 -13.244 6.092 1.00 0.00 H new ATOM 1568 N SER A 99 5.022 -11.053 5.779 1.00 0.00 N ATOM 1569 CA SER A 99 6.399 -10.568 5.740 1.00 0.00 C ATOM 1570 C SER A 99 6.551 -9.286 6.552 1.00 0.00 C ATOM 1571 O SER A 99 5.562 -8.733 7.039 1.00 0.00 O ATOM 1572 CB SER A 99 6.819 -10.302 4.295 1.00 0.00 C ATOM 1573 OG SER A 99 6.010 -9.264 3.756 1.00 0.00 O ATOM 0 H SER A 99 4.427 -10.708 5.026 1.00 0.00 H new ATOM 0 HA SER A 99 7.039 -11.336 6.175 1.00 0.00 H new ATOM 0 HB2 SER A 99 7.870 -10.017 4.256 1.00 0.00 H new ATOM 0 HB3 SER A 99 6.712 -11.209 3.700 1.00 0.00 H new ATOM 0 HG SER A 99 5.276 -9.657 3.239 1.00 0.00 H new ATOM 1579 N LYS A 100 7.793 -8.820 6.689 1.00 0.00 N ATOM 1580 CA LYS A 100 8.065 -7.600 7.443 1.00 0.00 C ATOM 1581 C LYS A 100 8.509 -6.482 6.523 1.00 0.00 C ATOM 1582 O LYS A 100 9.215 -6.716 5.542 1.00 0.00 O ATOM 1583 CB LYS A 100 9.149 -7.843 8.493 1.00 0.00 C ATOM 1584 CG LYS A 100 10.168 -8.845 7.938 1.00 0.00 C ATOM 1585 CD LYS A 100 11.490 -8.711 8.695 1.00 0.00 C ATOM 1586 CE LYS A 100 12.432 -9.844 8.278 1.00 0.00 C ATOM 1587 NZ LYS A 100 11.958 -11.130 8.865 1.00 0.00 N ATOM 0 H LYS A 100 8.619 -9.266 6.291 1.00 0.00 H new ATOM 0 HA LYS A 100 7.139 -7.309 7.939 1.00 0.00 H new ATOM 0 HB2 LYS A 100 9.643 -6.905 8.747 1.00 0.00 H new ATOM 0 HB3 LYS A 100 8.704 -8.228 9.411 1.00 0.00 H new ATOM 0 HG2 LYS A 100 9.784 -9.860 8.035 1.00 0.00 H new ATOM 0 HG3 LYS A 100 10.327 -8.665 6.875 1.00 0.00 H new ATOM 0 HD2 LYS A 100 11.948 -7.745 8.481 1.00 0.00 H new ATOM 0 HD3 LYS A 100 11.312 -8.748 9.770 1.00 0.00 H new ATOM 0 HE2 LYS A 100 12.467 -9.920 7.191 1.00 0.00 H new ATOM 0 HE3 LYS A 100 13.446 -9.630 8.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 12.736 -11.820 8.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 11.640 -10.969 9.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 11.167 -11.499 8.300 1.00 0.00 H new ATOM 1601 N ILE A 101 8.097 -5.264 6.860 1.00 0.00 N ATOM 1602 CA ILE A 101 8.463 -4.099 6.069 1.00 0.00 C ATOM 1603 C ILE A 101 9.224 -3.094 6.932 1.00 0.00 C ATOM 1604 O ILE A 101 9.032 -3.013 8.152 1.00 0.00 O ATOM 1605 CB ILE A 101 7.206 -3.460 5.462 1.00 0.00 C ATOM 1606 CG1 ILE A 101 7.597 -2.244 4.618 1.00 0.00 C ATOM 1607 CG2 ILE A 101 6.265 -3.022 6.572 1.00 0.00 C ATOM 1608 CD1 ILE A 101 6.355 -1.701 3.898 1.00 0.00 C ATOM 0 H ILE A 101 7.513 -5.061 7.671 1.00 0.00 H new ATOM 0 HA ILE A 101 9.117 -4.411 5.254 1.00 0.00 H new ATOM 0 HB ILE A 101 6.705 -4.193 4.830 1.00 0.00 H new ATOM 0 HG12 ILE A 101 8.030 -1.471 5.253 1.00 0.00 H new ATOM 0 HG13 ILE A 101 8.360 -2.523 3.891 1.00 0.00 H new ATOM 0 HG21 ILE A 101 5.374 -2.569 6.136 1.00 0.00 H new ATOM 0 HG22 ILE A 101 5.977 -3.888 7.168 1.00 0.00 H new ATOM 0 HG23 ILE A 101 6.768 -2.294 7.209 1.00 0.00 H new ATOM 0 HD11 ILE A 101 6.632 -0.835 3.297 1.00 0.00 H new ATOM 0 HD12 ILE A 101 5.942 -2.475 3.251 1.00 0.00 H new ATOM 0 HD13 ILE A 101 5.607 -1.407 4.634 1.00 0.00 H new ATOM 1620 N PHE A 102 10.117 -2.357 6.288 1.00 0.00 N ATOM 1621 CA PHE A 102 10.934 -1.367 6.977 1.00 0.00 C ATOM 1622 C PHE A 102 10.361 0.026 6.770 1.00 0.00 C ATOM 1623 O PHE A 102 10.255 0.498 5.634 1.00 0.00 O ATOM 1624 CB PHE A 102 12.373 -1.416 6.456 1.00 0.00 C ATOM 1625 CG PHE A 102 12.686 -2.802 5.934 1.00 0.00 C ATOM 1626 CD1 PHE A 102 13.451 -2.953 4.772 1.00 0.00 C ATOM 1627 CD2 PHE A 102 12.215 -3.935 6.610 1.00 0.00 C ATOM 1628 CE1 PHE A 102 13.745 -4.234 4.288 1.00 0.00 C ATOM 1629 CE2 PHE A 102 12.505 -5.212 6.127 1.00 0.00 C ATOM 1630 CZ PHE A 102 13.271 -5.363 4.966 1.00 0.00 C ATOM 0 H PHE A 102 10.295 -2.426 5.286 1.00 0.00 H new ATOM 0 HA PHE A 102 10.932 -1.597 8.043 1.00 0.00 H new ATOM 0 HB2 PHE A 102 12.507 -0.681 5.663 1.00 0.00 H new ATOM 0 HB3 PHE A 102 13.067 -1.153 7.254 1.00 0.00 H new ATOM 0 HD1 PHE A 102 13.815 -2.081 4.248 1.00 0.00 H new ATOM 0 HD2 PHE A 102 11.626 -3.820 7.508 1.00 0.00 H new ATOM 0 HE1 PHE A 102 14.337 -4.351 3.392 1.00 0.00 H new ATOM 0 HE2 PHE A 102 12.138 -6.083 6.649 1.00 0.00 H new ATOM 0 HZ PHE A 102 13.497 -6.351 4.593 1.00 0.00 H new ATOM 1640 N LEU A 103 9.989 0.680 7.864 1.00 0.00 N ATOM 1641 CA LEU A 103 9.424 2.021 7.785 1.00 0.00 C ATOM 1642 C LEU A 103 10.361 3.033 8.431 1.00 0.00 C ATOM 1643 O LEU A 103 10.831 2.832 9.550 1.00 0.00 O ATOM 1644 CB LEU A 103 8.072 2.058 8.499 1.00 0.00 C ATOM 1645 CG LEU A 103 6.930 1.861 7.496 1.00 0.00 C ATOM 1646 