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 105 ASN : amide:sc= -3.45 K(o=-15,f=-22!) USER MOD Set 1.2: A 109 MET CE :methyl -109:sc= -11.8! (180deg=-19.3!) USER MOD Set 2.1: A 54 HIS : no HD1:sc= -1.28 K(o=-1.3,f=-2.8!) USER MOD Set 2.2: A 58 SER OG : rot -160:sc= 0 USER MOD Set 2.3: A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.661 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0.0431 USER MOD Single : A 35 GLN : amide:sc= -3.17 K(o=-3.2,f=-9.1!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 HIS :FLIP no HD1:sc= -1.48 F(o=-3.2!,f=-1.5) USER MOD Single : A 42 GLN :FLIP amide:sc= -0.696 F(o=-2.3,f=-0.7) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -3.22 X(o=-3.2,f=-2.9!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.0978 X(o=-0.098,f=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.204 X(o=-0.2,f=-0.24) USER MOD Single : A 70 ASN : amide:sc= -0.0206 X(o=-0.021,f=-0.36) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,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 : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 THR OG1 : rot 75:sc= -2.47! USER MOD Single : A 77 GLN : amide:sc= -0.087 X(o=-0.087,f=-0.37) USER MOD Single : A 79 THR OG1 : rot 10:sc= -2.85 USER MOD Single : A 82 MET CE :methyl 171:sc= 0 (180deg=-0.0701) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= -1.73 K(o=-1.7,f=-4.9!) USER MOD Single : A 87 HIS : no HE2:sc= -1.25 K(o=-1.3,f=-2.8!) USER MOD Single : A 103 HIS : no HD1:sc= -6.96! C(o=-7!,f=-8.4!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 66:sc= 0.0497 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 119 MET CE :methyl 159:sc= -0.481 (180deg=-2.48) USER MOD Single : A 124 GLN : amide:sc= -0.0989 X(o=-0.099,f=0) USER MOD Single : A 125 HIS : no HD1:sc= -0.423 X(o=-0.42,f=-0.0035) USER MOD Single : A 127 MET CE :methyl -127:sc=-0.00109 (180deg=-0.69) USER MOD ----------------------------------------------------------------- ATOM 43 N THR A 32 -14.085 11.098 -7.705 1.00 0.00 N ATOM 44 CA THR A 32 -15.360 10.832 -7.046 1.00 0.00 C ATOM 45 C THR A 32 -15.146 10.235 -5.659 1.00 0.00 C ATOM 46 O THR A 32 -14.074 9.711 -5.356 1.00 0.00 O ATOM 47 CB THR A 32 -16.212 9.881 -7.890 1.00 0.00 C ATOM 48 OG1 THR A 32 -15.800 8.539 -7.701 1.00 0.00 O ATOM 49 CG2 THR A 32 -16.152 10.173 -9.374 1.00 0.00 C ATOM 0 HA THR A 32 -15.883 11.782 -6.939 1.00 0.00 H new ATOM 0 HB THR A 32 -17.236 10.035 -7.549 1.00 0.00 H new ATOM 0 HG1 THR A 32 -16.357 7.946 -8.247 1.00 0.00 H new ATOM 0 HG21 THR A 32 -16.779 9.461 -9.911 1.00 0.00 H new ATOM 0 HG22 THR A 32 -16.511 11.185 -9.560 1.00 0.00 H new ATOM 0 HG23 THR A 32 -15.123 10.084 -9.721 1.00 0.00 H new ATOM 57 N SER A 33 -16.177 10.311 -4.823 1.00 0.00 N ATOM 58 CA SER A 33 -16.104 9.769 -3.472 1.00 0.00 C ATOM 59 C SER A 33 -15.907 8.258 -3.513 1.00 0.00 C ATOM 60 O SER A 33 -15.151 7.697 -2.718 1.00 0.00 O ATOM 61 CB SER A 33 -17.375 10.110 -2.692 1.00 0.00 C ATOM 62 OG SER A 33 -17.643 11.501 -2.735 1.00 0.00 O ATOM 0 H SER A 33 -17.071 10.742 -5.058 1.00 0.00 H new ATOM 0 HA SER A 33 -15.249 10.220 -2.967 1.00 0.00 H new ATOM 0 HB2 SER A 33 -18.219 9.561 -3.109 1.00 0.00 H new ATOM 0 HB3 SER A 33 -17.266 9.789 -1.656 1.00 0.00 H new ATOM 0 HG SER A 33 -18.461 11.692 -2.231 1.00 0.00 H new ATOM 68 N SER A 34 -16.585 7.606 -4.452 1.00 0.00 N ATOM 69 CA SER A 34 -16.476 6.161 -4.606 1.00 0.00 C ATOM 70 C SER A 34 -15.072 5.784 -5.060 1.00 0.00 C ATOM 71 O SER A 34 -14.567 4.711 -4.732 1.00 0.00 O ATOM 72 CB SER A 34 -17.508 5.651 -5.614 1.00 0.00 C ATOM 73 OG SER A 34 -18.651 6.489 -5.642 1.00 0.00 O ATOM 0 H SER A 34 -17.215 8.055 -5.117 1.00 0.00 H new ATOM 0 HA SER A 34 -16.672 5.695 -3.640 1.00 0.00 H new ATOM 0 HB2 SER A 34 -17.061 5.608 -6.607 1.00 0.00 H new ATOM 0 HB3 SER A 34 -17.804 4.635 -5.353 1.00 0.00 H new ATOM 0 HG SER A 34 -19.295 6.143 -6.295 1.00 0.00 H new ATOM 79 N GLN A 35 -14.446 6.683 -5.811 1.00 0.00 N ATOM 80 CA GLN A 35 -13.096 6.460 -6.308 1.00 0.00 C ATOM 81 C GLN A 35 -12.094 6.505 -5.164 1.00 0.00 C ATOM 82 O GLN A 35 -11.151 5.715 -5.119 1.00 0.00 O ATOM 83 CB GLN A 35 -12.744 7.514 -7.353 1.00 0.00 C ATOM 84 CG GLN A 35 -11.802 7.015 -8.436 1.00 0.00 C ATOM 85 CD GLN A 35 -10.492 6.497 -7.876 1.00 0.00 C ATOM 86 OE1 GLN A 35 -10.279 5.288 -7.780 1.00 0.00 O ATOM 87 NE2 GLN A 35 -9.605 7.412 -7.503 1.00 0.00 N ATOM 0 H GLN A 35 -14.854 7.575 -6.089 1.00 0.00 H new ATOM 0 HA GLN A 35 -13.053 5.473 -6.769 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -13.662 7.870 -7.820 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -12.288 8.369 -6.854 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -12.291 6.221 -9.000 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -11.598 7.825 -9.137 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -9.823 8.404 -7.600 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -8.705 7.123 -7.119 1.00 0.00 H new ATOM 96 N LEU A 36 -12.312 7.428 -4.231 1.00 0.00 N ATOM 97 CA LEU A 36 -11.434 7.565 -3.076 1.00 0.00 C ATOM 98 C LEU A 36 -11.284 6.223 -2.372 1.00 0.00 C ATOM 99 O LEU A 36 -10.171 5.768 -2.099 1.00 0.00 O ATOM 100 CB LEU A 36 -11.989 8.609 -2.103 1.00 0.00 C ATOM 101 CG LEU A 36 -11.392 10.010 -2.244 1.00 0.00 C ATOM 102 CD1 LEU A 36 -9.906 9.993 -1.919 1.00 0.00 C ATOM 103 CD2 LEU A 36 -11.627 10.550 -3.646 1.00 0.00 C ATOM 0 H LEU A 36 -13.088 8.090 -4.253 1.00 0.00 H new ATOM 0 HA LEU A 36 -10.455 7.897 -3.421 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -13.068 8.675 -2.242 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -11.820 8.260 -1.084 1.00 0.00 H new ATOM 0 HG LEU A 36 -11.890 10.670 -1.534 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.499 10.999 -2.025 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.761 9.649 -0.895 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -9.391 9.319 -2.604 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -11.196 11.548 -3.729 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -11.156 9.890 -4.374 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -12.698 10.600 -3.842 1.00 0.00 H new ATOM 115 N LEU A 37 -12.416 5.583 -2.096 1.00 0.00 N ATOM 116 CA LEU A 37 -12.408 4.286 -1.441 1.00 0.00 C ATOM 117 C LEU A 37 -12.133 3.171 -2.449 1.00 0.00 C ATOM 118 O LEU A 37 -11.784 2.054 -2.071 1.00 0.00 O ATOM 119 CB LEU A 37 -13.732 4.033 -0.714 1.00 0.00 C ATOM 120 CG LEU A 37 -14.940 3.790 -1.619 1.00 0.00 C ATOM 121 CD1 LEU A 37 -15.162 2.299 -1.818 1.00 0.00 C ATOM 122 CD2 LEU A 37 -16.184 4.442 -1.035 1.00 0.00 C ATOM 0 H LEU A 37 -13.345 5.942 -2.316 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.606 4.289 -0.702 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -13.609 3.169 -0.061 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.945 4.889 -0.074 1.00 0.00 H new ATOM 0 HG LEU A 37 -14.740 4.242 -2.591 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -16.026 2.143 -2.465 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -14.279 1.858 -2.280 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -15.341 1.826 -0.853 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -17.034 4.259 -1.693 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -16.389 4.019 -0.051 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -16.022 5.516 -0.942 1.00 0.00 H new ATOM 134 N SER A 38 -12.281 3.475 -3.738 1.00 0.00 N ATOM 135 CA SER A 38 -12.033 2.485 -4.778 1.00 0.00 C ATOM 136 C SER A 38 -10.545 2.160 -4.869 1.00 0.00 C ATOM 137 O SER A 38 -10.162 1.061 -5.273 1.00 0.00 O ATOM 138 CB SER A 38 -12.537 2.994 -6.129 1.00 0.00 C ATOM 139 OG SER A 38 -12.365 2.015 -7.139 1.00 0.00 O ATOM 0 H SER A 38 -12.569 4.391 -4.082 1.00 0.00 H new ATOM 0 HA SER A 38 -12.574 1.575 -4.517 1.00 0.00 H new ATOM 0 HB2 SER A 38 -13.591 3.259 -6.051 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.999 3.902 -6.403 1.00 0.00 H new ATOM 0 HG SER A 38 -12.696 2.364 -7.993 1.00 0.00 H new ATOM 145 N VAL A 39 -9.709 3.123 -4.489 1.00 0.00 N ATOM 146 CA VAL A 39 -8.266 2.937 -4.529 1.00 0.00 C ATOM 147 C VAL A 39 -7.755 2.348 -3.222 1.00 0.00 C ATOM 148 O VAL A 39 -6.827 1.539 -3.217 1.00 0.00 O ATOM 149 CB VAL A 39 -7.536 4.263 -4.810 1.00 0.00 C ATOM 150 CG1 VAL A 39 -6.049 4.022 -5.017 1.00 0.00 C ATOM 151 CG2 VAL A 39 -8.144 4.960 -6.018 1.00 0.00 C ATOM 0 H VAL A 39 -10.008 4.038 -4.151 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.056 2.242 -5.342 1.00 0.00 H new ATOM 0 HB VAL A 39 -7.657 4.914 -3.944 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.551 4.971 -5.214 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.626 3.569 -4.120 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.903 3.353 -5.865 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.616 5.896 -6.202 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.056 4.315 -6.892 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -9.196 5.169 -5.826 1.00 0.00 H new ATOM 161 N ARG A 40 -8.366 2.749 -2.112 1.00 0.00 N ATOM 162 CA ARG A 40 -7.962 2.242 -0.807 1.00 0.00 C ATOM 163 C ARG A 40 -8.290 0.758 -0.686 1.00 0.00 C ATOM 164 O ARG A 40 -7.653 0.031 0.077 1.00 0.00 O ATOM 165 CB ARG A 40 -8.640 3.032 0.316 1.00 0.00 C ATOM 166 CG ARG A 40 -10.141 2.798 0.423 1.00 0.00 C ATOM 167 CD ARG A 40 -10.484 1.542 1.213 1.00 0.00 C ATOM 168 NE ARG A 40 -9.605 1.345 2.365 1.00 0.00 N ATOM 169 CZ ARG A 40 -9.367 0.161 2.925 1.00 0.00 C ATOM 170 NH1 ARG A 40 -9.945 -0.936 2.451 1.00 0.00 N ATOM 171 NH2 ARG A 40 -8.551 0.073 3.967 1.00 0.00 N ATOM 0 H ARG A 40 -9.136 3.418 -2.090 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.884 2.368 -0.711 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -8.173 2.767 1.265 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.459 4.095 0.158 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -10.606 