USER MOD reduce.3.24.130724 H: found=0, std=0, add=987, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 990 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 128 THR OG1 : rot 15:sc= 1.17 USER MOD Set 1.2: A 131 GLN : amide:sc= -0.0264 K(o=1.1,f=-1.4) USER MOD Set 2.1: A 92 SER OG : rot 89:sc= 2.27 USER MOD Set 2.2: A 114 LYS NZ :NH3+ -150:sc= 1.26 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 100:sc= 1.22 USER MOD Single : A 19 ASN :FLIP amide:sc= 0 F(o=-0.89,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 163:sc= -0.0529 (180deg=-0.414) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 166:sc= -4.28 (180deg=-5.49!) USER MOD Single : A 30 LYS NZ :NH3+ 142:sc= 1.17 (180deg=0.283) USER MOD Single : A 36 MET CE :methyl -162:sc= -0.146 (180deg=-0.669) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.033 USER MOD Single : A 42 ASN : amide:sc= -0.244 X(o=-0.24,f=-0.19) USER MOD Single : A 46 LYS NZ :NH3+ -150:sc= 1.27 (180deg=1.16) USER MOD Single : A 51 TYR OH : rot 41:sc= -0.907! USER MOD Single : A 54 LYS NZ :NH3+ -163:sc= -0.0265 (180deg=-0.251) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.099) USER MOD Single : A 60 ASN : amide:sc=-0.00278 X(o=-0.0028,f=-0.0028) USER MOD Single : A 65 TYR OH : rot 180:sc= -0.0667 USER MOD Single : A 69 ASN : amide:sc= -0.431 K(o=-0.43,f=-5.7!) USER MOD Single : A 71 LYS NZ :NH3+ -170:sc= 1.24 (180deg=1.12) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc=-0.00779 USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=-0.063) USER MOD Single : A 84 LYS NZ :NH3+ -168:sc= -0.0254 (180deg=-0.189) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -114:sc= 0.468 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 LYS NZ :NH3+ 173:sc= -5.83! (180deg=-6.59!) USER MOD Single : A 112 GLN :FLIP amide:sc= -0.207 F(o=-1.7!,f=-0.21) USER MOD Single : A 116 LYS NZ :NH3+ 164:sc= -0.0538 (180deg=-0.38) USER MOD Single : A 118 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 120 ASN : amide:sc= -2.08! X(o=-2.1!,f=-2.1) USER MOD Single : A 121 MET CE :methyl -167:sc= -0.0323 (180deg=-0.302) USER MOD Single : A 125 MET CE :methyl 159:sc= -0.2 (180deg=-0.75) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 GLN : amide:sc= -1.48 X(o=-1.5,f=-1.8) USER MOD Single : A 140 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 15 -13.766 4.117 -1.367 1.00 0.00 N ATOM 2 CA GLY A 15 -15.176 3.899 -1.770 1.00 0.00 C ATOM 3 C GLY A 15 -16.004 3.344 -0.634 1.00 0.00 C ATOM 4 O GLY A 15 -15.516 3.217 0.491 1.00 0.00 O ATOM 0 HA2 GLY A 15 -15.607 4.841 -2.108 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -15.211 3.211 -2.615 1.00 0.00 H new ATOM 10 N SER A 16 -17.253 3.009 -0.917 1.00 0.00 N ATOM 11 CA SER A 16 -18.153 2.491 0.102 1.00 0.00 C ATOM 12 C SER A 16 -17.931 0.994 0.312 1.00 0.00 C ATOM 13 O SER A 16 -18.724 0.161 -0.130 1.00 0.00 O ATOM 14 CB SER A 16 -19.603 2.775 -0.288 1.00 0.00 C ATOM 15 OG SER A 16 -19.802 4.161 -0.514 1.00 0.00 O ATOM 0 H SER A 16 -17.667 3.087 -1.846 1.00 0.00 H new ATOM 0 HA SER A 16 -17.940 2.995 1.044 1.00 0.00 H new ATOM 0 HB2 SER A 16 -19.859 2.215 -1.188 1.00 0.00 H new ATOM 0 HB3 SER A 16 -20.271 2.431 0.502 1.00 0.00 H new ATOM 0 HG SER A 16 -20.736 4.321 -0.764 1.00 0.00 H new ATOM 21 N SER A 17 -16.840 0.663 0.981 1.00 0.00 N ATOM 22 CA SER A 17 -16.517 -0.719 1.281 1.00 0.00 C ATOM 23 C SER A 17 -16.399 -0.899 2.793 1.00 0.00 C ATOM 24 O SER A 17 -16.806 -0.018 3.557 1.00 0.00 O ATOM 25 CB SER A 17 -15.212 -1.119 0.580 1.00 0.00 C ATOM 26 OG SER A 17 -15.015 -2.523 0.605 1.00 0.00 O ATOM 0 H SER A 17 -16.159 1.339 1.328 1.00 0.00 H new ATOM 0 HA SER A 17 -17.313 -1.367 0.913 1.00 0.00 H new ATOM 0 HB2 SER A 17 -15.232 -0.772 -0.453 1.00 0.00 H new ATOM 0 HB3 SER A 17 -14.371 -0.624 1.066 1.00 0.00 H new ATOM 0 HG SER A 17 -15.280 -2.906 -0.257 1.00 0.00 H new ATOM 32 N GLY A 18 -15.852 -2.028 3.218 1.00 0.00 N ATOM 33 CA GLY A 18 -15.676 -2.286 4.633 1.00 0.00 C ATOM 34 C GLY A 18 -14.704 -1.316 5.271 1.00 0.00 C ATOM 35 O GLY A 18 -13.802 -0.800 4.601 1.00 0.00 O ATOM 0 H GLY A 18 -15.525 -2.774 2.605 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -16.640 -2.217 5.137 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -15.316 -3.305 4.773 1.00 0.00 H new ATOM 39 N ASN A 19 -14.894 -1.053 6.559 1.00 0.00 N ATOM 40 CA ASN A 19 -14.018 -0.148 7.296 1.00 0.00 C ATOM 41 C ASN A 19 -12.581 -0.629 7.228 1.00 0.00 C ATOM 42 O ASN A 19 -12.275 -1.791 7.493 1.00 0.00 O ATOM 43 CB ASN A 19 -14.446 -0.022 8.760 1.00 0.00 C ATOM 44 CG ASN A 19 -15.857 0.513 8.934 1.00 0.00 C ATOM 45 OD1 ASN A 19 -16.300 1.360 8.018 1.00 0.00 O flip ATOM 46 ND2 ASN A 19 -16.543 0.168 9.895 1.00 0.00 N flip ATOM 0 H ASN A 19 -15.648 -1.454 7.116 1.00 0.00 H new ATOM 0 HA ASN A 19 -14.095 0.834 6.829 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -14.375 -1.000 9.237 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -13.749 0.637 9.279 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -16.167 -0.487 10.581 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -17.487 0.537 10.006 1.00 0.00 H new ATOM 53 N PRO A 20 -11.692 0.297 6.887 1.00 0.00 N ATOM 54 CA PRO A 20 -10.274 0.020 6.659 1.00 0.00 C ATOM 55 C PRO A 20 -9.564 -0.425 7.930 1.00 0.00 C ATOM 56 O PRO A 20 -8.526 -1.080 7.881 1.00 0.00 O ATOM 57 CB PRO A 20 -9.723 1.364 6.168 1.00 0.00 C ATOM 58 CG PRO A 20 -10.696 2.387 6.648 1.00 0.00 C ATOM 59 CD PRO A 20 -12.025 1.713 6.705 1.00 0.00 C ATOM 0 HA PRO A 20 -10.122 -0.796 5.952 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -8.727 1.551 6.568 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -9.638 1.381 5.081 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -10.410 2.764 7.630 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.724 3.243 5.974 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -12.630 2.091 7.529 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -12.595 1.875 5.790 1.00 0.00 H new ATOM 67 N GLU A 21 -10.153 -0.086 9.064 1.00 0.00 N ATOM 68 CA GLU A 21 -9.577 -0.412 10.357 1.00 0.00 C ATOM 69 C GLU A 21 -10.000 -1.805 10.783 1.00 0.00 C ATOM 70 O GLU A 21 -9.406 -2.407 11.673 1.00 0.00 O ATOM 71 CB GLU A 21 -10.025 0.610 11.393 1.00 0.00 C ATOM 72 CG GLU A 21 -10.113 2.011 10.828 1.00 0.00 C ATOM 73 CD GLU A 21 -10.417 3.052 11.882 1.00 0.00 C ATOM 74 OE1 GLU A 21 -11.600 3.197 12.255 1.00 0.00 O ATOM 75 OE2 GLU A 21 -9.474 3.725 12.345 1.00 0.00 O ATOM 0 H GLU A 21 -11.038 0.419 9.115 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.490 -0.387 10.277 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.999 0.319 11.787 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.327 0.603 12.230 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.171 2.260 10.339 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.887 2.040 10.061 1.00 0.00 H new ATOM 82 N ASP A 22 -11.035 -2.307 10.132 1.00 0.00 N ATOM 83 CA ASP A 22 -11.571 -3.627 10.453 1.00 0.00 C ATOM 84 C ASP A 22 -10.796 -4.724 9.720 1.00 0.00 C ATOM 85 O ASP A 22 -10.987 -5.915 9.975 1.00 0.00 O ATOM 86 CB ASP A 22 -13.059 -3.695 10.103 1.00 0.00 C ATOM 87 CG ASP A 22 -13.750 -4.886 10.735 1.00 0.00 C ATOM 88 OD1 ASP A 22 -13.933 -4.882 11.970 1.00 0.00 O ATOM 89 OD2 ASP A 22 -14.133 -5.819 10.002 1.00 0.00 O ATOM 0 H ASP A 22 -11.524 -1.824 9.378 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.457 -3.792 11.524 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -13.549 -2.778 10.432 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -13.172 -3.746 9.020 1.00 0.00 H new ATOM 94 N PHE A 23 -9.915 -4.309 8.817 1.00 0.00 N ATOM 95 CA PHE A 23 -9.061 -5.235 8.084 1.00 0.00 C ATOM 96 C PHE A 23 -7.984 -5.811 8.991 1.00 0.00 C ATOM 97 O PHE A 23 -7.695 -5.268 10.060 1.00 0.00 O ATOM 98 CB PHE A 23 -8.380 -4.529 6.904 1.00 0.00 C ATOM 99 CG PHE A 23 -9.255 -4.317 5.701 1.00 0.00 C ATOM 100 CD1 PHE A 23 -10.236 -3.341 5.696 1.00 0.00 C ATOM 101 CD2 PHE A 23 -9.078 -5.089 4.564 1.00 0.00 C ATOM 102 CE1 PHE A 23 -11.026 -3.138 4.581 1.00 0.00 C ATOM 103 CE2 PHE A 23 -9.866 -4.893 3.447 1.00 0.00 C ATOM 104 CZ PHE A 23 -10.840 -3.916 3.455 1.00 0.00 C ATOM 0 H PHE A 23 -9.773 -3.329 8.574 1.00 0.00 H new ATOM 0 HA PHE A 23 -9.696 -6.040 7.713 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -8.012 -3.560 7.243 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -7.510 -5.113 6.604 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -10.386 -2.731 6.574 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -8.315 -5.853 4.551 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -11.788 -2.372 4.590 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -9.720 -5.504 2.568 1.00 0.00 H new ATOM 0 HZ PHE A 23 -11.456 -3.760 2.582 1.00 0.00 H new ATOM 114 N LYS A 24 -7.378 -6.899 8.548 1.00 0.00 N ATOM 115 CA LYS A 24 -6.250 -7.488 9.250 1.00 0.00 C ATOM 116 C LYS A 24 -5.006 -6.692 8.914 1.00 0.00 C ATOM 117 O LYS A 24 -4.093 -6.543 9.729 1.00 0.00 O ATOM 118 CB LYS A 24 -6.045 -8.942 8.829 1.00 0.00 C ATOM 119 CG LYS A 24 -4.964 -9.661 9.619 1.00 0.00 C ATOM 120 CD LYS A 24 -5.481 -10.202 10.940 1.00 0.00 C ATOM 121 CE LYS A 24 -6.496 -11.314 10.721 1.00 0.00 C ATOM 122 NZ LYS A 24 -5.916 -12.474 9.997 1.00 0.00 N ATOM 0 H LYS A 24 -7.650 -7.395 7.700 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.446 -7.465 10.322 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.986 -9.480 8.945 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.789 -8.972 7.770 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.567 -10.482 9.023 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.138 -8.975 9.808 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.647 -10.579 11.533 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.940 -9.395 11.512 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.881 -11.646 11.685 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.343 -10.923 10.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.532 -13.303 10.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.838 -12.248 8.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.972 -12.685 10.379 1.00 0.00 H new ATOM 136 N VAL A 25 -4.994 -6.166 7.696 1.00 0.00 N ATOM 137 CA VAL A 25 -3.874 -5.395 7.203 1.00 0.00 C ATOM 138 C VAL A 25 -3.786 -4.054 7.913 1.00 0.00 C ATOM 139 O VAL A 25 -2.767 -3.385 7.844 1.00 0.00 O ATOM 140 CB VAL A 25 -3.974 -5.159 5.680 1.00 0.00 C ATOM 141 CG1 VAL A 25 -4.564 -6.370 4.990 1.00 0.00 C ATOM 142 CG2 VAL A 25 -4.784 -3.913 5.358 1.00 0.00 C ATOM 0 H VAL A 25 -5.760 -6.264 7.029 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.973 -5.974 7.408 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.963 -5.002 5.305 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.626 -6.184 3.918 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.929 -7.237 5.171 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.562 -6.562 5.383 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.832 -3.780 4.277 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.793 -4.022 5.756 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.308 -3.043 5.810 1.00 0.00 H new ATOM 152 N PHE A 26 -4.855 -3.674 8.600 1.00 0.00 N ATOM 153 CA PHE A 26 -4.901 -2.394 9.285 1.00 0.00 C ATOM 154 C PHE A 26 -3.743 -2.271 10.271 1.00 0.00 C ATOM 155 O PHE A 26 -2.951 -1.336 10.194 1.00 0.00 O ATOM 156 CB PHE A 26 -6.235 -2.225 10.008 1.00 0.00 C ATOM 157 CG PHE A 26 -6.334 -0.948 10.787 1.00 0.00 C ATOM 158 CD1 PHE A 26 -6.283 0.277 10.143 1.00 0.00 C ATOM 159 CD2 PHE A 26 -6.477 -0.972 12.164 1.00 0.00 C ATOM 160 CE1 PHE A 26 -6.375 1.453 10.857 1.00 0.00 C ATOM 161 CE2 PHE A 26 -6.570 0.201 12.883 1.00 0.00 C ATOM 162 CZ PHE A 26 -6.519 1.414 12.230 1.00 0.00 C ATOM 0 H PHE A 26 -5.701 -4.236 8.696 1.00 0.00 H new ATOM 0 HA PHE A 26 -4.806 -1.603 8.542 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -7.043 -2.259 9.277 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -6.382 -3.067 10.685 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.170 0.312 9.069 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.516 -1.920 12.681 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -6.335 2.402 10.344 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -6.683 0.169 13.957 1.00 0.00 H new ATOM 0 HZ PHE A 26 -6.592 2.333 12.792 1.00 0.00 H new ATOM 172 N LYS A 27 -3.630 -3.235 11.177 1.00 0.00 N ATOM 173 CA LYS A 27 -2.555 -3.251 12.146 1.00 0.00 C ATOM 174 C LYS A 27 -1.217 -3.496 11.457 1.00 0.00 C ATOM 175 O LYS A 27 -0.216 -2.862 11.784 1.00 0.00 O ATOM 176 CB LYS A 27 -2.846 -4.335 13.185 1.00 0.00 C ATOM 177 CG LYS A 27 -1.620 -4.884 13.887 1.00 0.00 C ATOM 178 CD LYS A 27 -1.426 -4.299 15.283 1.00 0.00 C ATOM 179 CE LYS A 27 -1.163 -2.802 15.247 1.00 0.00 C ATOM 180 NZ LYS A 27 -1.056 -2.217 16.612 1.00 0.00 N ATOM 0 H LYS A 27 -4.278 -4.019 11.256 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.492 -2.284 12.644 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.525 -3.928 13.934 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.367 -5.158 12.696 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.704 -5.968 13.961 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.737 -4.673 13.284 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.314 -4.496 15.884 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.592 -4.801 15.773 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.241 -2.610 14.698 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.967 -2.306 14.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.877 -1.195 16.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.944 -2.376 17.