USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 649 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 79 THR OG1 : rot -91:sc= -2.93 USER MOD Set 1.2: A 109 MET CE :methyl -146:sc= -5.98! (180deg=-12.5!) USER MOD Set 2.1: A 54 HIS : no HD1:sc= -1.58 K(o=-1,f=-7.8!) USER MOD Set 2.2: A 58 SER OG : rot -109:sc= 1.84 USER MOD Set 2.3: A 59 SER OG : rot 122:sc= -0.159 USER MOD Set 2.4: A 69 TYR OH : rot 86:sc= -1.11 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 91:sc= 0.0217 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -6.08! C(o=-6.1!,f=-13!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 HIS :FLIP no HD1:sc= -0.276 F(o=-2.9!,f=-0.28) USER MOD Single : A 42 GLN : amide:sc= -0.504 K(o=-0.5,f=-2.7!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -4.07! C(o=-4.1!,f=-3.9!) USER MOD Single : A 60 GLN : amide:sc= -0.0331 X(o=-0.033,f=0) USER MOD Single : A 63 GLN : amide:sc= -0.292 K(o=-0.29,f=-2!) USER MOD Single : A 64 SER OG : rot 180:sc= 0.0217 USER MOD Single : A 67 ASN : amide:sc= -0.282 X(o=-0.28,f=0) USER MOD Single : A 70 ASN : amide:sc= -0.0917 X(o=-0.092,f=0) USER MOD Single : A 71 ASN : amide:sc= -0.198 X(o=-0.2,f=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 HIS :FLIP no HD1:sc= -0.182 F(o=-0.77,f=-0.18) USER MOD Single : A 76 THR OG1 : rot 73:sc= -1.94! USER MOD Single : A 77 GLN : amide:sc= -0.572 X(o=-0.57,f=-0.19) USER MOD Single : A 82 MET CE :methyl -173:sc= -3.02 (180deg=-3.2!) USER MOD Single : A 85 MET CE :methyl -173:sc= -0.0179 (180deg=-0.12) USER MOD Single : A 86 GLN : amide:sc= -1.77 K(o=-1.8,f=-2.4!) USER MOD Single : A 87 HIS : no HD1:sc= -2.27! C(o=-2.3!,f=-6.5!) USER MOD Single : A 103 HIS : no HD1:sc= -4.5! C(o=-4.5!,f=-4.5!) USER MOD Single : A 105 ASN : amide:sc= -5.81! C(o=-5.8!,f=-13!) USER MOD Single : A 111 SER OG : rot 66:sc= 0.0312 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 119 MET CE :methyl -152:sc=-0.00955 (180deg=-1.78) USER MOD Single : A 124 GLN : amide:sc= 0.494 X(o=0.49,f=0) USER MOD Single : A 125 HIS : no HD1:sc= -0.0364 X(o=-0.036,f=-0.2) USER MOD Single : A 127 MET CE :methyl -150:sc= -0.148 (180deg=-1.95!) USER MOD ----------------------------------------------------------------- ATOM 43 N THR A 32 -14.898 10.558 -7.044 1.00 0.00 N ATOM 44 CA THR A 32 -16.040 10.351 -6.159 1.00 0.00 C ATOM 45 C THR A 32 -15.615 9.672 -4.860 1.00 0.00 C ATOM 46 O THR A 32 -14.584 9.001 -4.805 1.00 0.00 O ATOM 47 CB THR A 32 -17.112 9.514 -6.862 1.00 0.00 C ATOM 48 OG1 THR A 32 -18.319 9.521 -6.121 1.00 0.00 O ATOM 49 CG2 THR A 32 -16.711 8.070 -7.072 1.00 0.00 C ATOM 0 HA THR A 32 -16.455 11.328 -5.912 1.00 0.00 H new ATOM 0 HB THR A 32 -17.243 9.980 -7.839 1.00 0.00 H new ATOM 0 HG1 THR A 32 -18.992 8.982 -6.587 1.00 0.00 H new ATOM 0 HG21 THR A 32 -17.518 7.538 -7.575 1.00 0.00 H new ATOM 0 HG22 THR A 32 -15.811 8.028 -7.685 1.00 0.00 H new ATOM 0 HG23 THR A 32 -16.514 7.603 -6.107 1.00 0.00 H new ATOM 57 N SER A 33 -16.421 9.848 -3.817 1.00 0.00 N ATOM 58 CA SER A 33 -16.133 9.251 -2.518 1.00 0.00 C ATOM 59 C SER A 33 -16.020 7.735 -2.632 1.00 0.00 C ATOM 60 O SER A 33 -15.272 7.100 -1.889 1.00 0.00 O ATOM 61 CB SER A 33 -17.224 9.617 -1.510 1.00 0.00 C ATOM 62 OG SER A 33 -17.651 10.957 -1.685 1.00 0.00 O ATOM 0 H SER A 33 -17.279 10.399 -3.847 1.00 0.00 H new ATOM 0 HA SER A 33 -15.179 9.645 -2.168 1.00 0.00 H new ATOM 0 HB2 SER A 33 -18.073 8.943 -1.627 1.00 0.00 H new ATOM 0 HB3 SER A 33 -16.847 9.481 -0.496 1.00 0.00 H new ATOM 0 HG SER A 33 -18.405 10.981 -2.311 1.00 0.00 H new ATOM 68 N SER A 34 -16.765 7.160 -3.571 1.00 0.00 N ATOM 69 CA SER A 34 -16.747 5.719 -3.785 1.00 0.00 C ATOM 70 C SER A 34 -15.393 5.269 -4.324 1.00 0.00 C ATOM 71 O SER A 34 -14.937 4.162 -4.038 1.00 0.00 O ATOM 72 CB SER A 34 -17.858 5.310 -4.754 1.00 0.00 C ATOM 73 OG SER A 34 -19.045 4.973 -4.056 1.00 0.00 O ATOM 0 H SER A 34 -17.389 7.671 -4.196 1.00 0.00 H new ATOM 0 HA SER A 34 -16.917 5.231 -2.825 1.00 0.00 H new ATOM 0 HB2 SER A 34 -18.059 6.127 -5.447 1.00 0.00 H new ATOM 0 HB3 SER A 34 -17.529 4.459 -5.351 1.00 0.00 H new ATOM 0 HG SER A 34 -19.740 4.717 -4.697 1.00 0.00 H new ATOM 79 N GLN A 35 -14.754 6.135 -5.106 1.00 0.00 N ATOM 80 CA GLN A 35 -13.451 5.822 -5.681 1.00 0.00 C ATOM 81 C GLN A 35 -12.345 5.989 -4.646 1.00 0.00 C ATOM 82 O GLN A 35 -11.371 5.236 -4.639 1.00 0.00 O ATOM 83 CB GLN A 35 -13.176 6.715 -6.888 1.00 0.00 C ATOM 84 CG GLN A 35 -12.202 6.111 -7.887 1.00 0.00 C ATOM 85 CD GLN A 35 -10.862 5.774 -7.265 1.00 0.00 C ATOM 86 OE1 GLN A 35 -10.564 4.611 -6.998 1.00 0.00 O ATOM 87 NE2 GLN A 35 -10.046 6.795 -7.030 1.00 0.00 N ATOM 0 H GLN A 35 -15.116 7.055 -5.355 1.00 0.00 H new ATOM 0 HA GLN A 35 -13.465 4.781 -6.005 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -14.118 6.926 -7.395 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -12.780 7.669 -6.540 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -12.638 5.207 -8.313 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -12.051 6.810 -8.709 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -10.335 7.744 -7.268 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -9.130 6.630 -6.612 1.00 0.00 H new ATOM 96 N LEU A 36 -12.503 6.972 -3.763 1.00 0.00 N ATOM 97 CA LEU A 36 -11.514 7.220 -2.719 1.00 0.00 C ATOM 98 C LEU A 36 -11.240 5.934 -1.948 1.00 0.00 C ATOM 99 O LEU A 36 -10.087 5.548 -1.744 1.00 0.00 O ATOM 100 CB LEU A 36 -12.007 8.311 -1.764 1.00 0.00 C ATOM 101 CG LEU A 36 -11.691 9.745 -2.195 1.00 0.00 C ATOM 102 CD1 LEU A 36 -10.202 9.911 -2.452 1.00 0.00 C ATOM 103 CD2 LEU A 36 -12.492 10.120 -3.433 1.00 0.00 C ATOM 0 H LEU A 36 -13.302 7.606 -3.750 1.00 0.00 H new ATOM 0 HA LEU A 36 -10.589 7.560 -3.186 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -13.087 8.212 -1.651 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -11.567 8.138 -0.782 1.00 0.00 H new ATOM 0 HG LEU A 36 -11.976 10.417 -1.385 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.998 10.937 -2.757 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.648 9.687 -1.540 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -9.891 9.228 -3.243 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -12.254 11.143 -3.724 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -12.240 9.442 -4.249 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -13.557 10.044 -3.214 1.00 0.00 H new ATOM 115 N LEU A 37 -12.312 5.264 -1.544 1.00 0.00 N ATOM 116 CA LEU A 37 -12.198 4.009 -0.819 1.00 0.00 C ATOM 117 C LEU A 37 -11.927 2.862 -1.789 1.00 0.00 C ATOM 118 O LEU A 37 -11.396 1.821 -1.400 1.00 0.00 O ATOM 119 CB LEU A 37 -13.474 3.732 -0.021 1.00 0.00 C ATOM 120 CG LEU A 37 -14.733 3.517 -0.864 1.00 0.00 C ATOM 121 CD1 LEU A 37 -15.024 2.032 -1.021 1.00 0.00 C ATOM 122 CD2 LEU A 37 -15.923 4.230 -0.239 1.00 0.00 C ATOM 0 H LEU A 37 -13.271 5.571 -1.707 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.363 4.088 -0.123 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -13.313 2.848 0.596 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.648 4.567 0.658 1.00 0.00 H new ATOM 0 HG LEU A 37 -14.559 3.940 -1.853 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -15.923 1.899 -1.623 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -14.182 1.546 -1.514 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -15.176 1.585 -0.039 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -16.809 4.066 -0.852 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -16.097 3.837 0.763 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -15.716 5.299 -0.179 1.00 0.00 H new ATOM 134 N SER A 38 -12.289 3.061 -3.057 1.00 0.00 N ATOM 135 CA SER A 38 -12.077 2.044 -4.079 1.00 0.00 C ATOM 136 C SER A 38 -10.596 1.701 -4.199 1.00 0.00 C ATOM 137 O SER A 38 -10.221 0.529 -4.216 1.00 0.00 O ATOM 138 CB SER A 38 -12.613 2.525 -5.429 1.00 0.00 C ATOM 139 OG SER A 38 -12.487 1.517 -6.417 1.00 0.00 O ATOM 0 H SER A 38 -12.729 3.916 -3.397 1.00 0.00 H new ATOM 0 HA SER A 38 -12.619 1.146 -3.783 1.00 0.00 H new ATOM 0 HB2 SER A 38 -13.660 2.810 -5.327 1.00 0.00 H new ATOM 0 HB3 SER A 38 -12.069 3.416 -5.743 1.00 0.00 H new ATOM 0 HG SER A 38 -12.838 1.849 -7.270 1.00 0.00 H new ATOM 145 N VAL A 39 -9.758 2.730 -4.279 1.00 0.00 N ATOM 146 CA VAL A 39 -8.319 2.527 -4.393 1.00 0.00 C ATOM 147 C VAL A 39 -7.730 2.040 -3.076 1.00 0.00 C ATOM 148 O VAL A 39 -6.824 1.208 -3.064 1.00 0.00 O ATOM 149 CB VAL A 39 -7.580 3.807 -4.832 1.00 0.00 C ATOM 150 CG1 VAL A 39 -7.684 3.990 -6.338 1.00 0.00 C ATOM 151 CG2 VAL A 39 -8.118 5.025 -4.096 1.00 0.00 C ATOM 0 H VAL A 39 -10.049 3.708 -4.267 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.178 1.768 -5.162 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.527 3.701 -4.573 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -7.157 4.898 -6.631 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.237 3.132 -6.840 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.733 4.071 -6.623 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.580 5.915 -4.423 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -9.180 5.142 -4.314 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -7.980 4.892 -3.023 1.00 0.00 H new ATOM 161 N ARG A 40 -8.252 2.549 -1.963 1.00 0.00 N ATOM 162 CA ARG A 40 -7.761 2.134 -0.657 1.00 0.00 C ATOM 163 C ARG A 40 -8.055 0.652 -0.431 1.00 0.00 C ATOM 164 O ARG A 40 -7.390 -0.009 0.367 1.00 0.00 O ATOM 165 CB ARG A 40 -8.373 2.998 0.459 1.00 0.00 C ATOM 166 CG ARG A 40 -8.530 2.284 1.795 1.00 0.00 C ATOM 167 CD ARG A 40 -9.865 1.563 1.887 1.00 0.00 C ATOM 168 NE ARG A 40 -9.890 0.593 2.980 1.00 0.00 N ATOM 169 CZ ARG A 40 -10.073 0.921 4.258 1.00 0.00 C ATOM 170 NH1 ARG A 40 -10.246 2.190 4.606 1.00 0.00 N ATOM 171 NH2 ARG A 40 -10.083 -0.023 5.189 1.00 0.00 N ATOM 0 H ARG A 40 -9.003 3.239 -1.940 