CD1 LEU A 103 6.778 3.097 6.610 1.00 0.00 C ATOM 1647 CD2 LEU A 103 7.208 0.629 6.629 1.00 0.00 C ATOM 0 H LEU A 103 10.068 0.307 8.810 1.00 0.00 H new ATOM 0 HA LEU A 103 9.292 2.278 6.734 1.00 0.00 H new ATOM 0 HB2 LEU A 103 8.034 1.278 9.260 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.952 3.011 9.013 1.00 0.00 H new ATOM 0 HG LEU A 103 6.002 1.712 8.047 1.00 0.00 H new ATOM 0 HD11 LEU A 103 5.963 2.940 5.904 1.00 0.00 H new ATOM 0 HD12 LEU A 103 6.558 3.965 7.231 1.00 0.00 H new ATOM 0 HD13 LEU A 103 7.705 3.268 6.062 1.00 0.00 H new ATOM 0 HD21 LEU A 103 6.393 0.493 5.918 1.00 0.00 H new ATOM 0 HD22 LEU A 103 8.143 0.769 6.087 1.00 0.00 H new ATOM 0 HD23 LEU A 103 7.285 -0.253 7.265 1.00 0.00 H new ATOM 1659 N LYS A 104 10.629 4.120 7.715 1.00 0.00 N ATOM 1660 CA LYS A 104 11.513 5.157 8.225 1.00 0.00 C ATOM 1661 C LYS A 104 10.987 6.537 7.845 1.00 0.00 C ATOM 1662 O LYS A 104 10.629 6.780 6.694 1.00 0.00 O ATOM 1663 CB LYS A 104 12.919 4.968 7.662 1.00 0.00 C ATOM 1664 CG LYS A 104 13.794 6.156 8.064 1.00 0.00 C ATOM 1665 CD LYS A 104 15.269 5.811 7.836 1.00 0.00 C ATOM 1666 CE LYS A 104 15.845 5.112 9.070 1.00 0.00 C ATOM 1667 NZ LYS A 104 17.310 4.910 8.888 1.00 0.00 N ATOM 0 H LYS A 104 10.249 4.303 6.786 1.00 0.00 H new ATOM 0 HA LYS A 104 11.548 5.080 9.312 1.00 0.00 H new ATOM 0 HB2 LYS A 104 13.351 4.041 8.038 1.00 0.00 H new ATOM 0 HB3 LYS A 104 12.879 4.883 6.576 1.00 0.00 H new ATOM 0 HG2 LYS A 104 13.522 7.035 7.480 1.00 0.00 H new ATOM 0 HG3 LYS A 104 13.627 6.405 9.112 1.00 0.00 H new ATOM 0 HD2 LYS A 104 15.368 5.165 6.964 1.00 0.00 H new ATOM 0 HD3 LYS A 104 15.834 6.719 7.626 1.00 0.00 H new ATOM 0 HE2 LYS A 104 15.658 5.711 9.961 1.00 0.00 H new ATOM 0 HE3 LYS A 104 15.351 4.152 9.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 17.535 3.899 8.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 17.592 5.245 7.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 17.827 5.446 9.614 1.00 0.00 H new ATOM 1681 N GLU A 105 10.939 7.432 8.828 1.00 0.00 N ATOM 1682 CA GLU A 105 10.452 8.788 8.600 1.00 0.00 C ATOM 1683 C GLU A 105 11.557 9.810 8.851 1.00 0.00 C ATOM 1684 O GLU A 105 12.201 9.802 9.898 1.00 0.00 O ATOM 1685 CB GLU A 105 9.273 9.078 9.533 1.00 0.00 C ATOM 1686 CG GLU A 105 8.246 9.942 8.800 1.00 0.00 C ATOM 1687 CD GLU A 105 7.282 10.570 9.800 1.00 0.00 C ATOM 1688 OE1 GLU A 105 7.399 10.267 10.976 1.00 0.00 O ATOM 1689 OE2 GLU A 105 6.442 11.345 9.376 1.00 0.00 O ATOM 0 H GLU A 105 11.231 7.243 9.787 1.00 0.00 H new ATOM 0 HA GLU A 105 10.130 8.867 7.561 1.00 0.00 H new ATOM 0 HB2 GLU A 105 8.814 8.144 9.858 1.00 0.00 H new ATOM 0 HB3 GLU A 105 9.622 9.590 10.430 1.00 0.00 H new ATOM 0 HG2 GLU A 105 8.754 10.722 8.233 1.00 0.00 H new ATOM 0 HG3 GLU A 105 7.694 9.335 8.083 1.00 0.00 H new ATOM 1696 N VAL A 106 11.769 10.691 7.881 1.00 0.00 N ATOM 1697 CA VAL A 106 12.796 11.720 8.007 1.00 0.00 C ATOM 1698 C VAL A 106 12.333 13.020 7.361 1.00 0.00 C ATOM 1699 O VAL A 106 11.634 13.007 6.349 1.00 0.00 O ATOM 1700 CB VAL A 106 14.089 11.254 7.343 1.00 0.00 C ATOM 1701 CG1 VAL A 106 15.018 12.452 7.138 1.00 0.00 C ATOM 1702 CG2 VAL A 106 14.769 10.223 8.242 1.00 0.00 C ATOM 0 H VAL A 106 11.248 10.715 7.004 1.00 0.00 H new ATOM 0 HA VAL A 106 12.976 11.896 9.067 1.00 0.00 H new ATOM 0 HB VAL A 106 13.866 10.804 6.376 1.00 0.00 H new ATOM 0 HG11 VAL A 106 15.941 12.119 6.664 1.00 0.00 H new ATOM 0 HG12 VAL A 106 14.528 13.188 6.501 1.00 0.00 H new ATOM 0 HG13 VAL A 106 15.248 12.903 8.103 1.00 0.00 H new ATOM 0 HG21 VAL A 106 15.694 9.886 7.774 1.00 0.00 H new ATOM 0 HG22 VAL A 106 14.995 10.675 9.208 1.00 0.00 H new ATOM 0 HG23 VAL A 106 14.104 9.372 8.387 1.00 0.00 H new ATOM 1712 N ASN A 107 12.729 14.142 7.951 1.00 0.00 N ATOM 1713 CA ASN A 107 12.348 15.447 7.423 1.00 0.00 C ATOM 1714 C ASN A 107 10.890 15.445 6.977 1.00 0.00 C ATOM 1715 O ASN A 107 10.590 15.703 5.812 1.00 0.00 O ATOM 1716 CB ASN A 107 13.242 15.808 6.235 1.00 0.00 C ATOM 1717 CG ASN A 107 14.697 15.887 6.682 1.00 0.00 C ATOM 1718 OD1 ASN A 107 14.983 15.852 7.879 1.00 0.00 O ATOM 1719 ND2 ASN A 107 15.639 15.996 5.787 1.00 0.00 N ATOM 0 H ASN A 107 13.309 14.175 8.789 1.00 0.00 H new ATOM 0 HA ASN A 107 12.472 16.186 8.214 1.00 0.00 H new ATOM 0 HB2 ASN A 107 13.135 15.061 5.449 1.00 0.00 H new ATOM 0 HB3 ASN A 107 12.931 16.763 5.812 1.00 0.00 H new ATOM 0 HD21 ASN A 107 16.615 