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.272 -2.670 17.123 1.00 0.00 H new ATOM 194 N TYR A 28 -1.214 -4.401 10.485 1.00 0.00 N ATOM 195 CA TYR A 28 0.007 -4.747 9.764 1.00 0.00 C ATOM 196 C TYR A 28 0.591 -3.543 9.027 1.00 0.00 C ATOM 197 O TYR A 28 1.791 -3.298 9.082 1.00 0.00 O ATOM 198 CB TYR A 28 -0.255 -5.878 8.773 1.00 0.00 C ATOM 199 CG TYR A 28 -0.100 -7.267 9.352 1.00 0.00 C ATOM 200 CD1 TYR A 28 1.162 -7.813 9.542 1.00 0.00 C ATOM 201 CD2 TYR A 28 -1.205 -8.035 9.693 1.00 0.00 C ATOM 202 CE1 TYR A 28 1.322 -9.083 10.057 1.00 0.00 C ATOM 203 CE2 TYR A 28 -1.054 -9.310 10.208 1.00 0.00 C ATOM 204 CZ TYR A 28 0.212 -9.828 10.388 1.00 0.00 C ATOM 205 OH TYR A 28 0.370 -11.098 10.898 1.00 0.00 O ATOM 0 H TYR A 28 -2.043 -4.909 10.177 1.00 0.00 H new ATOM 0 HA TYR A 28 0.735 -5.077 10.505 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.266 -5.773 8.380 1.00 0.00 H new ATOM 0 HB3 TYR A 28 0.428 -5.771 7.930 1.00 0.00 H new ATOM 0 HD1 TYR A 28 2.035 -7.233 9.282 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -2.197 -7.631 9.554 1.00 0.00 H new ATOM 0 HE1 TYR A 28 2.312 -9.490 10.200 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -1.923 -9.897 10.468 1.00 0.00 H new ATOM 0 HH TYR A 28 -0.510 -11.489 11.081 1.00 0.00 H new ATOM 215 N MET A 29 -0.254 -2.798 8.333 1.00 0.00 N ATOM 216 CA MET A 29 0.203 -1.628 7.598 1.00 0.00 C ATOM 217 C MET A 29 0.489 -0.467 8.543 1.00 0.00 C ATOM 218 O MET A 29 1.313 0.398 8.244 1.00 0.00 O ATOM 219 CB MET A 29 -0.814 -1.216 6.533 1.00 0.00 C ATOM 220 CG MET A 29 -1.087 -2.309 5.511 1.00 0.00 C ATOM 221 SD MET A 29 -2.007 -1.715 4.083 1.00 0.00 S ATOM 222 CE MET A 29 -0.847 -0.521 3.432 1.00 0.00 C ATOM 0 H MET A 29 -1.255 -2.980 8.263 1.00 0.00 H new ATOM 0 HA MET A 29 1.132 -1.895 7.095 1.00 0.00 H new ATOM 0 HB2 MET A 29 -1.750 -0.941 7.020 1.00 0.00 H new ATOM 0 HB3 MET A 29 -0.450 -0.327 6.017 1.00 0.00 H new ATOM 0 HG2 MET A 29 -0.140 -2.732 5.177 1.00 0.00 H new ATOM 0 HG3 MET A 29 -1.645 -3.115 5.988 1.00 0.00 H new ATOM 0 HE1 MET A 29 -1.142 -0.241 2.421 1.00 0.00 H new ATOM 0 HE2 MET A 29 -0.842 0.365 4.067 1.00 0.00 H new ATOM 0 HE3 MET A 29 0.151 -0.958 3.411 1.00 0.00 H new ATOM 232 N LYS A 30 -0.181 -0.452 9.688 1.00 0.00 N ATOM 233 CA LYS A 30 0.095 0.551 10.707 1.00 0.00 C ATOM 234 C LYS A 30 1.478 0.343 11.305 1.00 0.00 C ATOM 235 O LYS A 30 2.208 1.306 11.549 1.00 0.00 O ATOM 236 CB LYS A 30 -0.970 0.535 11.805 1.00 0.00 C ATOM 237 CG LYS A 30 -2.194 1.368 11.463 1.00 0.00 C ATOM 238 CD LYS A 30 -1.843 2.828 11.273 1.00 0.00 C ATOM 239 CE LYS A 30 -3.053 3.609 10.818 1.00 0.00 C ATOM 240 NZ LYS A 30 -4.120 3.657 11.854 1.00 0.00 N ATOM 0 H LYS A 30 -0.914 -1.118 9.933 1.00 0.00 H new ATOM 0 HA LYS A 30 0.067 1.529 10.226 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.278 -0.494 11.988 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.533 0.907 12.732 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.653 0.983 10.553 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.933 1.272 12.258 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -1.466 3.242 12.208 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -1.044 2.923 10.538 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -2.752 4.625 10.564 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -3.452 3.158 9.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -4.568 4.595 11.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -4.835 2.930 11.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -3.703 3.479 12.790 1.00 0.00 H new ATOM 254 N ILE A 31 1.848 -0.912 11.529 1.00 0.00 N ATOM 255 CA ILE A 31 3.175 -1.215 12.040 1.00 0.00 C ATOM 256 C ILE A 31 4.196 -1.166 10.911 1.00 0.00 C ATOM 257 O ILE A 31 5.376 -0.964 11.153 1.00 0.00 O ATOM 258 CB ILE A 31 3.238 -2.580 12.766 1.00 0.00 C ATOM 259 CG1 ILE A 31 3.036 -3.742 11.792 1.00 0.00 C ATOM 260 CG2 ILE A 31 2.200 -2.624 13.876 1.00 0.00 C ATOM 261 CD1 ILE A 31 2.901 -5.088 12.471 1.00 0.00 C ATOM 0 H ILE A 31 1.255 -1.726 11.367 1.00 0.00 H new ATOM 0 HA ILE A 31 3.415 -0.452 12.781 1.00 0.00 H new ATOM 0 HB ILE A 31 4.231 -2.689 13.202 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.143 -3.554 11.196 1.00 0.00 H new ATOM 0 HG13 ILE A 31 3.878 -3.776 11.101 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.250 -3.588 14.383 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.399 -1.827 14.592 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.206 -2.489 13.450 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.761 -5.863 11.718 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.804 -5.299 13.044 1.00 0.00 H new ATOM 0 HD13 ILE A 31 2.041 -5.073 13.141 1.00 0.00 H new ATOM 273 N LEU A 32 3.727 -1.343 9.676 1.00 0.00 N ATOM 274 CA LEU A 32 4.562 -1.158 8.489 1.00 0.00 C ATOM 275 C LEU A 32 5.124 0.257 8.504 1.00 0.00 C ATOM 276 O LEU A 32 6.338 0.459 8.425 1.00 0.00 O ATOM 277 CB LEU A 32 3.716 -1.392 7.224 1.00 0.00 C ATOM 278 CG LEU A 32 4.465 -1.507 5.883 1.00 0.00 C ATOM 279 CD1 LEU A 32 3.512 -1.987 4.803 1.00 0.00 C ATOM 280 CD2 LEU A 32 5.077 -0.177 5.460 1.00 0.00 C ATOM 0 H LEU A 32 2.766 -1.616 9.471 1.00 0.00 H new ATOM 0 HA LEU A 32 5.386 -1.872 8.489 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.140 -2.306 7.368 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.000 -0.574 7.141 1.00 0.00 H new ATOM 0 HG LEU A 32 5.275 -2.224 6.017 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.046 -2.067 3.856 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.112 -2.963 5.078 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.693 -1.276 4.699 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.596 -0.301 4.510 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.288 0.567 5.348 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.785 0.156 6.219 1.00 0.00 H new ATOM 292 N GLU A 33 4.209 1.220 8.616 1.00 0.00 N ATOM 293 CA GLU A 33 4.535 2.635 8.700 1.00 0.00 C ATOM 294 C GLU A 33 5.696 2.890 9.652 1.00 0.00 C ATOM 295 O GLU A 33 6.646 3.605 9.327 1.00 0.00 O ATOM 296 CB GLU A 33 3.307 3.377 9.202 1.00 0.00 C ATOM 297 CG GLU A 33 3.186 4.783 8.673 1.00 0.00 C ATOM 298 CD GLU A 33 1.973 5.498 9.219 1.00 0.00 C ATOM 299 OE1 GLU A 33 1.876 5.655 10.455 1.00 0.00 O ATOM 300 OE2 GLU A 33 1.104 5.903 8.420 1.00 0.00 O ATOM 0 H GLU A 33 3.207 1.031 8.651 1.00 0.00 H new ATOM 0 HA GLU A 33 4.832 2.984 7.711 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.416 2.816 8.922 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.334 3.410 10.291 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.083 5.345 8.932 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.130 4.756 7.585 1.00 0.00 H new ATOM 307 N GLU A 34 5.599 2.302 10.829 1.00 0.00 N ATOM 308 CA GLU A 34 6.620 2.458 11.847 1.00 0.00 C ATOM 309 C GLU A 34 7.862 1.632 11.525 1.00 0.00 C ATOM 310 O GLU A 34 8.935 2.181 11.308 1.00 0.00 O ATOM 311 CB GLU A 34 6.059 2.050 13.211 1.00 0.00 C ATOM 312 CG GLU A 34 7.117 1.951 14.296 1.00 0.00 C ATOM 313 CD GLU A 34 6.528 1.652 15.655 1.00 0.00 C ATOM 314 OE1 GLU A 34 6.087 2.602 16.335 1.00 0.00 O ATOM 315 OE2 GLU A 34 6.501 0.471 16.049 1.00 0.00 O ATOM 0 H GLU A 34 4.817 1.708 11.105 1.00 0.00 H new ATOM 0 HA GLU A 34 6.914 3.507 11.872 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.304 2.775 13.516 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.557 1.087 13.115 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.830 1.170 14.033 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.673 2.887 14.343 1.00 0.00 H new ATOM 322 N ALA A 35 7.679 0.321 11.448 1.00 0.00 N ATOM 323 CA ALA A 35 8.775 -0.647 11.427 1.00 0.00 C ATOM 324 C ALA A 35 9.781 -0.393 10.309 1.00 0.00 C ATOM 325 O ALA A 35 10.978 -0.621 10.489 1.00 0.00 O ATOM 326 CB ALA A 35 8.208 -2.053 11.325 1.00 0.00 C ATOM 0 H ALA A 35 6.755 -0.109 11.398 1.00 0.00 H new ATOM 0 HA ALA A 35 9.325 -0.532 12.361 1.00 0.00 H new ATOM 0 HB1 ALA A 35 9.025 -2.774 11.309 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.566 -2.250 12.184 1.00 0.00 H new ATOM 0 HB3 ALA A 35 7.625 -2.145 10.408 1.00 0.00 H new ATOM 332 N MET A 36 9.303 0.079 9.163 1.00 0.00 N ATOM 333 CA MET A 36 10.180 0.363 8.035 1.00 0.00 C ATOM 334 C MET A 36 11.211 1.431 8.387 1.00 0.00 C ATOM 335 O MET A 36 12.387 1.311 8.035 1.00 0.00 O ATOM 336 CB MET A 36 9.350 0.800 6.831 1.00 0.00 C ATOM 337 CG MET A 36 8.488 -0.312 6.269 1.00 0.00 C ATOM 338 SD MET A 36 9.449 -1.628 5.489 1.00 0.00 S ATOM 339 CE MET A 36 10.196 -0.749 4.117 1.00 0.00 C ATOM 0 H MET A 36 8.316 0.272 8.992 1.00 0.00 H new ATOM 0 HA MET A 36 10.722 -0.549 7.786 1.00 0.00 H new ATOM 0 HB2 MET A 36 8.712 1.635 7.121 1.00 0.00 H new ATOM 0 HB3 MET A 36 10.017 1.164 6.050 1.00 0.00 H new ATOM 0 HG2 MET A 36 7.885 -0.737 7.071 1.00 0.00 H new ATOM 0 HG3 MET A 36 7.796 0.107 5.538 1.00 0.00 H new ATOM 0 HE1 MET A 36 10.548 -1.465 3.374 1.00 0.00 H new ATOM 0 HE2 MET A 36 9.458 -0.088 3.663 1.00 0.00 H new ATOM 0 HE3 MET A 36 11.038 -0.158 4.478 1.00 0.00 H new ATOM 349 N GLU A 37 10.774 2.481 9.072 1.00 0.00 N ATOM 350 CA GLU A 37 11.690 3.549 9.465 1.00 0.00 C ATOM 351 C GLU A 37 12.267 3.291 10.859 1.00 0.00 C ATOM 352 O GLU A 37 13.367 3.740 11.187 1.00 0.00 O ATOM 353 CB GLU A 37 10.993 4.910 9.432 1.00 0.00 C ATOM 354 CG GLU A 37 11.967 6.078 9.403 1.00 0.00 C ATOM 355 CD GLU A 37 11.305 7.406 9.711 1.00 0.00 C ATOM 356 OE1 GLU A 37 10.646 7.973 8.818 1.00 0.00 O ATOM 357 OE2 GLU A 37 11.450 7.899 10.852 1.00 0.00 O ATOM 0 H GLU A 37 9.806 2.617 9.364 1.00 0.00 H new ATOM 0 HA GLU A 37 12.509 3.560 8.746 1.00 0.00 H new ATOM 0 HB2 GLU A 37 10.348 4.960 8.555 1.00 0.00 H new ATOM 0 HB3 GLU A 37 10.349 5.003 10.306 1.00 0.00 H new ATOM 0 HG2 GLU A 37 12.763 5.899 10.125 1.00 0.00 H new ATOM 0 HG3 GLU A 37 12.435 6.130 8.420 1.00 0.00 H new ATOM 364 N ASN A 38 11.508 2.563 11.673 1.00 0.00 N ATOM 365 CA ASN A 38 11.892 2.268 13.053 1.00 0.00 C ATOM 366 C ASN A 38 13.115 1.363 13.091 1.00 0.00 C ATOM 367 O ASN A 38 13.888 1.384 14.051 1.00 0.00 O ATOM 368 CB ASN A 38 10.722 1.618 13.802 1.00 0.00 C ATOM 369 CG ASN A 38 11.014 1.376 15.273 1.00 0.00 C ATOM 370 OD1 ASN A 38 10.825 2.259 16.109 1.00 0.00 O ATOM 371 ND2 ASN A 38 11.443 0.170 15.604 1.00 0.00 N ATOM 0 H ASN A 38 10.612 2.161 11.397 1.00 0.00 H new ATOM 0 HA ASN A 38 12.147 3.206 13.547 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.843 2.256 13.713 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.477 0.669 13.326 1.00 0.00 H new ATOM 0 HD21 ASN A 38 11.629 -0.055 16.581 1.00 0.00 H new ATOM 0 HD22 ASN A 38 11.588 -0.536 14.882 1.00 0.00 H new ATOM 378 N ASP A 39 13.284 0.565 12.045 1.00 0.00 N ATOM 379 CA ASP A 39 14.479 -0.245 11.891 1.00 0.00 C ATOM 380 C ASP A 39 15.692 0.668 11.826 1.00 0.00 C ATOM 381 O ASP A 39 15.649 1.730 11.203 1.00 0.00 O ATOM 382 CB ASP A 39 14.391 -1.097 10.621 1.00 0.00 C ATOM 383 CG ASP A 39 15.570 -2.041 10.472 1.00 0.00 C ATOM 384 OD1 ASP A 39 16.650 -1.586 10.044 1.00 0.00 O ATOM 385 OD2 ASP A 39 15.422 -3.243 10.790 1.00 0.00 O ATOM 0 H ASP A 39 12.605 0.463 11.290 1.00 0.00 H new ATOM 0 HA ASP A 39 14.571 -0.917 12.745 1.00 0.00 H new ATOM 0 HB2 ASP A 39 13.467 -1.675 10.638 1.00 0.00 H new ATOM 0 HB3 ASP A 39 14.341 -0.442 9.751 1.00 0.00 H new ATOM 390 N THR A 40 16.765 0.246 12.475 1.00 0.00 N ATOM 391 CA THR A 40 17.970 1.058 12.619 1.00 0.00 C ATOM 392 C THR A 40 18.626 1.389 11.279 1.00 0.00 C ATOM 393 O THR A 40 19.497 2.259 11.202 1.00 0.00 O ATOM 394 CB THR A 40 18.985 0.347 13.529 1.00 0.00 C ATOM 395 OG1 THR A 40 18.975 -1.066 13.262 1.00 0.00 O ATOM 396 CG2 THR A 40 18.658 0.599 14.992 1.00 0.00 C ATOM 0 H THR A 40 16.829 -0.670 12.919 1.00 0.00 H new ATOM 0 HA THR A 40 17.659 2.001 13.070 1.00 0.00 H new ATOM 0 HB THR A 40 19.978 0.746 13.321 1.00 0.00 H new ATOM 0 HG1 THR A 40 19.625 -1.513 13.843 1.00 0.00 H new ATOM 0 HG21 THR A 40 19.387 0.088 15.621 1.00 0.00 H new ATOM 0 HG22 THR A 40 18.692 1.670 15.193 1.00 0.00 H new ATOM 0 HG23 THR A 40 17.660 0.220 15.212 1.00 0.00 H new ATOM 404 N GLU A 41 18.216 0.691 10.232 1.00 0.00 N ATOM 405 CA GLU A 41 18.726 0.950 8.897 1.00 0.00 C ATOM 406 C GLU A 41 17.794 1.852 8.098 1.00 0.00 C ATOM 407 O GLU A 41 18.184 2.317 7.026 1.00 0.00 O ATOM 408 CB GLU A 41 18.942 -0.350 8.155 1.00 0.00 C ATOM 409 CG GLU A 41 20.350 -0.874 8.317 1.00 0.00 C ATOM 410 CD GLU A 41 21.387 0.109 7.821 1.00 0.00 C ATOM 411 OE1 GLU A 41 21.474 0.318 6.593 1.00 0.00 O ATOM 412 OE2 GLU A 41 22.114 0.691 8.654 1.00 0.00 O ATOM 0 H GLU A 41 17.529 -0.061 10.282 1.00 0.00 H new ATOM 0 HA GLU A 41 19.679 1.468 9.008 1.00 0.00 H new ATOM 0 HB2 GLU A 41 18.235 -1.096 8.519 1.00 0.00 H new ATOM 0 HB3 GLU A 41 18.731 -0.201 7.096 1.00 0.00 H new ATOM 0 HG2 GLU A 41 20.535 -1.095 9.368 1.00 0.00 H new ATOM 0 HG3 GLU A 41 20.451 -1.812 7.772 1.00 0.00 H new ATOM 419 N ASN A 42 16.585 2.111 8.636 1.00 0.00 N ATOM 420 CA ASN A 42 15.575 2.952 7.982 1.00 0.00 C ATOM 421 C ASN A 42 15.616 2.762 6.475 1.00 0.00 C ATOM 422 O ASN A 42 15.955 3.668 5.708 1.00 0.00 O ATOM 423 CB ASN A 42 15.707 4.435 8.389 1.00 0.00 C ATOM 424 CG ASN A 42 17.119 4.991 8.275 1.00 0.00 C ATOM 425 OD1 ASN A 42 17.536 5.476 7.223 1.00 0.00 O ATOM 426 ND2 ASN A 42 17.858 4.947 9.376 1.00 0.00 N ATOM 0 H ASN A 42 16.286 1.740 9.538 1.00 0.00 H new ATOM 0 HA ASN A 42 14.593 2.630 8.329 1.00 0.00 H new ATOM 0 HB2 ASN A 42 15.042 5.032 7.764 1.00 0.00 H new ATOM 0 HB3 ASN A 42 15.366 4.549 9.418 1.00 0.00 H new ATOM 0 HD21 ASN A 42 18.806 5.323 9.369 1.00 0.00 H new ATOM 0 HD22 ASN A 42 17.478 4.537 10.229 1.00 0.00 H new ATOM 433 N LEU A 43 15.254 1.548 6.076 1.00 0.00 N ATOM 434 CA LEU A 43 15.401 1.083 4.704 1.00 0.00 C ATOM 435 C LEU A 43 14.561 1.899 3.732 1.00 0.00 C ATOM 436 O LEU A 43 14.744 1.809 2.519 1.00 0.00 O ATOM 437 CB LEU A 43 14.990 -0.387 4.621 1.00 0.00 C ATOM 438 CG LEU A 43 15.749 -1.335 5.551 1.00 0.00 C ATOM 439 CD1 LEU A 43 15.119 -2.719 5.528 1.00 0.00 C ATOM 440 CD2 LEU A 43 17.214 -1.413 5.151 1.00 0.00 C ATOM 0 H LEU A 43 14.847 0.854 6.702 1.00 0.00 H new ATOM 0 HA LEU A 43 16.447 1.203 4.421 1.00 0.00 H new ATOM 0 HB2 LEU A 43 13.926 -0.462 4.844 1.00 0.00 H new ATOM 0 HB3 LEU A 43 15.126 -0.727 3.594 1.00 0.00 H new ATOM 0 HG LEU A 43 15.688 -0.944 6.566 1.00 0.00 H new ATOM 0 HD11 LEU A 43 15.671 -3.381 6.195 1.00 0.00 H new ATOM 0 HD12 LEU A 43 14.083 -2.653 5.859 1.00 0.00 H new ATOM 0 HD13 LEU A 43 15.151 -3.117 4.514 1.00 0.00 H new ATOM 0 HD21 LEU A 43 17.739 -2.092 5.823 1.00 0.00 H new ATOM 0 HD22 LEU A 43 17.293 -1.782 4.128 1.00 0.00 H new ATOM 0 HD23 LEU A 43 17.662 -0.421 5.214 1.00 0.00 H new ATOM 452 N ILE A 44 13.661 2.711 4.267 1.00 0.00 N ATOM 453 CA ILE A 44 12.733 3.469 3.435 1.00 0.00 C ATOM 454 C ILE A 44 13.480 4.485 2.564 1.00 0.00 C ATOM 455 O ILE A 44 13.046 4.810 1.461 1.00 0.00 O ATOM 456 CB ILE A 44 11.661 4.197 4.285 1.00 0.00 C ATOM 457 CG1 ILE A 44 10.367 4.324 3.486 1.00 0.00 C ATOM 458 CG2 ILE A 44 12.138 5.575 4.733 1.00 0.00 C ATOM 459 CD1 ILE A 44 9.529 3.065 3.483 1.00 0.00 C ATOM 0 H ILE A 44 13.552 2.863 5.270 1.00 0.00 H new ATOM 0 HA ILE A 44 12.227 2.751 2.790 1.00 0.00 H new ATOM 0 HB ILE A 44 11.481 3.602 5.181 1.00 0.00 H new ATOM 0 HG12 ILE A 44 9.776 5.143 3.896 1.00 0.00 H new ATOM 0 HG13 ILE A 44 10.610 4.591 2.457 1.00 0.00 H new ATOM 0 HG21 ILE A 44 11.359 6.054 5.326 1.00 0.00 H new ATOM 0 HG22 ILE A 44 13.040 5.470 5.335 1.00 0.00 H new ATOM 0 HG23 ILE A 44 12.356 6.187 3.858 1.00 0.00 H new ATOM 0 HD11 ILE A 44 8.626 3.231 2.896 1.00 0.00 H new ATOM 0 HD12 ILE A 44 10.102 2.248 3.045 1.00 0.00 H new ATOM 0 HD13 ILE A 44 9.255 2.808 4.506 1.00 0.00 H new ATOM 471 N GLU A 45 14.619 4.956 3.059 1.00 0.00 N ATOM 472 CA GLU A 45 15.398 5.971 2.364 1.00 0.00 C ATOM 473 C GLU A 45 16.088 5.386 1.136 1.00 0.00 C ATOM 474 O GLU A 45 16.313 6.080 0.141 1.00 0.00 O ATOM 475 CB GLU A 45 16.428 6.574 3.317 1.00 0.00 C ATOM 476 CG GLU A 45 15.811 7.323 4.487 1.00 0.00 C ATOM 477 CD GLU A 45 15.107 8.591 4.059 1.00 0.00 C ATOM 478 OE1 GLU A 45 14.053 8.503 3.403 1.00 0.00 O ATOM 479 OE2 GLU A 45 15.610 9.693 4.373 1.00 0.00 O ATOM 0 H GLU A 45 15.024 4.649 3.943 1.00 0.00 H new ATOM 0 HA GLU A 45 14.721 6.755 2.025 1.00 0.00 H new ATOM 0 HB2 GLU A 45 17.064 5.777 3.702 1.00 0.00 H new ATOM 0 HB3 GLU A 45 17.071 7.255 2.760 1.00 0.00 H new ATOM 0 HG2 GLU A 45 15.101 6.672 4.997 1.00 0.00 H new ATOM 0 HG3 GLU A 45 16.591 7.570 5.207 1.00 0.00 H new ATOM 486 N LYS A 46 16.396 4.099 1.201 1.00 0.00 N ATOM 487 CA LYS A 46 17.084 3.416 0.112 1.00 0.00 C ATOM 488 C LYS A 46 16.133 3.155 -1.047 1.00 0.00 C ATOM 489 O LYS A 46 16.552 2.972 -2.189 1.00 0.00 O ATOM 490 CB LYS A 46 17.668 2.097 0.608 1.00 0.00 C ATOM 491 CG LYS A 46 18.717 2.283 1.682 1.00 0.00 C ATOM 492 CD LYS A 46 19.059 0.970 2.368 1.00 0.00 C ATOM 493 CE LYS A 46 19.999 1.184 3.541 1.00 0.00 C ATOM 494 NZ LYS A 46 20.468 -0.100 4.122 1.00 0.00 N ATOM 0 H LYS A 46 16.180 3.503 2.000 1.00 0.00 H new ATOM 0 HA LYS A 46 17.892 4.058 -0.239 1.00 0.00 H new ATOM 0 HB2 LYS A 46 16.863 1.473 0.998 1.00 0.00 H new ATOM 0 HB3 LYS A 46 18.108 1.561 -0.233 1.00 0.00 H new ATOM 0 HG2 LYS A 46 19.618 2.708 1.241 1.00 0.00 H new ATOM 0 HG3 LYS A 46 18.357 2.997 2.422 1.00 0.00 H new ATOM 0 HD2 LYS A 46 18.144 0.491 2.716 1.00 0.00 H new ATOM 0 HD3 LYS A 46 19.520 0.292 1.650 1.00 0.00 H new ATOM 0 HE2 LYS A 46 20.859 1.769 3.214 1.00 0.00 H new ATOM 0 HE3 LYS A 46 19.491 1.766 4.