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.681 2.278 -0.629 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.748 3.879 0.603 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.351 3.351 0.133 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -7.719 1.568 1.924 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.449 3.007 2.607 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.662 2.293 2.032 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.067 1.053 0.945 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.760 -0.392 2.751 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.239 2.920 3.893 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -10.386 2.436 5.586 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.951 -1.000 4.926 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.223 0.227 6.168 1.00 0.00 H new ATOM 185 N HIS A 41 -9.047 0.134 -1.149 1.00 0.00 N ATOM 186 CA HIS A 41 -9.418 -1.269 -1.037 1.00 0.00 C ATOM 187 C HIS A 41 -8.521 -2.128 -1.921 1.00 0.00 C ATOM 188 O HIS A 41 -8.179 -3.255 -1.565 1.00 0.00 O ATOM 189 CB HIS A 41 -10.883 -1.466 -1.430 1.00 0.00 C ATOM 190 CG HIS A 41 -11.843 -1.214 -0.309 1.00 0.00 C ATOM 191 ND1 HIS A 41 -12.823 -0.288 -0.171 1.00 0.00 N flip ATOM 192 CD2 HIS A 41 -11.862 -1.963 0.849 1.00 0.00 C flip ATOM 193 CE1 HIS A 41 -13.408 -0.495 1.053 1.00 0.00 C flip ATOM 194 NE2 HIS A 41 -12.811 -1.511 1.649 1.00 0.00 N flip ATOM 0 H HIS A 41 -9.607 0.667 -1.814 1.00 0.00 H new ATOM 0 HA HIS A 41 -9.288 -1.577 0.000 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -11.121 -0.799 -2.258 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -11.020 -2.485 -1.792 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -11.203 -2.790 1.068 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -14.225 0.080 1.463 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -13.043 -1.883 2.570 1.00 0.00 H new ATOM 203 N GLN A 42 -8.139 -1.585 -3.075 1.00 0.00 N ATOM 204 CA GLN A 42 -7.279 -2.303 -4.008 1.00 0.00 C ATOM 205 C GLN A 42 -5.812 -2.186 -3.597 1.00 0.00 C ATOM 206 O GLN A 42 -5.035 -3.127 -3.764 1.00 0.00 O ATOM 207 CB GLN A 42 -7.483 -1.781 -5.438 1.00 0.00 C ATOM 208 CG GLN A 42 -6.691 -0.523 -5.766 1.00 0.00 C ATOM 209 CD GLN A 42 -5.367 -0.828 -6.440 1.00 0.00 C ATOM 210 OE1 GLN A 42 -5.066 -1.981 -6.751 1.00 0.00 O ATOM 211 NE2 GLN A 42 -4.568 0.208 -6.669 1.00 0.00 N ATOM 0 H GLN A 42 -8.412 -0.652 -3.384 1.00 0.00 H new ATOM 0 HA GLN A 42 -7.554 -3.357 -3.982 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.204 -2.565 -6.142 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -8.543 -1.579 -5.590 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.287 0.118 -6.416 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.507 0.036 -4.849 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -4.858 1.146 -6.394 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -3.664 0.065 -7.120 1.00 0.00 H new ATOM 220 N LEU A 43 -5.440 -1.029 -3.056 1.00 0.00 N ATOM 221 CA LEU A 43 -4.067 -0.799 -2.620 1.00 0.00 C ATOM 222 C LEU A 43 -3.786 -1.553 -1.324 1.00 0.00 C ATOM 223 O LEU A 43 -2.987 -2.490 -1.299 1.00 0.00 O ATOM 224 CB LEU A 43 -3.814 0.701 -2.421 1.00 0.00 C ATOM 225 CG LEU A 43 -2.350 1.163 -2.508 1.00 0.00 C ATOM 226 CD1 LEU A 43 -1.725 1.222 -1.125 1.00 0.00 C ATOM 227 CD2 LEU A 43 -1.532 0.258 -3.421 1.00 0.00 C ATOM 0 H LEU A 43 -6.068 -0.239 -2.910 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.394 -1.169 -3.393 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.390 1.247 -3.168 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.206 0.987 -1.445 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.346 2.164 -2.939 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.689 1.551 -1.208 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.281 1.925 -0.504 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.756 0.232 -0.669 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.503 0.614 -3.459 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.549 -0.761 -3.034 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.958 0.272 -4.424 1.00 0.00 H new ATOM 239 N ALA A 44 -4.451 -1.139 -0.247 1.00 0.00 N ATOM 240 CA ALA A 44 -4.279 -1.774 1.057 1.00 0.00 C ATOM 241 C ALA A 44 -4.326 -3.297 0.951 1.00 0.00 C ATOM 242 O ALA A 44 -3.506 -3.994 1.549 1.00 0.00 O ATOM 243 CB ALA A 44 -5.344 -1.281 2.025 1.00 0.00 C ATOM 0 H ALA A 44 -5.115 -0.365 -0.253 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.295 -1.498 1.435 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.206 -1.761 2.994 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.259 -0.200 2.140 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.332 -1.528 1.636 1.00 0.00 H new ATOM 249 N GLU A 45 -5.288 -3.810 0.187 1.00 0.00 N ATOM 250 CA GLU A 45 -5.432 -5.252 0.009 1.00 0.00 C ATOM 251 C GLU A 45 -4.115 -5.876 -0.439 1.00 0.00 C ATOM 252 O GLU A 45 -3.650 -6.855 0.144 1.00 0.00 O ATOM 253 CB GLU A 45 -6.528 -5.557 -1.014 1.00 0.00 C ATOM 254 CG GLU A 45 -7.910 -5.705 -0.399 1.00 0.00 C ATOM 255 CD GLU A 45 -8.977 -6.012 -1.431 1.00 0.00 C ATOM 256 OE1 GLU A 45 -8.711 -6.832 -2.335 1.00 0.00 O ATOM 257 OE2 GLU A 45 -10.080 -5.434 -1.335 1.00 0.00 O ATOM 0 H GLU A 45 -5.977 -3.251 -0.317 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.713 -5.685 0.969 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.553 -4.759 -1.756 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.274 -6.476 -1.543 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.889 -6.501 0.345 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.171 -4.786 0.125 1.00 0.00 H new ATOM 264 N SER A 46 -3.517 -5.297 -1.475 1.00 0.00 N ATOM 265 CA SER A 46 -2.249 -5.791 -1.997 1.00 0.00 C ATOM 266 C SER A 46 -1.112 -5.484 -1.029 1.00 0.00 C ATOM 267 O SER A 46 -0.103 -6.189 -0.997 1.00 0.00 O ATOM 268 CB SER A 46 -1.956 -5.166 -3.362 1.00 0.00 C ATOM 269 OG SER A 46 -0.759 -5.687 -3.916 1.00 0.00 O ATOM 0 H SER A 46 -3.890 -4.486 -1.969 1.00 0.00 H new ATOM 0 HA SER A 46 -2.326 -6.872 -2.112 1.00 0.00 H new ATOM 0 HB2 SER A 46 -2.788 -5.358 -4.040 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.872 -4.084 -3.260 1.00 0.00 H new ATOM 0 HG SER A 46 -0.595 -5.273 -4.789 1.00 0.00 H new ATOM 275 N ALA A 47 -1.281 -4.426 -0.240 1.00 0.00 N ATOM 276 CA ALA A 47 -0.269 -4.027 0.729 1.00 0.00 C ATOM 277 C ALA A 47 -0.226 -4.994 1.908 1.00 0.00 C ATOM 278 O ALA A 47 -0.542 -4.625 3.039 1.00 0.00 O ATOM 279 CB ALA A 47 -0.533 -2.608 1.214 1.00 0.00 C ATOM 0 H ALA A 47 -2.109 -3.831 -0.254 1.00 0.00 H new ATOM 0 HA ALA A 47 0.703 -4.055 0.236 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.231 -2.323 1.938 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.504 -1.923 0.367 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.515 -2.561 1.685 1.00 0.00 H new ATOM 285 N GLY A 48 0.167 -6.234 1.635 1.00 0.00 N ATOM 286 CA GLY A 48 0.244 -7.234 2.683 1.00 0.00 C ATOM 287 C GLY A 48 0.610 -8.606 2.151 1.00 0.00 C ATOM 288 O GLY A 48 0.011 -9.085 1.187 1.00 0.00 O ATOM 0 H GLY A 48 0.433 -6.564 0.707 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.984 -6.925 3.422 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.715 -7.291 3.197 1.00 0.00 H new ATOM 292 N LEU A 49 1.595 -9.240 2.779 1.00 0.00 N ATOM 293 CA LEU A 49 2.040 -10.565 2.363 1.00 0.00 C ATOM 294 C LEU A 49 1.146 -11.648 2.965 1.00 0.00 C ATOM 295 O LEU A 49 0.796 -11.586 4.144 1.00 0.00 O ATOM 296 CB LEU A 49 3.494 -10.792 2.782 1.00 0.00 C ATOM 297 CG LEU A 49 4.510 -9.850 2.132 1.00 0.00 C ATOM 298 CD1 LEU A 49 4.371 -9.875 0.618 1.00 0.00 C ATOM 299 CD2 LEU A 49 4.339 -8.434 2.662 1.00 0.00 C ATOM 0 H LEU A 49 2.100 -8.857 3.578 1.00 0.00 H new ATOM 0 HA LEU A 49 1.972 -10.624 1.277 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.565 -10.687 3.865 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.769 -11.819 2.543 1.00 0.00 H new ATOM 0 HG LEU A 49 5.512 -10.195 2.389 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.102 -9.199 0.174 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.545 -10.887 0.253 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.366 -9.557 0.340 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.070 -7.778 2.189 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.333 -8.080 2.436 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.492 -8.429 3.741 1.00 0.00 H new ATOM 311 N PRO A 50 0.757 -12.658 2.164 1.00 0.00 N ATOM 312 CA PRO A 50 -0.105 -13.747 2.637 1.00 0.00 C ATOM 313 C PRO A 50 0.501 -14.498 3.821 1.00 0.00 C ATOM 314 O PRO A 50 0.055 -14.339 4.957 1.00 0.00 O ATOM 315 CB PRO A 50 -0.241 -14.668 1.416 1.00 0.00 C ATOM 316 CG PRO A 50 0.109 -13.816 0.245 1.00 0.00 C ATOM 317 CD PRO A 50 1.116 -12.818 0.744 1.00 0.00 C ATOM 0 HA PRO A 50 -1.062 -13.374 3.003 1.00 0.00 H new ATOM 0 HB2 PRO A 50 0.427 -15.526 1.493 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -1.254 -15.060 1.329 1.00 0.00 H new ATOM 0 HG2 PRO A 50 0.523 -14.417 -0.564 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -0.774 -13.314 -0.150 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.137 -13.182 0.625 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.049 -11.874 0.203 1.00 0.00 H new ATOM 325 N ARG A 51 1.515 -15.319 3.555 1.00 0.00 N ATOM 326 CA ARG A 51 2.166 -16.087 4.610 1.00 0.00 C ATOM 327 C ARG A 51 3.645 -16.308 4.302 1.00 0.00 C ATOM 328 O ARG A 51 4.516 -15.680 4.904 1.00 0.00 O ATOM 329 CB ARG A 51 1.462 -17.434 4.795 1.00 0.00 C ATOM 330 CG ARG A 51 0.602 -17.502 6.047 1.00 0.00 C ATOM 331 CD ARG A 51 0.745 -18.842 6.752 1.00 0.00 C ATOM 332 NE ARG A 51 0.395 -18.755 8.168 1.00 0.00 N ATOM 333 CZ ARG A 51 0.145 -19.813 8.937 1.00 0.00 C ATOM 334 NH1 ARG A 51 0.206 -21.038 8.431 1.00 0.00 N ATOM 335 NH2 ARG A 51 -0.166 -19.644 10.215 1.00 0.00 N ATOM 0 H