16.052 6.078 1.00 0.00 H new ATOM 0 HD22 ASN A 107 15.400 16.025 4.796 1.00 0.00 H new ATOM 1726 N ASP A 108 9.991 15.152 7.911 1.00 0.00 N ATOM 1727 CA ASP A 108 8.564 15.122 7.605 1.00 0.00 C ATOM 1728 C ASP A 108 8.312 14.432 6.268 1.00 0.00 C ATOM 1729 O ASP A 108 7.453 14.857 5.495 1.00 0.00 O ATOM 1730 CB ASP A 108 8.000 16.547 7.570 1.00 0.00 C ATOM 1731 CG ASP A 108 8.789 17.405 6.587 1.00 0.00 C ATOM 1732 OD1 ASP A 108 9.821 17.924 6.980 1.00 0.00 O ATOM 1733 OD2 ASP A 108 8.353 17.526 5.455 1.00 0.00 O ATOM 0 H ASP A 108 10.222 14.933 8.880 1.00 0.00 H new ATOM 0 HA ASP A 108 8.059 14.557 8.388 1.00 0.00 H new ATOM 0 HB2 ASP A 108 6.950 16.523 7.280 1.00 0.00 H new ATOM 0 HB3 ASP A 108 8.046 16.988 8.566 1.00 0.00 H new ATOM 1738 N THR A 109 9.066 13.369 6.003 1.00 0.00 N ATOM 1739 CA THR A 109 8.919 12.627 4.755 1.00 0.00 C ATOM 1740 C THR A 109 8.840 11.131 5.025 1.00 0.00 C ATOM 1741 O THR A 109 9.700 10.571 5.710 1.00 0.00 O ATOM 1742 CB THR A 109 10.105 12.907 3.836 1.00 0.00 C ATOM 1743 OG1 THR A 109 10.381 14.301 3.839 1.00 0.00 O ATOM 1744 CG2 THR A 109 9.769 12.455 2.414 1.00 0.00 C ATOM 0 H THR A 109 9.781 13.004 6.632 1.00 0.00 H new ATOM 0 HA THR A 109 7.996 12.952 4.274 1.00 0.00 H new ATOM 0 HB THR A 109 10.979 12.360 4.190 1.00 0.00 H new ATOM 0 HG1 THR A 109 10.804 14.549 4.687 1.00 0.00 H new ATOM 0 HG21 THR A 109 10.617 12.655 1.759 1.00 0.00 H new ATOM 0 HG22 THR A 109 9.554 11.386 2.413 1.00 0.00 H new ATOM 0 HG23 THR A 109 8.896 13.001 2.055 1.00 0.00 H new ATOM 1752 N LEU A 110 7.813 10.488 4.481 1.00 0.00 N ATOM 1753 CA LEU A 110 7.643 9.061 4.672 1.00 0.00 C ATOM 1754 C LEU A 110 8.548 8.286 3.722 1.00 0.00 C ATOM 1755 O LEU A 110 8.368 8.315 2.495 1.00 0.00 O ATOM 1756 CB LEU A 110 6.188 8.672 4.423 1.00 0.00 C ATOM 1757 CG LEU A 110 5.814 7.472 5.299 1.00 0.00 C ATOM 1758 CD1 LEU A 110 4.413 6.989 4.931 1.00 0.00 C ATOM 1759 CD2 LEU A 110 6.799 6.325 5.072 1.00 0.00 C ATOM 0 H LEU A 110 7.094 10.931 3.910 1.00 0.00 H new ATOM 0 HA LEU A 110 7.914 8.814 5.699 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.534 9.515 4.646 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.043 8.425 3.371 1.00 0.00 H new ATOM 0 HG LEU A 110 5.846 7.780 6.344 1.00 0.00 H new ATOM 0 HD11 LEU A 110 4.147 6.135 5.554 1.00 0.00 H new ATOM 0 HD12 LEU A 110 3.696 7.794 5.093 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.394 6.692 3.882 1.00 0.00 H new ATOM 0 HD21 LEU A 110 6.522 5.478 5.700 1.00 0.00 H new ATOM 0 HD22 LEU A 110 6.772 6.024 4.025 1.00 0.00 H new ATOM 0 HD23 LEU A 110 7.806 6.654 5.329 1.00 0.00 H new ATOM 1771 N LEU A 111 9.521 7.587 4.299 1.00 0.00 N ATOM 1772 CA LEU A 111 10.452 6.796 3.515 1.00 0.00 C ATOM 1773 C LEU A 111 10.311 5.321 3.865 1.00 0.00 C ATOM 1774 O LEU A 111 10.542 4.910 5.001 1.00 0.00 O ATOM 1775 CB LEU A 111 11.889 7.270 3.762 1.00 0.00 C ATOM 1776 CG LEU A 111 12.008 8.760 3.416 1.00 0.00 C ATOM 1777 CD1 LEU A 111 13.449 9.208 3.553 1.00 0.00 C ATOM 1778 CD2 LEU A 111 11.589 8.995 1.970 1.00 0.00 C ATOM 0 H LEU A 111 9.682 7.555 5.306 1.00 0.00 H new ATOM 0 HA LEU A 111 10.221 6.926 2.458 1.00 0.00 H new ATOM 0 HB2 LEU A 111 12.162 7.106 4.804 1.00 0.00 H new ATOM 0 HB3 LEU A 111 12.583 6.689 3.155 1.00 0.00 H new ATOM 0 HG LEU A 111 11.365 9.320 4.096 1.00 0.00 H new ATOM 0 HD11 LEU A 111 13.526 10.267 3.306 1.00 0.00 H new ATOM 0 HD12 LEU A 111 13.783 9.050 4.578 1.00 0.00 H new ATOM 0 HD13 LEU A 111 14.076 8.630 2.874 1.00 0.00 H new ATOM 0 HD21 LEU A 111 11.677 10.055 1.734 1.00 0.00 H new ATOM 0 HD22 LEU A 111 12.235 8.420 1.306 1.00 0.00 H new ATOM 0 HD23 LEU A 111 10.555 8.677 1.835 1.00 0.00 H new ATOM 1790 N VAL A 112 9.923 4.534 2.872 1.00 0.00 N ATOM 1791 CA VAL A 112 9.736 3.098 3.058 1.00 0.00 C ATOM 1792 C VAL A 112 10.769 2.323 2.234 1.00 0.00 C ATOM 1793 O VAL A 112 11.058 2.675 1.095 1.00 0.00 O ATOM 1794 CB VAL A 112 8.311 2.677 2.647 1.00 0.00 C ATOM 1795 CG1 VAL A 112 7.765 3.569 1.516 1.00 0.00 C ATOM 1796 CG2 VAL A 112 8.325 1.214 2.193 1.00 0.00 C ATOM 0 H VAL A 112 9.731 4.864 1.926 1.00 0.00 H new ATOM 0 HA VAL A 112 9.874 2.866 4.114 1.00 0.00 H new ATOM 0 HB VAL A 112 7.656 2.793 3.511 1.00 0.00 H new ATOM 0 HG11 VAL A 112 6.759 3.245 1.251 1.00 0.00 H new ATOM 0 HG12 VAL A 112 7.736 4.605 1.852 1.00 0.00 H new ATOM 0 HG13 VAL A 112 8.414 3.489 0.644 1.00 0.00 H new ATOM 0 HG21 VAL A 112 7.318 0.914 1.902 