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 20.654 0.026 5.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 19.737 -0.828 3.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 21.343 -0.398 3.645 1.00 0.00 H new ATOM 508 N VAL A 47 14.846 3.155 -0.742 1.00 0.00 N ATOM 509 CA VAL A 47 13.827 2.788 -1.710 1.00 0.00 C ATOM 510 C VAL A 47 12.716 3.845 -1.755 1.00 0.00 C ATOM 511 O VAL A 47 11.547 3.536 -1.985 1.00 0.00 O ATOM 512 CB VAL A 47 13.258 1.385 -1.380 1.00 0.00 C ATOM 513 CG1 VAL A 47 12.571 1.377 -0.023 1.00 0.00 C ATOM 514 CG2 VAL A 47 12.327 0.884 -2.478 1.00 0.00 C ATOM 0 H VAL A 47 14.481 3.407 0.176 1.00 0.00 H new ATOM 0 HA VAL A 47 14.281 2.746 -2.700 1.00 0.00 H new ATOM 0 HB VAL A 47 14.099 0.694 -1.330 1.00 0.00 H new ATOM 0 HG11 VAL A 47 12.182 0.380 0.182 1.00 0.00 H new ATOM 0 HG12 VAL A 47 13.289 1.652 0.750 1.00 0.00 H new ATOM 0 HG13 VAL A 47 11.750 2.094 -0.027 1.00 0.00 H new ATOM 0 HG21 VAL A 47 11.948 -0.102 -2.211 1.00 0.00 H new ATOM 0 HG22 VAL A 47 11.492 1.576 -2.591 1.00 0.00 H new ATOM 0 HG23 VAL A 47 12.875 0.820 -3.418 1.00 0.00 H new ATOM 524 N ARG A 48 13.096 5.099 -1.512 1.00 0.00 N ATOM 525 CA ARG A 48 12.145 6.210 -1.542 1.00 0.00 C ATOM 526 C ARG A 48 11.229 6.127 -2.753 1.00 0.00 C ATOM 527 O ARG A 48 11.674 6.207 -3.898 1.00 0.00 O ATOM 528 CB ARG A 48 12.862 7.557 -1.534 1.00 0.00 C ATOM 529 CG ARG A 48 13.307 7.997 -0.155 1.00 0.00 C ATOM 530 CD ARG A 48 13.751 9.452 -0.170 1.00 0.00 C ATOM 531 NE ARG A 48 14.110 9.940 1.160 1.00 0.00 N ATOM 532 CZ ARG A 48 14.392 11.212 1.433 1.00 0.00 C ATOM 533 NH1 ARG A 48 14.346 12.129 0.477 1.00 0.00 N ATOM 534 NH2 ARG A 48 14.728 11.562 2.665 1.00 0.00 N ATOM 0 H ARG A 48 14.054 5.371 -1.292 1.00 0.00 H new ATOM 0 HA ARG A 48 11.539 6.130 -0.640 1.00 0.00 H new ATOM 0 HB2 ARG A 48 13.733 7.500 -2.187 1.00 0.00 H new ATOM 0 HB3 ARG A 48 12.199 8.315 -1.952 1.00 0.00 H new ATOM 0 HG2 ARG A 48 12.489 7.869 0.554 1.00 0.00 H new ATOM 0 HG3 ARG A 48 14.127 7.365 0.186 1.00 0.00 H new ATOM 0 HD2 ARG A 48 14.606 9.561 -0.837 1.00 0.00 H new ATOM 0 HD3 ARG A 48 12.950 10.069 -0.576 1.00 0.00 H new ATOM 0 HE ARG A 48 14.147 9.266 1.925 1.00 0.00 H new ATOM 0 HH11 ARG A 48 14.093 11.862 -0.474 1.00 0.00 H new ATOM 0 HH12 ARG A 48 14.563 13.102 0.693 1.00 0.00 H new ATOM 0 HH21 ARG A 48 14.770 10.858 3.402 1.00 0.00 H new ATOM 0 HH22 ARG A 48 14.945 12.536 2.877 1.00 0.00 H new ATOM 548 N GLY A 49 9.953 5.958 -2.472 1.00 0.00 N ATOM 549 CA GLY A 49 8.960 5.779 -3.508 1.00 0.00 C ATOM 550 C GLY A 49 7.581 5.604 -2.909 1.00 0.00 C ATOM 551 O GLY A 49 7.456 5.357 -1.713 1.00 0.00 O ATOM 0 H GLY A 49 9.578 5.941 -1.524 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.965 6.641 -4.175 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.212 4.907 -4.112 1.00 0.00 H new ATOM 555 N ILE A 50 6.546 5.748 -3.713 1.00 0.00 N ATOM 556 CA ILE A 50 5.187 5.595 -3.220 1.00 0.00 C ATOM 557 C ILE A 50 4.668 4.194 -3.502 1.00 0.00 C ATOM 558 O ILE A 50 4.717 3.718 -4.636 1.00 0.00 O ATOM 559 CB ILE A 50 4.238 6.635 -3.846 1.00 0.00 C ATOM 560 CG1 ILE A 50 4.755 8.042 -3.551 1.00 0.00 C ATOM 561 CG2 ILE A 50 2.820 6.456 -3.321 1.00 0.00 C ATOM 562 CD1 ILE A 50 3.866 9.146 -4.071 1.00 0.00 C ATOM 0 H ILE A 50 6.617 5.970 -4.706 1.00 0.00 H new ATOM 0 HA ILE A 50 5.213 5.758 -2.143 1.00 0.00 H new ATOM 0 HB ILE A 50 4.212 6.488 -4.926 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.867 8.158 -2.473 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.747 8.152 -3.989 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.167 7.201 -3.776 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.462 5.457 -3.572 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.814 6.582 -2.238 1.00 0.00 H new ATOM 0 HD11 ILE A 50 4.303 10.113 -3.821 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.773 9.059 -5.154 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.880 9.064 -3.614 1.00 0.00 H new ATOM 574 N TYR A 51 4.175 3.539 -2.465 1.00 0.00 N ATOM 575 CA TYR A 51 3.670 2.183 -2.591 1.00 0.00 C ATOM 576 C TYR A 51 2.155 2.187 -2.462 1.00 0.00 C ATOM 577 O TYR A 51 1.615 2.657 -1.463 1.00 0.00 O ATOM 578 CB TYR A 51 4.273 1.280 -1.512 1.00 0.00 C ATOM 579 CG TYR A 51 5.738 1.543 -1.236 1.00 0.00 C ATOM 580 CD1 TYR A 51 6.702 1.377 -2.222 1.00 0.00 C ATOM 581 CD2 TYR A 51 6.151 1.970 0.017 1.00 0.00 C ATOM 582 CE1 TYR A 51 8.035 1.630 -1.961 1.00 0.00 C ATOM 583 CE2 TYR A 51 7.476 2.225 0.283 1.00 0.00 C ATOM 584 CZ TYR A 51 8.413 2.055 -0.705 1.00 0.00 C ATOM 585 OH TYR A 51 9.733 2.307 -0.431 1.00 0.00 O ATOM 0 H TYR A 51 4.114 3.926 -1.523 1.00 0.00 H new ATOM 0 HA TYR A 51 3.954 1.796 -3.570 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.711 1.411 -0.587 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.152 0.240 -1.814 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.406 1.046 -3.206 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.418 2.105 0.799 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.776 1.496 -2.735 1.00 0.00 H new ATOM 0 HE2 TYR A 51 7.778 2.558 1.265 1.00 0.00 H new ATOM 0 HH TYR A 51 10.142 2.771 -1.191 1.00 0.00 H new ATOM 595 N GLY A 52 1.473 1.684 -3.470 1.00 0.00 N ATOM 596 CA GLY A 52 0.032 1.608 -3.411 1.00 0.00 C ATOM 597 C GLY A 52 -0.432 0.216 -3.056 1.00 0.00 C ATOM 598 O GLY A 52 -0.195 -0.730 -3.803 1.00 0.00 O ATOM 0 H GLY A 52 1.889 1.326 -4.330 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.341 2.317 -2.672 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.389 1.899 -4.373 1.00 0.00 H new ATOM 602 N PHE A 53 -1.068 0.075 -1.910 1.00 0.00 N ATOM 603 CA PHE A 53 -1.542 -1.230 -1.472 1.00 0.00 C ATOM 604 C PHE A 53 -3.034 -1.390 -1.709 1.00 0.00 C ATOM 605 O PHE A 53 -3.859 -0.785 -1.022 1.00 0.00 O ATOM 606 CB PHE A 53 -1.211 -1.463 0.000 1.00 0.00 C ATOM 607 CG PHE A 53 0.051 -2.249 0.216 1.00 0.00 C ATOM 608 CD1 PHE A 53 1.267 -1.792 -0.269 1.00 0.00 C ATOM 609 CD2 PHE A 53 0.019 -3.455 0.900 1.00 0.00 C ATOM 610 CE1 PHE A 53 2.425 -2.520 -0.073 1.00 0.00 C ATOM 611 CE2 PHE A 53 1.173 -4.187 1.099 1.00 0.00 C ATOM 612 CZ PHE A 53 2.379 -3.719 0.613 1.00 0.00 C ATOM 0 H PHE A 53 -1.269 0.840 -1.266 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.025 -1.981 -2.069 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.119 -0.499 0.500 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.041 -1.988 0.472 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.310 -0.856 -0.806 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.920 -3.826 1.282 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.366 -2.152 -0.456 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.133 -5.124 1.634 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.283 -4.289 0.769 1.00 0.00 H new ATOM 622 N LYS A 54 -3.363 -2.204 -2.697 1.00 0.00 N ATOM 623 CA LYS A 54 -4.741 -2.531 -3.009 1.00 0.00 C ATOM 624 C LYS A 54 -5.106 -3.863 -2.368 1.00 0.00 C ATOM 625 O LYS A 54 -4.784 -4.927 -2.899 1.00 0.00 O ATOM 626 CB LYS A 54 -4.934 -2.607 -4.524 1.00 0.00 C ATOM 627 CG LYS A 54 -4.864 -1.263 -5.222 1.00 0.00 C ATOM 628 CD LYS A 54 -4.901 -1.426 -6.731 1.00 0.00 C ATOM 629 CE LYS A 54 -5.060 -0.089 -7.432 1.00 0.00 C ATOM 630 NZ LYS A 54 -6.400 0.504 -7.188 1.00 0.00 N ATOM 0 H LYS A 54 -2.681 -2.657 -3.305 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.392 -1.752 -2.614 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.172 -3.264 -4.945 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.901 -3.064 -4.734 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.698 -0.639 -4.900 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.949 -0.747 -4.932 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.983 -1.908 -7.068 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.726 -2.083 -7.007 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.289 0.598 -7.084 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.910 -0.220 -8.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.583 1.248 -7.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.127 -0.235 -7.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.429 0.915 -6.233 1.00 0.00 H new ATOM 644 N VAL A 55 -5.771 -3.804 -1.229 1.00 0.00 N ATOM 645 CA VAL A 55 -6.084 -5.006 -0.478 1.00 0.00 C ATOM 646 C VAL A 55 -7.540 -5.404 -0.680 1.00 0.00 C ATOM 647 O VAL A 55 -8.452 -4.607 -0.460 1.00 0.00 O ATOM 648 CB VAL A 55 -5.803 -4.818 1.026 1.00 0.00 C ATOM 649 CG1 VAL A 55 -5.929 -6.138 1.766 1.00 0.00 C ATOM 650 CG2 VAL A 55 -4.422 -4.214 1.243 1.00 0.00 C ATOM 0 H VAL A 55 -6.104 -2.939 -0.804 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.440 -5.801 -0.854 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.546 -4.129 1.427 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.727 -5.982 2.826 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -6.939 -6.529 1.643 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.212 -6.852 1.361 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.243 -4.089 2.311 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -3.665 -4.876 0.823 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.368 -3.243 0.750 1.00 0.00 H new ATOM 660 N ARG A 56 -7.750 -6.638 -1.107 1.00 0.00 N ATOM 661 CA ARG A 56 -9.090 -7.134 -1.384 1.00 0.00 C ATOM 662 C ARG A 56 -9.442 -8.263 -0.422 1.00 0.00 C ATOM 663 O ARG A 56 -8.618 -8.648 0.406 1.00 0.00 O ATOM 664 CB ARG A 56 -9.178 -7.629 -2.830 1.00 0.00 C ATOM 665 CG ARG A 56 -8.669 -6.623 -3.852 1.00 0.00 C ATOM 666 CD ARG A 56 -8.849 -7.131 -5.271 1.00 0.00 C ATOM 667 NE ARG A 56 -10.259 -7.250 -5.636 1.00 0.00 N ATOM 668 CZ ARG A 56 -10.763 -8.254 -6.348 1.00 0.00 C ATOM 669 NH1 ARG A 56 -9.980 -9.245 -6.756 1.00 0.00 N ATOM 670 NH2 ARG A 56 -12.053 -8.264 -6.660 1.00 0.00 N ATOM 0 H ARG A 56 -7.007 -7.318 -1.270 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.802 -6.320 -1.245 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.605 -8.551 -2.925 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.215 -7.873 -3.059 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -9.202 -5.680 -3.732 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.614 -6.419 -3.669 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.351 -6.453 -5.964 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.365 -8.103 -5.372 1.00 0.00 H new ATOM 0 HE ARG A 56 -10.897 -6.517 -5.325 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -8.987 -9.239 -6.524 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.371 -10.013 -7.302 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -12.658 -7.502 -6.354 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -12.440 -9.034 -7.206 1.00 0.00 H new ATOM 684 N ASN A 57 -10.663 -8.783 -0.534 1.00 0.00 N ATOM 685 CA ASN A 57 -11.117 -9.916 0.281 1.00 0.00 C ATOM 686 C ASN A 57 -11.040 -9.601 1.771 1.00 0.00 C ATOM 687 O ASN A 57 -10.570 -10.415 2.569 1.00 0.00 O ATOM 688 CB ASN A 57 -10.295 -11.172 -0.025 1.00 0.00 C ATOM 689 CG ASN A 57 -10.546 -11.712 -1.420 1.00 0.00 C ATOM 690 OD1 ASN A 57 -9.883 -11.321 -2.380 1.00 0.00 O ATOM 691 ND2 ASN A 57 -11.499 -12.624 -1.537 1.00 0.00 N ATOM 0 H ASN A 57 -11.365 -8.435 -1.188 1.00 0.00 H new ATOM 0 HA ASN A 57 -12.160 -10.101 0.023 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -9.235 -10.943 0.086 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -10.533 -11.944 0.707 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -11.707 -13.030 -2.449 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -12.025 -12.920 -0.715 1.00 0.00 H new ATOM 698 N GLY A 58 -11.491 -8.411 2.137 1.00 0.00 N ATOM 699 CA GLY A 58 -11.498 -8.015 3.531 1.00 0.00 C ATOM 700 C GLY A 58 -12.658 -8.613 4.311 1.00 0.00 C ATOM 701 O GLY A 58 -13.188 -9.656 3.923 1.00 0.00 O ATOM 0 H GLY A 58 -11.854 -7.710 1.491 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -10.560 -8.320 3.995 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -11.546 -6.928 3.594 1.00 0.00 H new ATOM 705 N PRO A 59 -13.073 -7.944 5.409 1.00 0.00 N ATOM 706 CA PRO A 59 -14.127 -8.413 6.325 1.00 0.00 C ATOM 707 C PRO A 59 -15.284 -9.137 5.635 1.00 0.00 C ATOM 708 O PRO A 59 -15.567 -10.300 5.933 1.00 0.00 O ATOM 709 CB PRO A 59 -14.617 -7.116 6.949 1.00 0.00 C ATOM 710 CG PRO A 59 -13.414 -6.236 6.997 1.00 0.00 C ATOM 711 CD PRO A 59 -12.521 -6.651 5.856 1.00 0.00 C ATOM 0 HA PRO A 59 -13.742 -9.153 7.027 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -15.412 -6.667 6.354 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -15.023 -7.286 7.946 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -13.698 -5.188 6.903 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -12.896 -6.342 7.950 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -12.534 -5.914 5.053 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -11.485 -6.752 6.179 1.00 0.00 H new ATOM 719 N ASN A 60 -15.961 -8.443 4.732 1.00 0.00 N ATOM 720 CA ASN A 60 -17.043 -9.043 3.963 1.00 0.00 C ATOM 721 C ASN A 60 -16.814 -8.790 2.482 1.00 0.00 C ATOM 722 O ASN A 60 -17.603 -8.113 1.824 1.00 0.00 O ATOM 723 CB ASN A 60 -18.394 -8.468 4.403 1.00 0.00 C ATOM 724 CG ASN A 60 -19.573 -9.274 3.889 1.00 0.00 C ATOM 725 OD1 ASN A 60 -20.121 -8.995 2.820 1.00 0.00 O ATOM 726 ND2 ASN A 60 -19.971 -10.279 4.650 1.00 0.00 N ATOM 0 H ASN A 60 -15.781 -7.463 4.513 1.00 0.00 H new ATOM 0 HA ASN A 60 -17.057 -10.118 4.143 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -18.431 -8.433 5.492 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -18.479 -7.441 4.048 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -20.759 -10.858 4.360 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -19.490 -10.476 5.528 1.00 0.00 H new ATOM 733 N GLY A 61 -15.709 -9.312 1.965 1.00 0.00 N ATOM 734 CA GLY A 61 -15.349 -9.062 0.582 1.00 0.00 C ATOM 735 C GLY A 61 -15.009 -7.606 0.360 1.00 0.00 C ATOM 736 O GLY A 61 -15.202 -7.062 -0.730 1.00 0.00 O ATOM 0 H GLY A 61 -15.056 -9.904 2.478 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -14.496 -9.683 0.307 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -16.175 -9.349 -0.069 1.00 0.00 H new ATOM 740 N ALA A 62 -14.510 -6.975 1.411 1.00 0.00 N ATOM 741 CA ALA A 62 -14.185 -5.563 1.378 1.00 0.00 C ATOM 742 C ALA A 62 -12.888 -5.318 0.639 1.00 0.00 C ATOM 743 O ALA A 62 -12.020 -6.190 0.567 1.00 0.00 O ATOM 744 CB ALA A 62 -14.102 -5.009 2.788 1.00 0.00 C ATOM 0 H ALA A 62 -14.321 -7.427 2.306 1.00 0.00 H new ATOM 0 HA ALA A 62 -14.981 -5.046 0.842 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -13.857 -3.948 2.748 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -15.061 -5.142 3.288 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -13.328 -5.539 3.342 1.00 0.00 H new ATOM 750 N GLU A 63 -12.772 -4.127 0.098 1.00 0.00 N ATOM 751 CA GLU A 63 -11.622 -3.751 -0.687 1.00 0.00 C ATOM 752 C GLU A 63 -11.102 -2.396 -0.251 1.00 0.00 C ATOM 753 O GLU A 63 -11.747 -1.363 -0.449 1.00 0.00 O ATOM 754 CB GLU A 63 -11.993 -3.760 -2.162 1.00 0.00 C ATOM 755 CG GLU A 63 -12.003 -5.159 -2.739 1.00 0.00 C ATOM 756 CD GLU A 63 -12.732 -5.254 -4.057 1.00 0.00 C ATOM 757 OE1 GLU A 63 -13.981 -5.280 -4.049 1.00 0.00 O ATOM 758 OE2 GLU A 63 -12.064 -5.323 -5.109 1.00 0.00 O ATOM 0 H GLU A 63 -13.473 -3.392 0.191 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.820 -4.472 -0.529 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.977 -3.309 -2.290 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -11.285 -3.145 -2.717 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.975 -5.496 -2.875 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -12.469 -5.837 -2.024 1.00 0.00 H new ATOM 765 N GLY A 64 -9.939 -2.427 0.362 1.00 0.00 N ATOM 766 CA GLY A 64 -9.333 -1.226 0.882 1.00 0.00 C ATOM 767 C GLY A 64 -8.123 -0.826 0.076 1.00 0.00 C ATOM 768 O GLY A 64 -7.581 -1.632 -0.683 1.00 0.00 O ATOM 0 H GLY A 64 -9.394 -3.276 0.512 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.062 -0.416 0.873 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.044 -1.383 1.921 1.00 0.00 H new ATOM 772 N TYR A 65 -7.697 0.411 0.233 1.00 0.00 N ATOM 773 CA TYR A 65 -6.569 0.920 -0.516 1.00 0.00 C ATOM 774 C TYR A 65 -5.800 1.945 0.304 1.00 0.00 C ATOM 775 O TYR A 65 -6.331 3.000 0.657 1.00 0.00 O ATOM 776 CB TYR A 65 -7.052 1.536 -1.830 1.00 0.00 C ATOM 777 CG TYR A 65 -5.952 2.156 -2.655 1.00 0.00 C ATOM 778 CD1 TYR A 65 -4.828 1.422 -3.008 1.00 0.00 C ATOM 779 CD2 TYR A 65 -6.037 3.472 -3.080 1.00 0.00 C ATOM 780 CE1 TYR A 65 -3.822 1.983 -3.762 1.00 0.00 C ATOM 781 CE2 TYR A 65 -5.033 4.043 -3.835 1.00 0.00 C ATOM 782 CZ TYR A 65 -3.929 3.295 -4.173 1.00 0.00 C ATOM 783 OH TYR A 65 -2.932 3.859 -4.933 1.00 0.00 O ATOM 0 H TYR A 65 -8.117 1.083 0.875 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.896 0.093 -0.742 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -7.546 0.765 -2.421 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -7.801 2.297 -1.610 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.741 0.395 -2.686 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -6.903 4.061 -2.816 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -2.954 1.399 -4.030 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -5.113 5.070 -4.158 1.00 0.00 H new ATOM 0 HH TYR A 65 -3.164 4.789 -5.139 1.00 0.00 H new ATOM 793 N TRP A 66 -4.551 1.631 0.605 1.00 0.00 N ATOM 794 CA TRP A 66 -3.707 2.533 1.369 1.00 0.00 C ATOM 795 C TRP A 66 -2.475 2.885 0.562 1.00 0.00 C ATOM 796 O TRP A 66 -1.912 2.047 -0.144 1.00 0.00 O ATOM 797 CB TRP A 66 -3.281 1.935 2.719 1.00 0.00 C ATOM 798 CG TRP A 66 -4.411 1.606 3.650 1.00 0.00 C ATOM 799 CD1 TRP A 66 -4.855 2.362 4.698 1.00 0.00 C ATOM 800 CD2 TRP A 66 -5.224 0.427 3.634 1.00 0.00 C ATOM 801 NE1 TRP A 66 -5.892 1.724 5.331 1.00 0.00 N ATOM 802 CE2 TRP A 66 -6.136 0.536 4.699 1.00 0.00 C ATOM 803 CE3 TRP A 66 -5.270 -0.710 2.824 1.00 0.00 C ATOM 804 CZ2 TRP A 66 -7.080 -0.448 4.974 1.00 0.00 C ATOM 805 CZ3 TRP A 66 -6.210 -1.683 3.097 1.00 0.00 C ATOM 806 CH2 TRP A 66 -7.103 -1.549 4.164 1.00 0.00 C ATOM 0 H TRP A 66 -4.099 0.758 0.332 1.00 0.00 H new ATOM 0 HA TRP A 66 -4.294 3.428 1.577 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -2.707 1.027 2.533 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -2.613 2.638 3.216 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -4.449 3.321 4.986 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -6.399 2.079 6.142 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -4.583 -0.826 1.999 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -7.770 -0.346 5.798 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -6.256 -2.564 2.475 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -7.825 -2.330 4.352 1.00 0.00 H new ATOM 817 N VAL A 67 -2.076 4.129 0.661 1.00 0.00 N ATOM 818 CA VAL A 67 -0.919 4.633 -0.040 1.00 0.00 C ATOM 819 C VAL A 67 0.222 4.870 0.935 1.00 0.00 C ATOM 820 O VAL A 67 0.097 5.665 1.864 1.00 0.00 O ATOM 821 CB VAL A 67 -1.266 5.942 -0.778 1.00 0.00 C ATOM 822 CG1 VAL A 67 -0.022 6.721 -1.147 1.00 0.00 C ATOM 823 CG2 VAL A 67 -2.086 5.652 -2.022 1.00 0.00 C ATOM 0 H VAL A 67 -2.549 4.827 1.235 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.607 3.891 -0.775 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.857 6.554 -0.096 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -0.307 7.637 -1.665 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.531 6.973 -0.242 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.607 6.115 -1.800 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.321 6.588 -2.529 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.515 5.009 -2.692 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -3.011 5.150 -1.739 1.00 0.00 H new ATOM 833 N ILE A 68 1.316 4.156 0.738 1.00 0.00 N ATOM 834 CA ILE A 68 2.503 4.344 1.552 1.00 0.00 C ATOM 835 C ILE A 68 3.425 5.338 0.856 1.00 0.00 C ATOM 836 O ILE A 68 4.142 4.989 -0.083 1.00 0.00 O ATOM 837 CB ILE A 68 3.275 3.025 1.812 1.00 0.00 C ATOM 838 CG1 ILE A 68 2.379 1.947 2.439 1.00 0.00 C ATOM 839 CG2 ILE A 68 4.470 3.287 2.719 1.00 0.00 C ATOM 840 CD1 ILE A 68 1.502 1.217 1.444 1.00 0.00 C ATOM 0 H ILE A 68 1.407 3.438 0.019 1.00 0.00 H new ATOM 0 HA ILE A 68 2.177 4.719 2.522 1.00 0.00 H new ATOM 0 HB ILE A 68 3.618 2.654 0.846 1.00 0.00 H new ATOM 0 HG12 ILE A 68 3.008 1.221 2.954 1.00 0.00 H new ATOM 0 HG13 ILE A 68 1.745 2.411 3.194 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.005 2.354 2.895 1.00 0.00 H new ATOM 0 HG22 ILE A 68 5.138 4.004 2.242 1.00 0.00 H new ATOM 0 HG23 ILE A 68 4.123 3.691 3.670 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.901 0.473 1.966 1.00 0.00 H new ATOM 0 HD12 ILE A 68 0.845 1.930 0.946 1.00 0.00 H new ATOM 0 HD13 ILE A 68 2.128 0.722 0.702 1.00 0.00 H new ATOM 852 N ASN A 69 3.383 6.579 1.304 1.00 0.00 N ATOM 853 CA ASN A 69 4.149 7.640 0.673 1.00 0.00 C ATOM 854 C ASN A 69 5.550 7.707 1.257 1.00 0.00 C ATOM 855 O ASN A 69 5.763 8.258 2.340 1.00 0.00 O ATOM 856 CB ASN A 69 3.450 8.988 0.847 1.00 0.00 C ATOM 857 CG ASN A 69 4.056 10.078 -0.022 1.00 0.00 C ATOM 858 OD1 ASN A 69 5.256 10.080 -0.310 1.00 0.00 O ATOM 859 ND2 ASN A 69 3.223 11.006 -0.458 1.00 0.00 N ATOM 0 H ASN A 69 2.826 6.878 2.104 1.00 0.00 H new ATOM 0 HA ASN A 69 4.220 7.417 -0.391 1.00 0.00 H new ATOM 0 HB2 ASN A 69 2.393 8.879 0.603 1.00 0.00 H new ATOM 0 HB3 ASN A 69 3.506 9.290 1.893 1.00 0.00 H new ATOM 0 HD21 ASN A 69 3.565 11.759 -1.055 1.00 0.00 H new ATOM 0 HD22 ASN A 69 2.237 10.970 -0.198 1.00 0.00 H new ATOM 866 N ALA A 70 6.499 7.133 0.543 1.00 0.00 N ATOM 867 CA ALA A 70 7.892 7.213 0.933 1.00 0.00 C ATOM 868 C ALA A 70 8.676 8.028 -0.085 1.00 0.00 C ATOM 869 O ALA A 70 9.902 8.019 -0.087 1.00 0.00 O ATOM 870 CB ALA A 70 8.484 5.822 1.079 1.00 0.00 C ATOM 0 H ALA A 70 6.329 6.605 -0.313 1.00 0.00 H new ATOM 0 HA ALA A 70 7.957 7.713 1.899 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.531 5.901 1.372 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.934 5.271 1.842 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.413 5.295 0.128 1.00 0.00 H new ATOM 876 N LYS A 71 7.955 8.742 -0.945 1.00 0.00 N ATOM 877 CA LYS A 71 8.579 9.569 -1.973 1.00 0.00 C ATOM 878 C LYS A 71 9.378 10.694 -1.330 1.00 0.00 C ATOM 879 O LYS A 71 10.514 10.964 -1.715 1.00 0.00 O ATOM 880 CB LYS A 71 7.509 10.141 -2.906 1.00 0.00 C ATOM 881 CG LYS A 71 8.044 11.074 -3.981 1.00 0.00 C ATOM 882 CD LYS A 71 8.927 10.354 -4.994 1.00 0.00 C ATOM 883 CE LYS A 71 8.135 9.355 -5.826 1.00 0.00 C ATOM 884 NZ LYS A 71 8.942 8.794 -6.942 1.00 0.00 N ATOM 0 H LYS A 71 6.935 8.764 -0.950 1.00 0.00 H new ATOM 0 HA LYS A 71 9.260 8.951 -2.558 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.985 9.315 -3.387 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.774 10.680 -2.308 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.208 11.541 -4.501 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.615 11.875 -3.511 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.395 11.085 -5.653 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.731 9.835 -4.472 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.789 8.544 -5.186 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.248 9.843 -6.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.324 8.253 -7.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 9.391 9.570 -7.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.677 8.166 -6.558 1.00 0.00 H new ATOM 898 N GLU A 72 8.778 11.334 -0.335 1.00 0.00 N ATOM 899 CA GLU A 72 9.444 12.396 0.409 1.00 0.00 C ATOM 900 C GLU A 72 10.348 11.812 1.487 1.00 0.00 C ATOM 901 O GLU A 72 11.010 12.540 2.225 1.00 0.00 O ATOM 902 CB GLU A 72 8.410 13.321 1.041 1.00 0.00 C ATOM 903 CG GLU A 72 7.552 14.044 0.021 1.00 0.00 C ATOM 904 CD GLU A 72 8.364 14.949 -0.882 1.00 0.00 C ATOM 905 OE1 GLU A 72 8.800 16.024 -0.417 1.00 0.00 O ATOM 906 OE2 GLU A 72 8.587 14.588 -2.055 1.00 0.00 O ATOM 0 H GLU A 72 7.827 11.135 -0.023 1.00 0.00 H new ATOM 0 HA GLU A 72 10.059 12.969 -0.285 1.00 0.00 H new ATOM 0 HB2 GLU A 72 7.766 12.739 1.700 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.921 14.056 1.662 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.021 13.312 -0.587 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.797 14.636 0.539 1.00 0.00 H new ATOM 913 N GLY A 73 10.360 10.491 1.569 1.00 0.00 N ATOM 914 CA GLY A 73 11.187 9.808 2.545 1.00 0.00 C ATOM 915 C GLY A 73 10.503 9.676 3.883 1.00 0.00 C ATOM 916 O GLY A 73 11.156 9.609 4.923 1.00 0.00 O ATOM 0 H GLY A 73 9.808 9.874 0.973 1.00 0.00 H new ATOM 0 HA2 GLY A 73 11.443 8.817 2.171 1.00 0.00 H new ATOM 0 HA3 GLY A 73 12.123 10.353 2.670 1.00 0.00 H new ATOM 920 N LYS A 74 9.184 9.648 3.855 1.00 0.00 N ATOM 921 CA LYS A 74 8.396 9.550 5.075 1.00 0.00 C ATOM 922 C LYS A 74 8.062 8.099 5.395 1.00 0.00 C ATOM 923 O LYS A 74 8.471 7.574 6.430 1.00 0.00 O ATOM 924 CB LYS A 74 7.111 10.372 4.945 1.00 0.00 C ATOM 925 CG LYS A 74 7.354 11.850 4.672 1.00 0.00 C ATOM 926 CD LYS A 74 8.220 12.495 5.747 1.00 0.00 C ATOM 927 CE LYS A 74 7.564 12.429 7.116 1.00 0.00 C ATOM 928 NZ LYS A 74 8.413 13.033 8.173 1.00 0.00 N ATOM 0 H LYS A 74 8.631 9.692 2.999 1.00 0.00 H new ATOM 0 HA LYS A 74 8.991 9.951 5.895 1.00 0.00 H new ATOM 0 HB2 LYS A 74 6.505 9.958 4.139 1.00 0.00 H new ATOM 0 HB3 LYS A 74 6.532 10.272 5.863 1.00 0.00 H new ATOM 0 HG2 LYS A 74 7.836 11.965 3.701 1.00 0.00 H new ATOM 0 HG3 LYS A 74 6.398 12.370 4.616 1.00 0.00 H new ATOM 0 HD2 LYS A 74 9.187 11.994 5.783 1.00 0.00 H new ATOM 0 HD3 LYS A 74 8.410 13.536 5.485 1.00 0.00 H new ATOM 0 HE2 LYS A 74 6.605 12.946 7.083 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.357 11.389 7.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.926 12.966 9.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 9.319 12.524 8.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 8.590 14.033 7.947 1.00 0.00 H new ATOM 942 N GLY A 75 7.316 7.447 4.512 1.00 0.00 N ATOM 943 CA GLY A 75 6.925 6.077 4.762 1.00 0.00 C ATOM 944 C GLY A 75 5.603 5.992 5.498 1.00 0.00 C ATOM 945 O GLY A 75 5.401 5.101 6.320 1.00 0.00 O ATOM 0 H GLY A 75 6.978 7.841 3.634 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.848 5.543 3.815 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.699 5.580 5.347 1.00 0.00 H new ATOM 949 N LYS A 76 4.708 6.927 5.206 1.00 0.00 N ATOM 950 CA LYS A 76 3.413 6.991 5.875 1.00 0.00 C ATOM 951 C LYS A 76 2.349 6.330 5.015 1.00 0.00 C ATOM 952 O LYS A 76 2.413 6.402 3.790 1.00 0.00 O ATOM 953 CB LYS A 76 3.017 8.447 6.128 1.00 0.00 C ATOM 954 CG LYS A 76 2.897 9.269 4.851 1.00 0.00 C ATOM 955 CD LYS A 76 2.318 10.647 5.118 1.00 0.00 C ATOM 956 CE LYS A 76 2.337 11.506 3.865 1.00 0.00 C ATOM 957 NZ LYS A 76 1.727 12.843 4.092 1.00 0.00 N ATOM 0 H LYS A 76 4.855 7.655 4.507 1.00 0.00 H new ATOM 0 HA LYS A 76 3.492 6.467 6.827 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.065 8.471 6.658 1.00 0.00 H new ATOM 0 HB3 LYS A 76 3.757 8.909 6.781 1.00 0.00 H new ATOM 0 HG2 LYS A 76 3.880 9.371 4.391 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.264 8.741 4.137 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.294 10.550 5.479 1.00 0.00 H new ATOM 0 HD3 LYS A 76 2.889 11.137 5.906 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.366 11.630 3.527 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.799 10.994 3.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.762 13.395 3.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 0.737 12.727 4.