ARG A 51 1.901 -15.468 2.623 1.00 0.00 H new ATOM 0 HA ARG A 51 2.094 -15.515 5.535 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.837 -17.631 3.924 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.212 -18.224 4.835 1.00 0.00 H new ATOM 0 HG2 ARG A 51 0.886 -16.700 6.728 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.443 -17.340 5.781 1.00 0.00 H new ATOM 0 HD2 ARG A 51 0.105 -19.578 6.265 1.00 0.00 H new ATOM 0 HD3 ARG A 51 1.771 -19.196 6.653 1.00 0.00 H new ATOM 0 HE ARG A 51 0.339 -17.829 8.592 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.445 -21.173 7.449 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.014 -21.845 9.024 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -0.214 -18.704 10.608 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.358 -20.454 10.805 1.00 0.00 H new ATOM 349 N ASP A 52 3.919 -17.212 3.365 1.00 0.00 N ATOM 350 CA ASP A 52 5.290 -17.530 2.977 1.00 0.00 C ATOM 351 C ASP A 52 6.069 -16.271 2.607 1.00 0.00 C ATOM 352 O ASP A 52 7.250 -16.144 2.929 1.00 0.00 O ATOM 353 CB ASP A 52 5.294 -18.507 1.800 1.00 0.00 C ATOM 354 CG ASP A 52 4.612 -19.819 2.136 1.00 0.00 C ATOM 355 OD1 ASP A 52 3.491 -19.781 2.685 1.00 0.00 O ATOM 356 OD2 ASP A 52 5.199 -20.884 1.851 1.00 0.00 O ATOM 0 H ASP A 52 3.207 -17.739 2.859 1.00 0.00 H new ATOM 0 HA ASP A 52 5.779 -17.994 3.834 1.00 0.00 H new ATOM 0 HB2 ASP A 52 4.793 -18.048 0.948 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.323 -18.702 1.497 1.00 0.00 H new ATOM 361 N GLN A 53 5.401 -15.344 1.929 1.00 0.00 N ATOM 362 CA GLN A 53 6.036 -14.097 1.516 1.00 0.00 C ATOM 363 C GLN A 53 6.597 -13.346 2.720 1.00 0.00 C ATOM 364 O GLN A 53 7.623 -12.674 2.621 1.00 0.00 O ATOM 365 CB GLN A 53 5.036 -13.214 0.766 1.00 0.00 C ATOM 366 CG GLN A 53 5.058 -13.419 -0.740 1.00 0.00 C ATOM 367 CD GLN A 53 4.154 -12.448 -1.475 1.00 0.00 C ATOM 368 OE1 GLN A 53 4.586 -11.373 -1.891 1.00 0.00 O ATOM 369 NE2 GLN A 53 2.891 -12.824 -1.638 1.00 0.00 N ATOM 0 H GLN A 53 4.423 -15.432 1.654 1.00 0.00 H new ATOM 0 HA GLN A 53 6.862 -14.343 0.849 1.00 0.00 H new ATOM 0 HB2 GLN A 53 4.032 -13.419 1.138 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.250 -12.168 0.986 1.00 0.00 H new ATOM 0 HG2 GLN A 53 6.079 -13.305 -1.103 1.00 0.00 H new ATOM 0 HG3 GLN A 53 4.751 -14.440 -0.968 1.00 0.00 H new ATOM 0 HE21 GLN A 53 2.576 -13.724 -1.277 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.236 -12.212 -2.125 1.00 0.00 H new ATOM 378 N HIS A 54 5.917 -13.467 3.856 1.00 0.00 N ATOM 379 CA HIS A 54 6.350 -12.800 5.080 1.00 0.00 C ATOM 380 C HIS A 54 7.290 -13.693 5.885 1.00 0.00 C ATOM 381 O HIS A 54 8.273 -13.221 6.455 1.00 0.00 O ATOM 382 CB HIS A 54 5.140 -12.416 5.934 1.00 0.00 C ATOM 383 CG HIS A 54 5.479 -11.516 7.083 1.00 0.00 C ATOM 384 ND1 HIS A 54 6.415 -11.839 8.043 1.00 0.00 N ATOM 385 CD2 HIS A 54 5.003 -10.293 7.421 1.00 0.00 C ATOM 386 CE1 HIS A 54 6.500 -10.855 8.921 1.00 0.00 C ATOM 387 NE2 HIS A 54 5.654 -9.906 8.566 1.00 0.00 N ATOM 0 H HIS A 54 5.065 -14.020 3.955 1.00 0.00 H new ATOM 0 HA HIS A 54 6.889 -11.896 4.798 1.00 0.00 H new ATOM 0 HB2 HIS A 54 4.402 -11.922 5.302 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.675 -13.323 6.319 1.00 0.00 H new ATOM 0 HD2 HIS A 54 4.252 -9.728 6.889 1.00 0.00 H new ATOM 0 HE1 HIS A 54 7.151 -10.831 9.782 1.00 0.00 H new ATOM 0 HE2 HIS A 54 5.508 -9.027 9.062 1.00 0.00 H new ATOM 396 N GLU A 55 6.977 -14.985 5.930 1.00 0.00 N ATOM 397 CA GLU A 55 7.789 -15.946 6.670 1.00 0.00 C ATOM 398 C GLU A 55 9.243 -15.927 6.203 1.00 0.00 C ATOM 399 O GLU A 55 10.141 -16.350 6.929 1.00 0.00 O ATOM 400 CB GLU A 55 7.213 -17.355 6.514 1.00 0.00 C ATOM 401 CG GLU A 55 6.018 -17.627 7.414 1.00 0.00 C ATOM 402 CD GLU A 55 5.818 -19.106 7.684 1.00 0.00 C ATOM 403 OE1 GLU A 55 5.332 -19.814 6.777 1.00 0.00 O ATOM 404 OE2 GLU A 55 6.146 -19.554 8.802 1.00 0.00 O ATOM 0 H GLU A 55 6.166 -15.391 5.462 1.00 0.00 H new ATOM 0 HA GLU A 55 7.767 -15.659 7.721 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.917 -17.505 5.476 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.994 -18.084 6.731 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.154 -17.103 8.360 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.119 -17.221 6.951 1.00 0.00 H new ATOM 411 N PHE A 56 9.471 -15.440 4.987 1.00 0.00 N ATOM 412 CA PHE A 56 10.818 -15.377 4.433 1.00 0.00 C ATOM 413 C PHE A 56 11.411 -13.977 4.595 1.00 0.00 C ATOM 414 O PHE A 56 12.462 -13.804 5.206 1.00 0.00 O ATOM 415 CB PHE A 56 10.795 -15.794 2.953 1.00 0.00 C ATOM 416 CG PHE A 56 11.644 -14.943 2.046 1.00 0.00 C ATOM 417 CD1 PHE A 56 13.027 -14.978 2.132 1.00 0.00 C ATOM 418 CD2 PHE A 56 11.056 -14.109 1.108 1.00 0.00 C ATOM 419 CE1 PHE A 56 13.807 -14.197 1.300 1.00 0.00 C ATOM 420 CE2 PHE A 56 11.831 -13.326 0.274 1.00 0.00 C ATOM 421 CZ PHE A 56 13.208 -13.370 0.370 1.00 0.00 C ATOM 0 H PHE A 56 8.742 -15.084 4.368 1.00 0.00 H new ATOM 0 HA PHE A 56 11.454 -16.071 4.983 1.00 0.00 H new ATOM 0 HB2 PHE A 56 11.129 -16.829 2.876 1.00 0.00 H new ATOM 0 HB3 PHE A 56 9.765 -15.765 2.597 1.00 0.00 H new ATOM 0 HD1 PHE A 56 13.501 -15.623 2.857 1.00 0.00 H new ATOM 0 HD2 PHE A 56 9.980 -14.071 1.028 1.00 0.00 H new ATOM 0 HE1 PHE A 56 14.884 -14.233 1.377 1.00 0.00 H new ATOM 0 HE2 PHE A 56 11.360 -12.680 -0.452 1.00 0.00 H new ATOM 0 HZ PHE A 56 13.815 -12.759 -0.281 1.00 0.00 H new ATOM 431 N VAL A 57 10.732 -12.986 4.032 1.00 0.00 N ATOM 432 CA VAL A 57 11.195 -11.604 4.099 1.00 0.00 C ATOM 433 C VAL A 57 11.404 -11.132 5.540 1.00 0.00 C ATOM 434 O VAL A 57 12.095 -10.141 5.777 1.00 0.00 O ATOM 435 CB VAL A 57 10.205 -10.654 3.393 1.00 0.00 C ATOM 436 CG1 VAL A 57 8.885 -10.589 4.148 1.00 0.00 C ATOM 437 CG2 VAL A 57 10.811 -9.267 3.237 1.00 0.00 C ATOM 0 H VAL A 57 9.857 -13.113 3.523 1.00 0.00 H new ATOM 0 HA VAL A 57 12.157 -11.577 3.587 1.00 0.00 H new ATOM 0 HB VAL A 57 10.003 -11.050 2.398 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.203 -9.913 3.631 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.443 -11.584 4.195 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.062 -10.223 5.159 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.097 -8.612 2.737 1.00 0.00 H new ATOM 0 HG22 VAL A 57 11.049 -8.861 4.220 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.722 -9.333 2.642 1.00 0.00 H new ATOM 447 N SER A 58 10.801 -11.827 6.500 1.00 0.00 N ATOM 448 CA SER A 58 10.929 -11.442 7.903 1.00 0.00 C ATOM 449 C SER A 58 11.715 -12.470 8.715 1.00 0.00 C ATOM 450 O SER A 58 12.528 -12.107 9.566 1.00 0.00 O ATOM 451 CB SER A 58 9.545 -11.246 8.522 1.00 0.00 C ATOM 452 OG SER A 58 8.908 -12.490 8.753 1.00 0.00 O ATOM 0 H SER A 58 10.224 -12.652 6.336 1.00 0.00 H new ATOM 0 HA SER A 58 11.484 -10.504 7.931 1.00 0.00 H new ATOM 0 HB2 SER A 58 9.637 -10.701 9.462 1.00 0.00 H new ATOM 0 HB3 SER A 58 8.930 -10.637 7.860 1.00 0.00 H new ATOM 0 HG SER A 58 8.165 -12.599 8.124 1.00 0.00 H new ATOM 458 N SER A 59 11.459 -13.750 8.468 1.00 0.00 N ATOM 459 CA SER A 59 12.136 -14.816 9.204 1.00 0.00 C ATOM 460 C SER A 59 13.398 -15.304 8.491 1.00 0.00 C ATOM 461 O SER A 59 14.175 -16.072 9.059 1.00 0.00 O ATOM 462 CB SER A 59 11.183 -15.991 9.429 1.00 0.00 C ATOM 463 OG SER A 59 9.832 -15.592 9.271 1.00 0.00 O ATOM 0 H SER A 59 10.792 -14.075 7.768 1.00 0.00 H new ATOM 0 HA SER A 59 12.441 -14.398 10.164 1.00 0.00 H new ATOM 0 HB2 SER A 59 11.414 -16.790 8.725 1.00 0.00 H new ATOM 0 HB3 SER A 59 11.331 -16.396 10.430 1.00 0.00 H new ATOM 0 HG SER A 59 9.410 -16.135 8.573 1.00 0.00 H new ATOM 469 N GLN A 60 13.602 -14.870 7.251 1.00 0.00 N ATOM 470 CA GLN A 60 14.775 -15.291 6.489 1.00 0.00 C ATOM 471 C GLN A 60 15.581 -14.093 5.989 1.00 0.00 C ATOM 472 O GLN A 60 16.744 -13.922 6.354 1.00 0.00 O ATOM 473 CB GLN A 60 14.352 -16.164 5.307 1.00 0.00 C ATOM 474 CG GLN A 60 13.964 -17.579 5.704 1.00 0.00 C ATOM 475 CD GLN A 60 14.468 -18.619 4.723 1.00 0.00 C ATOM 476 OE1 GLN A 60 13.683 -19.279 4.043 1.00 0.00 O ATOM 477 NE2 GLN A 60 15.785 -18.770 4.646 1.00 0.00 N ATOM 0 H GLN A 60 12.978 -14.233 6.755 1.00 0.00 H new ATOM 0 HA GLN A 60 15.413 -15.870 7.157 1.00 0.00 H new ATOM 0 HB2 GLN A 60 13.509 -15.693 4.802 1.00 0.00 H new ATOM 0 HB3 GLN A 60 15.170 -16.209 4.588 1.00 0.00 H new ATOM 0 HG2 GLN A 60 14.363 -17.796 6.695 1.00 0.00 H new ATOM 0 HG3 GLN A 60 12.878 -17.648 5.775 1.00 0.00 H new ATOM 0 HE21 GLN A 60 16.399 -18.201 5.229 1.00 0.00 H new ATOM 0 HE22 GLN A 60 16.183 -19.455 4.004 1.00 0.00 H new ATOM 486 N ALA A 61 14.958 -13.274 5.146 1.00 0.00 N ATOM 487 CA ALA A 61 15.616 -12.096 4.584 1.00 0.00 C ATOM 488 C ALA A 61 16.384 -11.313 5.649 1.00 0.00 C ATOM 489 O ALA A 61 16.011 -11.311 6.822 1.00 0.00 O ATOM 490 CB ALA A 61 14.592 -11.200 3.904 1.00 0.00 C ATOM 0 H ALA A 61 13.995 -13.404 4.836 1.00 0.00 H new ATOM 0 HA ALA A 61 16.340 -12.440 3.845 1.00 0.00 H new ATOM 0 HB1 ALA A 61 15.093 -10.325 3.489 1.00 0.00 H new ATOM 0 HB2 ALA A 61 14.101 -11.752 3.102 1.00 0.00 H new ATOM 0 HB3 ALA A 61 13.848 -10.880 4.633 1.00 0.00 H new ATOM 496 N PRO A 62 17.476 -10.637 5.247 1.00 0.00 N ATOM 497 CA PRO A 62 18.305 -9.849 6.166 1.00 0.00 C ATOM 498 C PRO A 62 17.612 -8.570 6.626 1.00 0.00 C ATOM 499 O PRO A 62 16.671 -8.098 5.988 1.00 0.00 O ATOM 500 CB PRO A 62 19.541 -9.516 5.330 1.00 0.00 C ATOM 501 CG PRO A 62 19.059 -9.535 3.922 1.00 0.00 C ATOM 502 CD PRO A 62 17.990 -10.592 3.864 1.00 0.00 C ATOM 0 HA PRO A 62 18.527 -10.395 7.083 1.00 0.00 H new ATOM 0 HB2 PRO A 62 19.949 -8.541 5.596 1.00 0.00 H new ATOM 0 HB3 PRO A 62 20.334 -10.247 5.487 1.00 0.00 H new ATOM 0 HG2 PRO A 62 18.662 -8.562 3.632 1.00 0.00 H new ATOM 0 HG3 PRO A 62 19.873 -9.765 3.234 1.00 0.00 H new ATOM 0 HD2 PRO A 62 17.206 -10.332 3.153 1.00 0.00 H new ATOM 0 HD3 PRO A 62 18.394 -11.556 3.554 1.00 0.00 H new ATOM 510 N