1.00 0.00 H new ATOM 0 HG22 VAL A 112 8.997 1.104 1.342 1.00 0.00 H new ATOM 0 HG23 VAL A 112 8.669 0.582 3.012 1.00 0.00 H new ATOM 1806 N ASN A 113 11.317 1.262 2.816 1.00 0.00 N ATOM 1807 CA ASN A 113 12.307 0.451 2.117 1.00 0.00 C ATOM 1808 C ASN A 113 13.417 1.328 1.546 1.00 0.00 C ATOM 1809 O ASN A 113 14.179 0.892 0.681 1.00 0.00 O ATOM 1810 CB ASN A 113 11.631 -0.319 0.980 1.00 0.00 C ATOM 1811 CG ASN A 113 12.089 -1.773 0.989 1.00 0.00 C ATOM 1812 OD1 ASN A 113 12.126 -2.406 2.044 1.00 0.00 O ATOM 1813 ND2 ASN A 113 12.441 -2.343 -0.130 1.00 0.00 N ATOM 0 H ASN A 113 11.096 0.946 3.760 1.00 0.00 H new ATOM 0 HA ASN A 113 12.745 -0.249 2.828 1.00 0.00 H new ATOM 0 HB2 ASN A 113 10.548 -0.270 1.091 1.00 0.00 H new ATOM 0 HB3 ASN A 113 11.875 0.142 0.023 1.00 0.00 H new ATOM 0 HD21 ASN A 113 12.748 -3.316 -0.132 1.00 0.00 H new ATOM 0 HD22 ASN A 113 12.409 -1.816 -1.003 1.00 0.00 H new ATOM 1820 N GLU A 114 13.503 2.561 2.034 1.00 0.00 N ATOM 1821 CA GLU A 114 14.525 3.493 1.566 1.00 0.00 C ATOM 1822 C GLU A 114 14.113 4.124 0.239 1.00 0.00 C ATOM 1823 O GLU A 114 14.892 4.158 -0.716 1.00 0.00 O ATOM 1824 CB GLU A 114 15.863 2.766 1.401 1.00 0.00 C ATOM 1825 CG GLU A 114 17.012 3.738 1.683 1.00 0.00 C ATOM 1826 CD GLU A 114 16.945 4.920 0.723 1.00 0.00 C ATOM 1827 OE1 GLU A 114 17.741 4.954 -0.201 1.00 0.00 O ATOM 1828 OE2 GLU A 114 16.096 5.773 0.923 1.00 0.00 O ATOM 0 H GLU A 114 12.881 2.938 2.750 1.00 0.00 H new ATOM 0 HA GLU A 114 14.634 4.284 2.308 1.00 0.00 H new ATOM 0 HB2 GLU A 114 15.915 1.918 2.084 1.00 0.00 H new ATOM 0 HB3 GLU A 114 15.950 2.367 0.390 1.00 0.00 H new ATOM 0 HG2 GLU A 114 16.955 4.092 2.712 1.00 0.00 H new ATOM 0 HG3 GLU A 114 17.968 3.225 1.575 1.00 0.00 H new ATOM 1835 N LEU A 115 12.884 4.629 0.185 1.00 0.00 N ATOM 1836 CA LEU A 115 12.381 5.260 -1.031 1.00 0.00 C ATOM 1837 C LEU A 115 11.353 6.331 -0.688 1.00 0.00 C ATOM 1838 O LEU A 115 10.644 6.224 0.308 1.00 0.00 O ATOM 1839 CB LEU A 115 11.764 4.200 -1.954 1.00 0.00 C ATOM 1840 CG LEU A 115 10.296 3.952 -1.567 1.00 0.00 C ATOM 1841 CD1 LEU A 115 9.363 4.940 -2.280 1.00 0.00 C ATOM 1842 CD2 LEU A 115 9.898 2.525 -1.957 1.00 0.00 C ATOM 0 H LEU A 115 12.223 4.614 0.962 1.00 0.00 H new ATOM 0 HA LEU A 115 13.212 5.737 -1.550 1.00 0.00 H new ATOM 0 HB2 LEU A 115 11.824 4.530 -2.991 1.00 0.00 H new ATOM 0 HB3 LEU A 115 12.329 3.271 -1.882 1.00 0.00 H new ATOM 0 HG LEU A 115 10.200 4.092 -0.490 1.00 0.00 H new ATOM 0 HD11 LEU A 115 8.332 4.742 -1.988 1.00 0.00 H new ATOM 0 HD12 LEU A 115 9.630 5.959 -2.000 1.00 0.00 H new ATOM 0 HD13 LEU A 115 9.464 4.822 -3.359 1.00 0.00 H new ATOM 0 HD21 LEU A 115 8.858 2.350 -1.683 1.00 0.00 H new ATOM 0 HD22 LEU A 115 10.016 2.395 -3.033 1.00 0.00 H new ATOM 0 HD23 LEU A 115 10.536 1.813 -1.433 1.00 0.00 H new ATOM 1854 N LYS A 116 11.281 7.361 -1.517 1.00 0.00 N ATOM 1855 CA LYS A 116 10.340 8.447 -1.288 1.00 0.00 C ATOM 1856 C LYS A 116 8.944 8.080 -1.778 1.00 0.00 C ATOM 1857 O LYS A 116 8.754 7.743 -2.947 1.00 0.00 O ATOM 1858 CB LYS A 116 10.822 9.700 -2.015 1.00 0.00 C ATOM 1859 CG LYS A 116 9.949 10.895 -1.611 1.00 0.00 C ATOM 1860 CD LYS A 116 10.765 11.890 -0.785 1.00 0.00 C ATOM 1861 CE LYS A 116 11.675 12.705 -1.700 1.00 0.00 C ATOM 1862 NZ LYS A 116 10.899 13.809 -2.329 1.00 0.00 N ATOM 0 H LYS A 116 11.859 7.468 -2.350 1.00 0.00 H new ATOM 0 HA LYS A 116 10.288 8.634 -0.215 1.00 0.00 H new ATOM 0 HB2 LYS A 116 11.865 9.898 -1.768 1.00 0.00 H new ATOM 0 HB3 LYS A 116 10.773 9.549 -3.093 1.00 0.00 H new ATOM 0 HG2 LYS A 116 9.557 11.386 -2.502 1.00 0.00 H new ATOM 0 HG3 LYS A 116 9.091 10.549 -1.034 1.00 0.00 H new ATOM 0 HD2 LYS A 116 10.097 12.555 -0.237 1.00 0.00 H new ATOM 0 HD3 LYS A 116 11.362 11.357 -0.045 1.00 0.00 H new ATOM 0 HE2 LYS A 116 12.509 13.114 -1.129 1.00 0.00 H new ATOM 0 HE3 LYS A 116 12.101 12.063 -2.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 11.280 14.005 -3.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 9.900 13.530 -2.