3.661 0.900 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.565 2.720 -0.578 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -11.517 1.603 1.555 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.416 0.674 0.557 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.147 2.164 2.764 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.576 -0.875 1.652 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -9.758 -1.840 2.885 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.106 0.912 4.339 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -8.368 -0.834 4.397 1.00 0.00 H new ATOM 185 N HIS A 41 -9.284 0.314 -1.450 1.00 0.00 N ATOM 186 CA HIS A 41 -9.692 -1.084 -1.434 1.00 0.00 C ATOM 187 C HIS A 41 -8.767 -1.924 -2.308 1.00 0.00 C ATOM 188 O HIS A 41 -8.387 -3.035 -1.939 1.00 0.00 O ATOM 189 CB HIS A 41 -11.136 -1.224 -1.921 1.00 0.00 C ATOM 190 CG HIS A 41 -12.157 -0.974 -0.854 1.00 0.00 C ATOM 191 ND1 HIS A 41 -13.131 -0.039 -0.762 1.00 0.00 N flip ATOM 192 CD2 HIS A 41 -12.255 -1.738 0.290 1.00 0.00 C flip ATOM 193 CE1 HIS A 41 -13.792 -0.252 0.421 1.00 0.00 C flip ATOM 194 NE2 HIS A 41 -13.246 -1.283 1.037 1.00 0.00 N flip ATOM 0 H HIS A 41 -9.820 0.903 -2.087 1.00 0.00 H new ATOM 0 HA HIS A 41 -9.627 -1.445 -0.408 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -11.303 -0.527 -2.742 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -11.280 -2.228 -2.321 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -11.621 -2.577 0.537 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -14.624 0.330 0.788 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -13.539 -1.664 1.937 1.00 0.00 H new ATOM 203 N GLN A 42 -8.406 -1.386 -3.471 1.00 0.00 N ATOM 204 CA GLN A 42 -7.525 -2.091 -4.395 1.00 0.00 C ATOM 205 C GLN A 42 -6.086 -2.105 -3.881 1.00 0.00 C ATOM 206 O GLN A 42 -5.360 -3.083 -4.065 1.00 0.00 O ATOM 207 CB GLN A 42 -7.589 -1.449 -5.788 1.00 0.00 C ATOM 208 CG GLN A 42 -6.704 -0.221 -5.949 1.00 0.00 C ATOM 209 CD GLN A 42 -5.327 -0.562 -6.483 1.00 0.00 C ATOM 210 OE1 GLN A 42 -4.294 -0.184 -5.740 1.00 0.00 O flip ATOM 211 NE2 GLN A 42 -5.192 -1.160 -7.551 1.00 0.00 N flip ATOM 0 H GLN A 42 -8.709 -0.467 -3.794 1.00 0.00 H new ATOM 0 HA GLN A 42 -7.867 -3.123 -4.467 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.300 -2.192 -6.532 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -8.621 -1.170 -6.000 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.187 0.485 -6.625 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.603 0.278 -4.985 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.014 -1.432 -8.091 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -4.258 -1.383 -7.896 1.00 0.00 H new ATOM 220 N LEU A 43 -5.678 -1.014 -3.239 1.00 0.00 N ATOM 221 CA LEU A 43 -4.324 -0.906 -2.706 1.00 0.00 C ATOM 222 C LEU A 43 -4.164 -1.762 -1.454 1.00 0.00 C ATOM 223 O LEU A 43 -3.284 -2.619 -1.386 1.00 0.00 O ATOM 224 CB LEU A 43 -3.988 0.560 -2.394 1.00 0.00 C ATOM 225 CG LEU A 43 -2.496 0.941 -2.424 1.00 0.00 C ATOM 226 CD1 LEU A 43 -1.964 1.132 -1.011 1.00 0.00 C ATOM 227 CD2 LEU A 43 -1.666 -0.100 -3.167 1.00 0.00 C ATOM 0 H LEU A 43 -6.264 -0.195 -3.076 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.630 -1.272 -3.462 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.516 1.191 -3.108 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.382 0.798 -1.406 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.408 1.884 -2.964 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.908 1.401 -1.053 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.522 1.927 -0.517 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.080 0.205 -0.450 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.619 0.203 -3.168 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.764 -1.066 -2.671 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.021 -0.182 -4.194 1.00 0.00 H new ATOM 239 N ALA A 44 -5.022 -1.527 -0.466 1.00 0.00 N ATOM 240 CA ALA A 44 -4.977 -2.281 0.783 1.00 0.00 C ATOM 241 C ALA A 44 -5.018 -3.782 0.518 1.00 0.00 C ATOM 242 O ALA A 44 -4.397 -4.567 1.235 1.00 0.00 O ATOM 243 CB ALA A 44 -6.128 -1.872 1.689 1.00 0.00 C ATOM 0 H ALA A 44 -5.757 -0.821 -0.506 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.037 -2.051 1.284 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -6.081 -2.443 2.617 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.054 -0.808 1.913 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.075 -2.072 1.187 1.00 0.00 H new ATOM 249 N GLU A 45 -5.751 -4.174 -0.518 1.00 0.00 N ATOM 250 CA GLU A 45 -5.869 -5.581 -0.880 1.00 0.00 C ATOM 251 C GLU A 45 -4.508 -6.158 -1.253 1.00 0.00 C ATOM 252 O GLU A 45 -4.164 -7.272 -0.858 1.00 0.00 O ATOM 253 CB GLU A 45 -6.848 -5.750 -2.045 1.00 0.00 C ATOM 254 CG GLU A 45 -8.255 -6.124 -1.608 1.00 0.00 C ATOM 255 CD GLU A 45 -9.052 -6.786 -2.715 1.00 0.00 C ATOM 256 OE1 GLU A 45 -8.907 -6.366 -3.883 1.00 0.00 O ATOM 257 OE2 GLU A 45 -9.821 -7.723 -2.415 1.00 0.00 O ATOM 0 H GLU A 45 -6.272 -3.538 -1.121 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.250 -6.125 -0.016 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.888 -4.820 -2.613 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.469 -6.519 -2.718 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.199 -6.797 -0.753 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.778 -5.228 -1.274 1.00 0.00 H new ATOM 264 N SER A 46 -3.735 -5.390 -2.017 1.00 0.00 N ATOM 265 CA SER A 46 -2.410 -5.826 -2.443 1.00 0.00 C ATOM 266 C SER A 46 -1.324 -5.317 -1.495 1.00 0.00 C ATOM 267 O SER A 46 -0.136 -5.371 -1.816 1.00 0.00 O ATOM 268 CB SER A 46 -2.127 -5.339 -3.865 1.00 0.00 C ATOM 269 OG SER A 46 -2.771 -6.159 -4.824 1.00 0.00 O ATOM 0 H SER A 46 -4.003 -4.465 -2.353 1.00 0.00 H new ATOM 0 HA SER A 46 -2.395 -6.916 -2.423 1.00 0.00 H new ATOM 0 HB2 SER A 46 -2.468 -4.310 -3.975 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.052 -5.339 -4.045 1.00 0.00 H new ATOM 0 HG SER A 46 -2.575 -5.825 -5.724 1.00 0.00 H new ATOM 275 N ALA A 47 -1.733 -4.824 -0.328 1.00 0.00 N ATOM 276 CA ALA A 47 -0.786 -4.311 0.656 1.00 0.00 C ATOM 277 C ALA A 47 -0.682 -5.246 1.858 1.00 0.00 C ATOM 278 O ALA A 47 -1.175 -4.938 2.942 1.00 0.00 O ATOM 279 CB ALA A 47 -1.194 -2.915 1.105 1.00 0.00 C ATOM 0 H ALA A 47 -2.711 -4.769 -0.042 1.00 0.00 H new ATOM 0 HA ALA A 47 0.195 -4.257 0.185 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.478 -2.545 1.839 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.210 -2.246 0.245 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -2.187 -2.953 1.553 1.00 0.00 H new ATOM 285 N GLY A 48 -0.036 -6.391 1.657 1.00 0.00 N ATOM 286 CA GLY A 48 0.122 -7.352 2.733 1.00 0.00 C ATOM 287 C GLY A 48 0.502 -8.732 2.231 1.00 0.00 C ATOM 288 O GLY A 48 -0.274 -9.380 1.529 1.00 0.00 O ATOM 0 H GLY A 48 0.380 -6.670 0.769 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.887 -6.997 3.423 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.809 -7.418 3.296 1.00 0.00 H new ATOM 292 N LEU A 49 1.699 -9.183 2.594 1.00 0.00 N ATOM 293 CA LEU A 49 2.178 -10.496 2.176 1.00 0.00 C ATOM 294 C LEU A 49 1.308 -11.603 2.771 1.00 0.00 C ATOM 295 O LEU A 49 0.877 -11.509 3.921 1.00 0.00 O ATOM 296 CB LEU A 49 3.636 -10.688 2.601 1.00 0.00 C ATOM 297 CG LEU A 49 4.623 -9.689 1.994 1.00 0.00 C ATOM 298 CD1 LEU A 49 6.012 -9.890 2.576 1.00 0.00 C ATOM 299 CD2 LEU A 49 4.653 -9.824 0.478 1.00 0.00 C ATOM 0 H LEU A 49 2.354 -8.660 3.175 1.00 0.00 H new ATOM 0 HA LEU A 49 2.115 -10.553 1.089 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.694 -10.619 3.687 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.949 -11.696 2.328 1.00 0.00 H new ATOM 0 HG LEU A 49 4.290 -8.681 2.243 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.700 -9.170 2.132 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.979 -9.742 3.655 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.355 -10.902 2.358 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.360 -9.106 0.063 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.961 -10.834 0.209 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.659 -9.629 0.076 1.00 0.00 H new ATOM 311 N PRO A 50 1.028 -12.667 1.995 1.00 0.00 N ATOM 312 CA PRO A 50 0.196 -13.782 2.460 1.00 0.00 C ATOM 313 C PRO A 50 0.746 -14.440 3.726 1.00 0.00 C ATOM 314 O PRO A 50 0.231 -14.213 4.821 1.00 0.00 O ATOM 315 CB PRO A 50 0.202 -14.764 1.280 1.00 0.00 C ATOM 316 CG PRO A 50 0.578 -13.942 0.095 1.00 0.00 C ATOM 317 CD PRO A 50 1.488 -12.863 0.609 1.00 0.00 C ATOM 0 HA PRO A 50 -0.804 -13.449 2.737 1.00 0.00 H new ATOM 0 HB2 PRO A 50 0.916 -15.572 1.442 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -0.776 -15.225 1.146 1.00 0.00 H new ATOM 0 HG2 PRO A 50 1.080 -14.550 -0.658 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -0.305 -13.514 -0.379 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.534 -13.167 0.571 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.400 -11.949 0.022 1.00 0.00 H new ATOM 325 N ARG A 51 1.788 -15.256 3.579 1.00 0.00 N ATOM 326 CA ARG A 51 2.385 -15.937 4.723 1.00 0.00 C ATOM 327 C ARG A 51 3.884 -16.151 4.525 1.00 0.00 C ATOM 328 O ARG A 51 4.705 -15.520 5.190 1.00 0.00 O ATOM 329 CB ARG A 51 1.692 -17.280 4.961 1.00 0.00 C ATOM 330 CG ARG A 51 1.534 -17.631 6.431 1.00 0.00 C ATOM 331 CD ARG A 51 1.727 -19.120 6.673 1.00 0.00 C ATOM 332 NE ARG A 51 1.091 -19.562 7.911 1.00 0.00 N ATOM 333 CZ ARG A 51 1.621 -19.387 9.120 1.00 0.00 C ATOM 334 NH1 ARG A 51 2.793 -18.780 9.258 1.00 0.00 N ATOM 335 NH2 ARG A 51 0.976 -19.821 10.194 1.00 0.00 N ATOM 0 H ARG A 51 2.233 -15.460 2.684 1.00 0.00 H new ATOM 0 HA ARG A 51 2.247 -15.301 5.598 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.708 -17.259 4.493 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.263 -18.067 4.468 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.258 -17.069 7.020 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.543 -17.331 6.773 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.314 -19.680 5.834 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.793 -19.345 6.713 1.00 0.00 H new ATOM 0 HE ARG A 51 0.188 -20.032 7.846 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.293 -18.444 8.435 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.193 -18.649 10.187 1.00 0.00 H new ATOM 0 HH21 ARG A 51 0.075 -20.288 10.094 1.00 0.00 H new ATOM 0 HH22 ARG A 51 1.381 -19.688 11.121 1.00 0.00 H new ATOM 349 N ASP A 52 4.232 -17.052 3.611 1.00 0.00 N ATOM 350 CA ASP A 52 5.631 -17.361 3.329 1.00 0.00 C ATOM 351 C ASP A 52 6.401 -16.109 2.924 1.00 0.00 C ATOM 352 O ASP A 52 7.558 -15.929 3.305 1.00 0.00 O ATOM 353 CB ASP A 52 5.728 -18.415 2.223 1.00 0.00 C ATOM 354 CG ASP A 52 6.063 -19.791 2.766 1.00 0.00 C ATOM 355 OD1 ASP A 52 5.311 -20.287 3.631 1.00 0.00 O ATOM 356 OD2 ASP A 52 7.077 -20.372 2.326 1.00 0.00 O ATOM 0 H ASP A 52 3.563 -17.582 3.052 1.00 0.00 H new ATOM 0 HA ASP A 52 6.078 -17.756 4.241 1.00 0.00 H new ATOM 0 HB2 ASP A 52 4.782 -18.460 1.684 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.491 -18.115 1.504 1.00 0.00 H new ATOM 361 N GLN A 53 5.754 -15.246 2.148 1.00 0.00 N ATOM 362 CA GLN A 53 6.381 -14.012 1.689 1.00 0.00 C ATOM 363 C GLN A 53 6.886 -13.184 2.867 1.00 0.00 C ATOM 364 O GLN A 53 7.999 -12.658 2.836 1.00 0.00 O ATOM 365 CB GLN A 53 5.391 -13.193 0.858 1.00 0.00 C ATOM 366 CG GLN A 53 5.512 -13.430 -0.638 1.00 0.00 C ATOM 367 CD GLN A 53 4.358 -12.832 -1.418 1.00 0.00 C ATOM 368 OE1 GLN A 53 4.422 -11.686 -1.863 1.00 0.00 O ATOM 369 NE2 GLN A 53 3.294 -13.608 -1.589 1.00 0.00 N ATOM 0 H GLN A 53 4.796 -15.378 1.824 1.00 0.00 H new ATOM 0 HA GLN A 53 7.235 -14.277 1.066 1.00 0.00 H new ATOM 0 HB2 GLN A 53 4.376 -13.434 1.175 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.546 -12.134 1.063 1.00 0.00 H new ATOM 0 HG2 GLN A 53 6.448 -13.001 -0.995 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.559 -14.502 -0.830 1.00 0.00 H new ATOM 0 HE21 GLN A 53 3.284 -14.552 -1.203 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.487 -13.260 -2.107 1.00 0.00 H new ATOM 378 N HIS A 54 6.062 -13.071 3.905 1.00 0.00 N ATOM 379 CA HIS A 54 6.425 -12.305 5.092 1.00 0.00 C ATOM 380 C HIS A 54 7.502 -13.020 5.902 1.00 0.00 C ATOM 381 O HIS A 54 8.488 -12.411 6.317 1.00 0.00 O ATOM 382 CB HIS A 54 5.192 -12.063 5.967 1.00 0.00 C ATOM 383 CG HIS A 54 5.482 -11.268 7.203 1.00 0.00 C ATOM 384 ND1 HIS A 54 6.309 -11.720 8.211 1.00 0.00 N ATOM 385 CD2 HIS A 54 5.056 -10.042 7.589 1.00 0.00 C ATOM 386 CE1 HIS A 54 6.378 -10.807 9.163 1.00 0.00 C ATOM 387 NE2 HIS A 54 5.627 -9.779 8.810 1.00 0.00 N ATOM 0 H HIS A 54 5.138 -13.501 3.948 1.00 0.00 H new ATOM 0 HA HIS A 54 6.824 -11.346 4.761 1.00 0.00 H new ATOM 0 HB2 HIS A 54 4.436 -11.543 5.379 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.766 -13.024 6.255 1.00 0.00 H new ATOM 0 HD2 HIS A 54 4.391 -9.392 7.039 1.00 0.00 H new ATOM 0 HE1 HIS A 54 6.951 -10.887 10.075 1.00 0.00 H new ATOM 0 HE2 HIS A 54 5.493 -8.928 9.356 1.00 0.00 H new ATOM 396 N GLU A 55 7.305 -14.315 6.128 1.00 0.00 N ATOM 397 CA GLU A 55 8.255 -15.116 6.894 1.00 0.00 C ATOM 398 C GLU A 55 9.671 -14.991 6.336 1.00 0.00 C ATOM 399 O GLU A 55 10.649 -15.217 7.047 1.00 0.00 O ATOM 400 CB GLU A 55 7.827 -16.584 6.898 1.00 0.00 C ATOM 401 CG GLU A 55 6.741 -16.898 7.915 1.00 0.00 C ATOM 402 CD GLU A 55 7.033 -18.156 8.710 1.00 0.00 C ATOM 403 OE1 GLU A 55 8.183 -18.315 9.169 1.00 0.00 O ATOM 404 OE2 GLU A 55 6.110 -18.981 8.875 1.00 0.00 O ATOM 0 H GLU A 55 6.494 -14.834 5.791 1.00 0.00 H new ATOM 0 HA GLU A 55 8.259 -14.737 7.916 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.471 -16.853 5.904 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.697 -17.207 7.104 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.635 -16.056 8.600 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.787 -17.012 7.399 1.00 0.00 H new ATOM 411 N PHE A 56 9.777 -14.634 5.060 1.00 0.00 N ATOM 412 CA PHE A 56 11.076 -14.487 4.415 1.00 0.00 C ATOM 413 C PHE A 56 11.594 -13.055 4.543 1.00 0.00 C ATOM 414 O PHE A 56 12.716 -12.830 4.990 1.00 0.00 O ATOM 415 CB PHE A 56 10.976 -14.896 2.937 1.00 0.00 C ATOM 416 CG PHE A 56 11.995 -14.245 2.039 1.00 0.00 C ATOM 417 CD1 PHE A 56 13.352 -14.399 2.277 1.00 0.00 C ATOM 418 CD2 PHE A 56 11.592 -13.479 0.958 1.00 0.00 C ATOM 419 CE1 PHE A 56 14.287 -13.801 1.453 1.00 0.00 C ATOM 420 CE2 PHE A 56 12.522 -12.878 0.130 1.00 0.00 C ATOM 421 CZ PHE A 56 13.871 -13.040 0.379 1.00 0.00 C ATOM 0 H PHE A 56 8.980 -14.442 4.453 1.00 0.00 H new ATOM 0 HA PHE A 56 11.787 -15.144 4.917 1.00 0.00 H new ATOM 0 HB2 PHE A 56 11.085 -15.978 2.864 1.00 0.00 H new ATOM 0 HB3 PHE A 56 9.979 -14.651 2.572 1.00 0.00 H new ATOM 0 HD1 PHE A 56 13.683 -14.993 3.116 1.00 0.00 H new ATOM 0 HD2 PHE A 56 10.538 -13.349 0.759 1.00 0.00 H new ATOM 0 HE1 PHE A 56 15.341 -13.929 1.649 1.00 0.00 H new ATOM 0 HE2 PHE A 56 12.194 -12.283 -0.710 1.00 0.00 H new ATOM 0 HZ PHE A 56 14.600 -12.572 -0.266 1.00 0.00 H new ATOM 431 N VAL A 57 10.775 -12.093 4.134 1.00 0.00 N ATOM 432 CA VAL A 57 11.156 -10.685 4.186 1.00 0.00 C ATOM 433 C VAL A 57 11.305 -10.167 5.618 1.00 0.00 C ATOM 434 O VAL A 57 11.779 -9.051 5.827 1.00 0.00 O ATOM 435 CB VAL A 57 10.130 -9.806 3.441 1.00 0.00 C ATOM 436 CG1 VAL A 57 8.764 -9.901 4.103 1.00 0.00 C ATOM 437 CG2 VAL A 57 10.601 -8.359 3.376 1.00 0.00 C ATOM 0 H VAL A 57 9.841 -12.262 3.762 1.00 0.00 H new ATOM 0 HA VAL A 57 12.128 -10.619 3.697 1.00 0.00 H new ATOM 0 HB VAL A 57 10.041 -10.177 2.420 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.054 -9.274 3.564 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.422 -10.936 4.085 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.836 -9.561 5.136 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.861 -7.759 2.846 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.726 -7.971 4.387 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.553 -8.310 2.848 1.00 0.00 H new ATOM 447 N SER A 58 10.889 -10.960 6.603 1.00 0.00 N ATOM 448 CA SER A 58 10.978 -10.532 7.998 1.00 0.00 C ATOM 449 C SER A 58 11.799 -11.497 8.851 1.00 0.00 C ATOM 450 O SER A 58 12.499 -11.075 9.772 1.00 0.00 O ATOM 451 CB SER A 58 9.575 -10.386 8.591 1.00 0.00 C ATOM 452 OG SER A 58 9.073 -9.075 8.398 1.00 0.00 O ATOM 0 H SER A 58 10.492 -11.890 6.465 1.00 0.00 H new ATOM 0 HA SER A 58 11.489 -9.569 8.008 1.00 0.00 H new ATOM 0 HB2 SER A 58 8.904 -11.108 8.126 1.00 0.00 H new ATOM 0 HB3 SER A 58 9.601 -10.615 9.656 1.00 0.00 H new ATOM 0 HG SER A 58 8.347 -8.906 9.034 1.00 0.00 H new ATOM 458 N SER A 59 11.697 -12.790 8.563 1.00 0.00 N ATOM 459 CA SER A 59 12.423 -13.797 9.335 1.00 0.00 C ATOM 460 C SER A 59 13.691 -14.270 8.625 1.00 0.00 C ATOM 461 O SER A 59 14.501 -14.988 9.212 1.00 0.00 O ATOM 462 CB SER A 59 11.515 -14.994 9.623 1.00 0.00 C ATOM 463 OG SER A 59 11.715 -15.480 10.939 1.00 0.00 O ATOM 0 H SER A 59 11.124 -13.165 7.807 1.00 0.00 H new ATOM 0 HA SER A 59 12.726 -13.328 10.271 1.00 0.00 H new ATOM 0 HB2 SER A 59 10.472 -14.703 9.494 1.00 0.00 H new ATOM 0 HB3 SER A 59 11.716 -15.788 8.904 1.00 0.00 H new ATOM 0 HG SER A 59 11.122 -16.244 11.099 1.00 0.00 H new ATOM 469 N GLN A 60 13.862 -13.884 7.364 1.00 0.00 N ATOM 470 CA GLN A 60 15.037 -14.299 6.602 1.00 0.00 C ATOM 471 C GLN A 60 15.805 -13.100 6.048 1.00 0.00 C ATOM 472 O GLN A 60 16.933 -12.831 6.460 1.00 0.00 O ATOM 473 CB GLN A 60 14.618 -15.220 5.457 1.00 0.00 C ATOM 474 CG GLN A 60 14.341 -16.649 5.896 1.00 0.00 C ATOM 475 CD GLN A 60 15.541 -17.557 5.717 1.00 0.00 C ATOM 476 OE1 GLN A 60 15.594 -18.360 4.785 1.00 0.00 O ATOM 477 NE2 GLN A 60 16.514 -17.436 6.613 1.00 0.00 N ATOM 0 H GLN A 60 13.210 -13.290 6.852 1.00 0.00 H new ATOM 0 HA GLN A 60 15.700 -14.835 7.281 1.00 0.00 H new ATOM 0 HB2 GLN A 60 13.724 -14.814 4.984 1.00 0.00 H new ATOM 0 HB3 GLN A 60 15.403 -15.227 4.701 1.00 0.00 H new ATOM 0 HG2 GLN A 60 14.041 -16.652 6.944 1.00 0.00 H new ATOM 0 HG3 GLN A 60 13.502 -17.045 5.324 1.00 0.00 H new ATOM 0 HE21 GLN A 60 16.429 -16.757 7.370 1.00 0.00 H new ATOM 0 HE22 GLN A 60 17.346 -18.022 6.544 1.00 0.00 H new ATOM 486 N ALA A 61 15.188 -12.396 5.103 1.00 0.00 N ATOM 487 CA ALA A 61 15.803 -11.231 4.468 1.00 0.00 C ATOM 488 C ALA A 61 16.558 -10.360 5.474 1.00 0.00 C ATOM 489 O ALA A 61 16.198 -10.296 6.649 1.00 0.00 O ATOM 490 CB ALA A 61 14.744 -10.408 3.750 1.00 0.00 C ATOM 0 H ALA A 61 14.254 -12.614 4.757 1.00 0.00 H new ATOM 0 HA ALA A 61 16.531 -11.597 3.744 1.00 0.00 H new ATOM 0 HB1 ALA A 61 15.212 -9.543 3.280 1.00 0.00 H new ATOM 0 HB2 ALA A 61 14.264 -11.020 2.986 1.00 0.00 H new ATOM 0 HB3 ALA A 61 13.996 -10.071 4.468 1.00 0.00 H new ATOM 496 N PRO A 62 17.622 -9.675 5.016 1.00 0.00 N ATOM 497 CA PRO A 62 18.435 -8.804 5.871 1.00 0.00 C ATOM 498 C PRO A 62 17.715 -7.509 6.233 1.00 0.00 C ATOM 499 O PRO A 62 16.764 -7.108 5.563 1.00 0.00 O ATOM 500 CB PRO A 62 19.661 -8.508 5.008 1.00 0.00 C ATOM 501 CG PRO A 62 19.170 -8.625 3.607 1.00 0.00 C ATOM 502 CD PRO A 62 18.116 -9.699 3.625 1.00 0.00 C ATOM 0 HA PRO A 62 18.670 -9.275 6.826 1.00 0.00 H new ATOM 0 HB2 PRO A 62 20.056 -7.512 5.208 1.00 0.00 H new ATOM 0 HB3 PRO A 62 20.466 -9.216 5.207 1.00 0.00 H new ATOM 0 HG2 PRO A 62 18.757 -7.679 3.258 1.00 0.00 H new ATOM 0 HG3 PRO A 62 19.983 -8.887 2.929 1.00 0.00 H new ATOM 0 HD2 PRO A 62 17.318 -9.490 2.912 1.00 0.00 H new ATOM 0 HD3 PRO A 62 18.531 -10.672 3.363 1.00 0.00 H new ATOM 510 N GLN A 63 18.177 -6.858 7.298 1.00 0.00 N ATOM 511 CA GLN A 63 17.580 -5.605 7.754 1.00 0.00 C ATOM 512 C GLN A 63 17.371 -4.638 