GLN A 63 18.085 -8.015 7.739 1.00 0.00 N ATOM 511 CA GLN A 63 17.515 -6.789 8.292 1.00 0.00 C ATOM 512 C GLN A 63 17.383 -5.710 7.221 1.00 0.00 C ATOM 513 O GLN A 63 16.396 -4.975 7.186 1.00 0.00 O ATOM 514 CB GLN A 63 18.382 -6.274 9.443 1.00 0.00 C ATOM 515 CG GLN A 63 17.755 -5.118 10.207 1.00 0.00 C ATOM 516 CD GLN A 63 17.487 -5.455 11.661 1.00 0.00 C ATOM 517 OE1 GLN A 63 17.465 -6.625 12.045 1.00 0.00 O ATOM 518 NE2 GLN A 63 17.279 -4.429 12.478 1.00 0.00 N ATOM 0 H GLN A 63 18.863 -8.396 8.277 1.00 0.00 H new ATOM 0 HA GLN A 63 16.519 -7.023 8.668 1.00 0.00 H new ATOM 0 HB2 GLN A 63 18.576 -7.093 10.135 1.00 0.00 H new ATOM 0 HB3 GLN A 63 19.346 -5.956 9.047 1.00 0.00 H new ATOM 0 HG2 GLN A 63 18.415 -4.252 10.155 1.00 0.00 H new ATOM 0 HG3 GLN A 63 16.819 -4.835 9.725 1.00 0.00 H new ATOM 0 HE21 GLN A 63 17.307 -3.476 12.117 1.00 0.00 H new ATOM 0 HE22 GLN A 63 17.092 -4.594 13.467 1.00 0.00 H new ATOM 527 N SER A 64 18.381 -5.621 6.346 1.00 0.00 N ATOM 528 CA SER A 64 18.370 -4.632 5.273 1.00 0.00 C ATOM 529 C SER A 64 17.121 -4.785 4.411 1.00 0.00 C ATOM 530 O SER A 64 16.438 -3.807 4.108 1.00 0.00 O ATOM 531 CB SER A 64 19.623 -4.775 4.407 1.00 0.00 C ATOM 532 OG SER A 64 19.974 -6.138 4.239 1.00 0.00 O ATOM 0 H SER A 64 19.206 -6.221 6.359 1.00 0.00 H new ATOM 0 HA SER A 64 18.361 -3.640 5.724 1.00 0.00 H new ATOM 0 HB2 SER A 64 19.450 -4.318 3.433 1.00 0.00 H new ATOM 0 HB3 SER A 64 20.451 -4.237 4.868 1.00 0.00 H new ATOM 0 HG SER A 64 20.777 -6.203 3.681 1.00 0.00 H new ATOM 538 N LEU A 65 16.825 -6.022 4.028 1.00 0.00 N ATOM 539 CA LEU A 65 15.655 -6.309 3.209 1.00 0.00 C ATOM 540 C LEU A 65 14.378 -5.951 3.962 1.00 0.00 C ATOM 541 O LEU A 65 13.401 -5.494 3.369 1.00 0.00 O ATOM 542 CB LEU A 65 15.637 -7.788 2.813 1.00 0.00 C ATOM 543 CG LEU A 65 14.819 -8.124 1.563 1.00 0.00 C ATOM 544 CD1 LEU A 65 13.331 -8.029 1.860 1.00 0.00 C ATOM 545 CD2 LEU A 65 15.194 -7.203 0.412 1.00 0.00 C ATOM 0 H LEU A 65 17.380 -6.842 4.272 1.00 0.00 H new ATOM 0 HA LEU A 65 15.707 -5.703 2.304 1.00 0.00 H new ATOM 0 HB2 LEU A 65 16.664 -8.116 2.653 1.00 0.00 H new ATOM 0 HB3 LEU A 65 15.244 -8.366 3.650 1.00 0.00 H new ATOM 0 HG LEU A 65 15.048 -9.148 1.269 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.764 -8.271 0.961 1.00 0.00 H new ATOM 0 HD12 LEU A 65 13.072 -8.732 2.652 1.00 0.00 H new ATOM 0 HD13 LEU A 65 13.088 -7.016 2.180 1.00 0.00 H new ATOM 0 HD21 LEU A 65 14.601 -7.459 -0.466 1.00 0.00 H new ATOM 0 HD22 LEU A 65 14.997 -6.169 0.694 1.00 0.00 H new ATOM 0 HD23 LEU A 65 16.253 -7.321 0.182 1.00 0.00 H new ATOM 557 N ARG A 66 14.399 -6.157 5.275 1.00 0.00 N ATOM 558 CA ARG A 66 13.250 -5.852 6.118 1.00 0.00 C ATOM 559 C ARG A 66 13.074 -4.345 6.268 1.00 0.00 C ATOM 560 O ARG A 66 11.954 -3.848 6.386 1.00 0.00 O ATOM 561 CB ARG A 66 13.415 -6.499 7.494 1.00 0.00 C ATOM 562 CG ARG A 66 13.602 -8.006 7.440 1.00 0.00 C ATOM 563 CD ARG A 66 14.032 -8.563 8.787 1.00 0.00 C ATOM 564 NE ARG A 66 14.521 -9.936 8.681 1.00 0.00 N ATOM 565 CZ ARG A 66 15.279 -10.526 9.603 1.00 0.00 C ATOM 566 NH1 ARG A 66 15.636 -9.869 10.699 1.00 0.00 N ATOM 567 NH2 ARG A 66 15.680 -11.778 9.427 1.00 0.00 N ATOM 0 H ARG A 66 15.202 -6.535 5.779 1.00 0.00 H new ATOM 0 HA ARG A 66 12.359 -6.258 5.639 1.00 0.00 H new ATOM 0 HB2 ARG A 66 14.274 -6.053 7.995 1.00 0.00 H new ATOM 0 HB3 ARG A 66 12.538 -6.272 8.100 1.00 0.00 H new ATOM 0 HG2 ARG A 66 12.670 -8.478 7.131 1.00 0.00 H new ATOM 0 HG3 ARG A 66 14.350 -8.254 6.687 1.00 0.00 H new ATOM 0 HD2 ARG A 66 14.814 -7.931 9.208 1.00 0.00 H new ATOM 0 HD3 ARG A 66 13.190 -8.530 9.478 1.00 0.00 H new ATOM 0 HE ARG A 66 14.267 -10.474 7.852 1.00 0.00 H new ATOM 0 HH11 ARG A 66 15.330 -8.906 10.839 1.00 0.00 H new ATOM 0 HH12 ARG A 66 16.217 -10.327 11.402 1.00 0.00 H new ATOM 0 HH21 ARG A 66 15.408 -12.287 8.586 1.00 0.00 H new ATOM 0 HH22 ARG A 66 16.261 -12.231 10.132 1.00 0.00 H new ATOM 581 N ASN A 67 14.189 -3.621 6.264 1.00 0.00 N ATOM 582 CA ASN A 67 14.158 -2.169 6.401 1.00 0.00 C ATOM 583 C ASN A 67 13.281 -1.535 5.325 1.00 0.00 C ATOM 584 O ASN A 67 12.490 -0.636 5.607 1.00 0.00 O ATOM 585 CB ASN A 67 15.576 -1.599 6.322 1.00 0.00 C ATOM 586 CG ASN A 67 16.202 -1.413 7.691 1.00 0.00 C ATOM 587 OD1 ASN A 67 15.803 -0.533 8.454 1.00 0.00 O ATOM 588 ND2 ASN A 67 17.189 -2.243 8.007 1.00 0.00 N ATOM 0 H ASN A 67 15.125 -4.016 6.167 1.00 0.00 H new ATOM 0 HA ASN A 67 13.731 -1.931 7.375 1.00 0.00 H new ATOM 0 HB2 ASN A 67 16.200 -2.266 5.728 1.00 0.00 H new ATOM 0 HB3 ASN A 67 15.551 -0.640 5.804 1.00 0.00 H new ATOM 0 HD21 ASN A 67 17.649 -2.166 8.914 1.00 0.00 H new ATOM 0 HD22 ASN A 67 17.487 -2.958 7.343 1.00 0.00 H new ATOM 595 N ARG A 68 13.429 -2.007 4.091 1.00 0.00 N ATOM 596 CA ARG A 68 12.649 -1.482 2.974 1.00 0.00 C ATOM 597 C ARG A 68 11.201 -1.967 3.034 1.00 0.00 C ATOM 598 O ARG A 68 10.297 -1.310 2.519 1.00 0.00 O ATOM 599 CB ARG A 68 13.286 -1.884 1.641 1.00 0.00 C ATOM 600 CG ARG A 68 13.207 -3.375 1.345 1.00 0.00 C ATOM 601 CD ARG A 68 12.844 -3.634 -0.109 1.00 0.00 C ATOM 602 NE ARG A 68 12.739 -5.062 -0.402 1.00 0.00 N ATOM 603 CZ ARG A 68 12.428 -5.552 -1.599 1.00 0.00 C ATOM 604 NH1 ARG A 68 12.191 -4.735 -2.618 1.00 0.00 N ATOM 605 NH2 ARG A 68 12.353 -6.864 -1.779 1.00 0.00 N ATOM 0 H ARG A 68 14.080 -2.750 3.839 1.00 0.00 H new ATOM 0 HA ARG A 68 12.646 -0.395 3.051 1.00 0.00 H new ATOM 0 HB2 ARG A 68 12.796 -1.337 0.836 1.00 0.00 H new ATOM 0 HB3 ARG A 68 14.332 -1.579 1.643 1.00 0.00 H new ATOM 0 HG2 ARG A 68 14.165 -3.844 1.571 1.00 0.00 H new ATOM 0 HG3 ARG A 68 12.464 -3.838 1.995 1.00 0.00 H new ATOM 0 HD2 ARG A 68 11.896 -3.146 -0.338 1.00 0.00 H new ATOM 0 HD3 ARG A 68 13.598 -3.186 -0.756 1.00 0.00 H new ATOM 0 HE ARG A 68 12.915 -5.722 0.356 1.00 0.00 H new ATOM 0 HH11 ARG A 68 12.247 -3.725 -2.486 1.00 0.00 H new ATOM 0 HH12 ARG A 68 11.953 -5.117 -3.533 1.00 0.00 H new ATOM 0 HH21 ARG A 68 12.534 -7.497 -1.000 1.00 0.00 H new ATOM 0 HH22 ARG A 68 12.115 -7.240 -2.697 1.00 0.00 H new ATOM 619 N TYR A 69 10.988 -3.120 3.663 1.00 0.00 N ATOM 620 CA TYR A 69 9.649 -3.689 3.786 1.00 0.00 C ATOM 621 C TYR A 69 8.689 -2.694 4.434 1.00 0.00 C ATOM 622 O TYR A 69 7.670 -2.328 3.848 1.00 0.00 O ATOM 623 CB TYR A 69 9.698 -4.983 4.608 1.00 0.00 C ATOM 624 CG TYR A 69 8.341 -5.599 4.873 1.00 0.00 C ATOM 625 CD1 TYR A 69 7.459 -5.022 5.780 1.00 0.00 C ATOM 626 CD2 TYR A 69 7.943 -6.759 4.221 1.00 0.00 C ATOM 627 CE1 TYR A 69 6.222 -5.584 6.028 1.00 0.00 C ATOM 628 CE2 TYR A 69 6.707 -7.327 4.464 1.00 0.00 C ATOM 629 CZ TYR A 69 5.851 -6.736 5.368 1.00 0.00 C ATOM 630 OH TYR A 69 4.619 -7.298 5.612 1.00 0.00 O ATOM 0 H TYR A 69 11.725 -3.678 4.095 1.00 0.00 H new ATOM 0 HA TYR A 69 9.283 -3.915 2.785 1.00 0.00 H new ATOM 0 HB2 TYR A 69 10.319 -5.710 4.085 1.00 0.00 H new ATOM 0 HB3 TYR A 69 10.184 -4.777 5.562 1.00 0.00 H new ATOM 0 HD1 TYR A 69 7.746 -4.119 6.299 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.611 -7.225 3.512 1.00 0.00 H new ATOM 0 HE1 TYR A 69 5.549 -5.123 6.736 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.413 -8.229 3.948 1.00 0.00 H new ATOM 0 HH TYR A 69 3.948 -6.878 5.035 1.00 0.00 H new ATOM 640 N ASN A 70 9.020 -2.263 5.646 1.00 0.00 N ATOM 641 CA ASN A 70 8.186 -1.315 6.376 1.00 0.00 C ATOM 642 C ASN A 70 8.223 0.066 5.728 1.00 0.00 C ATOM 643 O ASN A 70 7.269 0.837 5.835 1.00 0.00 O ATOM 644 CB ASN A 70 8.643 -1.220 7.833 1.00 0.00 C ATOM 645 CG ASN A 70 8.646 -2.567 8.527 1.00 0.00 C ATOM 646 OD1 ASN A 70 7.643 -2.982 9.108 1.00 0.00 O ATOM 647 ND2 ASN A 70 9.778 -3.259 8.471 1.00 0.00 N ATOM 0 H ASN A 70 9.861 -2.555 6.144 1.00 0.00 H new ATOM 0 HA ASN A 70 7.159 -1.679 6.345 1.00 0.00 H new ATOM 0 HB2 ASN A 70 9.645 -0.794 7.869 1.00 0.00 H new ATOM 0 HB3 ASN A 70 7.987 -0.538 8.373 1.00 0.00 H new ATOM 0 HD21 ASN A 70 9.840 -4.173 8.920 1.00 0.00 H new ATOM 0 HD22 ASN A 70 10.585 -2.877 7.979 1.00 0.00 H new ATOM 654 N ASN A 71 9.329 0.375 5.058 1.00 0.00 N ATOM 655 CA ASN A 71 9.488 1.667 4.396 1.00 0.00 C ATOM 656 C ASN A 71 8.366 1.912 3.390 1.00 0.00 C ATOM 657 O ASN A 71 7.521 2.787 3.586 1.00 0.00 O ATOM 658 CB ASN A 71 10.845 1.739 3.692 1.00 0.00 C ATOM 659 CG ASN A 71 11.411 3.146 3.672 1.00 0.00 C ATOM 660 OD1 ASN A 71 12.453 3.417 4.269 1.00 0.00 O ATOM 661 ND2 ASN A 71 10.725 4.050 2.982 1.00 0.00 N ATOM 0 H ASN A 71 10.128 -0.251 4.959 1.00 0.00 H new ATOM 0 HA ASN A 71 9.439 2.444 5.159 1.00 0.00 H new ATOM 0 HB2 ASN A 71 11.548 1.074 4.195 1.00 0.00 H new ATOM 0 HB3 ASN A 71 10.740 1.378 2.669 1.00 0.00 H new ATOM 0 HD21 ASN A 71 11.057 5.013 2.932 1.00 0.00 H new ATOM 0 HD22 ASN A 71 9.866 3.781 2.502 1.00 0.00 H new ATOM 668 N LEU A 72 8.365 1.136 2.310 1.00 0.00 N ATOM 669 CA LEU A 72 7.349 1.271 1.272 1.00 0.00 C ATOM 670 C LEU A 72 5.946 1.186 1.864 1.00 0.00 C ATOM 671 O LEU A 72 5.042 1.914 1.452 1.00 0.00 O ATOM 672 CB LEU A 72 7.533 0.193 0.201 1.00 0.00 C ATOM 673 CG LEU A 72 7.312 -1.243 0.680 1.00 0.00 C ATOM 674 CD1 LEU A 72 5.829 -1.587 0.679 1.00 0.00 C ATOM 675 CD2 LEU A 72 8.091 -2.217 -0.193 1.00 0.00 C ATOM 0 H LEU A 72 9.056 0.408 2.131 1.00 0.00 H new ATOM 0 HA LEU A 72 7.468 2.252 0.812 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.844 0.396 -0.619 1.00 0.00 H new ATOM 0 HB3 LEU A 72 8.542 0.273 -0.203 1.00 0.00 H new ATOM 0 HG LEU A 72 7.679 -1.327 1.703 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.693 -2.612 1.023 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.297 -0.907 1.345 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.433 -1.488 -0.332 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.924 -3.235 0.159 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.753 -2.131 -1.226 1.00 0.00 H new ATOM 0 HD23 LEU A 72 9.154 -1.984 -0.139 1.00 0.00 H new ATOM 687 N TYR A 73 5.768 0.296 2.835 1.00 0.00 N ATOM 688 CA TYR A 73 4.472 