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 10.974 14.664 -1.742 1.00 0.00 H new ATOM 1876 N SER A 117 7.964 8.161 -0.879 1.00 0.00 N ATOM 1877 CA SER A 117 6.586 7.838 -1.246 1.00 0.00 C ATOM 1878 C SER A 117 5.989 8.934 -2.128 1.00 0.00 C ATOM 1879 O SER A 117 6.529 10.039 -2.211 1.00 0.00 O ATOM 1880 CB SER A 117 5.734 7.669 0.008 1.00 0.00 C ATOM 1881 OG SER A 117 6.587 7.547 1.137 1.00 0.00 O ATOM 0 H SER A 117 8.094 8.443 0.093 1.00 0.00 H new ATOM 0 HA SER A 117 6.594 6.903 -1.806 1.00 0.00 H new ATOM 0 HB2 SER A 117 5.070 8.525 0.129 1.00 0.00 H new ATOM 0 HB3 SER A 117 5.102 6.785 -0.083 1.00 0.00 H new ATOM 0 HG SER A 117 6.914 8.433 1.397 1.00 0.00 H new ATOM 1887 N LYS A 118 4.874 8.623 -2.788 1.00 0.00 N ATOM 1888 CA LYS A 118 4.222 9.597 -3.659 1.00 0.00 C ATOM 1889 C LYS A 118 3.279 10.483 -2.855 1.00 0.00 C ATOM 1890 O LYS A 118 3.314 11.709 -2.971 1.00 0.00 O ATOM 1891 CB LYS A 118 3.435 8.881 -4.759 1.00 0.00 C ATOM 1892 CG LYS A 118 4.314 8.733 -6.004 1.00 0.00 C ATOM 1893 CD LYS A 118 4.400 10.070 -6.754 1.00 0.00 C ATOM 1894 CE LYS A 118 5.862 10.379 -7.095 1.00 0.00 C ATOM 1895 NZ LYS A 118 5.917 11.459 -8.123 1.00 0.00 N ATOM 0 H LYS A 118 4.409 7.717 -2.737 1.00 0.00 H new ATOM 0 HA LYS A 118 4.993 10.218 -4.114 1.00 0.00 H new ATOM 0 HB2 LYS A 118 3.113 7.900 -4.410 1.00 0.00 H new ATOM 0 HB3 LYS A 118 2.534 9.445 -5.002 1.00 0.00 H new ATOM 0 HG2 LYS A 118 5.313 8.404 -5.716 1.00 0.00 H new ATOM 0 HG3 LYS A 118 3.902 7.966 -6.660 1.00 0.00 H new ATOM 0 HD2 LYS A 118 3.806 10.025 -7.667 1.00 0.00 H new ATOM 0 HD3 LYS A 118 3.983 10.869 -6.141 1.00 0.00 H new ATOM 0 HE2 LYS A 118 6.398 10.689 -6.198 1.00 0.00 H new ATOM 0 HE3 LYS A 118 6.357 9.482 -7.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 6.909 11.668 -8.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 5.420 11.147 -8.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 5.460 12.316 -7.751 1.00 0.00 H new ATOM 1909 N GLU A 119 2.441 9.858 -2.037 1.00 0.00 N ATOM 1910 CA GLU A 119 1.501 10.605 -1.217 1.00 0.00 C ATOM 1911 C GLU A 119 0.916 9.706 -0.142 1.00 0.00 C ATOM 1912 O GLU A 119 0.370 8.646 -0.434 1.00 0.00 O ATOM 1913 CB GLU A 119 0.378 11.174 -2.081 1.00 0.00 C ATOM 1914 CG GLU A 119 -0.108 12.490 -1.472 1.00 0.00 C ATOM 1915 CD GLU A 119 0.737 13.647 -1.995 1.00 0.00 C ATOM 1916 OE1 GLU A 119 1.544 14.153 -1.235 1.00 0.00 O ATOM 1917 OE2 GLU A 119 0.565 14.006 -3.148 1.00 0.00 O ATOM 0 H GLU A 119 2.394 8.845 -1.925 1.00 0.00 H new ATOM 0 HA GLU A 119 2.034 11.429 -0.743 1.00 0.00 H new ATOM 0 HB2 GLU A 119 0.734 11.340 -3.098 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -0.445 10.462 -2.143 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -1.156 12.652 -1.723 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -0.044 12.443 -0.385 1.00 0.00 H new ATOM 1924 N SER A 120 1.038 10.133 1.106 1.00 0.00 N ATOM 1925 CA SER A 120 0.522 9.342 2.214 1.00 0.00 C ATOM 1926 C SER A 120 0.054 10.228 3.350 1.00 0.00 C ATOM 1927 O SER A 120 0.200 11.450 3.305 1.00 0.00 O ATOM 1928 CB SER A 120 1.606 8.391 2.728 1.00 0.00 C ATOM 1929 OG SER A 120 2.203 7.714 1.630 1.00 0.00 O ATOM 0 H SER A 120 1.483 11.010 1.375 1.00 0.00 H new ATOM 0 HA SER A 120 -0.330 8.769 1.847 1.00 0.00 H new ATOM 0 HB2 SER A 120 2.363 8.949 3.280 1.00 0.00 H new ATOM 0 HB3 SER A 120 1.173 7.670 3.421 1.00 0.00 H new ATOM 0 HG SER A 120 2.614 6.881 1.943 1.00 0.00 H new ATOM 1935 N ASP A 121 -0.518 9.600 4.371 1.00 0.00 N ATOM 1936 CA ASP A 121 -1.013 10.350 5.521 1.00 0.00 C ATOM 1937 C ASP A 121 -2.307 11.069 5.158 1.00 0.00 C ATOM 1938 O ASP A 121 -2.759 11.958 5.878 1.00 0.00 O ATOM 1939 CB ASP A 121 0.024 11.390 5.950 1.00 0.00 C ATOM 1940 CG ASP A 121 0.004 11.564 7.466 1.00 0.00 C ATOM 1941 OD1 ASP A 121 0.696 10.818 8.137 1.00 0.00 O ATOM 1942 OD2 ASP A 121 -0.701 12.444 7.931 1.00 0.00 O ATOM 0 H ASP A 121 -0.650 8.590 4.428 1.00 0.00 H new ATOM 0 HA ASP A 121 -1.197 9.652 6.338 1.00 0.00 H new ATOM 0 HB2 ASP A 121 1.017 11.078 5.626 1.00 0.00 H new ATOM 0 HB3 ASP A 121 -0.185 12.343 5.465 1.00 0.00 H new ATOM 1947 N ILE A 122 -2.891 10.685 4.034 1.00 0.00 N ATOM 1948 CA ILE A 122 -4.126 11.305 3.576 1.00 0.00 C ATOM 1949 C ILE A 122 -5.167 11.307 4.683 1.00 0.00 C ATOM 1950 O ILE A 122 -5.591 12.368 5.122 1.00 0.00 O ATOM 1951 CB ILE A 122 -4.653 10.544 2.366 1.00 0.00 C ATOM 1952 CG1 ILE A 122 -3.504 10.264 1.377 1.00 0.00 C ATOM 1953 CG2 ILE A 122 -5.743 11.367 1.691 1.00 0.00 C ATOM 1954 CD1 ILE A 122 -2.685 11.536 1.145 1.00 0.00 C ATOM 0 H ILE A 122 -2.532 9.950 3.424 1.00 0.00 H new ATOM 0 HA ILE A 122 -3.922 12.339 3.298 1.00 0.00 H new ATOM 0 HB ILE A 122 -5.071 9.590 2.689 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -2.861 9.475 1.768 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -3.908 