6.592 1.00 0.00 C ATOM 513 O GLN A 63 16.419 -3.857 6.586 1.00 0.00 O ATOM 514 CB GLN A 63 18.465 -4.954 8.818 1.00 0.00 C ATOM 515 CG GLN A 63 17.801 -3.785 9.529 1.00 0.00 C ATOM 516 CD GLN A 63 17.630 -4.026 11.016 1.00 0.00 C ATOM 517 OE1 GLN A 63 16.811 -4.844 11.435 1.00 0.00 O ATOM 518 NE2 GLN A 63 18.404 -3.311 11.824 1.00 0.00 N ATOM 0 H GLN A 63 18.964 -7.178 7.862 1.00 0.00 H new ATOM 0 HA GLN A 63 16.607 -5.836 8.187 1.00 0.00 H new ATOM 0 HB2 GLN A 63 18.745 -5.706 9.556 1.00 0.00 H new ATOM 0 HB3 GLN A 63 19.387 -4.608 8.350 1.00 0.00 H new ATOM 0 HG2 GLN A 63 18.398 -2.886 9.377 1.00 0.00 H new ATOM 0 HG3 GLN A 63 16.825 -3.599 9.081 1.00 0.00 H new ATOM 0 HE21 GLN A 63 19.070 -2.644 11.434 1.00 0.00 H new ATOM 0 HE22 GLN A 63 18.333 -3.429 12.835 1.00 0.00 H new ATOM 527 N SER A 64 18.263 -4.698 5.608 1.00 0.00 N ATOM 528 CA SER A 64 18.170 -3.828 4.441 1.00 0.00 C ATOM 529 C SER A 64 16.866 -4.073 3.689 1.00 0.00 C ATOM 530 O SER A 64 16.157 -3.131 3.331 1.00 0.00 O ATOM 531 CB SER A 64 19.361 -4.060 3.509 1.00 0.00 C ATOM 532 OG SER A 64 19.455 -3.033 2.537 1.00 0.00 O ATOM 0 H SER A 64 19.057 -5.339 5.595 1.00 0.00 H new ATOM 0 HA SER A 64 18.185 -2.794 4.785 1.00 0.00 H new ATOM 0 HB2 SER A 64 20.281 -4.099 4.092 1.00 0.00 H new ATOM 0 HB3 SER A 64 19.257 -5.025 3.014 1.00 0.00 H new ATOM 0 HG SER A 64 20.225 -3.203 1.955 1.00 0.00 H new ATOM 538 N LEU A 65 16.552 -5.344 3.460 1.00 0.00 N ATOM 539 CA LEU A 65 15.331 -5.714 2.756 1.00 0.00 C ATOM 540 C LEU A 65 14.103 -5.352 3.585 1.00 0.00 C ATOM 541 O LEU A 65 13.050 -5.017 3.042 1.00 0.00 O ATOM 542 CB LEU A 65 15.329 -7.213 2.447 1.00 0.00 C ATOM 543 CG LEU A 65 14.547 -7.615 1.196 1.00 0.00 C ATOM 544 CD1 LEU A 65 13.073 -7.279 1.357 1.00 0.00 C ATOM 545 CD2 LEU A 65 15.121 -6.928 -0.034 1.00 0.00 C ATOM 0 H LEU A 65 17.127 -6.135 3.752 1.00 0.00 H new ATOM 0 HA LEU A 65 15.295 -5.159 1.818 1.00 0.00 H new ATOM 0 HB2 LEU A 65 16.361 -7.547 2.335 1.00 0.00 H new ATOM 0 HB3 LEU A 65 14.913 -7.744 3.303 1.00 0.00 H new ATOM 0 HG LEU A 65 14.640 -8.693 1.063 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.533 -7.572 0.457 1.00 0.00 H new ATOM 0 HD12 LEU A 65 12.669 -7.817 2.214 1.00 0.00 H new ATOM 0 HD13 LEU A 65 12.959 -6.207 1.515 1.00 0.00 H new ATOM 0 HD21 LEU A 65 14.553 -7.225 -0.915 1.00 0.00 H new ATOM 0 HD22 LEU A 65 15.058 -5.847 0.091 1.00 0.00 H new ATOM 0 HD23 LEU A 65 16.164 -7.219 -0.160 1.00 0.00 H new ATOM 557 N ARG A 66 14.249 -5.418 4.905 1.00 0.00 N ATOM 558 CA ARG A 66 13.156 -5.094 5.813 1.00 0.00 C ATOM 559 C ARG A 66 12.892 -3.593 5.825 1.00 0.00 C ATOM 560 O ARG A 66 11.753 -3.153 5.985 1.00 0.00 O ATOM 561 CB ARG A 66 13.479 -5.578 7.228 1.00 0.00 C ATOM 562 CG ARG A 66 13.749 -7.071 7.313 1.00 0.00 C ATOM 563 CD ARG A 66 14.312 -7.459 8.671 1.00 0.00 C ATOM 564 NE ARG A 66 14.992 -8.752 8.632 1.00 0.00 N ATOM 565 CZ ARG A 66 15.845 -9.169 9.564 1.00 0.00 C ATOM 566 NH1 ARG A 66 16.127 -8.399 10.608 1.00 0.00 N ATOM 567 NH2 ARG A 66 16.418 -10.360 9.453 1.00 0.00 N ATOM 0 H ARG A 66 15.115 -5.693 5.369 1.00 0.00 H new ATOM 0 HA ARG A 66 12.259 -5.602 5.460 1.00 0.00 H new ATOM 0 HB2 ARG A 66 14.351 -5.038 7.598 1.00 0.00 H new ATOM 0 HB3 ARG A 66 12.647 -5.330 7.887 1.00 0.00 H new ATOM 0 HG2 ARG A 66 12.825 -7.620 7.131 1.00 0.00 H new ATOM 0 HG3 ARG A 66 14.451 -7.360 6.531 1.00 0.00 H new ATOM 0 HD2 ARG A 66 15.010 -6.692 9.007 1.00 0.00 H new ATOM 0 HD3 ARG A 66 13.504 -7.496 9.401 1.00 0.00 H new ATOM 0 HE ARG A 66 14.801 -9.371 7.844 1.00 0.00 H new ATOM 0 HH11 ARG A 66 15.689 -7.482 10.699 1.00 0.00 H new ATOM 0 HH12 ARG A 66 16.782 -8.724 11.319 1.00 0.00 H new ATOM 0 HH21 ARG A 66 16.205 -10.956 8.653 1.00 0.00 H new ATOM 0 HH22 ARG A 66 17.072 -10.680 10.167 1.00 0.00 H new ATOM 581 N ASN A 67 13.953 -2.810 5.652 1.00 0.00 N ATOM 582 CA ASN A 67 13.837 -1.356 5.640 1.00 0.00 C ATOM 583 C ASN A 67 12.887 -0.897 4.540 1.00 0.00 C ATOM 584 O ASN A 67 11.973 -0.110 4.785 1.00 0.00 O ATOM 585 CB ASN A 67 15.212 -0.716 5.443 1.00 0.00 C ATOM 586 CG ASN A 67 15.932 -0.475 6.756 1.00 0.00 C ATOM 587 OD1 ASN A 67 15.594 0.443 7.504 1.00 0.00 O ATOM 588 ND2 ASN A 67 16.931 -1.302 7.044 1.00 0.00 N ATOM 0 H ASN A 67 14.902 -3.158 5.518 1.00 0.00 H new ATOM 0 HA ASN A 67 13.432 -1.040 6.601 1.00 0.00 H new ATOM 0 HB2 ASN A 67 15.822 -1.360 4.810 1.00 0.00 H new ATOM 0 HB3 ASN A 67 15.097 0.231 4.916 1.00 0.00 H new ATOM 0 HD21 ASN A 67 17.452 -1.190 7.914 1.00 0.00 H new ATOM 0 HD22 ASN A 67 17.177 -2.049 6.395 1.00 0.00 H new ATOM 595 N ARG A 68 13.106 -1.398 3.328 1.00 0.00 N ATOM 596 CA ARG A 68 12.265 -1.039 2.192 1.00 0.00 C ATOM 597 C ARG A 68 10.849 -1.575 2.378 1.00 0.00 C ATOM 598 O ARG A 68 9.880 -0.974 1.913 1.00 0.00 O ATOM 599 CB ARG A 68 12.864 -1.582 0.893 1.00 0.00 C ATOM 600 CG ARG A 68 12.895 -3.099 0.820 1.00 0.00 C ATOM 601 CD ARG A 68 13.026 -3.584 -0.614 1.00 0.00 C ATOM 602 NE ARG A 68 11.723 -3.790 -1.244 1.00 0.00 N ATOM 603 CZ ARG A 68 11.555 -4.001 -2.547 1.00 0.00 C ATOM 604 NH1 ARG A 68 12.602 -4.036 -3.362 1.00 0.00 N ATOM 605 NH2 ARG A 68 10.336 -4.178 -3.038 1.00 0.00 N ATOM 0 H ARG A 68 13.857 -2.052 3.108 1.00 0.00 H new ATOM 0 HA ARG A 68 12.219 0.048 2.133 1.00 0.00 H new ATOM 0 HB2 ARG A 68 12.289 -1.199 0.050 1.00 0.00 H new ATOM 0 HB3 ARG A 68 13.880 -1.201 0.785 1.00 0.00 H new ATOM 0 HG2 ARG A 68 13.730 -3.476 1.411 1.00 0.00 H new ATOM 0 HG3 ARG A 68 11.984 -3.504 1.261 1.00 0.00 H new ATOM 0 HD2 ARG A 68 13.597 -2.857 -1.192 1.00 0.00 H new ATOM 0 HD3 ARG A 68 13.588 -4.518 -0.631 1.00 0.00 H new ATOM 0 HE ARG A 68 10.894 -3.771 -0.650 1.00 0.00 H new ATOM 0 HH11 ARG A 68 13.542 -3.901 -2.990 1.00 0.00 H new ATOM 0 HH12 ARG A 68 12.466 -4.198 -4.360 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.527 -4.152 -2.417 1.00 0.00 H new ATOM 0 HH22 ARG A 68 10.207 -4.340 -4.037 1.00 0.00 H new ATOM 619 N TYR A 69 10.737 -2.709 3.063 1.00 0.00 N ATOM 620 CA TYR A 69 9.440 -3.327 3.315 1.00 0.00 C ATOM 621 C TYR A 69 8.535 -2.384 4.102 1.00 0.00 C ATOM 622 O TYR A 69 7.404 -2.112 3.698 1.00 0.00 O ATOM 623 CB TYR A 69 9.622 -4.642 4.078 1.00 0.00 C ATOM 624 CG TYR A 69 8.322 -5.290 4.504 1.00 0.00 C ATOM 625 CD1 TYR A 69 7.713 -4.943 5.703 1.00 0.00 C ATOM 626 CD2 TYR A 69 7.706 -6.248 3.708 1.00 0.00 C ATOM 627 CE1 TYR A 69 6.527 -5.532 6.097 1.00 0.00 C ATOM 628 CE2 TYR A 69 6.521 -6.840 4.095 1.00 0.00 C ATOM 629 CZ TYR A 69 5.935 -6.480 5.290 1.00 0.00 C ATOM 630 OH TYR A 69 4.754 -7.069 5.679 1.00 0.00 O ATOM 0 H TYR A 69 11.529 -3.219 3.454 1.00 0.00 H new ATOM 0 HA TYR A 69 8.967 -3.536 2.355 1.00 0.00 H new ATOM 0 HB2 TYR A 69 10.176 -5.341 3.451 1.00 0.00 H new ATOM 0 HB3 TYR A 69 10.231 -4.456 4.963 1.00 0.00 H new ATOM 0 HD1 TYR A 69 8.174 -4.201 6.338 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.162 -6.534 2.772 1.00 0.00 H new ATOM 0 HE1 TYR A 69 6.066 -5.251 7.032 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.055 -7.582 3.464 1.00 0.00 H new ATOM 0 HH TYR A 69 4.470 -7.714 4.998 1.00 0.00 H new ATOM 640 N ASN A 70 9.040 -1.890 5.227 1.00 0.00 N ATOM 641 CA ASN A 70 8.277 -0.978 6.072 1.00 0.00 C ATOM 642 C ASN A 70 8.134 0.389 5.410 1.00 0.00 C ATOM 643 O ASN A 70 7.148 1.093 5.626 1.00 0.00 O ATOM 644 CB ASN A 70 8.953 -0.829 7.436 1.00 0.00 C ATOM 645 CG ASN A 70 8.560 -1.931 8.400 1.00 0.00 C ATOM 646 OD1 ASN A 70 7.378 -2.232 8.569 1.00 0.00 O ATOM 647 ND2 ASN A 70 9.552 -2.540 9.040 1.00 0.00 N ATOM 0 H ASN A 70 9.974 -2.106 5.575 1.00 0.00 H new ATOM 0 HA ASN A 70 7.281 -1.399 6.211 1.00 0.00 H new ATOM 0 HB2 ASN A 70 10.035 -0.834 7.305 1.00 0.00 H new ATOM 0 HB3 ASN A 70 8.689 0.137 7.866 1.00 0.00 H new ATOM 0 HD21 ASN A 70 9.348 -3.289 9.702 1.00 0.00 H new ATOM 0 HD22 ASN A 70 10.518 -2.259 8.870 1.00 0.00 H new ATOM 654 N ASN A 71 9.125 0.758 4.605 1.00 0.00 N ATOM 655 CA ASN A 71 9.108 2.042 3.913 1.00 0.00 C ATOM 656 C ASN A 71 7.953 2.112 2.920 1.00 0.00 C ATOM 657 O ASN A 71 7.065 2.956 3.044 1.00 0.00 O ATOM 658 CB ASN A 71 10.436 2.272 3.188 1.00 0.00 C ATOM 659 CG ASN A 71 10.906 3.710 3.285 1.00 0.00 C ATOM 660 OD1 ASN A 71 11.861 4.016 3.998 1.00 0.00 O ATOM 661 ND2 ASN A 71 10.234 4.602 2.566 1.00 0.00 N ATOM 0 H ASN A 71 9.949 0.187 4.416 1.00 0.00 H new ATOM 0 HA ASN A 71 8.968 2.825 4.658 1.00 0.00 H new ATOM 0 HB2 ASN A 71 11.196 1.615 3.611 1.00 0.00 H new ATOM 0 HB3 ASN A 71 10.326 1.999 2.139 1.00 0.00 H new ATOM 0 HD21 ASN A 71 10.504 5.585 2.592 1.00 0.00 H new ATOM 0 HD22 ASN A 71 9.448 4.304 1.988 1.00 0.00 H new ATOM 668 N LEU A 72 7.971 1.221 1.933 1.00 0.00 N ATOM 669 CA LEU A 72 6.924 1.184 0.917 1.00 0.00 C ATOM 670 C LEU A 72 5.548 1.040 1.558 1.00 0.00 C ATOM 671 O LEU A 72 4.567 1.613 1.082 1.00 0.00 O ATOM 672 CB LEU A 72 7.169 0.034 -0.062 1.00 0.00 C ATOM 673 CG LEU A 72 7.028 -1.370 0.532 1.00 0.00 C ATOM 674 CD1 LEU A 72 5.563 -1.782 0.592 1.00 0.00 C ATOM 675 CD2 LEU A 72 7.835 -2.373 -0.280 1.00 0.00 C ATOM 0 H LEU A 72 8.698 0.516 1.815 1.00 0.00 H new ATOM 0 HA LEU A 72 6.953 2.126 0.370 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.471 0.131 -0.893 1.00 0.00 H new ATOM 0 HB3 LEU A 72 8.173 0.137 -0.475 1.00 0.00 H new ATOM 0 HG LEU A 72 7.420 -1.356 1.549 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.484 -2.783 1.017 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.012 -1.078 1.216 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.143 -1.781 -0.414 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.724 -3.366 0.155 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.473 -2.385 -1.308 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.887 -2.087 -0.269 1.00 0.00 H new ATOM 687 N TYR A 73 5.481 0.275 2.642 1.00 0.00 N ATOM 688 CA TYR A 73 4.222 0.062 3.345 1.00 0.00 C ATOM 689 C TYR A 73 3.878 1.262 4.220 1.00 0.00 C ATOM 690 O