0.127 3.478 1.00 0.00 C ATOM 689 C TYR A 73 4.133 1.340 4.337 1.00 0.00 C ATOM 690 O TYR A 73 2.963 1.679 4.513 1.00 0.00 O ATOM 691 CB TYR A 73 4.454 -1.141 4.334 1.00 0.00 C ATOM 692 CG TYR A 73 3.064 -1.557 4.764 1.00 0.00 C ATOM 693 CD1 TYR A 73 1.988 -1.463 3.889 1.00 0.00 C ATOM 694 CD2 TYR A 73 2.828 -2.043 6.044 1.00 0.00 C ATOM 695 CE1 TYR A 73 0.717 -1.841 4.277 1.00 0.00 C ATOM 696 CE2 TYR A 73 1.559 -2.423 6.439 1.00 0.00 C ATOM 697 CZ TYR A 73 0.508 -2.319 5.553 1.00 0.00 C ATOM 698 OH TYR A 73 -0.756 -2.696 5.943 1.00 0.00 O ATOM 0 H TYR A 73 6.502 -0.316 3.192 1.00 0.00 H new ATOM 0 HA TYR A 73 3.719 0.032 2.695 1.00 0.00 H new ATOM 0 HB2 TYR A 73 4.912 -1.956 3.773 1.00 0.00 H new ATOM 0 HB3 TYR A 73 5.068 -0.981 5.220 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.148 -1.088 2.889 1.00 0.00 H new ATOM 0 HD2 TYR A 73 3.649 -2.125 6.741 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.108 -1.762 3.585 1.00 0.00 H new ATOM 0 HE2 TYR A 73 1.392 -2.800 7.437 1.00 0.00 H new ATOM 0 HH TYR A 73 -0.732 -3.011 6.871 1.00 0.00 H new ATOM 708 N SER A 74 5.163 1.998 4.863 1.00 0.00 N ATOM 709 CA SER A 74 4.968 3.180 5.696 1.00 0.00 C ATOM 710 C SER A 74 4.111 4.208 4.965 1.00 0.00 C ATOM 711 O SER A 74 3.176 4.772 5.533 1.00 0.00 O ATOM 712 CB SER A 74 6.316 3.798 6.073 1.00 0.00 C ATOM 713 OG SER A 74 6.314 4.247 7.417 1.00 0.00 O ATOM 0 H SER A 74 6.139 1.733 4.727 1.00 0.00 H new ATOM 0 HA SER A 74 4.454 2.876 6.608 1.00 0.00 H new ATOM 0 HB2 SER A 74 7.108 3.063 5.933 1.00 0.00 H new ATOM 0 HB3 SER A 74 6.535 4.633 5.408 1.00 0.00 H new ATOM 0 HG SER A 74 7.187 4.636 7.633 1.00 0.00 H new ATOM 719 N HIS A 75 4.433 4.434 3.696 1.00 0.00 N ATOM 720 CA HIS A 75 3.690 5.383 2.876 1.00 0.00 C ATOM 721 C HIS A 75 2.342 4.798 2.458 1.00 0.00 C ATOM 722 O HIS A 75 1.412 5.533 2.125 1.00 0.00 O ATOM 723 CB HIS A 75 4.501 5.762 1.636 1.00 0.00 C ATOM 724 CG HIS A 75 5.887 6.236 1.949 1.00 0.00 C ATOM 725 ND1 HIS A 75 6.512 6.423 3.136 1.00 0.00 N flip ATOM 726 CD2 HIS A 75 6.803 6.580 0.977 1.00 0.00 C flip ATOM 727 CE1 HIS A 75 7.781 6.872 2.861 1.00 0.00 C flip ATOM 728 NE2 HIS A 75 7.931 6.957 1.552 1.00 0.00 N flip ATOM 0 H HIS A 75 5.204 3.973 3.213 1.00 0.00 H new ATOM 0 HA HIS A 75 3.510 6.279 3.471 1.00 0.00 H new ATOM 0 HB2 HIS A 75 4.562 4.898 0.974 1.00 0.00 H new ATOM 0 HB3 HIS A 75 3.973 6.544 1.091 1.00 0.00 H new ATOM 0 HD2 HIS A 75 6.626 6.546 -0.088 1.00 0.00 H new ATOM 0 HE1 HIS A 75 8.534 7.116 3.596 1.00 0.00 H new ATOM 0 HE2 HIS A 75 8.775 7.262 1.067 1.00 0.00 H new ATOM 737 N THR A 76 2.244 3.470 2.476 1.00 0.00 N ATOM 738 CA THR A 76 1.010 2.789 2.098 1.00 0.00 C ATOM 739 C THR A 76 -0.021 2.860 3.220 1.00 0.00 C ATOM 740 O THR A 76 -1.222 2.968 2.969 1.00 0.00 O ATOM 741 CB THR A 76 1.297 1.328 1.754 1.00 0.00 C ATOM 742 OG1 THR A 76 2.258 1.235 0.717 1.00 0.00 O ATOM 743 CG2 THR A 76 0.066 0.568 1.311 1.00 0.00 C ATOM 0 H THR A 76 3.004 2.846 2.748 1.00 0.00 H new ATOM 0 HA THR A 76 0.603 3.293 1.222 1.00 0.00 H new ATOM 0 HB THR A 76 1.669 0.881 2.676 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.143 1.466 1.069 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.338 -0.462 1.082 1.00 0.00 H new ATOM 0 HG22 THR A 76 -0.675 0.579 2.110 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.352 1.040 0.422 1.00 0.00 H new ATOM 751 N GLN A 77 0.454 2.789 4.458 1.00 0.00 N ATOM 752 CA GLN A 77 -0.427 2.839 5.619 1.00 0.00 C ATOM 753 C GLN A 77 -0.934 4.257 5.873 1.00 0.00 C ATOM 754 O GLN A 77 -1.987 4.448 6.480 1.00 0.00 O ATOM 755 CB GLN A 77 0.303 2.319 6.859 1.00 0.00 C ATOM 756 CG GLN A 77 0.371 0.802 6.933 1.00 0.00 C ATOM 757 CD GLN A 77 0.538 0.294 8.352 1.00 0.00 C ATOM 758 OE1 GLN A 77 -0.345 0.465 9.192 1.00 0.00 O ATOM 759 NE2 GLN A 77 1.674 -0.335 8.625 1.00 0.00 N ATOM 0 H GLN A 77 1.444 2.697 4.684 1.00 0.00 H new ATOM 0 HA GLN A 77 -1.287 2.203 5.412 1.00 0.00 H new ATOM 0 HB2 GLN A 77 1.316 2.721 6.869 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -0.198 2.696 7.750 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -0.538 0.380 6.505 1.00 0.00 H new ATOM 0 HG3 GLN A 77 1.204 0.449 6.324 1.00 0.00 H new ATOM 0 HE21 GLN A 77 2.379 -0.454 7.897 1.00 0.00 H new ATOM 0 HE22 GLN A 77 1.843 -0.699 9.563 1.00 0.00 H new ATOM 768 N ARG A 78 -0.178 5.249 5.411 1.00 0.00 N ATOM 769 CA ARG A 78 -0.557 6.646 5.599 1.00 0.00 C ATOM 770 C ARG A 78 -1.329 7.179 4.395 1.00 0.00 C ATOM 771 O ARG A 78 -2.222 8.014 4.541 1.00 0.00 O ATOM 772 CB ARG A 78 0.686 7.505 5.844 1.00 0.00 C ATOM 773 CG ARG A 78 1.694 7.454 4.707 1.00 0.00 C ATOM 774 CD ARG A 78 1.723 8.758 3.925 1.00 0.00 C ATOM 775 NE ARG A 78 2.647 9.726 4.511 1.00 0.00 N ATOM 776 CZ ARG A 78 3.148 10.768 3.850 1.00 0.00 C ATOM 777 NH1 ARG A 78 2.816 10.981 2.582 1.00 0.00 N ATOM 778 NH2 ARG A 78 3.984 11.598 4.458 1.00 0.00 N ATOM 0 H ARG A 78 0.697 5.112 4.906 1.00 0.00 H new ATOM 0 HA ARG A 78 -1.209 6.700 6.471 1.00 0.00 H new ATOM 0 HB2 ARG A 78 0.378 8.539 6.000 1.00 0.00 H new ATOM 0 HB3 ARG A 78 1.170 7.175 6.763 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.686 7.248 5.109 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.445 6.632 4.036 1.00 0.00 H new ATOM 0 HD2 ARG A 78 2.014 8.556 2.894 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.721 9.185 3.895 1.00 0.00 H new ATOM 0 HE ARG A 78 2.925 9.596 5.484 1.00 0.00 H new ATOM 0 HH11 ARG A 78 2.174 10.345 2.109 1.00 0.00 H new ATOM 0 HH12 ARG A 78 3.203 11.781 2.081 1.00 0.00 H new ATOM 0 HH21 ARG A 78 4.243 11.438 5.432 1.00 0.00 H new ATOM 0 HH22 ARG A 78 4.368 12.396 3.952 1.00 0.00 H new ATOM 792 N THR A 79 -0.979 6.699 3.206 1.00 0.00 N ATOM 793 CA THR A 79 -1.642 7.137 1.982 1.00 0.00 C ATOM 794 C THR A 79 -3.115 6.735 1.981 1.00 0.00 C ATOM 795 O THR A 79 -3.988 7.545 1.671 1.00 0.00 O ATOM 796 CB THR A 79 -0.942 6.552 0.754 1.00 0.00 C ATOM 797 OG1 THR A 79 -1.484 7.093 -0.437 1.00 0.00 O ATOM 798 CG2 THR A 79 -1.049 5.046 0.663 1.00 0.00 C ATOM 0 H THR A 79 -0.242 6.008 3.064 1.00 0.00 H new ATOM 0 HA THR A 79 -1.581 8.225 1.941 1.00 0.00 H new ATOM 0 HB THR A 79 0.109 6.819 0.868 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.219 6.525 -0.750 1.00 0.00 H new ATOM 0 HG21 THR A 79 -0.531 4.698 -0.231 1.00 0.00 H new ATOM 0 HG22 THR A 79 -0.594 4.595 1.545 1.00 0.00 H new ATOM 0 HG23 THR A 79 -2.099 4.758 0.609 1.00 0.00 H new ATOM 806 N LEU A 80 -3.384 5.480 2.326 1.00 0.00 N ATOM 807 CA LEU A 80 -4.752 4.975 2.359 1.00 0.00 C ATOM 808 C LEU A 80 -5.590 5.735 3.382 1.00 0.00 C ATOM 809 O LEU A 80 -6.767 6.010 3.153 1.00 0.00 O ATOM 810 CB LEU A 80 -4.764 3.481 2.686 1.00 0.00 C ATOM 811 CG LEU A 80 -3.955 2.597 1.734 1.00 0.00 C ATOM 812 CD1 LEU A 80 -3.726 1.225 2.345 1.00 0.00 C ATOM 813 CD2 LEU A 80 -4.666 2.479 0.401 1.00 0.00 C ATOM 0 H LEU A 80 -2.674 4.795 2.586 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.188 5.127 1.372 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.380 3.344 3.697 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.797 3.134 2.687 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.982 3.060 1.568 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.149 0.611 1.654 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.178 1.331 3.281 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.687 0.748 2.539 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.082 1.848 -0.269 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.650 2.035 0.552 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.779 3.469 -0.040 1.00 0.00 H new ATOM 825 N ASP A 81 -4.976 6.072 4.513 1.00 0.00 N ATOM 826 CA ASP A 81 -5.667 6.800 5.572 1.00 0.00 C ATOM 827 C ASP A 81 -6.273 8.095 5.040 1.00 0.00 C ATOM 828 O ASP A 81 -7.349 8.511 5.469 1.00 0.00 O ATOM 829 CB ASP A 81 -4.705 7.108 6.721 1.00 0.00 C ATOM 830 CG ASP A 81 -5.428 7.553 7.977 1.00 0.00 C ATOM 831 OD1 ASP A 81 -6.211 8.522 7.900 1.00 0.00 O ATOM 832 OD2 ASP A 81 -5.211 6.931 9.039 1.00 0.00 O ATOM 0 H ASP A 81 -4.001 5.852 4.719 1.00 0.00 H new ATOM 0 HA ASP A 81 -6.475 6.169 5.942 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -4.111 6.221 6.942 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -4.010 7.888 6.410 1.00 0.00 H new ATOM 837 N MET A 82 -5.575 8.726 4.102 1.00 0.00 N ATOM 838 CA MET A 82 -6.043 9.973 3.508 1.00 0.00 C ATOM 839 C MET A 82 -7.258 9.729 2.620 1.00 0.00 C ATOM 840 O MET A 82 -8.129 10.589 2.493 1.00 0.00 O ATOM 841 CB MET A 82 -4.923 10.624 2.695 1.00 0.00 C ATOM 842 CG MET A 82 -3.927 11.399 3.542 1.00 0.00 C ATOM 843 SD MET A 82 -2.434 11.839 2.632 1.00 0.00 S ATOM 844 CE MET A 82 -3.135 12.410 1.086 1.00 0.00 C ATOM 0 H MET A 82 -4.682 8.394 3.736 1.00 0.00 H new ATOM 0 HA MET A 82 -6.335 10.646 4.314 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.391 9.851 2.141 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.363 11.298 1.960 1.00 0.00 H new ATOM 0 HG2 MET A 82 -4.402 12.307 3.914 1.00 0.00 H new ATOM 0 HG3 MET A 82 -3.654 10.802 4.412 1.00 0.00 H new ATOM 0 HE1 MET A 82 -2.334 12.600 0.372 1.00 0.00 H new ATOM 0 HE2 MET A 82 -3.804 11.648 0.686 1.00 0.00 H new ATOM 0 HE3 MET A 82 -3.694 13.330 1.258 1.00 0.00 H new ATOM 854 N ALA A 83 -7.312 8.550 2.009 1.00 0.00 N ATOM 855 CA ALA A 83 -8.423 8.194 1.137 1.00 0.00 C ATOM 856 C ALA A 83 -9.707 8.013 1.938 1.00 0.00 C ATOM 857 O ALA A 83 -10.744 8.585 1.604 1.00 0.00 O ATOM 858 CB ALA A 83 -8.102 6.927 0.360 1.00 0.00 C ATOM 0 H ALA A 83 -6.599 7.826 2.102 1.00 0.00 H new ATOM 0 HA ALA A 83 -8.575 9.010 0.430 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -8.942 6.674 -0.287 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -7.212 7.089 -0.248 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -7.922 6.109 1.057 1.00 0.00 H new ATOM 864 N ASP A 84 -9.629 7.216 2.999 1.00 0.00 N ATOM 865 CA ASP A 