9.905 0.430 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -6.123 10.826 0.824 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -6.556 11.541 2.395 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -5.330 12.323 1.370 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -1.877 11.326 0.445 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -3.329 12.313 0.733 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -2.266 11.876 2.092 1.00 0.00 H new ATOM 1966 N MET A 123 -5.551 10.103 5.112 1.00 0.00 N ATOM 1967 CA MET A 123 -6.540 9.896 6.184 1.00 0.00 C ATOM 1968 C MET A 123 -7.925 9.633 5.612 1.00 0.00 C ATOM 1969 O MET A 123 -8.554 10.519 5.038 1.00 0.00 O ATOM 1970 CB MET A 123 -6.599 11.083 7.156 1.00 0.00 C ATOM 1971 CG MET A 123 -5.181 11.423 7.626 1.00 0.00 C ATOM 1972 SD MET A 123 -5.070 11.181 9.416 1.00 0.00 S ATOM 1973 CE MET A 123 -5.333 9.385 9.432 1.00 0.00 C ATOM 0 H MET A 123 -5.184 9.234 4.725 1.00 0.00 H new ATOM 0 HA MET A 123 -6.211 9.019 6.741 1.00 0.00 H new ATOM 0 HB2 MET A 123 -7.049 11.947 6.667 1.00 0.00 H new ATOM 0 HB3 MET A 123 -7.229 10.837 8.011 1.00 0.00 H new ATOM 0 HG2 MET A 123 -4.455 10.790 7.116 1.00 0.00 H new ATOM 0 HG3 MET A 123 -4.939 12.455 7.371 1.00 0.00 H new ATOM 0 HE1 MET A 123 -4.961 8.971 10.369 1.00 0.00 H new ATOM 0 HE2 MET A 123 -6.398 9.172 9.339 1.00 0.00 H new ATOM 0 HE3 MET A 123 -4.798 8.932 8.597 1.00 0.00 H new ATOM 1983 N THR A 124 -8.392 8.399 5.786 1.00 0.00 N ATOM 1984 CA THR A 124 -9.710 8.012 5.294 1.00 0.00 C ATOM 1985 C THR A 124 -10.707 7.922 6.442 1.00 0.00 C ATOM 1986 O THR A 124 -10.395 8.272 7.581 1.00 0.00 O ATOM 1987 CB THR A 124 -9.645 6.665 4.573 1.00 0.00 C ATOM 1988 OG1 THR A 124 -9.588 5.616 5.529 1.00 0.00 O ATOM 1989 CG2 THR A 124 -8.405 6.630 3.688 1.00 0.00 C ATOM 0 H THR A 124 -7.881 7.655 6.261 1.00 0.00 H new ATOM 0 HA THR A 124 -10.040 8.777 4.592 1.00 0.00 H new ATOM 0 HB THR A 124 -10.534 6.534 3.956 1.00 0.00 H new ATOM 0 HG1 THR A 124 -9.276 5.972 6.387 1.00 0.00 H new ATOM 0 HG21 THR A 124 -8.354 5.672 3.171 1.00 0.00 H new ATOM 0 HG22 THR A 124 -8.458 7.435 2.955 1.00 0.00 H new ATOM 0 HG23 THR A 124 -7.515 6.758 4.304 1.00 0.00 H new ATOM 1997 N THR A 125 -11.908 7.458 6.131 1.00 0.00 N ATOM 1998 CA THR A 125 -12.950 7.329 7.138 1.00 0.00 C ATOM 1999 C THR A 125 -12.757 6.058 7.963 1.00 0.00 C ATOM 2000 O THR A 125 -13.241 5.963 9.089 1.00 0.00 O ATOM 2001 CB THR A 125 -14.327 7.295 6.466 1.00 0.00 C ATOM 2002 OG1 THR A 125 -14.402 6.166 5.601 1.00 0.00 O ATOM 2003 CG2 THR A 125 -14.539 8.574 5.652 1.00 0.00 C ATOM 0 H THR A 125 -12.184 7.166 5.194 1.00 0.00 H new ATOM 0 HA THR A 125 -12.887 8.191 7.803 1.00 0.00 H new ATOM 0 HB THR A 125 -15.100 7.224 7.231 1.00 0.00 H new ATOM 0 HG1 THR A 125 -13.553 5.677 5.627 1.00 0.00 H new ATOM 0 HG21 THR A 125 -15.519 8.544 5.177 1.00 0.00 H new ATOM 0 HG22 THR A 125 -14.482 9.439 6.312 1.00 0.00 H new ATOM 0 HG23 THR A 125 -13.767 8.650 4.887 1.00 0.00 H new ATOM 2011 N ASN A 126 -12.065 5.080 7.385 1.00 0.00 N ATOM 2012 CA ASN A 126 -11.829 3.816 8.071 1.00 0.00 C ATOM 2013 C ASN A 126 -10.365 3.381 7.947 1.00 0.00 C ATOM 2014 O ASN A 126 -10.063 2.196 7.816 1.00 0.00 O ATOM 2015 CB ASN A 126 -12.768 2.743 7.499 1.00 0.00 C ATOM 2016 CG ASN A 126 -13.643 3.341 6.398 1.00 0.00 C ATOM 2017 OD1 ASN A 126 -13.140 4.040 5.517 1.00 0.00 O ATOM 2018 ND2 ASN A 126 -14.925 3.104 6.392 1.00 0.00 N ATOM 0 H ASN A 126 -11.661 5.138 6.450 1.00 0.00 H new ATOM 0 HA ASN A 126 -12.038 3.948 9.132 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -12.184 1.914 7.100 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -13.396 2.338 8.293 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -15.513 3.497 5.657 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -15.340 2.525 7.122 1.00 0.00 H new ATOM 2025 N GLY A 127 -9.453 4.345 8.006 1.00 0.00 N ATOM 2026 CA GLY A 127 -8.029 4.041 7.908 1.00 0.00 C ATOM 2027 C GLY A 127 -7.273 5.156 7.193 1.00 0.00 C ATOM 2028 O GLY A 127 -7.818 6.234 6.963 1.00 0.00 O ATOM 0 H GLY A 127 -9.671 5.335 8.120 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -7.615 3.900 8.907 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -7.891 3.103 7.371 1.00 0.00 H new ATOM 2032 N VAL A 128 -6.015 4.888 6.848 1.00 0.00 N ATOM 2033 CA VAL A 128 -5.188 5.874 6.156 1.00 0.00 C ATOM 2034 C VAL A 128 -4.708 5.318 4.824 1.00 0.00 C