TYR A 73 2.707 1.537 4.478 1.00 0.00 O ATOM 691 CB TYR A 73 4.290 -1.206 4.198 1.00 0.00 C ATOM 692 CG TYR A 73 2.932 -1.731 4.610 1.00 0.00 C ATOM 693 CD1 TYR A 73 1.866 -1.731 3.718 1.00 0.00 C ATOM 694 CD2 TYR A 73 2.715 -2.226 5.890 1.00 0.00 C ATOM 695 CE1 TYR A 73 0.624 -2.207 4.089 1.00 0.00 C ATOM 696 CE2 TYR A 73 1.476 -2.706 6.269 1.00 0.00 C ATOM 697 CZ TYR A 73 0.434 -2.694 5.365 1.00 0.00 C ATOM 698 OH TYR A 73 -0.802 -3.170 5.739 1.00 0.00 O ATOM 0 H TYR A 73 6.281 -0.207 3.052 1.00 0.00 H new ATOM 0 HA TYR A 73 3.437 -0.058 2.598 1.00 0.00 H new ATOM 0 HB2 TYR A 73 4.816 -1.981 3.641 1.00 0.00 H new ATOM 0 HB3 TYR A 73 4.878 -1.001 5.093 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.012 -1.352 2.717 1.00 0.00 H new ATOM 0 HD2 TYR A 73 3.528 -2.236 6.601 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.194 -2.198 3.384 1.00 0.00 H new ATOM 0 HE2 TYR A 73 1.324 -3.088 7.268 1.00 0.00 H new ATOM 0 HH TYR A 73 -0.767 -3.477 6.669 1.00 0.00 H new ATOM 708 N SER A 74 4.906 1.979 4.671 1.00 0.00 N ATOM 709 CA SER A 74 4.706 3.154 5.512 1.00 0.00 C ATOM 710 C SER A 74 3.728 4.123 4.855 1.00 0.00 C ATOM 711 O SER A 74 2.843 4.672 5.512 1.00 0.00 O ATOM 712 CB SER A 74 6.042 3.853 5.776 1.00 0.00 C ATOM 713 OG SER A 74 6.296 3.961 7.166 1.00 0.00 O ATOM 0 H SER A 74 5.883 1.766 4.468 1.00 0.00 H new ATOM 0 HA SER A 74 4.286 2.828 6.463 1.00 0.00 H new ATOM 0 HB2 SER A 74 6.848 3.296 5.298 1.00 0.00 H new ATOM 0 HB3 SER A 74 6.031 4.846 5.327 1.00 0.00 H new ATOM 0 HG SER A 74 7.156 4.409 7.308 1.00 0.00 H new ATOM 719 N HIS A 75 3.892 4.319 3.551 1.00 0.00 N ATOM 720 CA HIS A 75 3.022 5.212 2.798 1.00 0.00 C ATOM 721 C HIS A 75 1.679 4.543 2.523 1.00 0.00 C ATOM 722 O HIS A 75 0.637 5.196 2.524 1.00 0.00 O ATOM 723 CB HIS A 75 3.684 5.614 1.479 1.00 0.00 C ATOM 724 CG HIS A 75 5.032 6.242 1.654 1.00 0.00 C ATOM 725 ND1 HIS A 75 6.161 5.798 0.997 1.00 0.00 N ATOM 726 CD2 HIS A 75 5.431 7.287 2.417 1.00 0.00 C ATOM 727 CE1 HIS A 75 7.194 6.542 1.348 1.00 0.00 C ATOM 728 NE2 HIS A 75 6.778 7.453 2.208 1.00 0.00 N ATOM 0 H HIS A 75 4.620 3.871 2.994 1.00 0.00 H new ATOM 0 HA HIS A 75 2.852 6.108 3.395 1.00 0.00 H new ATOM 0 HB2 HIS A 75 3.783 4.731 0.847 1.00 0.00 H new ATOM 0 HB3 HIS A 75 3.033 6.312 0.953 1.00 0.00 H new ATOM 0 HD2 HIS A 75 4.806 7.880 3.069 1.00 0.00 H new ATOM 0 HE1 HIS A 75 8.207 6.425 0.992 1.00 0.00 H new ATOM 0 HE2 HIS A 75 7.362 8.165 2.646 1.00 0.00 H new ATOM 737 N THR A 76 1.715 3.235 2.290 1.00 0.00 N ATOM 738 CA THR A 76 0.503 2.471 2.015 1.00 0.00 C ATOM 739 C THR A 76 -0.494 2.592 3.164 1.00 0.00 C ATOM 740 O THR A 76 -1.691 2.779 2.945 1.00 0.00 O ATOM 741 CB THR A 76 0.850 0.999 1.781 1.00 0.00 C ATOM 742 OG1 THR A 76 1.752 0.862 0.697 1.00 0.00 O ATOM 743 CG2 THR A 76 -0.359 0.137 1.483 1.00 0.00 C ATOM 0 H THR A 76 2.572 2.681 2.286 1.00 0.00 H new ATOM 0 HA THR A 76 0.042 2.880 1.116 1.00 0.00 H new ATOM 0 HB THR A 76 1.298 0.658 2.714 1.00 0.00 H new ATOM 0 HG1 THR A 76 2.649 1.136 0.981 1.00 0.00 H new ATOM 0 HG21 THR A 76 -0.041 -0.894 1.328 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.053 0.180 2.323 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.854 0.503 0.584 1.00 0.00 H new ATOM 751 N GLN A 77 0.008 2.478 4.388 1.00 0.00 N ATOM 752 CA GLN A 77 -0.837 2.568 5.574 1.00 0.00 C ATOM 753 C GLN A 77 -1.472 3.950 5.701 1.00 0.00 C ATOM 754 O GLN A 77 -2.690 4.073 5.834 1.00 0.00 O ATOM 755 CB GLN A 77 -0.022 2.254 6.830 1.00 0.00 C ATOM 756 CG GLN A 77 -0.008 0.778 7.194 1.00 0.00 C ATOM 757 CD GLN A 77 -0.187 0.542 8.681 1.00 0.00 C ATOM 758 OE1 GLN A 77 -1.053 1.143 9.317 1.00 0.00 O ATOM 759 NE2 GLN A 77 0.636 -0.335 9.244 1.00 0.00 N ATOM 0 H GLN A 77 0.997 2.323 4.586 1.00 0.00 H new ATOM 0 HA GLN A 77 -1.636 1.834 5.469 1.00 0.00 H new ATOM 0 HB2 GLN A 77 1.003 2.593 6.682 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -0.427 2.822 7.667 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -0.802 0.266 6.651 1.00 0.00 H new ATOM 0 HG3 GLN A 77 0.935 0.337 6.871 1.00 0.00 H new ATOM 0 HE21 GLN A 77 1.339 -0.810 8.678 1.00 0.00 H new ATOM 0 HE22 GLN A 77 0.565 -0.533 10.242 1.00 0.00 H new ATOM 768 N ARG A 78 -0.641 4.988 5.671 1.00 0.00 N ATOM 769 CA ARG A 78 -1.127 6.359 5.794 1.00 0.00 C ATOM 770 C ARG A 78 -1.995 6.754 4.602 1.00 0.00 C ATOM 771 O ARG A 78 -2.931 7.541 4.742 1.00 0.00 O ATOM 772 CB ARG A 78 0.048 7.330 5.930 1.00 0.00 C ATOM 773 CG ARG A 78 1.011 7.293 4.755 1.00 0.00 C ATOM 774 CD ARG A 78 1.595 8.668 4.467 1.00 0.00 C ATOM 775 NE ARG A 78 3.032 8.717 4.729 1.00 0.00 N ATOM 776 CZ ARG A 78 3.726 9.847 4.846 1.00 0.00 C ATOM 777 NH1 ARG A 78 3.121 11.022 4.726 1.00 0.00 N ATOM 778 NH2 ARG A 78 5.030 9.801 5.084 1.00 0.00 N ATOM 0 H ARG A 78 0.370 4.906 5.563 1.00 0.00 H new ATOM 0 HA ARG A 78 -1.743 6.412 6.692 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -0.340 8.343 6.038 1.00 0.00 H new ATOM 0 HB3 ARG A 78 0.595 7.099 6.844 1.00 0.00 H new ATOM 0 HG2 ARG A 78 1.818 6.591 4.967 1.00 0.00 H new ATOM 0 HG3 ARG A 78 0.492 6.925 3.870 1.00 0.00 H new ATOM 0 HD2 ARG A 78 1.407 8.931 3.426 1.00 0.00 H new ATOM 0 HD3 ARG A 78 1.089 9.413 5.081 1.00 0.00 H new ATOM 0 HE ARG A 78 3.532 7.834 4.828 1.00 0.00 H new ATOM 0 HH11 ARG A 78 2.118 11.063 4.543 1.00 0.00 H new ATOM 0 HH12 ARG A 78 3.659 11.884 4.817 1.00 0.00 H new ATOM 0 HH21 ARG A 78 5.500 8.901 5.177 1.00 0.00 H new ATOM 0 HH22 ARG A 78 5.563 10.666 5.174 1.00 0.00 H new ATOM 792 N THR A 79 -1.682 6.209 3.431 1.00 0.00 N ATOM 793 CA THR A 79 -2.441 6.516 2.223 1.00 0.00 C ATOM 794 C THR A 79 -3.877 6.017 2.339 1.00 0.00 C ATOM 795 O THR A 79 -4.826 6.775 2.135 1.00 0.00 O ATOM 796 CB THR A 79 -1.773 5.897 0.995 1.00 0.00 C ATOM 797 OG1 THR A 79 -1.375 4.564 1.258 1.00 0.00 O ATOM 798 CG2 THR A 79 -0.553 6.660 0.531 1.00 0.00 C ATOM 0 H THR A 79 -0.911 5.555 3.292 1.00 0.00 H new ATOM 0 HA THR A 79 -2.458 7.600 2.107 1.00 0.00 H new ATOM 0 HB THR A 79 -2.525 5.934 0.207 1.00 0.00 H new ATOM 0 HG1 THR A 79 -1.754 4.272 2.113 1.00 0.00 H new ATOM 0 HG21 THR A 79 -0.127 6.168 -0.343 1.00 0.00 H new ATOM 0 HG22 THR A 79 -0.839 7.679 0.271 1.00 0.00 H new ATOM 0 HG23 THR A 79 0.187 6.684 1.331 1.00 0.00 H new ATOM 806 N LEU A 80 -4.031 4.739 2.671 1.00 0.00 N ATOM 807 CA LEU A 80 -5.354 4.142 2.816 1.00 0.00 C ATOM 808 C LEU A 80 -6.202 4.938 3.803 1.00 0.00 C ATOM 809 O LEU A 80 -7.416 5.055 3.642 1.00 0.00 O ATOM 810 CB LEU A 80 -5.236 2.691 3.284 1.00 0.00 C ATOM 811 CG LEU A 80 -4.565 1.740 2.291 1.00 0.00 C ATOM 812 CD1 LEU A 80 -4.205 0.428 2.970 1.00 0.00 C ATOM 813 CD2 LEU A 80 -5.470 1.494 1.097 1.00 0.00 C ATOM 0 H LEU A 80 -3.257 4.098 2.844 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.843 4.162 1.842 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.674 2.672 4.218 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.235 2.315 3.505 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.646 2.205 1.935 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.729 -0.236 2.249 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.518 0.621 3.794 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.110 -0.043 3.355 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.977 0.815 0.401 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.406 1.050 1.435 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.677 2.440 0.597 1.00 0.00 H new ATOM 825 N ASP A 81 -5.550 5.488 4.822 1.00 0.00 N ATOM 826 CA ASP A 81 -6.240 6.278 5.834 1.00 0.00 C ATOM 827 C ASP A 81 -6.694 7.613 5.256 1.00 0.00 C ATOM 828 O ASP A 81 -7.758 8.124 5.605 1.00 0.00 O ATOM 829 CB ASP A 81 -5.328 6.512 7.039 1.00 0.00 C ATOM 830 CG ASP A 81 -6.080 7.060 8.236 1.00 0.00 C ATOM 831 OD1 ASP A 81 -7.305 6.830 8.323 1.00 0.00 O ATOM 832 OD2 ASP A 81 -5.445 7.718 9.087 1.00 0.00 O ATOM 0 H ASP A 81 -4.544 5.401 4.968 1.00 0.00 H new ATOM 0 HA ASP A 81 -7.120 5.723 6.160 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -4.847 5.574 7.314 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -4.536 7.207 6.762 1.00 0.00 H new ATOM 837 N MET A 82 -5.881 8.172 4.365 1.00 0.00 N ATOM 838 CA MET A 82 -6.199 9.447 3.733 1.00 0.00 C ATOM 839 C MET A 82 -7.309 9.277 2.699 1.00 0.00 C ATOM 840 O MET A 82 -8.083 10.201 2.447 1.00 0.00 O ATOM 841 CB MET A 82 -4.952 10.036 3.069 1.00 0.00 C ATOM 842 CG MET A 82 -3.894 10.492 4.061 1.00 0.00 C ATOM 843 SD MET A 82 -2.222 10.369 3.397 1.00 0.00 S ATOM 844 CE MET A 82 -2.337 11.467 1.987 1.00 0.00 C ATOM 0 H MET A 82 -4.997 7.762 4.065 1.00 0.00 H new ATOM 0 HA MET A 82 -6.547 10.132 4.506 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.517 9.290 2.404 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.246 10.883 2.449 1.00 0.00 H new ATOM 0 HG2 MET A 82 -4.092 11.525 4.348 1.00 0.00 H new ATOM 0 HG3 MET A 82 -3.967 9.890 4.967 1.00 0.00 H new ATOM 0 HE1 MET A 82 -1.344 11.623 1.566 1.00 0.00 H new ATOM 0 HE2 MET A 82 -2.986 11.023 1.232 1.00 0.00 H new ATOM 0 HE3 MET A 82 -2.752 12.424 2.304 1.00 0.00 H new ATOM 854 N ALA A 83 -7.381 8.090 2.105 1.00 0.00 N ATOM 855 CA ALA A 83 -8.396 7.798 1.100 1.00 0.00 C ATOM 856 C ALA A 83 -9.695 7.332 1.749 1.00 0.00 C ATOM 857 O ALA A 83 -10.777 7.516 1.193 1.00 0.00 O ATOM 858 CB ALA A 83 -7.885 6.749 0.125 1.00 0.00 C ATOM 0 H ALA A 83 -6.748 7.315 2.303 1.00 0.00 H new ATOM 0 HA ALA A 83 -8.605 8.717 0.552 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -8.653 6.540 -0.620 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -6.988 7.120 -0.372 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -7.647 5.834 0.667 1.00 0.00 H new ATOM 864 N ASP A 84 -9.581 6.727 2.928 1.00 0.00 N ATOM 865 CA ASP A 84 -10.748 6.236 3.653 1.00 0.00 C ATOM 866 C ASP A 84 -11.246 7.272 4.659 1.00 0.00 C ATOM 867 O ASP A 84 -11.919 6.931 5.631 1.00 0.00 O ATOM 868 