84 -10.784 6.957 3.851 1.00 0.00 C ATOM 866 C ASP A 84 -10.925 8.032 4.927 1.00 0.00 C ATOM 867 O ASP A 84 -11.044 7.725 6.114 1.00 0.00 O ATOM 868 CB ASP A 84 -10.661 5.578 4.503 1.00 0.00 C ATOM 869 CG ASP A 84 -12.010 4.972 4.836 1.00 0.00 C ATOM 870 OD1 ASP A 84 -12.769 4.658 3.894 1.00 0.00 O ATOM 871 OD2 ASP A 84 -12.309 4.811 6.038 1.00 0.00 O ATOM 0 H ASP A 84 -8.776 6.738 3.290 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.677 6.980 3.226 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -10.121 4.909 3.832 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -10.069 5.662 5.414 1.00 0.00 H new ATOM 876 N MET A 85 -10.908 9.294 4.507 1.00 0.00 N ATOM 877 CA MET A 85 -11.032 10.410 5.438 1.00 0.00 C ATOM 878 C MET A 85 -12.097 11.401 4.974 1.00 0.00 C ATOM 879 O MET A 85 -12.929 11.849 5.763 1.00 0.00 O ATOM 880 CB MET A 85 -9.688 11.124 5.586 1.00 0.00 C ATOM 881 CG MET A 85 -9.498 11.789 6.940 1.00 0.00 C ATOM 882 SD MET A 85 -9.347 10.597 8.284 1.00 0.00 S ATOM 883 CE MET A 85 -7.715 10.994 8.907 1.00 0.00 C ATOM 0 H MET A 85 -10.810 9.568 3.530 1.00 0.00 H new ATOM 0 HA MET A 85 -11.337 10.009 6.405 1.00 0.00 H new ATOM 0 HB2 MET A 85 -8.885 10.405 5.428 1.00 0.00 H new ATOM 0 HB3 MET A 85 -9.599 11.878 4.804 1.00 0.00 H new ATOM 0 HG2 MET A 85 -8.605 12.414 6.912 1.00 0.00 H new ATOM 0 HG3 MET A 85 -10.343 12.449 7.138 1.00 0.00 H new ATOM 0 HE1 MET A 85 -7.425 10.261 9.660 1.00 0.00 H new ATOM 0 HE2 MET A 85 -6.998 10.974 8.087 1.00 0.00 H new ATOM 0 HE3 MET A 85 -7.728 11.988 9.354 1.00 0.00 H new ATOM 893 N GLN A 86 -12.055 11.748 3.692 1.00 0.00 N ATOM 894 CA GLN A 86 -13.006 12.698 3.120 1.00 0.00 C ATOM 895 C GLN A 86 -14.450 12.218 3.264 1.00 0.00 C ATOM 896 O GLN A 86 -15.383 13.015 3.167 1.00 0.00 O ATOM 897 CB GLN A 86 -12.686 12.943 1.644 1.00 0.00 C ATOM 898 CG GLN A 86 -13.484 14.085 1.033 1.00 0.00 C ATOM 899 CD GLN A 86 -12.691 15.376 0.946 1.00 0.00 C ATOM 900 OE1 GLN A 86 -12.822 16.132 -0.016 1.00 0.00 O ATOM 901 NE2 GLN A 86 -11.865 15.637 1.953 1.00 0.00 N ATOM 0 H GLN A 86 -11.372 11.385 3.027 1.00 0.00 H new ATOM 0 HA GLN A 86 -12.908 13.631 3.675 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -11.622 13.158 1.542 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -12.883 12.031 1.081 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -13.813 13.798 0.034 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -14.381 14.254 1.628 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -11.787 14.982 2.731 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -11.309 16.492 1.948 1.00 0.00 H new ATOM 910 N HIS A 87 -14.635 10.920 3.490 1.00 0.00 N ATOM 911 CA HIS A 87 -15.976 10.356 3.640 1.00 0.00 C ATOM 912 C HIS A 87 -16.650 10.875 4.908 1.00 0.00 C ATOM 913 O HIS A 87 -16.820 10.141 5.881 1.00 0.00 O ATOM 914 CB HIS A 87 -15.916 8.828 3.670 1.00 0.00 C ATOM 915 CG HIS A 87 -15.124 8.236 2.548 1.00 0.00 C ATOM 916 ND1 HIS A 87 -13.778 7.960 2.645 1.00 0.00 N ATOM 917 CD2 HIS A 87 -15.495 7.856 1.302 1.00 0.00 C ATOM 918 CE1 HIS A 87 -13.354 7.438 1.509 1.00 0.00 C ATOM 919 NE2 HIS A 87 -14.377 7.364 0.678 1.00 0.00 N ATOM 0 H HIS A 87 -13.878 10.241 3.573 1.00 0.00 H new ATOM 0 HA HIS A 87 -16.568 10.670 2.780 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -15.482 8.509 4.618 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -16.931 8.432 3.635 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -16.486 7.927 0.879 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -12.343 7.125 1.296 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -14.342 7.000 -0.274 1.00 0.00 H new ATOM 1110 N LEU A 101 -6.301 17.278 -0.243 1.00 0.00 N ATOM 1111 CA LEU A 101 -7.011 17.062 -1.498 1.00 0.00 C ATOM 1112 C LEU A 101 -7.337 15.580 -1.683 1.00 0.00 C ATOM 1113 O LEU A 101 -6.485 14.719 -1.467 1.00 0.00 O ATOM 1114 CB LEU A 101 -6.180 17.566 -2.677 1.00 0.00 C ATOM 1115 CG LEU A 101 -5.714 19.021 -2.566 1.00 0.00 C ATOM 1116 CD1 LEU A 101 -4.213 19.124 -2.792 1.00 0.00 C ATOM 1117 CD2 LEU A 101 -6.464 19.899 -3.558 1.00 0.00 C ATOM 0 HA LEU A 101 -7.945 17.623 -1.462 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -5.304 16.927 -2.784 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.767 17.457 -3.589 1.00 0.00 H new ATOM 0 HG LEU A 101 -5.933 19.374 -1.558 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -3.903 20.166 -2.709 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -3.691 18.529 -2.043 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -3.968 18.751 -3.787 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -6.120 20.929 -3.465 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -6.277 19.544 -4.572 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -7.533 19.853 -3.349 1.00 0.00 H new ATOM 1129 N PRO A 102 -8.581 15.260 -2.081 1.00 0.00 N ATOM 1130 CA PRO A 102 -9.014 13.871 -2.285 1.00 0.00 C ATOM 1131 C PRO A 102 -8.124 13.109 -3.262 1.00 0.00 C ATOM 1132 O PRO A 102 -8.077 11.880 -3.241 1.00 0.00 O ATOM 1133 CB PRO A 102 -10.427 14.014 -2.856 1.00 0.00 C ATOM 1134 CG PRO A 102 -10.891 15.353 -2.399 1.00 0.00 C ATOM 1135 CD PRO A 102 -9.665 16.220 -2.357 1.00 0.00 C ATOM 0 HA PRO A 102 -8.966 13.299 -1.358 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -10.422 13.948 -3.944 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -11.082 13.223 -2.491 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -11.636 15.762 -3.081 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -11.359 15.290 -1.417 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -9.509 16.742 -3.301 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -9.736 16.981 -1.580 1.00 0.00 H new ATOM 1143 N HIS A 103 -7.423 13.840 -4.123 1.00 0.00 N ATOM 1144 CA HIS A 103 -6.546 13.216 -5.107 1.00 0.00 C ATOM 1145 C HIS A 103 -5.137 13.001 -4.549 1.00 0.00 C ATOM 1146 O HIS A 103 -4.308 12.342 -5.176 1.00 0.00 O ATOM 1147 CB HIS A 103 -6.497 14.056 -6.389 1.00 0.00 C ATOM 1148 CG HIS A 103 -5.557 15.222 -6.322 1.00 0.00 C ATOM 1149 ND1 HIS A 103 -5.228 15.859 -5.144 1.00 0.00 N ATOM 1150 CD2 HIS A 103 -4.874 15.865 -7.299 1.00 0.00 C ATOM 1151 CE1 HIS A 103 -4.384 16.843 -5.399 1.00 0.00 C ATOM 1152 NE2 HIS A 103 -4.153 16.868 -6.699 1.00 0.00 N ATOM 0 H HIS A 103 -7.445 14.859 -4.159 1.00 0.00 H new ATOM 0 HA HIS A 103 -6.958 12.236 -5.346 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -6.204 13.414 -7.220 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -7.499 14.424 -6.608 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -4.893 15.632 -8.353 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -3.956 17.513 -4.668 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -3.539 17.526 -7.179 1.00 0.00 H new ATOM 1161 N GLU A 104 -4.869 13.558 -3.370 1.00 0.00 N ATOM 1162 CA GLU A 104 -3.561 13.414 -2.743 1.00 0.00 C ATOM 1163 C GLU A 104 -3.348 11.983 -2.261 1.00 0.00 C ATOM 1164 O GLU A 104 -2.230 11.469 -2.285 1.00 0.00 O ATOM 1165 CB GLU A 104 -3.424 14.385 -1.569 1.00 0.00 C ATOM 1166 CG GLU A 104 -3.149 15.819 -1.994 1.00 0.00 C ATOM 1167 CD GLU A 104 -1.727 16.253 -1.696 1.00 0.00 C ATOM 1168 OE1 GLU A 104 -0.790 15.621 -2.226 1.00 0.00 O ATOM 1169 OE2 GLU A 104 -1.552 17.226 -0.932 1.00 0.00 O ATOM 0 H GLU A 104 -5.538 14.110 -2.833 1.00 0.00 H new ATOM 0 HA GLU A 104 -2.800 13.647 -3.487 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -4.340 14.359 -0.978 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -2.616 14.046 -0.920 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -3.339 15.920 -3.062 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -3.843 16.485 -1.482 1.00 0.00 H new ATOM 1176 N ASN A 105 -4.430 11.346 -1.826 1.00 0.00 N ATOM 1177 CA ASN A 105 -4.364 9.972 -1.340 1.00 0.00 C ATOM 1178 C ASN A 105 -4.142 8.997 -2.491 1.00 0.00 C ATOM 1179 O ASN A 105 -3.263 8.138 -2.428 1.00 0.00 O ATOM 1180 CB ASN A 105 -5.646 9.608 -0.587 1.00 0.00 C ATOM 1181 CG ASN A 105 -6.899 9.996 -1.348 1.00 0.00 C ATOM 1182 OD1 ASN A 105 -7.235 9.389 -2.364 1.00 0.00 O ATOM 1183 ND2 ASN A 105 -7.598 11.012 -0.856 1.00 0.00 N ATOM 0 H ASN A 105 -5.362 11.759 -1.800 1.00 0.00 H new ATOM 0 HA ASN A 105 -3.518 9.898 -0.656 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -5.659 8.535 -0.396 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -5.646 10.104 0.383 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -8.451 11.318 -1.324 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -7.282 11.487 -0.010 1.00 0.00 H new ATOM 1190 N VAL A 106 -4.944 9.135 -3.544 1.00 0.00 N ATOM 1191 CA VAL A 106 -4.831 8.264 -4.708 1.00 0.00 C ATOM 1192 C VAL A 106 -3.426 8.321 -5.301 1.00 0.00 C ATOM 1193 O VAL A 106 -2.901 7.315 -5.778 1.00 0.00 O ATOM 1194 CB VAL A 106 -5.858 8.636 -5.797 1.00 0.00 C ATOM 1195 CG1 VAL A 106 -7.275 8.529 -5.254 1.00 0.00 C ATOM 1196 CG2 VAL A 106 -5.593 10.034 -6.333 1.00 0.00 C ATOM 0 H VAL A 106 -5.677 9.841 -3.614 1.00 0.00 H new ATOM 0 HA VAL A 106 -5.036 7.250 -4.365 1.00 0.00 H new ATOM 0 HB VAL A 106 -5.752 7.931 -6.621 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -7.986 8.795 -6.037 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -7.463 7.507 -4.926 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -7.393 9.208 -4.410 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -6.329 10.275 -7.100 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -5.667 10.756 -5.519 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -4.593 10.075 -6.765 1.00 0.00 H new ATOM 1206 N ASP A 107 -2.820 9.504 -5.261 1.00 0.00 N ATOM 1207 CA ASP A 107 -1.474 9.689 -5.789 1.00 0.00 C ATOM 1208 C ASP A 107 -0.480 8.814 -5.034 1.00 0.00 C ATOM 1209 O ASP A 107 0.246 8.020 -5.633 1.00 0.00 O ATOM 1210 CB ASP A 107 -1.059 11.158 -5.688 1.00 0.00 C ATOM 1211 CG ASP A 107 -1.716 12.018 -6.750 1.00 0.00 C ATOM 1212 