ATOM 2035 O VAL A 128 -4.835 4.119 4.565 1.00 0.00 O ATOM 2036 CB VAL A 128 -3.980 6.244 7.017 1.00 0.00 C ATOM 2037 CG1 VAL A 128 -2.973 5.099 6.989 1.00 0.00 C ATOM 2038 CG2 VAL A 128 -3.309 7.515 6.476 1.00 0.00 C ATOM 0 H VAL A 128 -5.548 4.001 7.035 1.00 0.00 H new ATOM 0 HA VAL A 128 -5.790 6.765 5.976 1.00 0.00 H new ATOM 0 HB VAL A 128 -4.316 6.425 8.038 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -2.110 5.359 7.602 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -3.439 4.195 7.382 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -2.650 4.924 5.963 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -2.451 7.767 7.099 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -2.977 7.343 5.452 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -4.023 8.339 6.492 1.00 0.00 H new ATOM 2048 N ILE A 129 -4.169 6.195 3.987 1.00 0.00 N ATOM 2049 CA ILE A 129 -3.681 5.788 2.681 1.00 0.00 C ATOM 2050 C ILE A 129 -2.204 6.127 2.515 1.00 0.00 C ATOM 2051 O ILE A 129 -1.710 7.130 3.054 1.00 0.00 O ATOM 2052 CB ILE A 129 -4.491 6.490 1.584 1.00 0.00 C ATOM 2053 CG1 ILE A 129 -5.851 5.802 1.425 1.00 0.00 C ATOM 2054 CG2 ILE A 129 -3.738 6.430 0.254 1.00 0.00 C ATOM 2055 CD1 ILE A 129 -6.781 6.697 0.605 1.00 0.00 C ATOM 0 H ILE A 129 -4.060 7.189 4.190 1.00 0.00 H new ATOM 0 HA ILE A 129 -3.799 4.708 2.597 1.00 0.00 H new ATOM 0 HB ILE A 129 -4.637 7.532 1.868 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -5.728 4.838 0.931 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -6.288 5.605 2.404 1.00 0.00 H new ATOM 0 HG21 ILE A 129 -4.322 6.931 -0.518 1.00 0.00 H new ATOM 0 HG22 ILE A 129 -2.774 6.927 0.359 1.00 0.00 H new ATOM 0 HG23 ILE A 129 -3.581 5.389 -0.029 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -7.749 6.209 0.491 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -6.913 7.650 1.117 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -6.345 6.871 -0.379 1.00 0.00 H new ATOM 2067 N HIS A 130 -1.500 5.287 1.751 1.00 0.00 N ATOM 2068 CA HIS A 130 -0.084 5.508 1.493 1.00 0.00 C ATOM 2069 C HIS A 130 0.242 5.133 0.045 1.00 0.00 C ATOM 2070 O HIS A 130 0.177 3.965 -0.336 1.00 0.00 O ATOM 2071 CB HIS A 130 0.764 4.692 2.465 1.00 0.00 C ATOM 2072 CG HIS A 130 2.215 4.834 2.103 1.00 0.00 C ATOM 2073 ND1 HIS A 130 3.069 5.703 2.763 1.00 0.00 N ATOM 2074 CD2 HIS A 130 2.978 4.211 1.157 1.00 0.00 C ATOM 2075 CE1 HIS A 130 4.289 5.575 2.205 1.00 0.00 C ATOM 2076 NE2 HIS A 130 4.288 4.677 1.225 1.00 0.00 N ATOM 0 H HIS A 130 -1.888 4.455 1.306 1.00 0.00 H new ATOM 0 HA HIS A 130 0.147 6.563 1.642 1.00 0.00 H new ATOM 0 HB2 HIS A 130 0.598 5.035 3.486 1.00 0.00 H new ATOM 0 HB3 HIS A 130 0.470 3.643 2.429 1.00 0.00 H new ATOM 0 HD1 HIS A 130 2.820 6.326 3.531 1.00 0.00 H new ATOM 0 HD2 HIS A 130 2.619 3.468 0.460 1.00 0.00 H new ATOM 0 HE1 HIS A 130 5.160 6.133 2.516 1.00 0.00 H new ATOM 2085 N VAL A 131 0.578 6.143 -0.756 1.00 0.00 N ATOM 2086 CA VAL A 131 0.898 5.929 -2.163 1.00 0.00 C ATOM 2087 C VAL A 131 2.398 6.002 -2.394 1.00 0.00 C ATOM 2088 O VAL A 131 3.073 6.899 -1.881 1.00 0.00 O ATOM 2089 CB VAL A 131 0.206 6.991 -3.026 1.00 0.00 C ATOM 2090 CG1 VAL A 131 0.364 6.648 -4.515 1.00 0.00 C ATOM 2091 CG2 VAL A 131 -1.285 7.042 -2.677 1.00 0.00 C ATOM 0 H VAL A 131 0.635 7.115 -0.454 1.00 0.00 H new ATOM 0 HA VAL A 131 0.544 4.937 -2.442 1.00 0.00 H new ATOM 0 HB VAL A 131 0.666 7.960 -2.830 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -0.131 7.409 -5.118 1.00 0.00 H new ATOM 0 HG12 VAL A 131 1.423 6.615 -4.770 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -0.088 5.676 -4.714 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -1.777 7.797 -3.291 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -1.737 6.069 -2.868 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -1.404 7.297 -1.624 1.00 0.00 H new ATOM 2101 N VAL A 132 2.907 5.062 -3.186 1.00 0.00 N ATOM 2102 CA VAL A 132 4.336 5.028 -3.500 1.00 0.00 C ATOM 2103 C VAL A 132 4.561 5.027 -5.008 1.00 0.00 C ATOM 2104 O VAL A 132 3.609 4.992 -5.788 1.00 0.00 O ATOM 2105 CB VAL A 132 4.981 3.780 -2.899 1.00 0.00 C ATOM 2106 CG1 VAL A 132 4.768 3.771 -1.392 1.00 0.00 C ATOM 2107 CG2 VAL A 132 4.333 2.540 -3.509 1.00 0.00 C ATOM 0 H VAL A 132 2.359 4.319 -3.620 1.00 0.00 H new ATOM 0 HA VAL A 132 4.793 5.920 -3.072 1.00 0.00 H new ATOM 0 HB VAL A 132 6.050 3.782 -3.113 1.00 0.00 H new ATOM 0 HG11 