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 2.255 13.344 4.835 1.00 0.00 H new ATOM 971 N VAL A 77 1.369 5.693 5.638 1.00 0.00 N ATOM 972 CA VAL A 77 0.300 5.067 4.880 1.00 0.00 C ATOM 973 C VAL A 77 -1.007 5.829 5.099 1.00 0.00 C ATOM 974 O VAL A 77 -1.365 6.180 6.228 1.00 0.00 O ATOM 975 CB VAL A 77 0.140 3.547 5.198 1.00 0.00 C ATOM 976 CG1 VAL A 77 1.453 2.943 5.681 1.00 0.00 C ATOM 977 CG2 VAL A 77 -0.972 3.265 6.195 1.00 0.00 C ATOM 0 H VAL A 77 1.293 5.597 6.651 1.00 0.00 H new ATOM 0 HA VAL A 77 0.569 5.121 3.825 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.143 3.069 4.260 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.310 1.884 5.894 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.213 3.058 4.908 1.00 0.00 H new ATOM 0 HG13 VAL A 77 1.777 3.455 6.587 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.035 2.192 6.376 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.759 3.779 7.132 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.920 3.621 5.793 1.00 0.00 H new ATOM 987 N THR A 78 -1.681 6.134 4.007 1.00 0.00 N ATOM 988 CA THR A 78 -2.919 6.892 4.049 1.00 0.00 C ATOM 989 C THR A 78 -3.932 6.289 3.083 1.00 0.00 C ATOM 990 O THR A 78 -3.572 5.874 1.983 1.00 0.00 O ATOM 991 CB THR A 78 -2.666 8.378 3.693 1.00 0.00 C ATOM 992 OG1 THR A 78 -3.905 9.093 3.586 1.00 0.00 O ATOM 993 CG2 THR A 78 -1.879 8.506 2.394 1.00 0.00 C ATOM 0 H THR A 78 -1.388 5.865 3.068 1.00 0.00 H new ATOM 0 HA THR A 78 -3.318 6.845 5.062 1.00 0.00 H new ATOM 0 HB THR A 78 -2.076 8.814 4.499 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.724 10.030 3.362 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.716 9.560 2.169 1.00 0.00 H new ATOM 0 HG22 THR A 78 -0.917 8.005 2.501 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.440 8.044 1.582 1.00 0.00 H new ATOM 1001 N TYR A 79 -5.188 6.218 3.498 1.00 0.00 N ATOM 1002 CA TYR A 79 -6.226 5.631 2.666 1.00 0.00 C ATOM 1003 C TYR A 79 -6.429 6.477 1.412 1.00 0.00 C ATOM 1004 O TYR A 79 -6.591 7.697 1.503 1.00 0.00 O ATOM 1005 CB TYR A 79 -7.538 5.507 3.447 1.00 0.00 C ATOM 1006 CG TYR A 79 -8.521 4.531 2.836 1.00 0.00 C ATOM 1007 CD1 TYR A 79 -8.502 3.189 3.196 1.00 0.00 C ATOM 1008 CD2 TYR A 79 -9.466 4.946 1.906 1.00 0.00 C ATOM 1009 CE1 TYR A 79 -9.395 2.290 2.646 1.00 0.00 C ATOM 1010 CE2 TYR A 79 -10.362 4.052 1.353 1.00 0.00 C ATOM 1011 CZ TYR A 79 -10.322 2.725 1.725 1.00 0.00 C ATOM 1012 OH TYR A 79 -11.215 1.832 1.180 1.00 0.00 O ATOM 0 H TYR A 79 -5.512 6.559 4.403 1.00 0.00 H new ATOM 0 HA TYR A 79 -5.912 4.630 2.369 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -7.315 5.194 4.467 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -8.007 6.489 3.511 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -7.777 2.843 3.918 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -9.501 5.984 1.611 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -9.366 1.250 2.937 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -11.091 4.391 0.632 1.00 0.00 H new ATOM 0 HH TYR A 79 -11.801 2.299 0.549 1.00 0.00 H new ATOM 1022 N ASN A 80 -6.381 5.818 0.252 1.00 0.00 N ATOM 1023 CA ASN A 80 -6.517 6.468 -1.063 1.00 0.00 C ATOM 1024 C ASN A 80 -5.251 7.234 -1.458 1.00 0.00 C ATOM 1025 O ASN A 80 -4.773 7.117 -2.585 1.00 0.00 O ATOM 1026 CB ASN A 80 -7.745 7.391 -1.114 1.00 0.00 C ATOM 1027 CG ASN A 80 -7.860 8.142 -2.428 1.00 0.00 C ATOM 1028 OD1 ASN A 80 -7.340 9.249 -2.571 1.00 0.00 O ATOM 1029 ND2 ASN A 80 -8.546 7.550 -3.391 1.00 0.00 N ATOM 0 H ASN A 80 -6.246 4.809 0.194 1.00 0.00 H new ATOM 0 HA ASN A 80 -6.662 5.670 -1.791 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -8.646 6.798 -0.959 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -7.690 8.108 -0.294 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -8.660 8.011 -4.294 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -8.961 6.632 -3.231 1.00 0.00 H new ATOM 1036 N GLY A 81 -4.715 8.000 -0.517 1.00 0.00 N ATOM 1037 CA GLY A 81 -3.486 8.752 -0.717 1.00 0.00 C ATOM 1038 C GLY A 81 -3.611 9.937 -1.661 1.00 0.00 C ATOM 1039 O GLY A 81 -3.090 11.012 -1.371 1.00 0.00 O ATOM 0 H GLY A 81 -5.123 8.117 0.410 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -3.135 9.111 0.250 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.722 8.077 -1.103 1.00 0.00 H new ATOM 1043 N GLY A 82 -4.303 9.756 -2.776 1.00 0.00 N ATOM 1044 CA GLY A 82 -4.395 10.805 -3.777 1.00 0.00 C ATOM 1045 C GLY A 82 -3.152 10.872 -4.648 1.00 0.00 C ATOM 1046 O GLY A 82 -3.172 11.441 -5.739 1.00 0.00 O ATOM 0 H GLY A 82 -4.805 8.899 -3.008 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.269 10.631 -4.405 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -4.544 11.765 -3.283 1.00 0.00 H new ATOM 1050 N GLU A 83 -2.068 10.287 -4.155 1.00 0.00 N ATOM 1051 CA GLU A 83 -0.804 10.250 -4.871 1.00 0.00 C ATOM 1052 C GLU A 83 -0.800 9.111 -5.879 1.00 0.00 C ATOM 1053 O GLU A 83 -1.557 8.148 -5.741 1.00 0.00 O ATOM 1054 CB GLU A 83 0.350 10.046 -3.889 1.00 0.00 C ATOM 1055 CG GLU A 83 0.443 11.110 -2.810 1.00 0.00 C ATOM 1056 CD GLU A 83 0.813 12.472 -3.361 1.00 0.00 C ATOM 1057 OE1 GLU A 83 2.004 12.697 -3.660 1.00 0.00 O ATOM 1058 OE2 GLU A 83 -0.084 13.329 -3.500 1.00 0.00 O ATOM 0 H GLU A 83 -2.043 9.825 -3.246 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.680 11.198 -5.394 1.00 0.00 H new ATOM 0 HB2 GLU A 83 0.240 9.071 -3.414 1.00 0.00 H new ATOM 0 HB3 GLU A 83 1.287 10.026 -4.446 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -0.513 11.180 -2.291 1.00 0.00 H new ATOM 0 HG3 GLU A 83 1.185 10.808 -2.071 1.00 0.00 H new ATOM 1065 N LYS A 84 0.052 9.222 -6.884 1.00 0.00 N ATOM 1066 CA LYS A 84 0.232 8.155 -7.850 1.00 0.00 C ATOM 1067 C LYS A 84 1.419 7.293 -7.443 1.00 0.00 C ATOM 1068 O LYS A 84 2.570 7.734 -7.502 1.00 0.00 O ATOM 1069 CB LYS A 84 0.428 8.722 -9.250 1.00 0.00 C ATOM 1070 CG LYS A 84 -0.807 9.422 -9.781 1.00 0.00 C ATOM 1071 CD LYS A 84 -0.637 9.812 -11.232 1.00 0.00 C ATOM 1072 CE LYS A 84 -1.841 10.567 -11.750 1.00 0.00 C ATOM 1073 NZ LYS A 84 -3.103 9.793 -11.602 1.00 0.00 N ATOM 0 H LYS A 84 0.632 10.044 -7.051 1.00 0.00 H new ATOM 0 HA LYS A 84 -0.665 7.536 -7.866 1.00 0.00 H new ATOM 0 HB2 LYS A 84 1.261 9.425 -9.239 1.00 0.00 H new ATOM 0 HB3 LYS A 84 0.702 7.914 -9.929 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.672 8.767 -9.677 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.008 10.312 -9.184 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.255 10.429 -11.341 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.481 8.917 -11.834 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -1.932 11.512 -11.214 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -1.689 10.811 -12.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -3.859 10.254 -12.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -2.961 8.826 -11.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -3.372 9.757 -10.598 1.00 0.00 H new ATOM 1087 N PRO A 85 1.143 6.062 -6.995 1.00 0.00 N ATOM 1088 CA PRO A 85 2.171 5.140 -6.512 1.00 0.00 C ATOM 1089 C PRO A 85 3.144 4.723 -7.602 1.00 0.00 C ATOM 1090 O PRO A 85 2.752 4.433 -8.736 1.00 0.00 O ATOM 1091 CB PRO A 85 1.377 3.924 -6.022 1.00 0.00 C ATOM 1092 CG PRO A 85 -0.027 4.398 -5.884 1.00 0.00 C ATOM 1093 CD PRO A 85 -0.201 5.478 -6.908 1.00 0.00 C ATOM 0 HA PRO A 85 2.786 5.604 -5.741 1.00 0.00 H new ATOM 0 HB2 PRO A 85 1.445 3.099 -6.731 1.00 0.00 H new ATOM 0 HB3 PRO A 85 1.764 3.560 -5.070 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -0.732 3.584 -6.052 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -0.213 4.779 -4.880 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -0.531 5.077 -7.867 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -0.943 6.214 -6.598 1.00 0.00 H new ATOM 1101 N ASP A 86 4.421 4.701 -7.239 1.00 0.00 N ATOM 1102 CA ASP A 86 5.477 4.254 -8.133 1.00 0.00 C ATOM 1103 C ASP A 86 5.342 2.760 -8.372 1.00 0.00 C ATOM 1104 O ASP A 86 5.680 2.256 -9.441 1.00 0.00 O ATOM 1105 CB ASP A 86 6.853 4.567 -7.539 1.00 0.00 C ATOM 1106 CG ASP A 86 7.060 6.046 -7.277 1.00 0.00 C ATOM 1107 OD1 ASP A 86 6.552 6.552 -6.255 1.00 0.00 O ATOM 1108 OD2 ASP A 86 7.732 6.714 -8.086 1.00 0.00 O ATOM 0 H ASP A 86 4.751 4.992 -6.319 1.00 0.00 H new ATOM 0 HA ASP A 86 5.383 4.783 -9.081 1.00 0.00 H new ATOM 0 HB2 ASP A 86 6.974 4.017 -6.605 1.00 0.00 H new ATOM 0 HB3 ASP A 86 7.626 4.212 -8.220 1.00 0.00 H new ATOM 1113 N VAL A 87 4.859 2.058 -7.350 1.00 0.00 N ATOM 1114 CA VAL A 87 4.519 0.645 -7.464 1.00 0.00 C ATOM 1115 C VAL A 87 3.235 0.346 -6.698 1.00 0.00 C ATOM 1116 O VAL A 87 3.081 0.744 -5.544 1.00 0.00 O ATOM 1117 CB VAL A 87 5.640 -0.298 -6.951 1.00 0.00 C ATOM 1118 CG1 VAL A 87 6.793 -0.384 -7.932 1.00 0.00 C ATOM 1119 CG2 VAL A 87 6.143 0.128 -5.583 1.00 0.00 C ATOM 0 H VAL A 87 4.693 2.452 -6.424 1.00 0.00 H new ATOM 0 HA VAL A 87 4.387 0.452 -8.528 1.00 0.00 H new ATOM 0 HB VAL A 87 5.199 -1.291 -6.860 1.00 0.00 H new ATOM 0 HG11 VAL A 87 7.557 -1.053 -7.537 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.431 -0.768 -8.886 1.00 0.00 H new ATOM 0 HG13 VAL A 87 7.220 0.608 -8.079 1.00 0.00 H new ATOM 0 HG21 VAL A 87 6.927 -0.554 -5.255 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.544 1.140 -5.642 1.00 0.00 H new ATOM 0 HG23 VAL A 87 5.320 0.105 -4.869 1.00 0.00 H new ATOM 1129 N THR A 88 2.307 -0.331 -7.352 1.00 0.00 N ATOM 1130 CA THR A 88 1.069 -0.734 -6.706 1.00 0.00 C ATOM 1131 C THR A 88 0.988 -2.254 -6.615 1.00 0.00 C ATOM 1132 O THR A 88 1.279 -2.955 -7.584 1.00 0.00 O ATOM 1133 CB THR A 88 -0.158 -0.195 -7.468 1.00 0.00 C ATOM 1134 OG1 THR A 88 -0.023 1.217 -7.665 1.00 0.00 O ATOM 1135 CG2 THR A 88 -1.443 -0.479 -6.704 1.00 0.00 C ATOM 0 H THR A 88 2.387 -0.613 -8.329 1.00 0.00 H new ATOM 0 HA THR A 88 1.066 -0.311 -5.701 1.00 0.00 H new ATOM 0 HB THR A 88 -0.209 -0.700 -8.433 1.00 0.00 H new ATOM 0 HG1 THR A 88 -0.804 1.556 -8.151 1.00 0.00 H new ATOM 0 HG21 THR A 88 -2.293 -0.088 -7.264 1.00 0.00 H new ATOM 0 HG22 THR A 88 -1.558 -1.555 -6.573 1.00 0.00 H new ATOM 0 HG23 THR A 88 -1.400 0.003 -5.727 1.00 0.00 H new ATOM 1143 N PHE A 89 0.614 -2.751 -5.443 1.00 0.00 N ATOM 1144 CA PHE A 89 0.468 -4.182 -5.221 1.00 0.00 C ATOM 1145 C PHE A 89 -0.976 -4.501 -4.859 1.00 0.00 C ATOM 1146 O PHE A 89 -1.553 -3.866 -3.977 1.00 0.00 O ATOM 1147 CB PHE A 89 1.387 -4.665 -4.090 1.00 0.00 C ATOM 1148 CG PHE A 89 2.833 -4.289 -4.259 1.00 0.00 C ATOM 1149 CD1 PHE A 89 3.315 -3.090 -3.757 1.00 0.00 C ATOM 1150 CD2 PHE A 89 3.709 -5.135 -4.916 1.00 0.00 C ATOM 1151 CE1 PHE A 89 4.644 -2.745 -3.907 1.00 0.00 C ATOM 1152 CE2 PHE A 89 5.039 -4.795 -5.069 1.00 0.00 C ATOM 1153 CZ PHE A 89 5.506 -3.599 -4.565 1.00 0.00 C ATOM 0 H PHE A 89 0.405 -2.178 -4.626 1.00 0.00 H new ATOM 0 HA PHE A 89 0.747 -4.696 -6.141 1.00 0.00 H new ATOM 0 HB2 PHE A 89 1.026 -4.256 -3.146 1.00 0.00 H new ATOM 0 HB3 PHE A 89 1.313 -5.750 -4.017 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.644 -2.418 -3.243 1.00 0.00 H new ATOM 0 HD2 PHE A 89 3.349 -6.072 -5.314 1.00 0.00 H new ATOM 0 HE1 PHE A 89 5.008 -1.809 -3.510 1.00 0.00 H new ATOM 0 HE2 PHE A 89 5.713 -5.465 -5.583 1.00 0.00 H new ATOM 0 HZ PHE A 89 6.545 -3.331 -4.685 1.00 0.00 H new ATOM 1163 N THR A 90 -1.564 -5.458 -5.552 1.00 0.00 N ATOM 1164 CA THR A 90 -2.900 -5.922 -5.222 1.00 0.00 C ATOM 1165 C THR A 90 -2.817 -7.293 -4.565 1.00 0.00 C ATOM 1166 O THR A 90 -2.173 -8.199 -5.097 1.00 0.00 O ATOM 1167 CB THR A 90 -3.788 -6.001 -6.471 1.00 0.00 C ATOM 1168 OG1 THR A 90 -3.598 -4.825 -7.267 1.00 0.00 O ATOM 1169 CG2 THR A 90 -5.256 -6.128 -6.094 1.00 0.00 C ATOM 0 H THR A 90 -1.137 -5.931 -6.349 1.00 0.00 H new ATOM 0 HA THR A 90 -3.348 -5.207 -4.532 1.00 0.00 H new ATOM 0 HB THR A 90 -3.503 -6.886 -7.039 1.00 0.00 H new ATOM 0 HG1 THR A 90 -4.164 -4.876 -8.066 1.00 0.00 H new ATOM 0 HG21 THR A 90 -5.861 -6.182 -6.999 1.00 0.00 H new ATOM 0 HG22 THR A 90 -5.403 -7.033 -5.505 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.557 -5.260 -5.507 1.00 0.00 H new ATOM 1177 N ILE A 91 -3.453 -7.428 -3.412 1.00 0.00 N ATOM 1178 CA ILE A 91 -3.376 -8.647 -2.620 1.00 0.00 C ATOM 1179 C ILE A 91 -4.555 -8.728 -1.659 1.00 0.00 C ATOM 1180 O ILE A 91 -5.096 -7.712 -1.229 1.00 0.00 O ATOM 1181 CB ILE A 91 -2.027 -8.701 -1.850 1.00 0.00 C ATOM 1182 CG1 ILE A 91 -1.101 -9.736 -2.480 1.00 0.00 C ATOM 1183 CG2 ILE A 91 -2.218 -9.006 -0.374 1.00 0.00 C ATOM 1184 CD1 ILE A 91 -1.509 -11.169 -2.206 1.00 0.00 C ATOM 0 H ILE A 91 -4.035 -6.699 -2.999 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.423 -9.507 -3.288 1.00 0.00 H new ATOM 0 HB ILE A 91 -1.575 -7.712 -1.924 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.072 -9.576 -3.558 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.089 -9.579 -2.107 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.247 -9.033 0.121 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.835 -8.231 0.081 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.709 -9.973 -0.263 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -0.803 -11.846 -2.686 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.510 -11.348 -1.131 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.508 -11.345 -2.604 1.00 0.00 H new ATOM 1196 N SER A 92 -4.967 -9.945 -1.362 1.00 0.00 N ATOM 1197 CA SER A 92 -6.057 -10.190 -0.444 1.00 0.00 C ATOM 1198 C SER A 92 -5.603 -10.049 1.008 1.00 0.00 C ATOM 1199 O SER A 92 -4.483 -10.421 1.365 1.00 0.00 O ATOM 1200 CB SER A 92 -6.588 -11.594 -0.699 1.00 0.00 C ATOM 1201 OG SER A 92 -5.712 -12.297 -1.567 1.00 0.00 O ATOM 0 H SER A 92 -4.553 -10.792 -1.752 1.00 0.00 H new ATOM 0 HA SER A 92 -6.842 -9.452 -0.609 1.00 0.00 H new ATOM 0 HB2 SER A 92 -6.686 -12.131 0.244 1.00 0.00 H new ATOM 0 HB3 SER A 92 -7.583 -11.540 -1.140 1.00 0.00 H new ATOM 0 HG SER A 92 -5.022 -12.750 -1.039 1.00 0.00 H new ATOM 1207 N ASP A 93 -6.507 -9.510 1.829 1.00 0.00 N ATOM 1208 CA ASP A 93 -6.318 -9.353 3.278 1.00 0.00 C ATOM 1209 C ASP A 93 -5.834 -10.650 3.911 1.00 0.00 C ATOM 1210 O ASP A 93 -5.122 -10.652 4.915 1.00 0.00 O ATOM 1211 CB ASP A 93 -7.661 -8.944 3.900 1.00 0.00 C ATOM 1212 CG ASP A 93 -7.652 -8.910 5.418 1.00 0.00 C ATOM 1213 OD1 ASP A 93 -7.311 -7.860 5.998 1.00 0.00 O ATOM 1214 OD2 ASP A 93 -8.036 -9.929 6.037 1.00 0.00 O ATOM 0 H ASP A 93 -7.409 -9.163 1.502 1.00 0.00 H new ATOM 0 HA ASP A 93 -5.562 -8.589 3.460 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -7.938 -7.958 3.526 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -8.431 -9.639 3.567 1.00 0.00 H new ATOM 1219 N GLU A 94 -6.225 -11.746 3.291 1.00 0.00 N ATOM 1220 CA GLU A 94 -5.929 -13.077 3.779 1.00 0.00 C ATOM 1221 C GLU A 94 -4.455 -13.430 3.566 1.00 0.00 