OD1 ASP A 107 -1.807 11.563 -7.910 1.00 0.00 O ATOM 1213 OD2 ASP A 107 -2.139 13.147 -6.423 1.00 0.00 O ATOM 0 H ASP A 107 -3.240 10.347 -4.869 1.00 0.00 H new ATOM 0 HA ASP A 107 -1.474 9.394 -6.838 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -1.321 11.540 -4.701 1.00 0.00 H new ATOM 0 HB3 ASP A 107 0.024 11.234 -5.782 1.00 0.00 H new ATOM 1218 N ASP A 108 -0.459 8.958 -3.714 1.00 0.00 N ATOM 1219 CA ASP A 108 0.439 8.174 -2.876 1.00 0.00 C ATOM 1220 C ASP A 108 0.020 6.706 -2.863 1.00 0.00 C ATOM 1221 O ASP A 108 0.843 5.817 -2.644 1.00 0.00 O ATOM 1222 CB ASP A 108 0.455 8.727 -1.449 1.00 0.00 C ATOM 1223 CG ASP A 108 1.353 9.940 -1.309 1.00 0.00 C ATOM 1224 OD1 ASP A 108 0.952 11.032 -1.763 1.00 0.00 O ATOM 1225 OD2 ASP A 108 2.459 9.798 -0.746 1.00 0.00 O ATOM 0 H ASP A 108 -1.053 9.610 -3.202 1.00 0.00 H new ATOM 0 HA ASP A 108 1.443 8.245 -3.293 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -0.560 8.994 -1.154 1.00 0.00 H new ATOM 0 HB3 ASP A 108 0.791 7.948 -0.764 1.00 0.00 H new ATOM 1230 N MET A 109 -1.266 6.459 -3.103 1.00 0.00 N ATOM 1231 CA MET A 109 -1.796 5.100 -3.124 1.00 0.00 C ATOM 1232 C MET A 109 -1.090 4.258 -4.182 1.00 0.00 C ATOM 1233 O MET A 109 -0.378 3.305 -3.861 1.00 0.00 O ATOM 1234 CB MET A 109 -3.300 5.123 -3.400 1.00 0.00 C ATOM 1235 CG MET A 109 -4.047 3.947 -2.794 1.00 0.00 C ATOM 1236 SD MET A 109 -5.667 4.406 -2.149 1.00 0.00 S ATOM 1237 CE MET A 109 -5.230 5.761 -1.063 1.00 0.00 C ATOM 0 H MET A 109 -1.960 7.184 -3.286 1.00 0.00 H new ATOM 0 HA MET A 109 -1.617 4.651 -2.147 1.00 0.00 H new ATOM 0 HB2 MET A 109 -3.719 6.050 -3.008 1.00 0.00 H new ATOM 0 HB3 MET A 109 -3.463 5.130 -4.478 1.00 0.00 H new ATOM 0 HG2 MET A 109 -4.168 3.171 -3.550 1.00 0.00 H new ATOM 0 HG3 MET A 109 -3.449 3.518 -1.990 1.00 0.00 H new ATOM 0 HE1 MET A 109 -5.893 5.762 -0.198 1.00 0.00 H new ATOM 0 HE2 MET A 109 -4.199 5.642 -0.730 1.00 0.00 H new ATOM 0 HE3 MET A 109 -5.332 6.704 -1.599 1.00 0.00 H new ATOM 1247 N ARG A 110 -1.291 4.619 -5.446 1.00 0.00 N ATOM 1248 CA ARG A 110 -0.673 3.900 -6.555 1.00 0.00 C ATOM 1249 C ARG A 110 0.833 3.779 -6.350 1.00 0.00 C ATOM 1250 O ARG A 110 1.455 2.816 -6.797 1.00 0.00 O ATOM 1251 CB ARG A 110 -0.968 4.608 -7.880 1.00 0.00 C ATOM 1252 CG ARG A 110 -0.370 6.002 -7.971 1.00 0.00 C ATOM 1253 CD ARG A 110 0.815 6.044 -8.921 1.00 0.00 C ATOM 1254 NE ARG A 110 1.867 6.938 -8.445 1.00 0.00 N ATOM 1255 CZ ARG A 110 2.821 7.442 -9.224 1.00 0.00 C ATOM 1256 NH1 ARG A 110 2.861 7.141 -10.516 1.00 0.00 N ATOM 1257 NH2 ARG A 110 3.738 8.250 -8.710 1.00 0.00 N ATOM 0 H ARG A 110 -1.877 5.405 -5.728 1.00 0.00 H new ATOM 0 HA ARG A 110 -1.098 2.897 -6.588 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -0.582 4.002 -8.700 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -2.048 4.675 -8.014 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -1.132 6.704 -8.309 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -0.054 6.328 -6.980 1.00 0.00 H new ATOM 0 HD2 ARG A 110 1.220 5.039 -9.040 1.00 0.00 H new ATOM 0 HD3 ARG A 110 0.479 6.371 -9.905 1.00 0.00 H new ATOM 0 HE ARG A 110 1.871 7.191 -7.457 1.00 0.00 H new ATOM 0 HH11 ARG A 110 2.158 6.520 -10.917 1.00 0.00 H new ATOM 0 HH12 ARG A 110 3.595 7.530 -11.108 1.00 0.00 H new ATOM 0 HH21 ARG A 110 3.712 8.485 -7.718 1.00 0.00 H new ATOM 0 HH22 ARG A 110 4.469 8.636 -9.307 1.00 0.00 H new ATOM 1271 N SER A 111 1.413 4.759 -5.663 1.00 0.00 N ATOM 1272 CA SER A 111 2.845 4.753 -5.390 1.00 0.00 C ATOM 1273 C SER A 111 3.237 3.490 -4.630 1.00 0.00 C ATOM 1274 O SER A 111 4.295 2.907 -4.871 1.00 0.00 O ATOM 1275 CB SER A 111 3.240 5.993 -4.585 1.00 0.00 C ATOM 1276 OG SER A 111 2.593 7.151 -5.082 1.00 0.00 O ATOM 0 H SER A 111 0.914 5.565 -5.286 1.00 0.00 H new ATOM 0 HA SER A 111 3.376 4.768 -6.342 1.00 0.00 H new ATOM 0 HB2 SER A 111 2.979 5.848 -3.537 1.00 0.00 H new ATOM 0 HB3 SER A 111 4.321 6.130 -4.628 1.00 0.00 H new ATOM 0 HG SER A 111 1.626 7.072 -4.941 1.00 0.00 H new ATOM 1282 N ALA A 112 2.369 3.070 -3.714 1.00 0.00 N ATOM 1283 CA ALA A 112 2.614 1.873 -2.921 1.00 0.00 C ATOM 1284 C ALA A 112 2.696 0.642 -3.815 1.00 0.00 C ATOM 1285 O ALA A 112 3.610 -0.172 -3.684 1.00 0.00 O ATOM 1286 CB ALA A 112 1.523 1.698 -1.875 1.00 0.00 C ATOM 0 H ALA A 112 1.490 3.542 -3.504 1.00 0.00 H new ATOM 0 HA ALA A 112 3.570 1.989 -2.411 1.00 0.00 H new ATOM 0 HB1 ALA A 112 1.720 0.799 -1.291 1.00 0.00 H new ATOM 0 HB2 ALA A 112 1.510 2.565 -1.214 1.00 0.00 H new ATOM 0 HB3 ALA A 112 0.556 1.604 -2.370 1.00 0.00 H new ATOM 1292 N ILE A 113 1.736 0.512 -4.727 1.00 0.00 N ATOM 1293 CA ILE A 113 1.709 -0.622 -5.643 1.00 0.00 C ATOM 1294 C ILE A 113 2.984 -0.671 -6.480 1.00 0.00 C ATOM 1295 O ILE A 113 3.431 -1.743 -6.886 1.00 0.00 O ATOM 1296 CB ILE A 113 0.467 -0.576 -6.567 1.00 0.00 C ATOM 1297 CG1 ILE A 113 -0.119 -1.979 -6.733 1.00 0.00 C ATOM 1298 CG2 ILE A 113 0.804 0.023 -7.928 1.00 0.00 C ATOM 1299 CD1 ILE A 113 -1.159 -2.327 -5.689 1.00 0.00 C ATOM 0 H ILE A 113 0.971 1.175 -4.850 1.00 0.00 H new ATOM 0 HA ILE A 113 1.648 -1.528 -5.039 1.00 0.00 H new ATOM 0 HB ILE A 113 -0.276 0.068 -6.097 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -0.568 -2.062 -7.723 1.00 0.00 H new ATOM 0 HG13 ILE A 113 0.689 -2.709 -6.687 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -0.091 0.039 -8.550 1.00 0.00 H new ATOM 0 HG22 ILE A 113 1.173 1.040 -7.797 1.00 0.00 H new ATOM 0 HG23 ILE A 113 1.571 -0.582 -8.412 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.531 -3.336 -5.868 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -0.710 -2.277 -4.697 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -1.986 -1.619 -5.749 1.00 0.00 H new ATOM 1311 N THR A 114 3.569 0.497 -6.729 1.00 0.00 N ATOM 1312 CA THR A 114 4.797 0.584 -7.509 1.00 0.00 C ATOM 1313 C THR A 114 5.898 -0.242 -6.853 1.00 0.00 C ATOM 1314 O THR A 114 6.565 -1.043 -7.509 1.00 0.00 O ATOM 1315 CB THR A 114 5.242 2.041 -7.642 1.00 0.00 C ATOM 1316 OG1 THR A 114 4.166 2.856 -8.073 1.00 0.00 O ATOM 1317 CG2 THR A 114 6.382 2.234 -8.617 1.00 0.00 C ATOM 0 H THR A 114 3.212 1.395 -6.402 1.00 0.00 H new ATOM 0 HA THR A 114 4.604 0.186 -8.505 1.00 0.00 H new ATOM 0 HB THR A 114 5.584 2.329 -6.648 1.00 0.00 H new ATOM 0 HG1 THR A 114 4.470 3.785 -8.151 1.00 0.00 H new ATOM 0 HG21 THR A 114 6.647 3.290 -8.662 1.00 0.00 H new ATOM 0 HG22 THR A 114 7.246 1.657 -8.286 1.00 0.00 H new ATOM 0 HG23 THR A 114 6.076 1.894 -9.606 1.00 0.00 H new ATOM 1325 N ASP A 115 6.071 -0.049 -5.549 1.00 0.00 N ATOM 1326 CA ASP A 115 7.079 -0.783 -4.795 1.00 0.00 C ATOM 1327 C ASP A 115 6.567 -2.174 -4.439 1.00 0.00 C ATOM 1328 O ASP A 115 7.297 -3.160 -4.536 1.00 0.00 O ATOM 1329 CB ASP A 115 7.451 -0.022 -3.522 1.00 0.00 C ATOM 1330 CG ASP A 115 8.903 -0.217 -3.135 1.00 0.00 C ATOM 1331 OD1 ASP A 115 9.502 -1.226 -3.565 1.00 0.00 O ATOM 1332 OD2 ASP A 115 9.443 0.638 -2.403 1.00 0.00 O ATOM 0 H ASP A 115 5.526 0.610 -4.993 1.00 0.00 H new ATOM 0 HA ASP A 115 7.968 -0.884 -5.417 1.00 0.00 H new ATOM 0 HB2 ASP A 115 7.256 1.041 -3.667 1.00 0.00 H new ATOM 0 HB3 ASP A 115 6.812 -0.354 -2.704 1.00 0.00 H new ATOM 1337 N TRP A 116 5.303 -2.243 -4.031 1.00 0.00 N ATOM 1338 CA TRP A 116 4.685 -3.511 -3.664 1.00 0.00 C ATOM 1339 C TRP A 116 4.697 -4.478 -4.842 1.00 0.00 C ATOM 1340 O TRP A 116 5.136 -5.620 -4.716 1.00 0.00 O ATOM 1341 CB TRP A 116 3.251 -3.283 -3.188 1.00 0.00 C ATOM 1342 CG TRP A 116 3.153 -3.028 -1.717 1.00 0.00 C ATOM 1343 CD1 TRP A 116 3.136 -1.813 -1.095 1.00 0.00 C ATOM 1344 CD2 TRP A 116 3.063 -4.012 -0.682 1.00 0.00 C ATOM 1345 NE1 TRP A 116 3.041 -1.982 0.265 1.00 0.00 N ATOM 1346 CE2 TRP A 116 2.995 -3.323 0.543 1.00 0.00 C ATOM 1347 CE3 TRP A 116 3.033 -5.409 -0.674 1.00 0.00 C ATOM 1348 CZ2 TRP A 116 2.898 -3.986 1.764 1.00 0.00 C ATOM 1349 CZ3 TRP A 116 2.937 -6.065 0.538 1.00 0.00 C ATOM 1350 CH2 TRP A 116 2.870 -5.354 1.743 1.00 0.00 C ATOM 0 H TRP A 116 4.687 -1.434 -3.947 1.00 0.00 H new ATOM 0 HA TRP A 116 5.263 -3.950 -2.851 1.00 0.00 H new ATOM 0 HB2 TRP A 116 2.826 -2.436 -3.726 1.00 0.00 H new ATOM 0 HB3 TRP A 116 2.648 -4.155 -3.440 1.00 0.00 H new ATOM 0 HD1 TRP A 116 3.189 -0.859 -1.598 1.00 0.00 H new ATOM 0 HE1 TRP A 116 3.010 -1.232 0.955 1.00 0.00 H new ATOM 0 HE3 TRP A 116 3.084 -5.966 -1.598 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 2.847 -3.440 2.694 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 2.913 -7.145 0.557 1.00 0.00 H new ATOM 0 HH2 TRP A 116 2.795 -5.896 2.674 1.00 0.00 H new ATOM 1361 N SER A 117 4.217 -4.009 -5.991 1.00 0.00 N ATOM 1362 CA SER A 117 4.181 -4.831 -7.196 1.00 0.00 C ATOM 1363 C SER A 117 5.562 -5.406 -7.491 1.00 0.00 C ATOM 1364 O SER A 117 5.707 -6.596 -7.775 1.00 0.00 O ATOM 1365 CB SER A 117 3.691 -4.008 -8.389 1.00 0.00 C ATOM 1366 OG SER A 117 3.441 -4.836 -9.512 1.00 0.00 O ATOM 0 H SER A 117 3.848 -3.066 -6.112 1.00 0.00 H new ATOM 0 HA SER A 117 3.487 -5.655 -7.028 1.00 0.00 H new ATOM 0 HB2 SER A 117 2.780 -3.474 -8.117 1.00 0.00 H new ATOM 0 HB3 SER A 117 4.437 -3.256 -8.647 1.00 0.00 H new ATOM 0 HG SER A 117 3.128 -4.286 -10.260 1.00 0.00 H new ATOM 1372 N ASP A 118 6.576 -4.550 -7.409 1.00 0.00 N ATOM 1373 CA ASP A 118 7.949 -4.967 -7.655 1.00 0.00 C ATOM 1374 C ASP A 118 8.379 -6.017 -6.636 1.00 0.00 C ATOM 1375 O ASP A 118 9.176 -6.904 -6.940 1.00 0.00 O ATOM 1376 CB ASP A 118 8.891 -3.764 -7.594 1.00 0.00 C ATOM 1377 CG ASP A 118 10.182 -4.001 -8.353 1.00 0.00 C ATOM 1378 OD1 ASP A 118 10.180 -3.842 -9.592 1.00 0.00 O ATOM 1379 OD2 ASP A 118 11.195 -4.347 -7.709 1.00 0.00 O ATOM 0 H ASP A 118 6.471 -3.563 -7.174 1.00 0.00 H new ATOM 0 HA ASP A 118 8.000 -5.404 -8.652 1.00 0.00 H new ATOM 0 HB2 ASP A 118 8.386 -2.890 -8.005 1.00 0.00 H new ATOM 0 HB3 ASP A 118 9.121 -3.539 -6.553 1.00 0.00 H new ATOM 1384 N MET A 119 7.838 -5.911 -5.425 1.00 0.00 N ATOM 