CB ASP A 84 -10.410 4.931 4.376 1.00 0.00 C ATOM 869 CG ASP A 84 -11.562 3.945 4.359 1.00 0.00 C ATOM 870 OD1 ASP A 84 -12.677 4.329 4.771 1.00 0.00 O ATOM 871 OD2 ASP A 84 -11.349 2.791 3.933 1.00 0.00 O ATOM 0 H ASP A 84 -8.692 6.565 3.401 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.541 6.051 2.929 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -9.538 4.475 3.907 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -10.139 5.151 5.409 1.00 0.00 H new ATOM 876 N MET A 85 -10.906 8.536 4.423 1.00 0.00 N ATOM 877 CA MET A 85 -11.315 9.616 5.317 1.00 0.00 C ATOM 878 C MET A 85 -11.944 10.779 4.549 1.00 0.00 C ATOM 879 O MET A 85 -12.807 11.484 5.073 1.00 0.00 O ATOM 880 CB MET A 85 -10.116 10.117 6.122 1.00 0.00 C ATOM 881 CG MET A 85 -10.502 10.835 7.404 1.00 0.00 C ATOM 882 SD MET A 85 -11.106 9.707 8.675 1.00 0.00 S ATOM 883 CE MET A 85 -9.573 9.258 9.485 1.00 0.00 C ATOM 0 H MET A 85 -10.350 8.838 3.623 1.00 0.00 H new ATOM 0 HA MET A 85 -12.068 9.214 5.995 1.00 0.00 H new ATOM 0 HB2 MET A 85 -9.475 9.271 6.368 1.00 0.00 H new ATOM 0 HB3 MET A 85 -9.528 10.792 5.500 1.00 0.00 H new ATOM 0 HG2 MET A 85 -9.638 11.378 7.786 1.00 0.00 H new ATOM 0 HG3 MET A 85 -11.272 11.575 7.184 1.00 0.00 H new ATOM 0 HE1 MET A 85 -9.781 8.562 10.298 1.00 0.00 H new ATOM 0 HE2 MET A 85 -8.906 8.785 8.764 1.00 0.00 H new ATOM 0 HE3 MET A 85 -9.098 10.153 9.887 1.00 0.00 H new ATOM 893 N GLN A 86 -11.497 10.983 3.310 1.00 0.00 N ATOM 894 CA GLN A 86 -12.004 12.069 2.470 1.00 0.00 C ATOM 895 C GLN A 86 -13.525 12.188 2.546 1.00 0.00 C ATOM 896 O GLN A 86 -14.079 13.275 2.382 1.00 0.00 O ATOM 897 CB GLN A 86 -11.574 11.856 1.018 1.00 0.00 C ATOM 898 CG GLN A 86 -11.815 13.065 0.130 1.00 0.00 C ATOM 899 CD GLN A 86 -13.029 12.900 -0.764 1.00 0.00 C ATOM 900 OE1 GLN A 86 -13.654 11.840 -0.793 1.00 0.00 O ATOM 901 NE2 GLN A 86 -13.369 13.953 -1.500 1.00 0.00 N ATOM 0 H GLN A 86 -10.782 10.408 2.864 1.00 0.00 H new ATOM 0 HA GLN A 86 -11.578 12.999 2.847 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -10.514 11.604 0.995 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -12.114 11.002 0.609 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -11.946 13.949 0.754 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -10.934 13.238 -0.488 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -12.822 14.812 -1.444 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -14.177 13.902 -2.121 1.00 0.00 H new ATOM 910 N HIS A 87 -14.196 11.069 2.795 1.00 0.00 N ATOM 911 CA HIS A 87 -15.654 11.061 2.891 1.00 0.00 C ATOM 912 C HIS A 87 -16.107 11.734 4.183 1.00 0.00 C ATOM 913 O HIS A 87 -16.634 11.084 5.083 1.00 0.00 O ATOM 914 CB HIS A 87 -16.206 9.630 2.824 1.00 0.00 C ATOM 915 CG HIS A 87 -15.346 8.679 2.048 1.00 0.00 C ATOM 916 ND1 HIS A 87 -14.218 8.089 2.575 1.00 0.00 N ATOM 917 CD2 HIS A 87 -15.450 8.221 0.777 1.00 0.00 C ATOM 918 CE1 HIS A 87 -13.662 7.314 1.663 1.00 0.00 C ATOM 919 NE2 HIS A 87 -14.390 7.375 0.564 1.00 0.00 N ATOM 0 H HIS A 87 -13.758 10.159 2.934 1.00 0.00 H new ATOM 0 HA HIS A 87 -16.047 11.620 2.042 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -16.325 9.250 3.839 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -17.199 9.655 2.374 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -13.867 8.229 3.522 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -16.222 8.474 0.065 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -12.764 6.729 1.794 1.00 0.00 H new ATOM 1110 N LEU A 101 -5.528 16.820 0.077 1.00 0.00 N ATOM 1111 CA LEU A 101 -6.282 16.710 -1.166 1.00 0.00 C ATOM 1112 C LEU A 101 -6.730 15.268 -1.409 1.00 0.00 C ATOM 1113 O LEU A 101 -5.952 14.331 -1.231 1.00 0.00 O ATOM 1114 CB LEU A 101 -5.440 17.201 -2.346 1.00 0.00 C ATOM 1115 CG LEU A 101 -4.631 18.472 -2.078 1.00 0.00 C ATOM 1116 CD1 LEU A 101 -3.291 18.417 -2.794 1.00 0.00 C ATOM 1117 CD2 LEU A 101 -5.416 19.702 -2.508 1.00 0.00 C ATOM 0 HA LEU A 101 -7.170 17.336 -1.077 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -4.754 16.406 -2.639 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.100 17.381 -3.194 1.00 0.00 H new ATOM 0 HG LEU A 101 -4.443 18.539 -1.007 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -2.732 19.330 -2.590 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -2.724 17.557 -2.438 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -3.456 18.324 -3.868 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -4.826 20.597 -2.311 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -5.635 19.640 -3.574 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -6.350 19.752 -1.948 1.00 0.00 H new ATOM 1129 N PRO A 102 -7.997 15.071 -1.816 1.00 0.00 N ATOM 1130 CA PRO A 102 -8.547 13.735 -2.078 1.00 0.00 C ATOM 1131 C PRO A 102 -7.674 12.910 -3.019 1.00 0.00 C ATOM 1132 O PRO A 102 -7.742 11.681 -3.021 1.00 0.00 O ATOM 1133 CB PRO A 102 -9.899 14.030 -2.731 1.00 0.00 C ATOM 1134 CG PRO A 102 -10.282 15.372 -2.216 1.00 0.00 C ATOM 1135 CD PRO A 102 -8.996 16.133 -2.047 1.00 0.00 C ATOM 0 HA PRO A 102 -8.614 13.142 -1.166 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -9.822 14.030 -3.818 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -10.640 13.277 -2.464 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -10.948 15.882 -2.912 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -10.814 15.289 -1.268 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -8.758 16.722 -2.933 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -9.047 16.826 -1.207 1.00 0.00 H new ATOM 1143 N HIS A 103 -6.861 13.587 -3.824 1.00 0.00 N ATOM 1144 CA HIS A 103 -5.988 12.902 -4.771 1.00 0.00 C ATOM 1145 C HIS A 103 -4.656 12.523 -4.127 1.00 0.00 C ATOM 1146 O HIS A 103 -3.978 11.604 -4.586 1.00 0.00 O ATOM 1147 CB HIS A 103 -5.745 13.778 -6.001 1.00 0.00 C ATOM 1148 CG HIS A 103 -5.062 15.074 -5.691 1.00 0.00 C ATOM 1149 ND1 HIS A 103 -3.796 15.150 -5.149 1.00 0.00 N ATOM 1150 CD2 HIS A 103 -5.478 16.354 -5.849 1.00 0.00 C ATOM 1151 CE1 HIS A 103 -3.464 16.418 -4.987 1.00 0.00 C ATOM 1152 NE2 HIS A 103 -4.466 17.168 -5.404 1.00 0.00 N ATOM 0 H HIS A 103 -6.788 14.604 -3.840 1.00 0.00 H new ATOM 0 HA HIS A 103 -6.488 11.984 -5.079 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -5.142 13.222 -6.719 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -6.701 13.987 -6.482 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -6.428 16.674 -6.250 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -2.530 16.780 -4.582 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -4.486 18.188 -5.397 1.00 0.00 H new ATOM 1161 N GLU A 104 -4.285 13.229 -3.061 1.00 0.00 N ATOM 1162 CA GLU A 104 -3.032 12.953 -2.361 1.00 0.00 C ATOM 1163 C GLU A 104 -2.919 11.472 -2.014 1.00 0.00 C ATOM 1164 O GLU A 104 -1.853 10.870 -2.147 1.00 0.00 O ATOM 1165 CB GLU A 104 -2.937 13.791 -1.084 1.00 0.00 C ATOM 1166 CG GLU A 104 -2.561 15.242 -1.334 1.00 0.00 C ATOM 1167 CD GLU A 104 -1.535 15.756 -0.343 1.00 0.00 C ATOM 1168 OE1 GLU A 104 -0.360 15.344 -0.437 1.00 0.00 O ATOM 1169 OE2 GLU A 104 -1.907 16.571 0.528 1.00 0.00 O ATOM 0 H GLU A 104 -4.831 13.993 -2.664 1.00 0.00 H new ATOM 0 HA GLU A 104 -2.210 13.220 -3.025 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -3.895 13.757 -0.565 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -2.199 13.343 -0.419 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -2.167 15.343 -2.345 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -3.457 15.861 -1.278 1.00 0.00 H new ATOM 1176 N ASN A 105 -4.029 10.893 -1.572 1.00 0.00 N ATOM 1177 CA ASN A 105 -4.065 9.483 -1.206 1.00 0.00 C ATOM 1178 C ASN A 105 -4.030 8.600 -2.449 1.00 0.00 C ATOM 1179 O ASN A 105 -3.349 7.576 -2.477 1.00 0.00 O ATOM 1180 CB ASN A 105 -5.323 9.181 -0.388 1.00 0.00 C ATOM 1181 CG ASN A 105 -6.581 9.716 -1.042 1.00 0.00 C ATOM 1182 OD1 ASN A 105 -7.200 9.045 -1.868 1.00 0.00 O ATOM 1183 ND2 ASN A 105 -6.965 10.932 -0.674 1.00 0.00 N ATOM 0 H ASN A 105 -4.918 11.380 -1.458 1.00 0.00 H new ATOM 0 HA ASN A 105 -3.185 9.265 -0.601 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -5.416 8.103 -0.255 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -5.220 9.617 0.606 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -7.804 11.346 -1.080 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -6.421 11.452 0.014 1.00 0.00 H new ATOM 1190 N VAL A 106 -4.773 9.006 -3.474 1.00 0.00 N ATOM 1191 CA VAL A 106 -4.837 8.256 -4.724 1.00 0.00 C ATOM 1192 C VAL A 106 -3.451 8.061 -5.333 1.00 0.00 C ATOM 1193 O VAL A 106 -2.944 6.941 -5.400 1.00 0.00 O ATOM 1194 CB VAL A 106 -5.741 8.965 -5.751 1.00 0.00 C ATOM 1195 CG1 VAL A 106 -5.921 8.107 -6.994 1.00 0.00 C ATOM 1196 CG2 VAL A 106 -7.087 9.306 -5.131 1.00 0.00 C ATOM 0 H VAL A 106 -5.341 9.853 -3.463 1.00 0.00 H new ATOM 0 HA VAL A 106 -5.258 7.280 -4.483 1.00 0.00 H new ATOM 0 HB VAL A 106 -5.257 9.895 -6.050 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -6.563 8.627 -7.705 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -4.949 7.920 -7.451 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -6.380 7.158 -6.718 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -7.712 9.806 -5.871 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -7.578 8.391 -4.801 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -6.937 9.966 -4.277 1.00 0.00 H new ATOM 1206 N ASP A 107 -2.847 9.157 -5.783 1.00 0.00 N ATOM 1207 CA ASP A 107 -1.522 9.110 -6.398 1.00 0.00 C ATOM 1208 C ASP A 107 -0.533 8.329 -5.536 1.00 0.00 C ATOM 1209 O ASP A 107 0.228 7.502 -6.041 1.00 0.00 O ATOM 1210 CB ASP A 107 -1.000 10.529 -6.633 1.00 0.00 C ATOM 1211 CG ASP A 107 -0.316 10.679 -7.978 1.00 0.00 C ATOM 1212 OD1 ASP A 107 -0.740 10.001 -8.938 1.00 0.00 O ATOM 1213 OD2 ASP A 107 0.643 11.474 -8.071 1.00 0.00 O ATOM 0 H ASP A 107 -3.254 10.091 -5.734 1.00 0.00 H new ATOM 0 HA ASP A 107 -1.617 8.595 -7.354 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -1.830 11.233 -6.570 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -0.299 10.791 -5.841 1.00 0.00 H new ATOM 1218 N ASP A 108 -0.544 8.598 -4.236 1.00 0.00 N ATOM 1219 CA ASP A 108 0.357 7.923 -3.309 1.00 0.00 C ATOM 1220 C ASP A 108 0.017 6.439 -3.189 1.00 0.00 C ATOM 1221 O ASP A 108 0.891 5.613 -2.924 1.00 0.00 O ATOM 1222 CB ASP A 108 0.296 8.586 -1.933 1.00 0.00 C ATOM 1223 CG ASP A 108 1.041 9.906 -1.893 1.00 0.00 C ATOM 1224 OD1 ASP A 108 0.860 10.718 -2.824 1.00 0.00 O ATOM 1225 OD2 ASP A 108 1.806 10.127 -0.930 1.00 0.00 O ATOM 0 H ASP A 108 -1.166 9.278 -3.800 1.00 0.00 H new ATOM 0 HA ASP A 108 1.369 8.009 -3.704 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -0.746 8.752 -1.659 1.00 0.00 H new ATOM 0 HB3 ASP A 108 0.718 7.911 -1.189 1.00 0.00 H new ATOM 1230 N MET A 109 -1.255 6.105 -3.385 1.00 0.00 N ATOM 1231 CA MET A 109 -1.699 4.719 -3.295 1.00 0.00 C ATOM 1232 C MET A 109 -1.050 3.868 -4.380 1.00 0.00 C ATOM 1233 O MET A 109 -0.294 2.942 -4.086 1.00 0.00 O ATOM 1234 CB MET A 109 -3.222 4.634 -3.407 1.00 0.00 C ATOM 1235 CG MET A 109 -3.870 3.877 -2.260 1.00 0.00 C ATOM 1236 SD MET A 109 -4.673 4.969 -1.073 1.00 0.00 S ATOM 1237 CE MET A 109 -6.336 5.002 -1.730 1.00 0.00 C ATOM 0 H MET A 109 -1.994 6.773 -3.606 1.00 0.00 H new ATOM 0 HA MET A 109 -1.394 4.333 -2.322 1.00 0.00 H new ATOM 0 HB2 MET A 109 -3.633 5.643 -3.445 1.00 0.00 H new ATOM 0 HB3 MET A 109 -3.483 4.148 -4.347 1.00 0.00 H new ATOM 0 HG2 MET A 109 -4.605 3.179 -2.660 1.00 0.00 H new ATOM 0 HG3 MET A 109 -3.113 3.284 -1.747 1.00 0.00 H new ATOM 0 HE1 MET A 109 -6.536 5.981 -2.165 1.00 0.00 H new ATOM 0 HE2 MET A 109 -6.439 4.235 -2.498 1.00 0.00 H new ATOM 0 HE3 MET A 109 -7.048 4.810 -0.928 1.00 0.00 H new ATOM 1247 N ARG A 110 -1.350 4.186 -5.636 1.00 0.00 N ATOM 1248 CA ARG A 110 -0.793 3.448 -6.765 1.00 0.00 C ATOM 1249 C ARG A 110 0.716 3.283 -6.613 1.00 0.00 C ATOM 1250 O ARG A 110 1.295 2.303 -7.081 1.00 0.00 O ATOM 1251 CB ARG A 110 -1.116 4.160 -8.081 1.00 0.00 C ATOM 1252 CG ARG A 110 -0.411 5.499 -8.241 1.00 0.00 C ATOM 1253 CD ARG A 110 0.555 5.492 -9.417 1.00 0.00 C ATOM 1254 NE ARG A 110 0.335 6.625 -10.313 1.00 0.00 N ATOM 1255 CZ ARG A 110 -0.630 6.669 -11.229 1.00 0.00 C ATOM 1256 NH1 ARG A 110 -1.467 5.649 -11.371 1.00 0.00 N ATOM 1257 NH2 ARG A 110 -0.760 7.738 -12.003 1.00 0.00 N ATOM 0 H ARG A 110 -1.975 4.949 -5.897 1.00 0.00 H new ATOM 0 HA ARG A 110 -1.248 2.458 -6.781 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -0.839 3.512 -8.912 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -2.193 4.316 -8.144 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -1.152 6.285 -8.384 1.00 0.00 H new ATOM 0 HG3 ARG A 110 0.132 5.736 -7.326 1.00 0.00 H new ATOM 0 HD2 ARG A 110 1.579 5.518 -9.045 1.00 0.00 H new ATOM 0 HD3 ARG A 110 0.441 4.562 -9.974 1.00 0.00 H new ATOM 0 HE ARG A 110 0.957 7.429 -10.232 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -1.373 4.826 -10.777 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -2.204 5.689 -12.075 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -0.121 8.526 -11.896 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -1.499 7.772 -12.705 1.00 0.00 H new ATOM 1271 N SER A 111 1.346 4.247 -5.948 1.00 0.00 N ATOM 1272 CA SER A 111 2.785 4.203 -5.725 1.00 0.00 C ATOM 1273 C SER A 111 3.152 3.001 -4.860 1.00 0.00 C ATOM 1274 O SER A 111 4.191 2.372 -5.061 1.00 0.00 O ATOM 1275 CB SER A 111 3.261 5.495 -5.058 1.00 0.00 C ATOM 1276 OG SER A 111 4.499 5.922 -5.598 1.00 0.00 O ATOM 0 H SER A 111 0.882 5.066 -5.555 1.00 0.00 H new ATOM 0 HA SER A 111 3.281 4.104 -6.691 1.00 0.00 H new ATOM 0 HB2 SER A 111 2.513 6.276 -5.195 1.00 0.00 H new ATOM 0 HB3 SER A 111 3.364 5.337 -3.984 1.00 0.00 H new ATOM 0 HG SER A 111 4.780 6.750 -5.156 1.00 0.00 H new ATOM 1282 N ALA A 112 2.287 2.686 -3.901 1.00 0.00 N ATOM 1283 CA ALA A 112 2.515 1.556 -3.009 1.00 0.00 C ATOM 1284 C ALA A 112 2.578 0.251 -3.794 1.00 0.00 C ATOM 1285 O ALA A 112 3.439 -0.592 -3.546 1.00 0.00 O ATOM 1286 CB ALA A 112 1.424 1.487 -1.950 1.00 0.00 C ATOM 0 H ALA A 112 1.423 3.197 -3.722 1.00 0.00 H new ATOM 0 HA ALA A 112 3.474 1.702 -2.512 1.00 0.00 H new ATOM 0 HB1 ALA A 112 1.609 0.638 -1.292 1.00 0.00 H new ATOM 0 HB2 ALA A 112 1.426 2.407 -1.365 1.00 0.00 H new ATOM 0 HB3 ALA A 112 0.455 1.367 -2.434 1.00 0.00 H new ATOM 1292 N ILE A 113 1.662 0.092 -4.745 1.00 0.00 N ATOM 1293 CA ILE A 113 1.619 -1.110 -5.566 1.00 0.00 C ATOM 1294 C ILE A 113 2.899 -1.250 -6.387 1.00 0.00 C ATOM 1295 O ILE A 113 3.336 -2.359 -6.689 1.00 0.00 O ATOM 1296 CB ILE A 113 0.384 -1.116 -6.501 1.00 0.00 C ATOM 1297 CG1 ILE A 113 -0.231 -2.516 -6.557 1.00 0.00 C ATOM 1298 CG2 ILE A 113 0.742 -0.634 -7.902 1.00 0.00 C ATOM 1299 CD1 ILE A 113 -1.417 -2.692 -5.634 1.00 0.00 C ATOM 0 H ILE A 113 0.942 0.780 -4.965 1.00 0.00 H new ATOM 0 HA ILE A 113 1.537 -1.962 -4.892 1.00 0.00 H new ATOM 0 HB ILE A 113 -0.350 -0.423 -6.091 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -0.543 -2.727 -7.580 1.00 0.00 H new ATOM 0 HG13 ILE A 113 0.532 -3.250 -6.299 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -0.148 -0.651 -8.531 1.00 0.00 H new ATOM 0 HG22 ILE A 113 1.129 0.384 -7.849 1.00 0.00 H new ATOM 0 HG23 ILE A 113 1.501 -1.289 -8.329 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.802 -3.708 -5.726 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -1.107 -2.513 -4.605 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -2.198 -1.982 -5.906 1.00 0.00 H new ATOM 1311 N THR A 114 3.499 -0.117 -6.739 1.00 0.00 N ATOM 1312 CA THR A 114 4.732 -0.119 -7.515 1.00 0.00 C ATOM 1313 C THR A 114 5.830 -0.857 -6.759 1.00 0.00 C ATOM 1314 O THR A 114 6.656 -1.548 -7.355 1.00 0.00 O ATOM 1315 CB THR A 114 5.175 1.314 -7.818 1.00 0.00 C ATOM 1316 OG1 THR A 114 4.171 2.008 -8.537 1.00 0.00 O ATOM 1317 CG2 THR A 114 6.452 1.386 -8.627 1.00 0.00 C ATOM 0 H THR A 114 3.152 0.812 -6.499 1.00 0.00 H new ATOM 0 HA THR A 114 4.546 -0.634 -8.458 1.00 0.00 H new ATOM 0 HB THR A 114 5.353 1.774 -6.846 1.00 0.00 H new ATOM 0 HG1 THR A 114 3.380 2.119 -7.969 1.00 0.00 H new ATOM 0 HG21 THR A 114 6.710 2.430 -8.807 1.00 0.00 H new ATOM 0 HG22 THR A 114 7.259 0.902 -8.077 1.00 0.00 H new ATOM 0 HG23 THR A 114 6.308 0.878 -9.581 1.00 0.00 H new ATOM 1325 N ASP A 115 5.821 -0.712 -5.438 1.00 0.00 N ATOM 1326 CA ASP A 115 6.805 -1.370 -4.589 1.00 0.00 C ATOM 1327 C ASP A 115 6.342 -2.777 -4.228 1.00 0.00 C ATOM 1328 O ASP A 115 7.126 -3.726 -4.258 1.00 0.00 O ATOM 1329 CB ASP A 115 7.042 -0.554 -3.316 1.00 0.00 C ATOM 1330 CG ASP A 115 8.507 -0.491 -2.933 1.00 0.00 C ATOM 1331 OD1 ASP A 115 9.197 -1.525 -3.055 1.00 0.00 O ATOM 1332 OD2 ASP A 115 8.965 0.592 -2.511 1.00 0.00 O ATOM 0 H ASP A 115 5.142 -0.143 -4.932 1.00 0.00 H new ATOM 0 HA ASP A 115 7.742 -1.440 -5.141 1.00 0.00 H new ATOM 0 HB2 ASP A 115 6.664 0.458 -3.461 1.00 0.00 H new ATOM 0 HB3 ASP A 115 6.474 -0.993 -2.496 1.00 0.00 H new ATOM 1337 N TRP A 116 5.061 -2.905 -3.894 1.00 0.00 N ATOM 1338 CA TRP A 116 4.492 -4.198 -3.536 1.00 0.00 C ATOM 1339 C TRP A 116 4.530 -5.145 -4.729 1.00 0.00 C ATOM 1340 O TRP A 116 5.014 -6.272 -4.625 1.00 0.00 O ATOM 1341 CB TRP A 116 3.053 -4.031 -3.043 1.00 0.00 C ATOM 1342 CG TRP A 116 2.963 -3.706 -1.584 1.00 0.00 C ATOM 1343 CD1 TRP A 116 2.918 -2.463 -1.023 1.00 0.00 C ATOM 1344 CD2 TRP A 116 2.910 -4.639 -0.499 1.00 0.00 C ATOM 1345 NE1 TRP A 116 2.840 -2.565 0.345 1.00 0.00 N ATOM 1346 CE2 TRP A 116 2.834 -3.891 0.691 1.00 0.00 C ATOM 1347 CE3 TRP A 116 2.919 -6.035 -0.418 1.00 0.00 C ATOM 1348 CZ2 TRP A 116 2.767 -4.492 1.946 1.00 0.00 C ATOM 1349 CZ3 TRP A 116 2.852 -6.630 0.828 1.00 0.00 C ATOM 1350 CH2 TRP A 116 2.777 -5.859 1.995 1.00 0.00 C ATOM 0 H TRP A 116 4.399 -2.129 -3.864 1.00 0.00 H new ATOM 0 HA TRP A 116 5.090 -4.625 -2.731 1.00 0.00 H new ATOM 0 HB2 TRP A 116 2.569 -3.239 -3.615 1.00 0.00 H new ATOM 0 HB3 TRP A 116 2.500 -4.950 -3.239 1.00 0.00 H new ATOM 0 HD1 TRP A 116 2.940 -1.534 -1.574 1.00 0.00 H new ATOM 0 HE1 TRP A 116 2.794 -1.782 0.997 1.00 0.00 H new ATOM 0 HE3 TRP A 116 2.977 -6.637 -1.313 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 2.709 -3.900 2.848 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 2.858 -7.707 0.903 1.00 0.00 H new ATOM 0 HH2 TRP A 116 2.726 -6.354 2.953 1.00 0.00 H new ATOM 1361 N SER A 117 4.027 -4.673 -5.866 1.00 0.00 N ATOM 1362 CA SER A 117 4.015 -5.473 -7.085 1.00 0.00 C ATOM 1363 C SER A 117 5.431 -5.919 -7.437 1.00 0.00 C ATOM 1364 O SER A 117 5.684 -7.102 -7.672 1.00 0.00 O ATOM 1365 CB SER A 117 3.415 -4.673 -8.242 1.00 0.00 C ATOM 1366 OG SER A 117 3.070 -5.520 -9.324 1.00 0.00 O ATOM 0 H SER A 117 3.623 -3.742 -5.968 1.00 0.00 H new ATOM 0 HA SER A 117 3.399 -6.356 -6.914 1.00 0.00 H new ATOM 0 HB2 SER A 117 2.529 -4.139 -7.898 1.00 0.00 H new ATOM 0 HB3 SER A 117 4.130 -3.922 -8.578 1.00 0.00 H new ATOM 0 HG SER A 117 2.687 -4.984 -10.050 1.00 0.00 H new ATOM 1372 N ASP A 118 6.352 -4.960 -7.459 1.00 0.00 N ATOM 1373 CA ASP A 118 7.746 -5.245 -7.767 1.00 0.00 C ATOM 1374 C ASP A 118 8.323 -6.227 -6.755 1.00 0.00 C ATOM 1375 O ASP A 118 9.168 -7.058 -7.089 1.00 0.00 O ATOM 1376 CB ASP A 118 8.566 -3.954 -7.766 1.00 0.00 C ATOM 1377 CG ASP A 118 10.001 -4.179 -8.200 1.00 0.00 C ATOM 1378 OD1 ASP A 118 10.236 -4.331 -9.417 1.00 0.00 O ATOM 1379 OD2 ASP A 118 10.890 -4.204 -7.323 1.00 0.00 O ATOM 0 H ASP A 118 6.156 -3.978 -7.267 1.00 0.00 H new ATOM 0 HA ASP A 118 7.794 -5.693 -8.760 1.00 0.00 H new ATOM 0 HB2 ASP A 118 8.098 -3.229 -8.432 1.00 0.00 H new ATOM 0 HB3 ASP A 118 8.556 -3.521 -6.766 1.00 0.00 H new ATOM 1384 N MET A 119 7.853 -6.127 -5.515 1.00 0.00 N ATOM 1385 CA MET A 119 8.314 -7.008 -4.451 