C ATOM 1222 O GLU A 94 -3.797 -13.950 4.466 1.00 0.00 O ATOM 1223 CB GLU A 94 -6.825 -14.072 3.048 1.00 0.00 C ATOM 1224 CG GLU A 94 -8.237 -13.549 2.831 1.00 0.00 C ATOM 1225 CD GLU A 94 -9.165 -14.587 2.246 1.00 0.00 C ATOM 1226 OE1 GLU A 94 -9.606 -15.485 2.995 1.00 0.00 O ATOM 1227 OE2 GLU A 94 -9.471 -14.503 1.039 1.00 0.00 O ATOM 0 H GLU A 94 -6.763 -11.736 2.425 1.00 0.00 H new ATOM 0 HA GLU A 94 -6.121 -13.118 4.851 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -6.380 -14.313 2.083 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -6.870 -15.000 3.619 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -8.641 -13.203 3.782 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -8.201 -12.685 2.167 1.00 0.00 H new ATOM 1234 N ASP A 95 -3.941 -13.118 2.382 1.00 0.00 N ATOM 1235 CA ASP A 95 -2.568 -13.473 2.017 1.00 0.00 C ATOM 1236 C ASP A 95 -1.575 -12.472 2.588 1.00 0.00 C ATOM 1237 O ASP A 95 -0.409 -12.800 2.818 1.00 0.00 O ATOM 1238 CB ASP A 95 -2.401 -13.514 0.494 1.00 0.00 C ATOM 1239 CG ASP A 95 -3.299 -14.527 -0.181 1.00 0.00 C ATOM 1240 OD1 ASP A 95 -4.499 -14.228 -0.366 1.00 0.00 O ATOM 1241 OD2 ASP A 95 -2.808 -15.614 -0.552 1.00 0.00 O ATOM 0 H ASP A 95 -4.453 -12.619 1.655 1.00 0.00 H new ATOM 0 HA ASP A 95 -2.369 -14.460 2.434 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -2.610 -12.525 0.086 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -1.363 -13.744 0.256 1.00 0.00 H new ATOM 1246 N VAL A 96 -2.046 -11.249 2.819 1.00 0.00 N ATOM 1247 CA VAL A 96 -1.179 -10.162 3.264 1.00 0.00 C ATOM 1248 C VAL A 96 -0.446 -10.529 4.553 1.00 0.00 C ATOM 1249 O VAL A 96 0.705 -10.145 4.756 1.00 0.00 O ATOM 1250 CB VAL A 96 -1.974 -8.844 3.486 1.00 0.00 C ATOM 1251 CG1 VAL A 96 -2.055 -8.472 4.963 1.00 0.00 C ATOM 1252 CG2 VAL A 96 -1.365 -7.695 2.697 1.00 0.00 C ATOM 0 H VAL A 96 -3.025 -10.986 2.705 1.00 0.00 H new ATOM 0 HA VAL A 96 -0.450 -10.002 2.469 1.00 0.00 H new ATOM 0 HB VAL A 96 -2.986 -9.023 3.124 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.618 -7.546 5.075 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.556 -9.269 5.512 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -1.049 -8.335 5.359 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.942 -6.787 2.872 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -0.335 -7.538 3.019 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -1.380 -7.935 1.634 1.00 0.00 H new ATOM 1262 N VAL A 97 -1.108 -11.299 5.408 1.00 0.00 N ATOM 1263 CA VAL A 97 -0.601 -11.551 6.746 1.00 0.00 C ATOM 1264 C VAL A 97 0.659 -12.402 6.700 1.00 0.00 C ATOM 1265 O VAL A 97 1.516 -12.300 7.573 1.00 0.00 O ATOM 1266 CB VAL A 97 -1.662 -12.227 7.649 1.00 0.00 C ATOM 1267 CG1 VAL A 97 -2.995 -11.510 7.526 1.00 0.00 C ATOM 1268 CG2 VAL A 97 -1.815 -13.705 7.322 1.00 0.00 C ATOM 0 H VAL A 97 -1.994 -11.757 5.197 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.358 -10.581 7.180 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.318 -12.153 8.681 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -3.730 -11.997 8.167 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -2.879 -10.470 7.832 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.334 -11.547 6.491 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -2.568 -14.146 7.975 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.125 -13.818 6.283 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -0.862 -14.212 7.473 1.00 0.00 H new ATOM 1278 N ASP A 98 0.776 -13.222 5.665 1.00 0.00 N ATOM 1279 CA ASP A 98 1.952 -14.048 5.487 1.00 0.00 C ATOM 1280 C ASP A 98 3.005 -13.266 4.727 1.00 0.00 C ATOM 1281 O ASP A 98 4.198 -13.471 4.911 1.00 0.00 O ATOM 1282 CB ASP A 98 1.617 -15.332 4.728 1.00 0.00 C ATOM 1283 CG ASP A 98 0.533 -16.151 5.391 1.00 0.00 C ATOM 1284 OD1 ASP A 98 0.852 -16.928 6.316 1.00 0.00 O ATOM 1285 OD2 ASP A 98 -0.640 -16.025 4.991 1.00 0.00 O ATOM 0 H ASP A 98 0.069 -13.330 4.938 1.00 0.00 H new ATOM 0 HA ASP A 98 2.331 -14.325 6.471 1.00 0.00 H new ATOM 0 HB2 ASP A 98 1.303 -15.077 3.716 1.00 0.00 H new ATOM 0 HB3 ASP A 98 2.518 -15.939 4.638 1.00 0.00 H new ATOM 1290 N LEU A 99 2.551 -12.358 3.877 1.00 0.00 N ATOM 1291 CA LEU A 99 3.458 -11.533 3.087 1.00 0.00 C ATOM 1292 C LEU A 99 4.220 -10.564 3.977 1.00 0.00 C ATOM 1293 O LEU A 99 5.439 -10.433 3.872 1.00 0.00 O ATOM 1294 CB LEU A 99 2.682 -10.753 2.022 1.00 0.00 C ATOM 1295 CG LEU A 99 2.134 -11.591 0.867 1.00 0.00 C ATOM 1296 CD1 LEU A 99 1.292 -10.730 -0.055 1.00 0.00 C ATOM 1297 CD2 LEU A 99 3.269 -12.240 0.090 1.00 0.00 C ATOM 0 H LEU A 99 1.561 -12.172 3.715 1.00 0.00 H new ATOM 0 HA LEU A 99 4.172 -12.194 2.596 1.00 0.00 H new ATOM 0 HB2 LEU A 99 1.849 -10.241 2.505 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.335 -9.982 1.612 1.00 0.00 H new ATOM 0 HG LEU A 99 1.506 -12.379 1.282 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.908 -11.340 -0.873 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.458 -10.306 0.504 1.00 0.00 H new ATOM 0 HD13 LEU A 99 1.904 -9.924 -0.460 1.00 0.00 H new ATOM 0 HD21 LEU A 99 2.858 -12.832 -0.728 1.00 0.00 H new ATOM 0 HD22 LEU A 99 3.922 -11.467 -0.314 1.00 0.00 H new ATOM 0 HD23 LEU A 99 3.841 -12.887 0.755 1.00 0.00 H new ATOM 1309 N ILE A 100 3.492 -9.907 4.868 1.00 0.00 N ATOM 1310 CA ILE A 100 4.069 -8.887 5.730 1.00 0.00 C ATOM 1311 C ILE A 100 4.906 -9.513 6.849 1.00 0.00 C ATOM 1312 O ILE A 100 5.825 -8.884 7.381 1.00 0.00 O ATOM 1313 CB ILE A 100 2.958 -7.984 6.318 1.00 0.00 C ATOM 1314 CG1 ILE A 100 2.091 -7.436 5.178 1.00 0.00 C ATOM 1315 CG2 ILE A 100 3.557 -6.846 7.139 1.00 0.00 C ATOM 1316 CD1 ILE A 100 1.063 -6.413 5.609 1.00 0.00 C ATOM 0 H ILE A 100 2.495 -10.064 5.013 1.00 0.00 H new ATOM 0 HA ILE A 100 4.733 -8.271 5.124 1.00 0.00 H new ATOM 0 HB ILE A 100 2.335 -8.578 6.987 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.741 -6.986 4.428 1.00 0.00 H new ATOM 0 HG13 ILE A 100 1.577 -8.268 4.696 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.755 -6.226 7.541 1.00 0.00 H new ATOM 0 HG22 ILE A 100 4.143 -7.259 7.960 1.00 0.00 H new ATOM 0 HG23 ILE A 100 4.201 -6.239 6.503 1.00 0.00 H new ATOM 0 HD11 ILE A 100 0.495 -6.080 4.740 1.00 0.00 H new ATOM 0 HD12 ILE A 100 0.385 -6.862 6.335 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.567 -5.559 6.062 1.00 0.00 H new ATOM 1328 N SER A 101 4.602 -10.759 7.189 1.00 0.00 N ATOM 1329 CA SER A 101 5.352 -11.470 8.215 1.00 0.00 C ATOM 1330 C SER A 101 6.593 -12.136 7.624 1.00 0.00 C ATOM 1331 O SER A 101 7.518 -12.504 8.344 1.00 0.00 O ATOM 1332 CB SER A 101 4.464 -12.516 8.886 1.00 0.00 C ATOM 1333 OG SER A 101 3.860 -13.363 7.926 1.00 0.00 O ATOM 0 H SER A 101 3.843 -11.297 6.770 1.00 0.00 H new ATOM 0 HA SER A 101 5.677 -10.746 8.962 1.00 0.00 H new ATOM 0 HB2 SER A 101 5.058 -13.112 9.579 1.00 0.00 H new ATOM 0 HB3 SER A 101 3.692 -12.019 9.474 1.00 0.00 H new ATOM 0 HG SER A 101 2.890 -13.227 7.934 1.00 0.00 H new ATOM 1339 N GLY A 102 6.599 -12.294 6.307 1.00 0.00 N ATOM 1340 CA GLY A 102 7.722 -12.921 5.636 1.00 0.00 C ATOM 1341 C GLY A 102 7.535 -14.419 5.490 1.00 0.00 C ATOM 1342 O GLY A 102 8.472 -15.145 5.163 1.00 0.00 O ATOM 0 H GLY A 102 5.843 -11.998 5.689 1.00 0.00 H new ATOM 0 HA2 GLY A 102 7.850 -12.474 4.650 1.00 0.00 H new ATOM 0 HA3 GLY A 102 8.635 -12.723 6.197 1.00 0.00 H new ATOM 1346 N LYS A 103 6.316 -14.873 5.727 1.00 0.00 N ATOM 1347 CA LYS A 103 5.982 -16.289 5.647 1.00 0.00 C ATOM 1348 C LYS A 103 5.641 -16.693 4.221 1.00 0.00 C ATOM 1349 O LYS A 103 6.044 -17.754 3.747 1.00 0.00 O ATOM 1350 CB LYS A 103 4.797 -16.579 6.561 1.00 0.00 C ATOM 1351 CG LYS A 103 5.164 -16.570 8.034 1.00 0.00 C ATOM 1352 CD LYS A 103 3.936 -16.550 8.923 1.00 0.00 C ATOM 1353 CE LYS A 103 4.321 -16.407 10.386 1.00 0.00 C ATOM 1354 NZ LYS A 103 3.132 -16.275 11.268 1.00 0.00 N ATOM 0 H LYS A 103 5.530 -14.274 5.980 1.00 0.00 H new ATOM 0 HA LYS A 103 6.849 -16.868 5.965 1.00 0.00 H new ATOM 0 HB2 LYS A 103 4.018 -15.838 6.382 1.00 0.00 H new ATOM 0 HB3 LYS A 103 4.377 -17.551 6.303 1.00 0.00 H new ATOM 0 HG2 LYS A 103 5.764 -17.450 8.264 1.00 0.00 H new ATOM 0 HG3 LYS A 103 5.782 -15.698 8.249 1.00 0.00 H new ATOM 0 HD2 LYS A 103 3.287 -15.724 8.632 1.00 0.00 H new ATOM 0 HD3 LYS A 103 3.366 -17.468 8.782 1.00 0.00 H new ATOM 0 HE2 LYS A 103 4.905 -17.275 10.693 1.00 0.00 H new ATOM 0 HE3 LYS A 103 4.961 -15.533 10.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 3.442 -16.180 12.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 2.588 -15.432 10.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 2.533 -17.120 11.173 1.00 0.00 H new ATOM 1368 N LEU A 104 4.899 -15.842 3.541 1.00 0.00 N ATOM 1369 CA LEU A 104 4.503 -16.110 2.174 1.00 0.00 C ATOM 1370 C LEU A 104 5.402 -15.363 1.206 1.00 0.00 C ATOM 1371 O LEU A 104 5.577 -14.151 1.312 1.00 0.00 O ATOM 1372 CB LEU A 104 3.041 -15.717 1.979 1.00 0.00 C ATOM 1373 CG LEU A 104 2.509 -15.751 0.544 1.00 0.00 C ATOM 1374 CD1 LEU A 104 2.638 -17.143 -0.054 1.00 0.00 C ATOM 1375 CD2 LEU A 104 1.061 -15.289 0.509 1.00 0.00 C ATOM 0 H LEU A 104 4.557 -14.956 3.915 1.00 0.00 H new ATOM 0 HA LEU A 104 4.608 -17.176 1.971 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.426 -16.381 2.587 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.904 -14.709 2.370 1.00 0.00 H new ATOM 0 HG LEU A 104 3.110 -15.070 -0.058 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.253 -17.138 -1.074 1.00 0.00 H new ATOM 0 HD12 LEU A 104 3.687 -17.439 -0.064 1.00 0.00 H new ATOM 0 HD13 LEU A 104 2.067 -17.851 0.546 1.00 0.00 H new ATOM 0 HD21 LEU A 104 0.695 -15.318 -0.517 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.454 -15.948 1.130 1.00 0.00 H new ATOM 0 HD23 LEU A 104 0.995 -14.270 0.889 1.00 0.00 H new ATOM 1387 N ASN A 105 5.988 -16.105 0.283 1.00 0.00 N ATOM 1388 CA ASN A 105 6.840 -15.523 -0.737 1.00 0.00 C ATOM 1389 C ASN A 105 6.009 -14.752 -1.751 1.00 0.00 C ATOM 1390 O ASN A 105 5.108 -15.312 -2.383 1.00 0.00 O ATOM 1391 CB ASN A 105 7.644 -16.619 -1.443 1.00 0.00 C ATOM 1392 CG ASN A 105 8.800 -17.126 -0.601 1.00 0.00 C ATOM 1393 OD1 ASN A 105 8.652 -18.080 0.161 1.00 0.00 O ATOM 1394 ND2 ASN A 105 9.956 -16.490 -0.720 1.00 0.00 N ATOM 0 H ASN A 105 5.888 -17.118 0.220 1.00 0.00 H new ATOM 0 HA ASN A 105 7.531 -14.831 -0.255 1.00 0.00 H new ATOM 0 HB2 ASN A 105 6.983 -17.451 -1.685 1.00 0.00 H new ATOM 0 HB3 ASN A 105 8.028 -16.232 -2.387 1.00 0.00 H new ATOM 0 HD21 ASN A 105 10.761 -16.788 -0.169 1.00 0.00 H new ATOM 0 HD22 ASN A 105 10.041 -15.703 -1.363 1.00 0.00 H new ATOM 1401 N PRO A 106 6.299 -13.452 -1.922 1.00 0.00 N ATOM 1402 CA PRO A 106 5.618 -12.628 -2.912 1.00 0.00 C ATOM 1403 C PRO A 106 5.930 -13.118 -4.311 1.00 0.00 C ATOM 1404 O PRO A 106 5.169 -12.890 -5.244 1.00 0.00 O ATOM 1405 CB PRO A 106 6.151 -11.209 -2.691 1.00 0.00 C ATOM 1406 CG PRO A 106 7.013 -11.261 -1.470 1.00 0.00 C ATOM 1407 CD PRO A 106 7.320 -12.704 -1.176 1.00 0.00 C ATOM 0 HA PRO A 106 4.534 -12.668 -2.806 1.00 0.00 H new ATOM 0 HB2 PRO A 106 6.723 -10.871 -3.555 1.00 0.00 H new ATOM 0 HB3 PRO A 106 5.331 -10.504 -2.556 1.00 0.00 H new ATOM 0 HG2 PRO A 106 7.934 -10.701 -1.630 1.00 0.00 H new ATOM 0 HG3 PRO A 106 6.503 -10.800 -0.624 1.00 0.00 H new ATOM 0 HD2 PRO A 106 8.326 -12.971 -1.501 1.00 0.00 H new ATOM 0 HD3 PRO A 106 7.265 -12.913 -0.108 1.00 0.00 H new ATOM 1415 N GLN A 107 7.057 -13.809 -4.433 1.00 0.00 N ATOM 1416 CA GLN A 107 7.415 -14.507 -5.651 1.00 0.00 C ATOM 1417 C GLN A 107 6.313 -15.470 -6.070 1.00 0.00 C ATOM 1418 O GLN A 107 5.711 -15.325 -7.135 1.00 0.00 O ATOM 1419 CB GLN A 107 8.690 -15.303 -5.430 1.00 0.00 C ATOM 1420 CG GLN A 107 9.955 -14.470 -5.357 1.00 0.00 C ATOM 1421 CD GLN A 107 11.189 -15.328 -5.168 1.00 0.00 C ATOM 1422 OE1 GLN A 107 11.592 -15.617 -4.043 1.00 0.00 O ATOM 1423 NE2 GLN A 107 11.792 -15.750 -6.266 1.00 0.00 N ATOM 0 H GLN A 107 7.746 -13.898 -3.686 1.00 0.00 H new ATOM 0 HA GLN A 107 7.560 -13.763 -6.435 1.00 0.00 H new ATOM 0 HB2 GLN A 107 8.592 -15.871 -4.505 1.00 0.00 H new ATOM 0 HB3 GLN A 107 8.794 -16.027 -6.238 1.00 0.00 H new ATOM 0 HG2 GLN A 107 10.057 -13.885 -6.271 1.00 0.00 H new ATOM 0 HG3 GLN A 107 9.876 -13.762 -4.532 1.00 0.00 H new ATOM 0 HE21 GLN A 107 11.426 -15.488 -7.181 1.00 0.00 H new ATOM 0 HE22 GLN A 107 12.623 -16.338 -6.198 1.00 0.00 H new ATOM 1432 N LYS A 108 6.048 -16.451 -5.211 1.00 0.00 N ATOM 1433 CA LYS A 108 5.075 -17.486 -5.518 1.00 0.00 C ATOM 1434 C LYS A 108 3.689 -16.883 -5.652 1.00 0.00 C ATOM 1435 O LYS A 108 2.893 -17.312 -6.481 1.00 0.00 O ATOM 1436 CB LYS A 108 5.083 -18.580 -4.440 1.00 0.00 C ATOM 1437 CG LYS A 108 4.337 -18.224 -3.159 1.00 0.00 C ATOM 1438 CD LYS A 108 3.148 -19.140 -2.918 1.00 0.00 C ATOM 1439 CE LYS A 108 1.880 -18.604 -3.560 1.00 0.00 C ATOM 1440 NZ LYS A 108 1.271 -17.502 -2.778 1.00 0.00 N ATOM 0 H LYS A 108 6.495 -16.548 -4.299 1.00 0.00 H new ATOM 0 HA LYS A 108 5.350 -17.944 -6.468 1.00 0.00 H new ATOM 0 HB2 LYS A 108 4.644 -19.486 -4.859 1.00 0.00 H new ATOM 0 HB3 LYS A 108 6.117 -18.814 -4.188 1.00 0.00 H new ATOM 0 HG2 LYS A 108 5.020 -18.287 -2.312 1.00 0.00 H new ATOM 0 HG3 LYS A 108 3.993 -17.191 -3.215 1.00 0.00 H new ATOM 0 HD2 LYS A 108 3.366 -20.131 -3.317 1.00 0.00 H new ATOM 0 HD3 LYS A 108 2.991 -19.256 -1.846 1.00 0.00 H new ATOM 0 HE2 LYS A 108 2.107 -18.250 -4.565 1.00 0.00 H new ATOM 0 HE3 LYS A 108 1.158 -19.414 -3.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 0.479 -17.092 -3.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 0.921 -17.872 -1.