VAL A 132 5.229 2.880 -0.965 1.00 0.00 H new ATOM 0 HG12 VAL A 132 5.223 4.660 -0.955 1.00 0.00 H new ATOM 0 HG13 VAL A 132 3.700 3.766 -1.176 1.00 0.00 H new ATOM 0 HG21 VAL A 132 4.789 1.645 -3.085 1.00 0.00 H new ATOM 0 HG22 VAL A 132 3.265 2.542 -3.290 1.00 0.00 H new ATOM 0 HG23 VAL A 132 4.482 2.546 -4.589 1.00 0.00 H new ATOM 2117 N ASP A 133 5.828 5.064 -5.405 1.00 0.00 N ATOM 2118 CA ASP A 133 6.188 5.062 -6.821 1.00 0.00 C ATOM 2119 C ASP A 133 6.971 3.801 -7.171 1.00 0.00 C ATOM 2120 O ASP A 133 7.676 3.758 -8.180 1.00 0.00 O ATOM 2121 CB ASP A 133 7.048 6.281 -7.137 1.00 0.00 C ATOM 2122 CG ASP A 133 6.536 6.974 -8.392 1.00 0.00 C ATOM 2123 OD1 ASP A 133 7.247 6.961 -9.384 1.00 0.00 O ATOM 2124 OD2 ASP A 133 5.438 7.502 -8.348 1.00 0.00 O ATOM 0 H ASP A 133 6.624 5.096 -4.768 1.00 0.00 H new ATOM 0 HA ASP A 133 5.271 5.091 -7.409 1.00 0.00 H new ATOM 0 HB2 ASP A 133 7.031 6.975 -6.297 1.00 0.00 H new ATOM 0 HB3 ASP A 133 8.085 5.977 -7.278 1.00 0.00 H new ATOM 2129 N LYS A 134 6.848 2.781 -6.334 1.00 0.00 N ATOM 2130 CA LYS A 134 7.557 1.530 -6.569 1.00 0.00 C ATOM 2131 C LYS A 134 6.876 0.397 -5.814 1.00 0.00 C ATOM 2132 O LYS A 134 6.371 0.589 -4.709 1.00 0.00 O ATOM 2133 CB LYS A 134 9.017 1.660 -6.120 1.00 0.00 C ATOM 2134 CG LYS A 134 9.574 0.284 -5.743 1.00 0.00 C ATOM 2135 CD LYS A 134 11.097 0.343 -5.638 1.00 0.00 C ATOM 2136 CE LYS A 134 11.539 -0.392 -4.370 1.00 0.00 C ATOM 2137 NZ LYS A 134 13.025 -0.509 -4.348 1.00 0.00 N ATOM 0 H LYS A 134 6.270 2.793 -5.494 1.00 0.00 H new ATOM 0 HA LYS A 134 7.536 1.306 -7.636 1.00 0.00 H new ATOM 0 HB2 LYS A 134 9.615 2.096 -6.920 1.00 0.00 H new ATOM 0 HB3 LYS A 134 9.085 2.335 -5.267 1.00 0.00 H new ATOM 0 HG2 LYS A 134 9.149 -0.041 -4.793 1.00 0.00 H new ATOM 0 HG3 LYS A 134 9.282 -0.452 -6.492 1.00 0.00 H new ATOM 0 HD2 LYS A 134 11.553 -0.114 -6.516 1.00 0.00 H new ATOM 0 HD3 LYS A 134 11.432 1.380 -5.608 1.00 0.00 H new ATOM 0 HE2 LYS A 134 11.194 0.146 -3.487 1.00 0.00 H new ATOM 0 HE3 LYS A 134 11.086 -1.383 -4.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 13.321 -1.009 -3.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 13.344 -1.041 -5.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 13.448 0.441 -4.360 1.00 0.00 H new ATOM 2151 N LEU A 135 6.871 -0.784 -6.415 1.00 0.00 N ATOM 2152 CA LEU A 135 6.254 -1.940 -5.784 1.00 0.00 C ATOM 2153 C LEU A 135 7.269 -2.670 -4.911 1.00 0.00 C ATOM 2154 O LEU A 135 8.433 -2.822 -5.285 1.00 0.00 O ATOM 2155 CB LEU A 135 5.701 -2.888 -6.857 1.00 0.00 C ATOM 2156 CG LEU A 135 5.291 -4.224 -6.220 1.00 0.00 C ATOM 2157 CD1 LEU A 135 3.961 -4.683 -6.798 1.00 0.00 C ATOM 2158 CD2 LEU A 135 6.357 -5.286 -6.511 1.00 0.00 C ATOM 0 H LEU A 135 7.283 -0.966 -7.330 1.00 0.00 H new ATOM 0 HA LEU A 135 5.433 -1.601 -5.153 1.00 0.00 H new ATOM 0 HB2 LEU A 135 4.842 -2.432 -7.349 1.00 0.00 H new ATOM 0 HB3 LEU A 135 6.455 -3.059 -7.626 1.00 0.00 H new ATOM 0 HG LEU A 135 5.195 -4.087 -5.143 1.00 0.00 H new ATOM 0 HD11 LEU A 135 3.674 -5.631 -6.343 1.00 0.00 H new ATOM 0 HD12 LEU A 135 3.196 -3.935 -6.590 1.00 0.00 H new ATOM 0 HD13 LEU A 135 4.058 -4.812 -7.876 1.00 0.00 H new ATOM 0 HD21 LEU A 135 6.062 -6.232 -6.057 1.00 0.00 H new ATOM 0 HD22 LEU A 135 6.456 -5.416 -7.589 1.00 0.00 H new ATOM 0 HD23 LEU A 135 7.312 -4.966 -6.095 1.00 0.00 H new ATOM 2170 N LEU A 136 6.811 -3.128 -3.750 1.00 0.00 N ATOM 2171 CA LEU A 136 7.679 -3.852 -2.828 1.00 0.00 C ATOM 2172 C LEU A 136 7.425 -5.352 -2.940 1.00 0.00 C ATOM 2173 O LEU A 136 6.367 -5.777 -3.407 1.00 0.00 O ATOM 2174 CB LEU A 136 7.428 -3.402 -1.387 1.00 0.00 C ATOM 2175 CG LEU A 136 7.128 -1.901 -1.353 1.00 0.00 C ATOM 2176 CD1 LEU A 136 6.954 -1.434 0.092 1.00 0.00 C ATOM 2177 CD2 LEU A 136 8.286 -1.142 -1.996 1.00 0.00 C ATOM 0 H LEU A 136 5.851 -3.012 -3.427 1.00 0.00 H new ATOM 0 HA LEU A 136 8.714 -3.636 -3.092 1.00 0.00 H new ATOM 0 HB2 LEU A 136 6.592 -3.958 -0.964 1.00 0.00 H new ATOM 0 HB3 LEU A 136 8.300 -3.621 -0.771 1.00 0.00 H new ATOM 0 HG LEU A 136 6.207 -1.706 -1.903 1.00 0.00 H new ATOM 0 HD11 LEU A 136 6.741 -0.365 0.106 1.00 0.00 H new ATOM 0 HD12 LEU A 136 6.127 -1.975 0.552 1.00 0.00 H new ATOM 0 HD13 LEU A 136 7.870 -1.629 0.650 1.00 0.00 H new ATOM 0 HD21 LEU A 136 8.077 -0.072 -1.974 1.00 0.00 H new ATOM 0 HD22 LEU A 136 9.204 -1.344 -1.444 1.00 0.00 H new ATOM 0 HD23 LEU A 136 8.405 -1.467 -3.029 1.00 0.00 H new