1.00 0.00 C ATOM 1386 C MET A 119 7.832 -8.433 -4.690 1.00 0.00 C ATOM 1387 O MET A 119 8.558 -9.393 -4.443 1.00 0.00 O ATOM 1388 CB MET A 119 7.818 -6.510 -3.092 1.00 0.00 C ATOM 1389 CG MET A 119 8.508 -7.175 -1.913 1.00 0.00 C ATOM 1390 SD MET A 119 8.165 -6.345 -0.349 1.00 0.00 S ATOM 1391 CE MET A 119 9.819 -6.190 0.320 1.00 0.00 C ATOM 0 H MET A 119 7.153 -5.444 -5.224 1.00 0.00 H new ATOM 0 HA MET A 119 9.404 -7.002 -4.452 1.00 0.00 H new ATOM 0 HB2 MET A 119 7.971 -5.432 -3.031 1.00 0.00 H new ATOM 0 HB3 MET A 119 6.744 -6.684 -3.020 1.00 0.00 H new ATOM 0 HG2 MET A 119 8.185 -8.214 -1.847 1.00 0.00 H new ATOM 0 HG3 MET A 119 9.584 -7.186 -2.086 1.00 0.00 H new ATOM 0 HE1 MET A 119 9.836 -5.398 1.069 1.00 0.00 H new ATOM 0 HE2 MET A 119 10.115 -7.132 0.782 1.00 0.00 H new ATOM 0 HE3 MET A 119 10.515 -5.945 -0.483 1.00 0.00 H new ATOM 1401 N ARG A 120 6.603 -8.565 -5.178 1.00 0.00 N ATOM 1402 CA ARG A 120 6.030 -9.878 -5.455 1.00 0.00 C ATOM 1403 C ARG A 120 6.970 -10.703 -6.328 1.00 0.00 C ATOM 1404 O ARG A 120 7.171 -11.894 -6.089 1.00 0.00 O ATOM 1405 CB ARG A 120 4.672 -9.730 -6.143 1.00 0.00 C ATOM 1406 CG ARG A 120 3.716 -10.877 -5.858 1.00 0.00 C ATOM 1407 CD ARG A 120 2.522 -10.855 -6.799 1.00 0.00 C ATOM 1408 NE ARG A 120 1.469 -9.959 -6.326 1.00 0.00 N ATOM 1409 CZ ARG A 120 0.602 -10.276 -5.367 1.00 0.00 C ATOM 1410 NH1 ARG A 120 0.659 -11.463 -4.776 1.00 0.00 N ATOM 1411 NH2 ARG A 120 -0.325 -9.403 -4.997 1.00 0.00 N ATOM 0 H ARG A 120 5.986 -7.781 -5.390 1.00 0.00 H new ATOM 0 HA ARG A 120 5.892 -10.397 -4.507 1.00 0.00 H new ATOM 0 HB2 ARG A 120 4.211 -8.796 -5.821 1.00 0.00 H new ATOM 0 HB3 ARG A 120 4.826 -9.656 -7.220 1.00 0.00 H new ATOM 0 HG2 ARG A 120 4.243 -11.825 -5.960 1.00 0.00 H new ATOM 0 HG3 ARG A 120 3.369 -10.815 -4.827 1.00 0.00 H new ATOM 0 HD2 ARG A 120 2.848 -10.540 -7.791 1.00 0.00 H new ATOM 0 HD3 ARG A 120 2.121 -11.864 -6.900 1.00 0.00 H new ATOM 0 HE ARG A 120 1.394 -9.037 -6.756 1.00 0.00 H new ATOM 0 HH11 ARG A 120 1.370 -12.138 -5.056 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -0.008 -11.700 -4.042 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -0.373 -8.489 -5.447 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -0.990 -9.645 -4.262 1.00 0.00 H new ATOM 1425 N GLU A 121 7.545 -10.058 -7.338 1.00 0.00 N ATOM 1426 CA GLU A 121 8.468 -10.729 -8.247 1.00 0.00 C ATOM 1427 C GLU A 121 9.869 -10.807 -7.648 1.00 0.00 C ATOM 1428 O GLU A 121 10.567 -11.808 -7.806 1.00 0.00 O ATOM 1429 CB GLU A 121 8.516 -9.995 -9.589 1.00 0.00 C ATOM 1430 CG GLU A 121 7.493 -10.498 -10.595 1.00 0.00 C ATOM 1431 CD GLU A 121 8.082 -10.691 -11.979 1.00 0.00 C ATOM 1432 OE1 GLU A 121 8.208 -9.690 -12.715 1.00 0.00 O ATOM 1433 OE2 GLU A 121 8.418 -11.843 -12.326 1.00 0.00 O ATOM 0 H GLU A 121 7.388 -9.072 -7.548 1.00 0.00 H new ATOM 0 HA GLU A 121 8.106 -11.745 -8.406 1.00 0.00 H new ATOM 0 HB2 GLU A 121 8.352 -8.931 -9.418 1.00 0.00 H new ATOM 0 HB3 GLU A 121 9.514 -10.099 -10.015 1.00 0.00 H new ATOM 0 HG2 GLU A 121 7.079 -11.444 -10.245 1.00 0.00 H new ATOM 0 HG3 GLU A 121 6.666 -9.790 -10.652 1.00 0.00 H new ATOM 1440 N ALA A 122 10.276 -9.743 -6.962 1.00 0.00 N ATOM 1441 CA ALA A 122 11.596 -9.691 -6.343 1.00 0.00 C ATOM 1442 C ALA A 122 11.690 -10.648 -5.159 1.00 0.00 C ATOM 1443 O ALA A 122 12.520 -11.557 -5.146 1.00 0.00 O ATOM 1444 CB ALA A 122 11.914 -8.270 -5.900 1.00 0.00 C ATOM 0 H ALA A 122 9.711 -8.906 -6.821 1.00 0.00 H new ATOM 0 HA ALA A 122 12.329 -10.004 -7.086 1.00 0.00 H new ATOM 0 HB1 ALA A 122 12.902 -8.245 -5.440 1.00 0.00 H new ATOM 0 HB2 ALA A 122 11.900 -7.607 -6.765 1.00 0.00 H new ATOM 0 HB3 ALA A 122 11.168 -7.939 -5.177 1.00 0.00 H new ATOM 1450 N LEU A 123 10.833 -10.435 -4.164 1.00 0.00 N ATOM 1451 CA LEU A 123 10.815 -11.275 -2.969 1.00 0.00 C ATOM 1452 C LEU A 123 10.742 -12.755 -3.339 1.00 0.00 C ATOM 1453 O LEU A 123 11.452 -13.582 -2.767 1.00 0.00 O ATOM 1454 CB LEU A 123 9.630 -10.899 -2.075 1.00 0.00 C ATOM 1455 CG LEU A 123 9.966 -10.721 -0.594 1.00 0.00 C ATOM 1456 CD1 LEU A 123 11.008 -9.629 -0.410 1.00 0.00 C ATOM 1457 CD2 LEU A 123 8.709 -10.402 0.202 1.00 0.00 C ATOM 0 H LEU A 123 10.140 -9.686 -4.161 1.00 0.00 H new ATOM 0 HA LEU A 123 11.743 -11.105 -2.423 1.00 0.00 H new ATOM 0 HB2 LEU A 123 9.194 -9.972 -2.447 1.00 0.00 H new ATOM 0 HB3 LEU A 123 8.865 -11.670 -2.168 1.00 0.00 H new ATOM 0 HG LEU A 123 10.382 -11.657 -0.220 1.00 0.00 H new ATOM 0 HD11 LEU A 123 11.234 -9.517 0.650 1.00 0.00 H new ATOM 0 HD12 LEU A 123 11.917 -9.899 -0.948 1.00 0.00 H new ATOM 0 HD13 LEU A 123 10.621 -8.688 -0.800 1.00 0.00 H new ATOM 0 HD21 LEU A 123 8.966 -10.278 1.254 1.00 0.00 H new ATOM 0 HD22 LEU A 123 8.265 -9.480 -0.174 1.00 0.00 H new ATOM 0 HD23 LEU A 123 7.995 -11.218 0.097 1.00 0.00 H new ATOM 1469 N GLN A 124 9.880 -13.082 -4.298 1.00 0.00 N ATOM 1470 CA GLN A 124 9.719 -14.462 -4.742 1.00 0.00 C ATOM 1471 C GLN A 124 11.049 -15.040 -5.218 1.00 0.00 C ATOM 1472 O GLN A 124 11.376 -16.191 -4.930 1.00 0.00 O ATOM 1473 CB GLN A 124 8.683 -14.542 -5.865 1.00 0.00 C ATOM 1474 CG GLN A 124 7.293 -14.926 -5.385 1.00 0.00 C ATOM 1475 CD GLN A 124 6.586 -15.867 -6.341 1.00 0.00 C ATOM 1476 OE1 GLN A 124 5.941 -16.828 -5.921 1.00 0.00 O ATOM 1477 NE2 GLN A 124 6.704 -15.595 -7.635 1.00 0.00 N ATOM 0 H GLN A 124 9.283 -12.411 -4.782 1.00 0.00 H new ATOM 0 HA GLN A 124 9.371 -15.051 -3.894 1.00 0.00 H new ATOM 0 HB2 GLN A 124 8.630 -13.577 -6.369 1.00 0.00 H new ATOM 0 HB3 GLN A 124 9.017 -15.270 -6.605 1.00 0.00 H new ATOM 0 HG2 GLN A 124 7.368 -15.398 -4.405 1.00 0.00 H new ATOM 0 HG3 GLN A 124 6.694 -14.024 -5.259 1.00 0.00 H new ATOM 0 HE21 GLN A 124 7.248 -14.788 -7.939 1.00 0.00 H new ATOM 0 HE22 GLN A 124 6.250 -16.193 -8.325 1.00 0.00 H new ATOM 1486 N HIS A 125 11.812 -14.231 -5.946 1.00 0.00 N ATOM 1487 CA HIS A 125 13.106 -14.660 -6.462 1.00 0.00 C ATOM 1488 C HIS A 125 14.122 -14.800 -5.333 1.00 0.00 C ATOM 1489 O HIS A 125 14.778 -15.833 -5.199 1.00 0.00 O ATOM 1490 CB HIS A 125 13.619 -13.666 -7.505 1.00 0.00 C ATOM 1491 CG HIS A 125 14.763 -14.188 -8.318 1.00 0.00 C ATOM 1492 ND1 HIS A 125 15.227 -13.561 -9.455 1.00 0.00 N ATOM 1493 CD2 HIS A 125 15.539 -15.286 -8.152 1.00 0.00 C ATOM 1494 CE1 HIS A 125 16.237 -14.251 -9.955 1.00 0.00 C ATOM 1495 NE2 HIS A 125 16.447 -15.301 -9.182 1.00 0.00 N ATOM 0 H HIS A 125 11.556 -13.275 -6.192 1.00 0.00 H new ATOM 0 HA HIS A 125 12.976 -15.634 -6.933 1.00 0.00 H new ATOM 0 HB2 HIS A 125 12.801 -13.399 -8.174 1.00 0.00 H new ATOM 0 HB3 HIS A 125 13.930 -12.751 -7.001 1.00 0.00 H new ATOM 0 HD2 HIS A 125 15.459 -16.014 -7.358 1.00 0.00 H new ATOM 0 HE1 HIS A 125 16.796 -13.999 -10.844 1.00 0.00 H new ATOM 0 HE2 HIS A 125 17.167 -16.009 -9.327 1.00 0.00 H new ATOM 1504 N ALA A 126 14.247 -13.753 -4.524 1.00 0.00 N ATOM 1505 CA ALA A 126 15.183 -13.757 -3.407 1.00 0.00 C ATOM 1506 C ALA A 126 14.877 -14.892 -2.436 1.00 0.00 C ATOM 1507 O ALA A 126 15.783 -15.468 -1.833 1.00 0.00 O ATOM 1508 CB ALA A 126 15.148 -12.418 -2.686 1.00 0.00 C ATOM 0 H ALA A 126 13.711 -12.891 -4.622 1.00 0.00 H new ATOM 0 HA ALA A 126 16.185 -13.917 -3.805 1.00 0.00 H new ATOM 0 HB1 ALA A 126 15.852 -12.434 -1.854 1.00 0.00 H new ATOM 0 HB2 ALA A 126 15.425 -11.624 -3.380 1.00 0.00 H new ATOM 0 HB3 ALA A 126 14.142 -12.235 -2.307 1.00 0.00 H new ATOM 1514 N MET A 127 13.595 -15.211 -2.289 1.00 0.00 N ATOM 1515 CA MET A 127 13.171 -16.279 -1.391 1.00 0.00 C ATOM 1516 C MET A 127 13.800 -17.609 -1.793 1.00 0.00 C ATOM 1517 O MET A 127 14.261 -18.372 -0.944 1.00 0.00 O ATOM 1518 CB MET A 127 11.646 -16.403 -1.394 1.00 0.00 C ATOM 1519 CG MET A 127 11.082 -17.006 -0.117 1.00 0.00 C ATOM 1520 SD MET A 127 9.481 -17.795 -0.371 1.00 0.00 S ATOM 1521 CE MET A 127 8.414 -16.363 -0.505 1.00 0.00 C ATOM 0 H MET A 127 12.832 -14.745 -2.780 1.00 0.00 H new ATOM 0 HA MET A 127 13.506 -16.027 -0.385 1.00 0.00 H new ATOM 0 HB2 MET A 127 11.210 -15.415 -1.543 1.00 0.00 H new ATOM 0 HB3 MET A 127 11.341 -17.017 -2.241 1.00 0.00 H new ATOM 0 HG2 MET A 127 11.786 -17.739 0.276 1.00 0.00 H new ATOM 0 HG3 MET A 127 10.982 -16.225 0.636 1.00 0.00 H new ATOM 0 HE1 MET A 127 7.588 -16.458 0.199 1.00 0.00 H new ATOM 0 HE2 MET A 127 8.984 -15.462 -0.277 1.00 0.00 H new ATOM 0 HE3 MET A 127 8.020 -16.296 -1.519 1.00 0.00 H new ATOM 1531 N GLY A 128 13.815 -17.880 -3.094 1.00 0.00 N ATOM 1532 CA GLY A 128 14.389 -19.117 -3.588 1.00 0.00 C ATOM 1533 C GLY A 128 13.574 -19.728 -4.710 1.00 0.00 C ATOM 1534 O GLY A 128 13.356 -20.939 -4.740 1.00 0.00 O ATOM 0 H GLY A 128 13.439 -17.264 -3.815 1.00 0.00 H new ATOM 0 HA2 GLY A 128 15.403 -18.928 -3.941 1.00 0.00 H new ATOM 0 HA3 GLY A 128 14.465 -19.831 -2.768 1.00 0.00 H new ATOM 1538 N ILE A 129 13.123 -18.888 -5.637 1.00 0.00 N ATOM 1539 CA ILE A 129 12.328 -19.352 -6.767 1.00 0.00 C ATOM 1540 C ILE A 129 12.719 -18.623 -8.047 1.00 0.00 C ATOM 1541 O ILE A 129 13.309 -17.545 -8.003 1.00 0.00 O ATOM 1542 CB ILE A 129 10.820 -19.149 -6.516 1.00 0.00 C ATOM 1543 CG1 ILE A 129 10.442 -19.621 -5.111 1.00 0.00 C ATOM 1544 CG2 ILE A 129 10.005 -19.889 -7.566 1.00 0.00 C ATOM 1545 CD1 ILE A 129 9.057 -19.188 -4.681 1.00 0.00 C ATOM 0 H ILE A 129 13.295 -17.883 -5.627 1.00 0.00 H new ATOM 0 HA ILE A 129 12.530 -20.417 -6.880 1.00 0.00 H new ATOM 0 HB ILE A 129 10.596 -18.085 -6.591 1.00 0.00 H new ATOM 0 HG12 ILE A 129 10.502 -20.709 -5.073 1.00 0.00 H new ATOM 0 HG13 ILE A 129 11.172 -19.237 -4.399 1.00 0.00 H new ATOM 0 HG21 ILE A 129 8.943 -19.737 -7.376 1.00 0.00 H new ATOM 0 HG22 ILE A 129 10.255 -19.508 -8.556 1.00 0.00 H new ATOM 0 HG23 ILE A 129 10.233 -20.954 -7.519 1.00 0.00 H new ATOM 0 HD11 ILE A 129 8.856 -19.558 -3.675 1.00 0.00 H new ATOM 0 HD12 ILE A 129 8.998 -18.100 -4.686 1.00 0.00 H new ATOM 0 HD13 ILE A 129 8.318 -19.595 -5.371 1.00 0.00 H new