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 1.985 -16.767 -2.599 1.00 0.00 H new ATOM 1454 N ALA A 109 3.405 -15.879 -4.835 1.00 0.00 N ATOM 1455 CA ALA A 109 2.097 -15.253 -4.857 1.00 0.00 C ATOM 1456 C ALA A 109 1.915 -14.461 -6.148 1.00 0.00 C ATOM 1457 O ALA A 109 0.813 -14.372 -6.682 1.00 0.00 O ATOM 1458 CB ALA A 109 1.907 -14.361 -3.642 1.00 0.00 C ATOM 0 H ALA A 109 4.057 -15.486 -4.156 1.00 0.00 H new ATOM 0 HA ALA A 109 1.337 -16.033 -4.821 1.00 0.00 H new ATOM 0 HB1 ALA A 109 0.919 -13.902 -3.679 1.00 0.00 H new ATOM 0 HB2 ALA A 109 1.996 -14.958 -2.735 1.00 0.00 H new ATOM 0 HB3 ALA A 109 2.670 -13.582 -3.640 1.00 0.00 H new ATOM 1464 N PHE A 110 3.011 -13.888 -6.642 1.00 0.00 N ATOM 1465 CA PHE A 110 3.010 -13.189 -7.920 1.00 0.00 C ATOM 1466 C PHE A 110 2.706 -14.176 -9.040 1.00 0.00 C ATOM 1467 O PHE A 110 1.830 -13.943 -9.875 1.00 0.00 O ATOM 1468 CB PHE A 110 4.375 -12.521 -8.167 1.00 0.00 C ATOM 1469 CG PHE A 110 4.493 -11.790 -9.482 1.00 0.00 C ATOM 1470 CD1 PHE A 110 4.890 -12.458 -10.631 1.00 0.00 C ATOM 1471 CD2 PHE A 110 4.220 -10.433 -9.566 1.00 0.00 C ATOM 1472 CE1 PHE A 110 5.007 -11.789 -11.834 1.00 0.00 C ATOM 1473 CE2 PHE A 110 4.336 -9.759 -10.767 1.00 0.00 C ATOM 1474 CZ PHE A 110 4.730 -10.438 -11.902 1.00 0.00 C ATOM 0 H PHE A 110 3.916 -13.896 -6.171 1.00 0.00 H new ATOM 0 HA PHE A 110 2.243 -12.415 -7.900 1.00 0.00 H new ATOM 0 HB2 PHE A 110 4.571 -11.818 -7.358 1.00 0.00 H new ATOM 0 HB3 PHE A 110 5.151 -13.285 -8.121 1.00 0.00 H new ATOM 0 HD1 PHE A 110 5.110 -13.514 -10.585 1.00 0.00 H new ATOM 0 HD2 PHE A 110 3.913 -9.896 -8.681 1.00 0.00 H new ATOM 0 HE1 PHE A 110 5.315 -12.323 -12.721 1.00 0.00 H new ATOM 0 HE2 PHE A 110 4.119 -8.702 -10.817 1.00 0.00 H new ATOM 0 HZ PHE A 110 4.822 -9.914 -12.842 1.00 0.00 H new ATOM 1484 N PHE A 111 3.439 -15.284 -9.028 1.00 0.00 N ATOM 1485 CA PHE A 111 3.283 -16.339 -10.021 1.00 0.00 C ATOM 1486 C PHE A 111 1.861 -16.888 -10.017 1.00 0.00 C ATOM 1487 O PHE A 111 1.279 -17.142 -11.070 1.00 0.00 O ATOM 1488 CB PHE A 111 4.280 -17.467 -9.741 1.00 0.00 C ATOM 1489 CG PHE A 111 4.211 -18.604 -10.724 1.00 0.00 C ATOM 1490 CD1 PHE A 111 4.792 -18.489 -11.977 1.00 0.00 C ATOM 1491 CD2 PHE A 111 3.571 -19.789 -10.391 1.00 0.00 C ATOM 1492 CE1 PHE A 111 4.734 -19.533 -12.880 1.00 0.00 C ATOM 1493 CE2 PHE A 111 3.511 -20.835 -11.291 1.00 0.00 C ATOM 1494 CZ PHE A 111 4.093 -20.706 -12.537 1.00 0.00 C ATOM 0 H PHE A 111 4.157 -15.475 -8.330 1.00 0.00 H new ATOM 0 HA PHE A 111 3.481 -15.916 -11.006 1.00 0.00 H new ATOM 0 HB2 PHE A 111 5.289 -17.056 -9.748 1.00 0.00 H new ATOM 0 HB3 PHE A 111 4.101 -17.856 -8.739 1.00 0.00 H new ATOM 0 HD1 PHE A 111 5.295 -17.573 -12.250 1.00 0.00 H new ATOM 0 HD2 PHE A 111 3.115 -19.895 -9.418 1.00 0.00 H new ATOM 0 HE1 PHE A 111 5.190 -19.431 -13.854 1.00 0.00 H new ATOM 0 HE2 PHE A 111 3.010 -21.753 -11.021 1.00 0.00 H new ATOM 0 HZ PHE A 111 4.046 -21.523 -13.242 1.00 0.00 H new ATOM 1504 N GLN A 112 1.306 -17.049 -8.823 1.00 0.00 N ATOM 1505 CA GLN A 112 -0.016 -17.626 -8.653 1.00 0.00 C ATOM 1506 C GLN A 112 -1.123 -16.588 -8.805 1.00 0.00 C ATOM 1507 O GLN A 112 -2.273 -16.833 -8.441 1.00 0.00 O ATOM 1508 CB GLN A 112 -0.095 -18.310 -7.295 1.00 0.00 C ATOM 1509 CG GLN A 112 0.744 -19.570 -7.238 1.00 0.00 C ATOM 1510 CD GLN A 112 0.311 -20.522 -6.142 1.00 0.00 C ATOM 1511 OE1 GLN A 112 -0.979 -20.543 -5.841 1.00 0.00 O flip ATOM 1512 NE2 GLN A 112 1.128 -21.249 -5.579 1.00 0.00 N flip ATOM 0 H GLN A 112 1.760 -16.783 -7.949 1.00 0.00 H new ATOM 0 HA GLN A 112 -0.171 -18.361 -9.443 1.00 0.00 H new ATOM 0 HB2 GLN A 112 0.239 -17.618 -6.522 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -1.134 -18.557 -7.075 1.00 0.00 H new ATOM 0 HG2 GLN A 112 0.687 -20.081 -8.199 1.00 0.00 H new ATOM 0 HG3 GLN A 112 1.788 -19.298 -7.083 1.00 0.00 H new ATOM 0 HE21 GLN A 112 2.114 -21.205 -5.838 1.00 0.00 H new ATOM 0 HE22 GLN A 112 0.820 -21.896 -4.853 1.00 0.00 H new ATOM 1521 N GLY A 113 -0.766 -15.427 -9.332 1.00 0.00 N ATOM 1522 CA GLY A 113 -1.754 -14.419 -9.682 1.00 0.00 C ATOM 1523 C GLY A 113 -2.418 -13.763 -8.484 1.00 0.00 C ATOM 1524 O GLY A 113 -3.445 -13.100 -8.626 1.00 0.00 O ATOM 0 H GLY A 113 0.199 -15.160 -9.526 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -1.274 -13.649 -10.285 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -2.522 -14.878 -10.304 1.00 0.00 H new ATOM 1528 N LYS A 114 -1.845 -13.938 -7.308 1.00 0.00 N ATOM 1529 CA LYS A 114 -2.376 -13.307 -6.110 1.00 0.00 C ATOM 1530 C LYS A 114 -1.788 -11.920 -5.944 1.00 0.00 C ATOM 1531 O LYS A 114 -2.500 -10.964 -5.641 1.00 0.00 O ATOM 1532 CB LYS A 114 -2.091 -14.168 -4.879 1.00 0.00 C ATOM 1533 CG LYS A 114 -3.093 -15.299 -4.684 1.00 0.00 C ATOM 1534 CD LYS A 114 -4.277 -14.899 -3.801 1.00 0.00 C ATOM 1535 CE LYS A 114 -5.031 -13.690 -4.340 1.00 0.00 C ATOM 1536 NZ LYS A 114 -6.393 -13.583 -3.759 1.00 0.00 N ATOM 0 H LYS A 114 -1.014 -14.510 -7.155 1.00 0.00 H new ATOM 0 HA LYS A 114 -3.457 -13.213 -6.215 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -1.090 -14.591 -4.965 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -2.094 -13.533 -3.993 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -3.464 -15.621 -5.657 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -2.586 -16.154 -4.238 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -4.963 -15.742 -3.717 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -3.917 -14.679 -2.796 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -4.469 -12.783 -4.117 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -5.104 -13.762 -5.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -7.029 -13.130 -4.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -6.749 -14.533 -3.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -6.356 -13.010 -2.892 1.00 0.00 H new ATOM 1550 N ILE A 115 -0.489 -11.819 -6.165 1.00 0.00 N ATOM 1551 CA ILE A 115 0.196 -10.546 -6.118 1.00 0.00 C ATOM 1552 C ILE A 115 0.168 -9.895 -7.499 1.00 0.00 C ATOM 1553 O ILE A 115 0.696 -10.436 -8.477 1.00 0.00 O ATOM 1554 CB ILE A 115 1.644 -10.714 -5.570 1.00 0.00 C ATOM 1555 CG1 ILE A 115 1.740 -10.175 -4.158 1.00 0.00 C ATOM 1556 CG2 ILE A 115 2.666 -9.992 -6.412 1.00 0.00 C ATOM 1557 CD1 ILE A 115 2.866 -10.773 -3.363 1.00 0.00 C ATOM 0 H ILE A 115 0.114 -12.613 -6.380 1.00 0.00 H new ATOM 0 HA ILE A 115 -0.322 -9.882 -5.426 1.00 0.00 H new ATOM 0 HB ILE A 115 1.858 -11.782 -5.595 1.00 0.00 H new ATOM 0 HG12 ILE A 115 1.869 -9.093 -4.199 1.00 0.00 H new ATOM 0 HG13 ILE A 115 0.800 -10.365 -3.640 1.00 0.00 H new ATOM 0 HG21 ILE A 115 3.659 -10.141 -5.987 1.00 0.00 H new ATOM 0 HG22 ILE A 115 2.644 -10.386 -7.428 1.00 0.00 H new ATOM 0 HG23 ILE A 115 2.435 -8.927 -6.430 1.00 0.00 H new ATOM 0 HD11 ILE A 115 2.874 -10.341 -2.362 1.00 0.00 H new ATOM 0 HD12 ILE A 115 2.728 -11.852 -3.291 1.00 0.00 H new ATOM 0 HD13 ILE A 115 3.814 -10.561 -3.858 1.00 0.00 H new ATOM 1569 N LYS A 116 -0.531 -8.774 -7.585 1.00 0.00 N ATOM 1570 CA LYS A 116 -0.576 -7.997 -8.811 1.00 0.00 C ATOM 1571 C LYS A 116 0.173 -6.689 -8.610 1.00 0.00 C ATOM 1572 O LYS A 116 -0.358 -5.743 -8.029 1.00 0.00 O ATOM 1573 CB LYS A 116 -2.022 -7.697 -9.221 1.00 0.00 C ATOM 1574 CG LYS A 116 -2.908 -8.925 -9.367 1.00 0.00 C ATOM 1575 CD LYS A 116 -2.487 -9.778 -10.550 1.00 0.00 C ATOM 1576 CE LYS A 116 -3.462 -10.919 -10.790 1.00 0.00 C ATOM 1577 NZ LYS A 116 -4.828 -10.431 -11.125 1.00 0.00 N ATOM 0 H LYS A 116 -1.076 -8.382 -6.817 1.00 0.00 H new ATOM 0 HA LYS A 116 -0.106 -8.579 -9.604 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -2.465 -7.032 -8.480 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -2.013 -7.158 -10.168 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -2.862 -9.519 -8.454 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -3.945 -8.614 -9.492 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -2.425 -9.157 -11.444 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -1.490 -10.181 -10.372 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -3.093 -11.545 -11.602 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -3.510 -11.546 -9.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -5.382 -11.207 -11.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -5.298 -10.094 -10.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -4.760 -9.651 -11.809 1.00 0.00 H new ATOM 1591 N ILE A 117 1.406 -6.644 -9.073 1.00 0.00 N ATOM 1592 CA ILE A 117 2.221 -5.451 -8.957 1.00 0.00 C ATOM 1593 C ILE A 117 2.530 -4.889 -10.341 1.00 0.00 C ATOM 1594 O ILE A 117 2.836 -5.634 -11.274 1.00 0.00 O ATOM 1595 CB ILE A 117 3.511 -5.734 -8.134 1.00 0.00 C ATOM 1596 CG1 ILE A 117 4.732 -4.975 -8.656 1.00 0.00 C ATOM 1597 CG2 ILE A 117 3.806 -7.221 -8.069 1.00 0.00 C ATOM 1598 CD1 ILE A 117 4.752 -3.502 -8.293 1.00 0.00 C ATOM 0 H ILE A 117 1.868 -7.426 -9.537 1.00 0.00 H new ATOM 0 HA ILE A 117 1.661 -4.692 -8.410 1.00 0.00 H new ATOM 0 HB ILE A 117 3.312 -5.367 -7.127 1.00 0.00 H new ATOM 0 HG12 ILE A 117 5.633 -5.446 -8.264 1.00 0.00 H new ATOM 0 HG13 ILE A 117 4.768 -5.071 -9.741 1.00 0.00 H new ATOM 0 HG21 ILE A 117 4.713 -7.387 -7.488 1.00 0.00 H new ATOM 0 HG22 ILE A 117 2.971 -7.737 -7.595 1.00 0.00 H new ATOM 0 HG23 ILE A 117 3.946 -7.609 -9.078 1.00 0.00 H new ATOM 0 HD11 ILE A 117 5.650 -3.039 -8.701 1.00 0.00 H new ATOM 0 HD12 ILE A 117 3.871 -3.013 -8.708 1.00 0.00 H new ATOM 0 HD13 ILE A 117 4.749 -3.395 -7.208 1.00 0.00 H new ATOM 1610 N GLN A 118 2.419 -3.576 -10.463 1.00 0.00 N ATOM 1611 CA GLN A 118 2.575 -2.892 -11.736 1.00 0.00 C ATOM 1612 C GLN A 118 3.217 -1.542 -11.483 1.00 0.00 C ATOM 1613 O GLN A 118 2.530 -0.533 -11.312 1.00 0.00 O ATOM 1614 CB GLN A 118 1.216 -2.719 -12.419 1.00 0.00 C ATOM 1615 CG GLN A 118 1.296 -2.051 -13.782 1.00 0.00 C ATOM 1616 CD GLN A 118 -0.070 -1.754 -14.366 1.00 0.00 C ATOM 1617 OE1 GLN A 118 -1.033 -1.511 -13.635 1.00 0.00 O ATOM 1618 NE2 GLN A 118 -0.170 -1.773 -15.685 1.00 0.00 N ATOM 0 H GLN A 118 2.218 -2.954 -9.680 1.00 0.00 H new ATOM 0 HA GLN A 118 3.209 -3.483 -12.397 1.00 0.00 H new ATOM 0 HB2 GLN A 118 0.749 -3.697 -12.531 1.00 0.00 H new ATOM 0 HB3 GLN A 118 0.567 -2.128 -11.772 1.00 0.00 H new ATOM 0 HG2 GLN A 118 1.860 -1.122 -13.695 1.00 0.00 H new ATOM 0 HG3 GLN A 118 1.848 -2.695 -14.467 1.00 0.00 H new ATOM 0 HE21 GLN A 118 0.650 -1.978 -16.256 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -1.067 -1.582 -16.131 1.00 0.00 H new ATOM 1627 N GLY A 119 4.532 -1.532 -11.430 1.00 0.00 N ATOM 1628 CA GLY A 119 5.235 -0.352 -11.001 1.00 0.00 C ATOM 1629 C GLY A 119 6.678 -0.341 -11.429 1.00 0.00 C ATOM 1630 O GLY A 119 7.175 -1.329 -11.973 1.00 0.00 O ATOM 0 H GLY A 119 5.127 -2.322 -11.677 1.00 0.00 H new ATOM 0 HA2 GLY A 119 4.735 0.529 -11.404 1.00 0.00 H new ATOM 0 HA3 GLY A 119 5.183 -0.279 -9.915 1.00 0.00 H new ATOM 1634 N ASN A 120 7.330 0.794 -11.210 1.00 0.00 N ATOM 1635 CA ASN A 120 8.742 0.967 -11.538 1.00 0.00 C ATOM 1636 C ASN A 120 9.575 -0.152 -10.919 1.00 0.00 C ATOM 1637 O ASN A 120 9.776 -0.198 -9.702 1.00 0.00 O ATOM 1638 CB ASN A 120 9.234 2.333 -11.042 1.00 0.00 C ATOM 1639 CG ASN A 120 10.724 2.538 -11.258 1.00 0.00 C ATOM 1640 OD1 ASN A 120 11.326 1.938 -12.147 1.00 0.00 O ATOM 1641 ND2 ASN A 120 11.326 3.400 -10.454 1.00 0.00 N ATOM 0 H ASN A 120 6.896 1.621 -10.800 1.00 0.00 H new ATOM 0 HA ASN A 120 8.856 0.923 -12.621 1.00 0.00 H new ATOM 0 HB2 ASN A 120 8.685 3.121 -11.558 1.00 0.00 H new ATOM 0 HB3 ASN A 120 9.009 2.431 -9.980 1.00 0.00 H new ATOM 0 HD21 ASN A 120 12.323 3.586 -10.560 1.00 0.00 H new ATOM 0 HD22 ASN A 120 10.793 3.878 -9.728 1.00 0.00 H new ATOM 1648 N MET A 121 10.064 -1.047 -11.768 1.00 0.00 N ATOM 1649 CA MET A 121 10.776 -2.229 -11.307 1.00 0.00 C ATOM 1650 C MET A 121 12.106 -1.860 -10.673 1.00 0.00 C ATOM 1651 O MET A 121 12.576 -2.551 -9.779 1.00 0.00 O ATOM 1652 CB MET A 121 10.992 -3.219 -12.453 1.00 0.00 C ATOM 1653 CG MET A 121 9.698 -3.780 -13.023 1.00 0.00 C ATOM 1654 SD MET A 121 8.660 -4.566 -11.771 1.00 0.00 S ATOM 1655 CE MET A 121 9.719 -5.907 -11.231 1.00 0.00 C ATOM 0 H MET A 121 9.979 -0.975 -12.782 1.00 0.00 H new ATOM 0 HA MET A 121 10.158 -2.707 -10.547 1.00 0.00 H new ATOM 0 HB2 MET A 121 11.546 -2.724 -13.250 1.00 0.00 H new ATOM 0 HB3 MET A 121 11.611 -4.043 -12.099 1.00 0.00 H new ATOM 0 HG2 MET A 121 9.138 -2.975 -13.499 1.00 0.00 H new ATOM 0 HG3 MET A 121 9.934 -4.507 -13.800 1.00 0.00 H new ATOM 0 HE1 MET A 121 9.139 -6.612 -10.636 1.00 0.00 H new ATOM 0 HE2 MET A 121 10.130 -6.419 -12.101 1.00 0.00 H new ATOM 0 HE3 MET A 121 10.533 -5.507 -10.627 1.00 0.00 H new ATOM 1665 N GLY A 122 12.691 -0.746 -11.106 1.00 0.00 N ATOM 1666 CA GLY A 122 13.965 -0.323 -10.554 1.00 0.00 C ATOM 1667 C GLY A 122 13.811 0.140 -9.124 1.00 0.00 C ATOM 1668 O GLY A 122 14.767 0.166 -8.351 1.00 0.00 O ATOM 0 H GLY A 122 12.308 -0.132 -11.825 1.00 0.00 H new ATOM 0 HA2 GLY A 122 14.676 -1.148 -10.598 1.00 0.00 H new ATOM 0 HA3 GLY A 122 14.377 0.485 -11.159 1.00 0.00 H new ATOM 1672 N LEU A 123 12.582 0.483 -8.780 1.00 0.00 N ATOM 1673 CA LEU A 123 12.241 0.931 -7.448 1.00 0.00 C ATOM 1674 C LEU A 123 11.883 -0.273 -6.585 1.00 0.00 C ATOM 1675 O LEU A 123 12.297 -0.375 -5.431 1.00 0.00 O ATOM 1676 CB LEU A 123 11.069 1.913 -7.545 1.00 0.00 C ATOM 1677 CG LEU A 123 10.736 2.711 -6.279 1.00 0.00 C ATOM 1678 CD1 LEU A 123 10.307 4.120 -6.649 1.00 0.00 C ATOM 1679 CD2 LEU A 123 9.631 2.022 -5.494 1.00 0.00 C ATOM 0 H LEU A 123 11.791 0.457 -9.423 1.00 0.00 H new ATOM 0 HA LEU A 123 13.087 1.439 -6.985 1.00 0.00 H new ATOM 0 HB2 LEU A 123 11.282 2.620 -8.347 1.00 0.00 H new ATOM 0 HB3 LEU A 123 10.180 1.355 -7.840 1.00 0.00 H new ATOM 0 HG LEU A 123 11.629 2.763 -5.656 1.00 0.00 H new ATOM 0 HD11 LEU A 123 10.073 4.679 -5.743 1.00 0.00 H new ATOM 0 HD12 LEU A 123 11.116 4.618 -7.183 1.00 0.00 H new ATOM 0 HD13 LEU A 123 9.424 4.076 -7.287 1.00 0.00 H new ATOM 0 HD21 LEU A 123 9.406 2.601 -4.598 1.00 0.00 H new ATOM 0 HD22 LEU A 123 8.737 1.949 -6.113 1.00 0.00 H new ATOM 0 HD23 LEU A 123 9.957 1.022 -5.208 1.00 0.00 H new ATOM 1691 N ALA A 124 11.142 -1.205 -7.174 1.00 0.00 N ATOM 1692 CA ALA A 124 10.729 -2.409 -6.471 1.00 0.00 C ATOM 1693 C ALA A 124 11.892 -3.394 -6.330 1.00 0.00 C ATOM 1694 O ALA A 124 11.826 -4.337 -5.541 1.00 0.00 O ATOM 1695 CB ALA A 124 9.556 -3.066 -7.177 1.00 0.00 C ATOM 0 H ALA A 124 10.816 -1.147 -8.139 1.00 0.00 H new ATOM 0 HA ALA A 124 10.412 -2.119 -5.469 1.00 0.00 H new ATOM 0 HB1 ALA A 124 9.262 -3.965 -6.635 1.00 0.00 H new ATOM 0 HB2 ALA A 124 8.716 -2.372 -7.210 1.00 0.00 H new ATOM 0 HB3 ALA A 124 9.846 -3.333 -8.193 1.00 0.00 H new ATOM 1701 N MET A 125 12.954 -3.178 -7.104 1.00 0.00 N ATOM 1702 CA MET A 125 14.163 -3.990 -6.991 1.00 0.00 C ATOM 1703 C MET A 125 14.827 -3.798 -5.636 1.00 0.00 C ATOM 1704 O MET A 125 15.607 -4.637 -5.195 1.00 0.00 O ATOM 1705 CB MET A 125 15.160 -3.664 -8.104 1.00 0.00 C ATOM 1706 CG MET A 125 14.892 -4.410 -9.398 1.00 0.00 C ATOM 1707 SD MET A 125 16.068 -3.998 -10.703 1.00 0.00 S ATOM 1708 CE MET A 125 17.620 -4.470 -9.937 1.00 0.00 C ATOM 0 H MET A 125 13.001 -2.448 -7.815 1.00 0.00 H new ATOM 0 HA MET A 125 13.859 -5.032 -7.091 1.00 0.00 H new ATOM 0 HB2 MET A 125 15.135 -2.592 -8.300 1.00 0.00 H new ATOM 0 HB3 MET A 125 16.167 -3.901 -7.760 1.00 0.00 H new ATOM 0 HG2 MET A 125 14.930 -5.483 -9.208 1.00 0.00 H new ATOM 0 HG3 MET A 125 13.883 -4.182 -9.740 1.00 0.00 H new ATOM 0 HE1 MET A 125 18.372 -4.632 -10.709 1.00 0.00 H new ATOM 0 HE2 MET A 125 17.952 -3.676 -9.268 1.00 0.00 H new ATOM 0 HE3 MET A 125 17.480 -5.389 -9.368 1.00 0.00 H new ATOM 1718 N LYS A 126 14.528 -2.690 -4.975 1.00 0.00 N ATOM 1719 CA LYS A 126 15.029 -2.487 -3.628 1.00 0.00 C ATOM 1720 C LYS A 126 14.091 -3.153 -2.634 1.00 0.00 C ATOM 1721 O LYS A 126 14.527 -3.673 -1.615 1.00 0.00 O ATOM 1722 CB LYS A 126 15.196 -0.998 -3.308 1.00 0.00 C ATOM 1723 CG LYS A 126 15.936 -0.732 -2.004 1.00 0.00 C ATOM 1724 CD LYS A 126 17.343 -1.306 -2.030 1.00 0.00 C ATOM 1725 CE LYS A 126 18.232 -0.581 -3.029 1.00 0.00 C ATOM 1726 NZ LYS A 126 19.569 -1.217 -3.138 1.00 0.00 N ATOM 0 H LYS A 126 13.952 -1.932 -5.342 1.00 0.00 H new ATOM 0 HA LYS A 126 16.016 -2.943 -3.552 1.00 0.00 H new ATOM 0 HB2 LYS A 126 15.734 -0.518 -4.125 1.00 0.00 H new ATOM 0 HB3 LYS A 126 14.211 -0.533 -3.258 1.00 0.00 H new ATOM 0 HG2 LYS A 126 15.984 0.342 -1.825 1.00 0.00 H new ATOM 0 HG3 LYS A 126 15.380 -1.168 -1.174 1.00 0.00 H new ATOM 0 HD2 LYS A 126 17.782 -1.236 -1.035 1.00 0.00 H new ATOM 0 HD3 LYS A 126 17.299 -2.365 -2.285 1.00 0.00 H new ATOM 0 HE2 LYS A 126 17.751 -0.576 -4.007 1.00 0.00 H new ATOM 0 HE3 LYS A 126 18.348 0.459 -2.