1385 CA MET A 119 8.160 -6.853 -4.361 1.00 0.00 C ATOM 1386 C MET A 119 7.499 -8.201 -4.620 1.00 0.00 C ATOM 1387 O MET A 119 8.067 -9.249 -4.321 1.00 0.00 O ATOM 1388 CB MET A 119 7.710 -6.303 -3.006 1.00 0.00 C ATOM 1389 CG MET A 119 8.428 -6.936 -1.825 1.00 0.00 C ATOM 1390 SD MET A 119 8.030 -6.135 -0.259 1.00 0.00 S ATOM 1391 CE MET A 119 9.662 -5.959 0.456 1.00 0.00 C ATOM 0 H MET A 119 7.176 -5.183 -5.158 1.00 0.00 H new ATOM 0 HA MET A 119 9.241 -6.991 -4.344 1.00 0.00 H new ATOM 0 HB2 MET A 119 7.876 -5.226 -2.987 1.00 0.00 H new ATOM 0 HB3 MET A 119 6.637 -6.462 -2.896 1.00 0.00 H new ATOM 0 HG2 MET A 119 8.162 -7.991 -1.767 1.00 0.00 H new ATOM 0 HG3 MET A 119 9.504 -6.887 -1.990 1.00 0.00 H new ATOM 0 HE1 MET A 119 9.585 -5.962 1.543 1.00 0.00 H new ATOM 0 HE2 MET A 119 10.292 -6.789 0.134 1.00 0.00 H new ATOM 0 HE3 MET A 119 10.104 -5.019 0.126 1.00 0.00 H new ATOM 1401 N ARG A 120 6.295 -8.167 -5.183 1.00 0.00 N ATOM 1402 CA ARG A 120 5.559 -9.390 -5.486 1.00 0.00 C ATOM 1403 C ARG A 120 6.414 -10.345 -6.313 1.00 0.00 C ATOM 1404 O ARG A 120 6.472 -11.543 -6.035 1.00 0.00 O ATOM 1405 CB ARG A 120 4.268 -9.062 -6.239 1.00 0.00 C ATOM 1406 CG ARG A 120 3.203 -8.415 -5.367 1.00 0.00 C ATOM 1407 CD ARG A 120 1.807 -8.846 -5.783 1.00 0.00 C ATOM 1408 NE ARG A 120 1.562 -8.612 -7.205 1.00 0.00 N ATOM 1409 CZ ARG A 120 0.578 -9.186 -7.892 1.00 0.00 C ATOM 1410 NH1 ARG A 120 -0.256 -10.028 -7.294 1.00 0.00 N ATOM 1411 NH2 ARG A 120 0.426 -8.917 -9.181 1.00 0.00 N ATOM 0 H ARG A 120 5.809 -7.307 -5.438 1.00 0.00 H new ATOM 0 HA ARG A 120 5.307 -9.876 -4.544 1.00 0.00 H new ATOM 0 HB2 ARG A 120 4.501 -8.395 -7.069 1.00 0.00 H new ATOM 0 HB3 ARG A 120 3.865 -9.979 -6.670 1.00 0.00 H new ATOM 0 HG2 ARG A 120 3.372 -8.683 -4.324 1.00 0.00 H new ATOM 0 HG3 ARG A 120 3.285 -7.330 -5.434 1.00 0.00 H new ATOM 0 HD2 ARG A 120 1.674 -9.905 -5.562 1.00 0.00 H new ATOM 0 HD3 ARG A 120 1.069 -8.302 -5.194 1.00 0.00 H new ATOM 0 HE ARG A 120 2.182 -7.971 -7.700 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -0.144 -10.238 -6.302 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -1.008 -10.465 -7.826 1.00 0.00 H new ATOM 0 HH21 ARG A 120 1.063 -8.270 -9.646 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -0.328 -9.357 -9.708 1.00 0.00 H new ATOM 1425 N GLU A 121 7.081 -9.803 -7.328 1.00 0.00 N ATOM 1426 CA GLU A 121 7.938 -10.605 -8.193 1.00 0.00 C ATOM 1427 C GLU A 121 9.313 -10.805 -7.561 1.00 0.00 C ATOM 1428 O GLU A 121 9.939 -11.851 -7.731 1.00 0.00 O ATOM 1429 CB GLU A 121 8.084 -9.939 -9.563 1.00 0.00 C ATOM 1430 CG GLU A 121 7.138 -10.495 -10.614 1.00 0.00 C ATOM 1431 CD GLU A 121 7.453 -9.990 -12.008 1.00 0.00 C ATOM 1432 OE1 GLU A 121 8.649 -9.804 -12.315 1.00 0.00 O ATOM 1433 OE2 GLU A 121 6.503 -9.779 -12.792 1.00 0.00 O ATOM 0 H GLU A 121 7.044 -8.813 -7.571 1.00 0.00 H new ATOM 0 HA GLU A 121 7.471 -11.582 -8.321 1.00 0.00 H new ATOM 0 HB2 GLU A 121 7.908 -8.868 -9.458 1.00 0.00 H new ATOM 0 HB3 GLU A 121 9.110 -10.061 -9.909 1.00 0.00 H new ATOM 0 HG2 GLU A 121 7.191 -11.584 -10.605 1.00 0.00 H new ATOM 0 HG3 GLU A 121 6.114 -10.224 -10.356 1.00 0.00 H new ATOM 1440 N ALA A 122 9.776 -9.795 -6.832 1.00 0.00 N ATOM 1441 CA ALA A 122 11.077 -9.859 -6.175 1.00 0.00 C ATOM 1442 C ALA A 122 11.070 -10.871 -5.033 1.00 0.00 C ATOM 1443 O ALA A 122 11.838 -11.833 -5.040 1.00 0.00 O ATOM 1444 CB ALA A 122 11.476 -8.484 -5.661 1.00 0.00 C ATOM 0 H ALA A 122 9.270 -8.922 -6.681 1.00 0.00 H new ATOM 0 HA ALA A 122 11.811 -10.188 -6.911 1.00 0.00 H new ATOM 0 HB1 ALA A 122 12.449 -8.546 -5.173 1.00 0.00 H new ATOM 0 HB2 ALA A 122 11.533 -7.786 -6.496 1.00 0.00 H new ATOM 0 HB3 ALA A 122 10.733 -8.133 -4.945 1.00 0.00 H new ATOM 1450 N LEU A 123 10.199 -10.647 -4.053 1.00 0.00 N ATOM 1451 CA LEU A 123 10.093 -11.540 -2.902 1.00 0.00 C ATOM 1452 C LEU A 123 9.891 -12.985 -3.349 1.00 0.00 C ATOM 1453 O LEU A 123 10.523 -13.902 -2.824 1.00 0.00 O ATOM 1454 CB LEU A 123 8.936 -11.103 -1.996 1.00 0.00 C ATOM 1455 CG LEU A 123 9.316 -10.844 -0.537 1.00 0.00 C ATOM 1456 CD1 LEU A 123 10.482 -9.870 -0.453 1.00 0.00 C ATOM 1457 CD2 LEU A 123 8.118 -10.315 0.238 1.00 0.00 C ATOM 0 H LEU A 123 9.556 -9.855 -4.032 1.00 0.00 H new ATOM 0 HA LEU A 123 11.026 -11.482 -2.341 1.00 0.00 H new ATOM 0 HB2 LEU A 123 8.496 -10.194 -2.407 1.00 0.00 H new ATOM 0 HB3 LEU A 123 8.164 -11.872 -2.023 1.00 0.00 H new ATOM 0 HG LEU A 123 9.627 -11.788 -0.088 1.00 0.00 H new ATOM 0 HD11 LEU A 123 10.738 -9.698 0.592 1.00 0.00 H new ATOM 0 HD12 LEU A 123 11.344 -10.288 -0.973 1.00 0.00 H new ATOM 0 HD13 LEU A 123 10.201 -8.925 -0.918 1.00 0.00 H new ATOM 0 HD21 LEU A 123 8.405 -10.136 1.274 1.00 0.00 H new ATOM 0 HD22 LEU A 123 7.778 -9.382 -0.211 1.00 0.00 H new ATOM 0 HD23 LEU A 123 7.312 -11.048 0.206 1.00 0.00 H new ATOM 1469 N GLN A 124 9.008 -13.180 -4.323 1.00 0.00 N ATOM 1470 CA GLN A 124 8.726 -14.513 -4.842 1.00 0.00 C ATOM 1471 C GLN A 124 9.983 -15.140 -5.437 1.00 0.00 C ATOM 1472 O GLN A 124 10.239 -16.331 -5.261 1.00 0.00 O ATOM 1473 CB GLN A 124 7.622 -14.449 -5.899 1.00 0.00 C ATOM 1474 CG GLN A 124 6.230 -14.697 -5.341 1.00 0.00 C ATOM 1475 CD GLN A 124 5.161 -14.676 -6.416 1.00 0.00 C ATOM 1476 OE1 GLN A 124 4.873 -15.696 -7.041 1.00 0.00 O ATOM 1477 NE2 GLN A 124 4.565 -13.509 -6.635 1.00 0.00 N ATOM 0 H GLN A 124 8.476 -12.432 -4.768 1.00 0.00 H new ATOM 0 HA GLN A 124 8.388 -15.136 -4.014 1.00 0.00 H new ATOM 0 HB2 GLN A 124 7.644 -13.469 -6.376 1.00 0.00 H new ATOM 0 HB3 GLN A 124 7.830 -15.186 -6.675 1.00 0.00 H new ATOM 0 HG2 GLN A 124 6.212 -15.662 -4.834 1.00 0.00 H new ATOM 0 HG3 GLN A 124 6.002 -13.939 -4.592 1.00 0.00 H new ATOM 0 HE21 GLN A 124 4.836 -12.688 -6.093 1.00 0.00 H new ATOM 0 HE22 GLN A 124 3.837 -13.434 -7.345 1.00 0.00 H new ATOM 1486 N HIS A 125 10.765 -14.327 -6.140 1.00 0.00 N ATOM 1487 CA HIS A 125 11.997 -14.798 -6.761 1.00 0.00 C ATOM 1488 C HIS A 125 13.097 -14.970 -5.719 1.00 0.00 C ATOM 1489 O HIS A 125 13.960 -15.839 -5.850 1.00 0.00 O ATOM 1490 CB HIS A 125 12.454 -13.821 -7.846 1.00 0.00 C ATOM 1491 CG HIS A 125 11.675 -13.934 -9.120 1.00 0.00 C ATOM 1492 ND1 HIS A 125 10.429 -14.522 -9.192 1.00 0.00 N ATOM 1493 CD2 HIS A 125 11.970 -13.528 -10.378 1.00 0.00 C ATOM 1494 CE1 HIS A 125 9.993 -14.475 -10.438 1.00 0.00 C ATOM 1495 NE2 HIS A 125 10.909 -13.877 -11.177 1.00 0.00 N ATOM 0 H HIS A 125 10.567 -13.338 -6.294 1.00 0.00 H new ATOM 0 HA HIS A 125 11.797 -15.767 -7.218 1.00 0.00 H new ATOM 0 HB2 HIS A 125 12.368 -12.803 -7.466 1.00 0.00 H new ATOM 0 HB3 HIS A 125 13.509 -13.994 -8.058 1.00 0.00 H new ATOM 0 HD2 HIS A 125 12.871 -13.024 -10.694 1.00 0.00 H new ATOM 0 HE1 HIS A 125 9.048 -14.860 -10.792 1.00 0.00 H new ATOM 0 HE2 HIS A 125 10.840 -13.702 -12.180 1.00 0.00 H new ATOM 1504 N ALA A 126 13.060 -14.137 -4.684 1.00 0.00 N ATOM 1505 CA ALA A 126 14.053 -14.198 -3.619 1.00 0.00 C ATOM 1506 C ALA A 126 13.787 -15.378 -2.691 1.00 0.00 C ATOM 1507 O ALA A 126 14.717 -15.986 -2.162 1.00 0.00 O ATOM 1508 CB ALA A 126 14.060 -12.897 -2.830 1.00 0.00 C ATOM 0 H ALA A 126 12.353 -13.412 -4.561 1.00 0.00 H new ATOM 0 HA ALA A 126 15.033 -14.339 -4.075 1.00 0.00 H new ATOM 0 HB1 ALA A 126 14.806 -12.956 -2.038 1.00 0.00 H new ATOM 0 HB2 ALA A 126 14.303 -12.069 -3.496 1.00 0.00 H new ATOM 0 HB3 ALA A 126 13.076 -12.733 -2.390 1.00 0.00 H new ATOM 1514 N MET A 127 12.511 -15.697 -2.499 1.00 0.00 N ATOM 1515 CA MET A 127 12.122 -16.806 -1.636 1.00 0.00 C ATOM 1516 C MET A 127 12.669 -18.127 -2.168 1.00 0.00 C ATOM 1517 O MET A 127 13.338 -18.868 -1.448 1.00 0.00 O ATOM 1518 CB MET A 127 10.599 -16.881 -1.521 1.00 0.00 C ATOM 1519 CG MET A 127 10.116 -17.437 -0.192 1.00 0.00 C ATOM 1520 SD MET A 127 8.378 -17.919 -0.230 1.00 0.00 S ATOM 1521 CE MET A 127 7.627 -16.426 -0.873 1.00 0.00 C ATOM 0 H MET A 127 11.729 -15.203 -2.929 1.00 0.00 H new ATOM 0 HA MET A 127 12.545 -16.630 -0.647 1.00 0.00 H new ATOM 0 HB2 MET A 127 10.183 -15.883 -1.661 1.00 0.00 H new ATOM 0 HB3 MET A 127 10.212 -17.504 -2.328 1.00 0.00 H new ATOM 0 HG2 MET A 127 10.723 -18.301 0.078 1.00 0.00 H new ATOM 0 HG3 MET A 127 10.264 -16.688 0.586 1.00 0.00 H new ATOM 0 HE1 MET A 127 6.614 -16.331 -0.482 1.00 0.00 H new ATOM 0 HE2 MET A 127 8.216 -15.562 -0.567 1.00 0.00 H new ATOM 0 HE3 MET A 127 7.593 -16.475 -1.961 1.00 0.00 H new ATOM 1531 N GLY A 128 12.381 -18.415 -3.433 1.00 0.00 N ATOM 1532 CA GLY A 128 12.853 -19.647 -4.037 1.00 0.00 C ATOM 1533 C GLY A 128 12.291 -19.864 -5.428 1.00 0.00 C ATOM 1534 O GLY A 128 11.953 -20.988 -5.799 1.00 0.00 O ATOM 0 H GLY A 128 11.830 -17.818 -4.050 1.00 0.00 H new ATOM 0 HA2 GLY A 128 13.942 -19.629 -4.087 1.00 0.00 H new ATOM 0 HA3 GLY A 128 12.577 -20.488 -3.402 1.00 0.00 H new ATOM 1538 N ILE A 129 12.191 -18.787 -6.199 1.00 0.00 N ATOM 1539 CA ILE A 129 11.666 -18.866 -7.557 1.00 0.00 C ATOM 1540 C ILE A 129 12.609 -18.194 -8.549 1.00 0.00 C ATOM 1541 O ILE A 129 13.395 -17.321 -8.180 1.00 0.00 O ATOM 1542 CB ILE A 129 10.276 -18.209 -7.663 1.00 0.00 C ATOM 1543 CG1 ILE A 129 9.367 -18.701 -6.535 1.00 0.00 C ATOM 1544 CG2 ILE A 129 9.653 -18.504 -9.019 1.00 0.00 C ATOM 1545 CD1 ILE A 129 8.094 -17.896 -6.391 1.00 0.00 C ATOM 0 H ILE A 129 12.466 -17.849 -5.907 1.00 0.00 H new ATOM 0 HA ILE A 129 11.578 -19.925 -7.801 1.00 0.00 H new ATOM 0 HB ILE A 129 10.393 -17.130 -7.565 1.00 0.00 H new ATOM 0 HG12 ILE A 129 9.109 -19.744 -6.716 1.00 0.00 H new ATOM 0 HG13 ILE A 129 9.917 -18.667 -5.595 1.00 0.00 H new ATOM 0 HG21 ILE A 129 8.672 -18.033 -9.079 1.00 0.00 H new ATOM 0 HG22 ILE A 129 10.294 -18.109 -9.807 1.00 0.00 H new ATOM 0 HG23 ILE A 129 9.547 -19.582 -9.144 1.00 0.00 H new ATOM 0 HD11 ILE A 129 7.498 -18.301 -5.573 1.00 0.00 H new ATOM 0 HD12 ILE A 129 8.343 -16.856 -6.179 1.00 0.00 H new ATOM 0 HD13 ILE A 129 7.522 -17.950 -7.317 1.00 0.00 H new