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 20.146 -0.695 -3.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 20.038 -1.200 -2.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 19.460 -2.202 -3.452 1.00 0.00 H new ATOM 1740 N LEU A 127 12.802 -3.165 -2.958 1.00 0.00 N ATOM 1741 CA LEU A 127 11.808 -3.836 -2.126 1.00 0.00 C ATOM 1742 C LEU A 127 12.110 -5.327 -2.039 1.00 0.00 C ATOM 1743 O LEU A 127 12.005 -5.935 -0.974 1.00 0.00 O ATOM 1744 CB LEU A 127 10.398 -3.636 -2.692 1.00 0.00 C ATOM 1745 CG LEU A 127 9.928 -2.185 -2.802 1.00 0.00 C ATOM 1746 CD1 LEU A 127 8.526 -2.121 -3.384 1.00 0.00 C ATOM 1747 CD2 LEU A 127 9.964 -1.508 -1.441 1.00 0.00 C ATOM 0 H LEU A 127 12.421 -2.717 -3.791 1.00 0.00 H new ATOM 0 HA LEU A 127 11.854 -3.397 -1.129 1.00 0.00 H new ATOM 0 HB2 LEU A 127 10.356 -4.088 -3.683 1.00 0.00 H new ATOM 0 HB3 LEU A 127 9.693 -4.180 -2.063 1.00 0.00 H new ATOM 0 HG LEU A 127 10.606 -1.656 -3.471 1.00 0.00 H new ATOM 0 HD11 LEU A 127 8.209 -1.081 -3.455 1.00 0.00 H new ATOM 0 HD12 LEU A 127 8.524 -2.569 -4.377 1.00 0.00 H new ATOM 0 HD13 LEU A 127 7.839 -2.667 -2.738 1.00 0.00 H new ATOM 0 HD21 LEU A 127 9.626 -0.476 -1.539 1.00 0.00 H new ATOM 0 HD22 LEU A 127 9.308 -2.041 -0.752 1.00 0.00 H new ATOM 0 HD23 LEU A 127 10.983 -1.521 -1.055 1.00 0.00 H new ATOM 1759 N THR A 128 12.507 -5.903 -3.167 1.00 0.00 N ATOM 1760 CA THR A 128 12.809 -7.324 -3.235 1.00 0.00 C ATOM 1761 C THR A 128 14.131 -7.632 -2.533 1.00 0.00 C ATOM 1762 O THR A 128 14.452 -8.785 -2.252 1.00 0.00 O ATOM 1763 CB THR A 128 12.848 -7.816 -4.698 1.00 0.00 C ATOM 1764 OG1 THR A 128 12.682 -9.238 -4.748 1.00 0.00 O ATOM 1765 CG2 THR A 128 14.155 -7.439 -5.384 1.00 0.00 C ATOM 0 H THR A 128 12.627 -5.405 -4.049 1.00 0.00 H new ATOM 0 HA THR A 128 12.011 -7.858 -2.719 1.00 0.00 H new ATOM 0 HB THR A 128 12.029 -7.328 -5.226 1.00 0.00 H new ATOM 0 HG1 THR A 128 12.345 -9.559 -3.885 1.00 0.00 H new ATOM 0 HG21 THR A 128 14.145 -7.802 -6.412 1.00 0.00 H new ATOM 0 HG22 THR A 128 14.267 -6.355 -5.384 1.00 0.00 H new ATOM 0 HG23 THR A 128 14.990 -7.890 -4.848 1.00 0.00 H new ATOM 1773 N ASP A 129 14.896 -6.594 -2.253 1.00 0.00 N ATOM 1774 CA ASP A 129 16.108 -6.739 -1.460 1.00 0.00 C ATOM 1775 C ASP A 129 15.762 -6.604 0.016 1.00 0.00 C ATOM 1776 O ASP A 129 16.161 -7.422 0.842 1.00 0.00 O ATOM 1777 CB ASP A 129 17.146 -5.686 -1.856 1.00 0.00 C ATOM 1778 CG ASP A 129 18.474 -5.877 -1.146 1.00 0.00 C ATOM 1779 OD1 ASP A 129 18.620 -5.413 0.002 1.00 0.00 O ATOM 1780 OD2 ASP A 129 19.386 -6.490 -1.742 1.00 0.00 O ATOM 0 H ASP A 129 14.702 -5.641 -2.561 1.00 0.00 H new ATOM 0 HA ASP A 129 16.537 -7.723 -1.647 1.00 0.00 H new ATOM 0 HB2 ASP A 129 17.306 -5.726 -2.934 1.00 0.00 H new ATOM 0 HB3 ASP A 129 16.756 -4.694 -1.628 1.00 0.00 H new ATOM 1785 N LEU A 130 14.967 -5.582 0.318 1.00 0.00 N ATOM 1786 CA LEU A 130 14.574 -5.258 1.687 1.00 0.00 C ATOM 1787 C LEU A 130 13.873 -6.421 2.376 1.00 0.00 C ATOM 1788 O LEU A 130 14.025 -6.614 3.579 1.00 0.00 O ATOM 1789 CB LEU A 130 13.662 -4.046 1.696 1.00 0.00 C ATOM 1790 CG LEU A 130 14.298 -2.758 1.185 1.00 0.00 C ATOM 1791 CD1 LEU A 130 13.526 -1.584 1.717 1.00 0.00 C ATOM 1792 CD2 LEU A 130 15.765 -2.661 1.586 1.00 0.00 C ATOM 0 H LEU A 130 14.575 -4.952 -0.382 1.00 0.00 H new ATOM 0 HA LEU A 130 15.489 -5.043 2.240 1.00 0.00 H new ATOM 0 HB2 LEU A 130 12.784 -4.266 1.089 1.00 0.00 H new ATOM 0 HB3 LEU A 130 13.311 -3.881 2.715 1.00 0.00 H new ATOM 0 HG LEU A 130 14.262 -2.758 0.096 1.00 0.00 H new ATOM 0 HD11 LEU A 130 13.975 -0.659 1.356 1.00 0.00 H new ATOM 0 HD12 LEU A 130 12.493 -1.643 1.375 1.00 0.00 H new ATOM 0 HD13 LEU A 130 13.549 -1.597 2.807 1.00 0.00 H new ATOM 0 HD21 LEU A 130 16.186 -1.730 1.205 1.00 0.00 H new ATOM 0 HD22 LEU A 130 15.847 -2.678 2.673 1.00 0.00 H new ATOM 0 HD23 LEU A 130 16.313 -3.505 1.168 1.00 0.00 H new ATOM 1804 N GLN A 131 13.112 -7.193 1.607 1.00 0.00 N ATOM 1805 CA GLN A 131 12.335 -8.310 2.148 1.00 0.00 C ATOM 1806 C GLN A 131 13.225 -9.344 2.840 1.00 0.00 C ATOM 1807 O GLN A 131 12.756 -10.113 3.677 1.00 0.00 O ATOM 1808 CB GLN A 131 11.535 -8.983 1.037 1.00 0.00 C ATOM 1809 CG GLN A 131 12.409 -9.573 -0.057 1.00 0.00 C ATOM 1810 CD GLN A 131 11.619 -10.228 -1.170 1.00 0.00 C ATOM 1811 OE1 GLN A 131 12.045 -10.230 -2.323 1.00 0.00 O ATOM 1812 NE2 GLN A 131 10.479 -10.806 -0.841 1.00 0.00 N ATOM 0 H GLN A 131 13.015 -7.066 0.600 1.00 0.00 H new ATOM 0 HA GLN A 131 11.655 -7.900 2.895 1.00 0.00 H new ATOM 0 HB2 GLN A 131 10.921 -9.773 1.468 1.00 0.00 H new ATOM 0 HB3 GLN A 131 10.854 -8.255 0.596 1.00 0.00 H new ATOM 0 HG2 GLN A 131 13.032 -8.784 -0.479 1.00 0.00 H new ATOM 0 HG3 GLN A 131 13.082 -10.309 0.383 1.00 0.00 H new ATOM 0 HE21 GLN A 131 10.157 -10.784 0.127 1.00 0.00 H new ATOM 0 HE22 GLN A 131 9.920 -11.274 -1.554 1.00 0.00 H new ATOM 1821 N ARG A 132 14.503 -9.364 2.485 1.00 0.00 N ATOM 1822 CA ARG A 132 15.455 -10.269 3.112 1.00 0.00 C ATOM 1823 C ARG A 132 15.664 -9.873 4.570 1.00 0.00 C ATOM 1824 O ARG A 132 15.673 -10.718 5.465 1.00 0.00 O ATOM 1825 CB ARG A 132 16.786 -10.234 2.362 1.00 0.00 C ATOM 1826 CG ARG A 132 16.716 -10.724 0.930 1.00 0.00 C ATOM 1827 CD ARG A 132 16.663 -12.245 0.830 1.00 0.00 C ATOM 1828 NE ARG A 132 15.436 -12.823 1.379 1.00 0.00 N ATOM 1829 CZ ARG A 132 15.387 -14.008 1.990 1.00 0.00 C ATOM 1830 NH1 ARG A 132 16.486 -14.749 2.106 1.00 0.00 N ATOM 1831 NH2 ARG A 132 14.234 -14.462 2.459 1.00 0.00 N ATOM 0 H ARG A 132 14.904 -8.763 1.765 1.00 0.00 H new ATOM 0 HA ARG A 132 15.058 -11.283 3.073 1.00 0.00 H new ATOM 0 HB2 ARG A 132 17.162 -9.211 2.364 1.00 0.00 H new ATOM 0 HB3 ARG A 132 17.510 -10.841 2.905 1.00 0.00 H new ATOM 0 HG2 ARG A 132 15.834 -10.301 0.448 1.00 0.00 H new ATOM 0 HG3 ARG A 132 17.584 -10.358 0.382 1.00 0.00 H new ATOM 0 HD2 ARG A 132 16.756 -12.536 -0.216 1.00 0.00 H new ATOM 0 HD3 ARG A 132 17.520 -12.666 1.355 1.00 0.00 H new ATOM 0 HE ARG A 132 14.571 -12.291 1.290 1.00 0.00 H new ATOM 0 HH11 ARG A 132 17.371 -14.412 1.727 1.00 0.00 H new ATOM 0 HH12 ARG A 132 16.444 -15.654 2.574 1.00 0.00 H new ATOM 0 HH21 ARG A 132 13.386 -13.906 2.353 1.00 0.00 H new ATOM 0 HH22 ARG A 132 14.195 -15.368 2.926 1.00 0.00 H new ATOM 1845 N GLN A 133 15.809 -8.573 4.796 1.00 0.00 N ATOM 1846 CA GLN A 133 15.997 -8.036 6.131 1.00 0.00 C ATOM 1847 C GLN A 133 14.651 -7.883 6.837 1.00 0.00 C ATOM 1848 O GLN A 133 14.543 -8.060 8.053 1.00 0.00 O ATOM 1849 CB GLN A 133 16.712 -6.687 6.044 1.00 0.00 C ATOM 1850 CG GLN A 133 16.899 -6.015 7.387 1.00 0.00 C ATOM 1851 CD GLN A 133 17.627 -4.691 7.288 1.00 0.00 C ATOM 1852 OE1 GLN A 133 18.454 -4.485 6.403 1.00 0.00 O ATOM 1853 NE2 GLN A 133 17.321 -3.782 8.198 1.00 0.00 N ATOM 0 H GLN A 133 15.799 -7.867 4.060 1.00 0.00 H new ATOM 0 HA GLN A 133 16.609 -8.726 6.711 1.00 0.00 H new ATOM 0 HB2 GLN A 133 17.688 -6.831 5.580 1.00 0.00 H new ATOM 0 HB3 GLN A 133 16.143 -6.025 5.391 1.00 0.00 H new ATOM 0 HG2 GLN A 133 15.923 -5.854 7.846 1.00 0.00 H new ATOM 0 HG3 GLN A 133 17.455 -6.681 8.046 1.00 0.00 H new ATOM 0 HE21 GLN A 133 16.628 -3.993 8.917 1.00 0.00 H new ATOM 0 HE22 GLN A 133 17.777 -2.870 8.181 1.00 0.00 H new ATOM 1862 N ALA A 134 13.624 -7.587 6.053 1.00 0.00 N ATOM 1863 CA ALA A 134 12.270 -7.404 6.567 1.00 0.00 C ATOM 1864 C ALA A 134 11.592 -8.744 6.843 1.00 0.00 C ATOM 1865 O ALA A 134 10.369 -8.818 6.959 1.00 0.00 O ATOM 1866 CB ALA A 134 11.441 -6.588 5.585 1.00 0.00 C ATOM 0 H ALA A 134 13.704 -7.467 5.043 1.00 0.00 H new ATOM 0 HA ALA A 134 12.341 -6.864 7.511 1.00 0.00 H new ATOM 0 HB1 ALA A 134 10.433 -6.458 5.980 1.00 0.00 H new ATOM 0 HB2 ALA A 134 11.903 -5.611 5.442 1.00 0.00 H new ATOM 0 HB3 ALA A 134 11.392 -7.109 4.629 1.00 0.00 H new ATOM 1872 N ALA A 135 12.389 -9.799 6.936 1.00 0.00 N ATOM 1873 CA ALA A 135 11.870 -11.125 7.236 1.00 0.00 C ATOM 1874 C ALA A 135 11.788 -11.344 8.740 1.00 0.00 C ATOM 1875 O ALA A 135 11.328 -12.385 9.204 1.00 0.00 O ATOM 1876 CB ALA A 135 12.734 -12.196 6.586 1.00 0.00 C ATOM 0 H ALA A 135 13.400 -9.762 6.808 1.00 0.00 H new ATOM 0 HA ALA A 135 10.863 -11.199 6.825 1.00 0.00 H new ATOM 0 HB1 ALA A 135 12.331 -13.181 6.821 1.00 0.00 H new ATOM 0 HB2 ALA A 135 12.738 -12.054 5.505 1.00 0.00 H new ATOM 0 HB3 ALA A 135 13.753 -12.121 6.965 1.00 0.00 H new ATOM 1882 N GLY A 136 12.255 -10.351 9.495 1.00 0.00 N ATOM 1883 CA GLY A 136 12.185 -10.410 10.945 1.00 0.00 C ATOM 1884 C GLY A 136 13.049 -11.510 11.526 1.00 0.00 C ATOM 1885 O GLY A 136 12.726 -12.060 12.579 1.00 0.00 O ATOM 0 H GLY A 136 12.683 -9.502 9.125 1.00 0.00 H new ATOM 0 HA2 GLY A 136 12.497 -9.451 11.359 1.00 0.00 H new ATOM 0 HA3 GLY A 136 11.150 -10.567 11.249 1.00 0.00 H new ATOM 1889 N ARG A 137 14.149 -11.817 10.834 1.00 0.00 N ATOM 1890 CA ARG A 137 15.063 -12.891 11.228 1.00 0.00 C ATOM 1891 C ARG A 137 14.320 -14.212 11.423 1.00 0.00 C ATOM 1892 O ARG A 137 13.890 -14.548 12.529 1.00 0.00 O ATOM 1893 CB ARG A 137 15.828 -12.530 12.508 1.00 0.00 C ATOM 1894 CG ARG A 137 16.691 -11.285 12.393 1.00 0.00 C ATOM 1895 CD ARG A 137 17.657 -11.385 11.226 1.00 0.00 C ATOM 1896 NE ARG A 137 18.438 -12.622 11.251 1.00 0.00 N ATOM 1897 CZ ARG A 137 19.237 -13.015 10.259 1.00 0.00 C ATOM 1898 NH1 ARG A 137 19.394 -12.249 9.185 1.00 0.00 N ATOM 1899 NH2 ARG A 137 19.880 -14.171 10.345 1.00 0.00 N ATOM 0 H ARG A 137 14.431 -11.328 9.985 1.00 0.00 H new ATOM 0 HA ARG A 137 15.780 -13.013 10.416 1.00 0.00 H new ATOM 0 HB2 ARG A 137 15.112 -12.387 13.317 1.00 0.00 H new ATOM 0 HB3 ARG A 137 16.461 -13.372 12.788 1.00 0.00 H new ATOM 0 HG2 ARG A 137 16.054 -10.410 12.266 1.00 0.00 H new ATOM 0 HG3 ARG A 137 17.249 -11.141 13.318 1.00 0.00 H new ATOM 0 HD2 ARG A 137 17.099 -11.330 10.291 1.00 0.00 H new ATOM 0 HD3 ARG A 137 18.334 -10.531 11.244 1.00 0.00 H new ATOM 0 HE ARG A 137 18.367 -13.218 12.075 1.00 0.00 H new ATOM 0 HH11 ARG A 137 18.903 -11.358 9.118 1.00 0.00 H new ATOM 0 HH12 ARG A 137 20.006 -12.552 8.427 1.00 0.00 H new ATOM 0 HH21 ARG A 137 19.763 -14.759 11.170 1.00 0.00 H new ATOM 0 HH22 ARG A 137 20.491 -14.472 9.586 1.00 0.00 H new ATOM 1913 N ILE A 138 14.182 -14.969 10.348 1.00 0.00 N ATOM 1914 CA ILE A 138 13.515 -16.262 10.414 1.00 0.00 C ATOM 1915 C ILE A 138 14.409 -17.354 9.840 1.00 0.00 C ATOM 1916 O ILE A 138 14.565 -18.421 10.430 1.00 0.00 O ATOM 1917 CB ILE A 138 12.152 -16.242 9.668 1.00 0.00 C ATOM 1918 CG1 ILE A 138 11.448 -17.599 9.781 1.00 0.00 C ATOM 1919 CG2 ILE A 138 12.323 -15.857 8.202 1.00 0.00 C ATOM 1920 CD1 ILE A 138 11.085 -17.984 11.199 1.00 0.00 C ATOM 0 H ILE A 138 14.521 -14.713 9.421 1.00 0.00 H new ATOM 0 HA ILE A 138 13.320 -16.476 11.465 1.00 0.00 H new ATOM 0 HB ILE A 138 11.530 -15.485 10.146 1.00 0.00 H new ATOM 0 HG12 ILE A 138 10.541 -17.578 9.177 1.00 0.00 H new ATOM 0 HG13 ILE A 138 12.094 -18.369 9.360 1.00 0.00 H new ATOM 0 HG21 ILE A 138 11.350 -15.853 7.711 1.00 0.00 H new ATOM 0 HG22 ILE A 138 12.767 -14.864 8.136 1.00 0.00 H new ATOM 0 HG23 ILE A 138 12.975 -16.579 7.710 1.00 0.00 H new ATOM 0 HD11 ILE A 138 10.591 -18.955 11.197 1.00 0.00 H new ATOM 0 HD12 ILE A 138 11.990 -18.038 11.804 1.00 0.00 H new ATOM 0 HD13 ILE A 138 10.413 -17.236 11.618 1.00 0.00 H new ATOM 1932 N GLU A 139 14.986 -17.079 8.684 1.00 0.00 N ATOM 1933 CA GLU A 139 15.841 -18.029 8.011 1.00 0.00 C ATOM 1934 C GLU A 139 17.308 -17.659 8.210 1.00 0.00 C ATOM 1935 O GLU A 139 17.660 -16.477 8.249 1.00 0.00 O ATOM 1936 CB GLU A 139 15.475 -18.077 6.526 1.00 0.00 C ATOM 1937 CG GLU A 139 15.730 -16.777 5.778 1.00 0.00 C ATOM 1938 CD GLU A 139 15.349 -16.867 4.316 1.00 0.00 C ATOM 1939 OE1 GLU A 139 14.158 -16.694 3.994 1.00 0.00 O ATOM 1940 OE2 GLU A 139 16.238 -17.111 3.475 1.00 0.00 O ATOM 0 H GLU A 139 14.873 -16.194 8.190 1.00 0.00 H new ATOM 0 HA GLU A 139 15.692 -19.021 8.438 1.00 0.00 H new ATOM 0 HB2 GLU A 139 16.044 -18.875 6.049 1.00 0.00 H new ATOM 0 HB3 GLU A 139 14.421 -18.337 6.431 1.00 0.00 H new ATOM 0 HG2 GLU A 139 15.164 -15.973 6.249 1.00 0.00 H new ATOM 0 HG3 GLU A 139 16.785 -16.515 5.860 1.00 0.00 H new ATOM 1947 N SER A 140 18.158 -18.663 8.345 1.00 0.00 N ATOM 1948 CA SER A 140 19.584 -18.436 8.518 1.00 0.00 C ATOM 1949 C SER A 140 20.261 -18.320 7.155 1.00 0.00 C ATOM 1950 O SER A 140 21.064 -19.169 6.770 1.00 0.00 O ATOM 1951 CB SER A 140 20.205 -19.574 9.339 1.00 0.00 C ATOM 1952 OG SER A 140 21.557 -19.293 9.679 1.00 0.00 O ATOM 0 H SER A 140 17.885 -19.646 8.338 1.00 0.00 H new ATOM 0 HA SER A 140 19.734 -17.502 9.060 1.00 0.00 H new ATOM 0 HB2 SER A 140 19.624 -19.727 10.249 1.00 0.00 H new ATOM 0 HB3 SER A 140 20.157 -20.503 8.770 1.00 0.00 H new ATOM 0 HG SER A 140 21.924 -20.036 10.203 1.00 0.00 H new ATOM 1958 N ILE A 141 19.920 -17.267 6.429 1.00 0.00 N ATOM 1959 CA ILE A 141 20.462 -17.043 5.098 1.00 0.00 C ATOM 1960 C ILE A 141 21.886 -16.483 5.178 1.00 0.00 C ATOM 1961 O ILE A 141 22.053 -15.282 5.478 1.00 0.00 O ATOM 1962 CB ILE A 141 19.540 -16.113 4.262 1.00 0.00 C ATOM 1963 CG1 ILE A 141 20.203 -15.727 2.934 1.00 0.00 C ATOM 1964 CG2 ILE A 141 19.137 -14.871 5.049 1.00 0.00 C ATOM 1965 CD1 ILE A 141 20.419 -16.898 2.000 1.00 0.00 C ATOM 1966 OXT ILE A 141 22.840 -17.260 4.957 1.00 0.00 O ATOM 0 H ILE A 141 19.266 -16.550 6.742 1.00 0.00 H new ATOM 0 HA ILE A 141 20.506 -18.005 4.588 1.00 0.00 H new ATOM 0 HB ILE A 141 18.631 -16.671 4.037 1.00 0.00 H new ATOM 0 HG12 ILE A 141 19.585 -14.982 2.432 1.00 0.00 H new ATOM 0 HG13 ILE A 141 21.164 -15.256 3.141 1.00 0.00 H new ATOM 0 HG21 ILE A 141 18.493 -14.243 4.433 1.00 0.00 H new ATOM 0 HG22 ILE A 141 18.600 -15.169 5.950 1.00 0.00 H new ATOM 0 HG23 ILE A 141 20.030 -14.311 5.327 1.00 0.00 H new ATOM 0 HD11 ILE A 141 20.892 -16.549 1.082 1.00 0.00 H new ATOM 0 HD12 ILE A 141 21.062 -17.634 2.482 1.00 0.00 H new ATOM 0 HD13 ILE A 141 19.459 -17.356 1.762 1.00 0.00 H new TER 1978 ILE A 141