USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 597 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 109 LYS NZ :NH3+ -169:sc= 1.93 (180deg=1.07) USER MOD Set 1.2: A 127 GLN : amide:sc= 2.26 K(o=4.2,f=-2.7) USER MOD Set 2.1: A 77 SER OG : rot 135:sc= 1.11 USER MOD Set 2.2: A 115 ASN : amide:sc= 0.24 X(o=1.3,f=1.1) USER MOD Set 3.1: A 55 SER OG : rot 161:sc= 0.301 USER MOD Set 3.2: A 57 THR OG1 : rot -48:sc= 1.26 USER MOD Single : A 56 ASN : amide:sc= 0.951 K(o=0.95,f=-0.35) USER MOD Single : A 64 ASN : amide:sc= 0.442 X(o=0.44,f=-0.00013) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= 0.0438 K(o=0.044,f=-4.9!) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.167 USER MOD Single : A 71 ASN : amide:sc= -0.0347 X(o=-0.035,f=-0.43) USER MOD Single : A 79 HIS : no HD1:sc= -7.12! C(o=-7.1!,f=-6.6!) USER MOD Single : A 81 CYS SG : rot 180:sc= -0.348 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ -156:sc= 1.29 (180deg=1.04) USER MOD Single : A 87 LYS NZ :NH3+ -151:sc= 0.623 (180deg=-0.644) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 CYS SG : rot 180:sc= -0.0197 USER MOD Single : A 96 CYS SG : rot 180:sc= 0 USER MOD Single : A 103 HIS : +bothHN:sc= 0.725 K(o=0.73,f=-9!) USER MOD Single : A 105 HIS :FLIP no HD1:sc= -6.47! C(o=-8.6!,f=-6.5!) USER MOD Single : A 106 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000976) USER MOD Single : A 108 LYS NZ :NH3+ 153:sc= 0.292 (180deg=0.167) USER MOD Single : A 116 THR OG1 : rot -150:sc= -0.708 USER MOD Single : A 120 SER OG : rot -34:sc= 0.294 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 55 -13.001 7.509 2.733 1.00 0.00 N ATOM 2 CA SER A 55 -12.769 7.032 1.368 1.00 0.00 C ATOM 3 C SER A 55 -12.869 5.540 1.315 1.00 0.00 C ATOM 4 O SER A 55 -13.226 4.889 2.295 1.00 0.00 O ATOM 5 CB SER A 55 -11.360 7.433 0.892 1.00 0.00 C ATOM 6 OG SER A 55 -11.290 7.399 -0.531 1.00 0.00 O ATOM 0 HA SER A 55 -13.524 7.482 0.724 1.00 0.00 H new ATOM 0 HB2 SER A 55 -11.119 8.434 1.251 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.619 6.755 1.316 1.00 0.00 H new ATOM 0 HG SER A 55 -10.524 7.931 -0.834 1.00 0.00 H new ATOM 14 N ASN A 56 -12.566 4.976 0.135 1.00 0.00 N ATOM 15 CA ASN A 56 -12.478 3.555 -0.010 1.00 0.00 C ATOM 16 C ASN A 56 -11.457 3.306 -1.077 1.00 0.00 C ATOM 17 O ASN A 56 -11.392 2.232 -1.673 1.00 0.00 O ATOM 18 CB ASN A 56 -13.824 2.919 -0.390 1.00 0.00 C ATOM 19 CG ASN A 56 -13.747 1.421 -0.116 1.00 0.00 C ATOM 20 OD1 ASN A 56 -13.577 0.991 1.025 1.00 0.00 O ATOM 21 ND2 ASN A 56 -13.860 0.601 -1.193 1.00 0.00 N ATOM 0 H ASN A 56 -12.382 5.502 -0.720 1.00 0.00 H new ATOM 0 HA ASN A 56 -12.195 3.099 0.939 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -14.632 3.369 0.188 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -14.045 3.101 -1.442 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -13.805 -0.410 -1.072 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -14.000 0.997 -2.123 1.00 0.00 H new ATOM 28 N THR A 57 -10.583 4.307 -1.296 1.00 0.00 N ATOM 29 CA THR A 57 -9.630 4.230 -2.363 1.00 0.00 C ATOM 30 C THR A 57 -8.301 4.620 -1.798 1.00 0.00 C ATOM 31 O THR A 57 -8.193 5.576 -1.031 1.00 0.00 O ATOM 32 CB THR A 57 -9.963 5.167 -3.536 1.00 0.00 C ATOM 33 OG1 THR A 57 -9.899 6.528 -3.125 1.00 0.00 O ATOM 34 CG2 THR A 57 -11.385 4.985 -4.077 1.00 0.00 C ATOM 0 H THR A 57 -10.535 5.161 -0.741 1.00 0.00 H new ATOM 0 HA THR A 57 -9.637 3.214 -2.758 1.00 0.00 H new ATOM 0 HB THR A 57 -9.231 4.916 -4.303 1.00 0.00 H new ATOM 0 HG1 THR A 57 -10.391 6.639 -2.285 1.00 0.00 H new ATOM 0 HG21 THR A 57 -11.552 5.677 -4.902 1.00 0.00 H new ATOM 0 HG22 THR A 57 -11.512 3.962 -4.430 1.00 0.00 H new ATOM 0 HG23 THR A 57 -12.105 5.187 -3.284 1.00 0.00 H new ATOM 42 N ILE A 58 -7.245 3.875 -2.172 1.00 0.00 N ATOM 43 CA ILE A 58 -5.917 4.252 -1.786 1.00 0.00 C ATOM 44 C ILE A 58 -5.056 4.044 -2.985 1.00 0.00 C ATOM 45 O ILE A 58 -5.396 3.268 -3.876 1.00 0.00 O ATOM 46 CB ILE A 58 -5.337 3.450 -0.610 1.00 0.00 C ATOM 47 CG1 ILE A 58 -6.405 2.709 0.204 1.00 0.00 C ATOM 48 CG2 ILE A 58 -4.408 4.286 0.296 1.00 0.00 C ATOM 49 CD1 ILE A 58 -5.824 1.792 1.284 1.00 0.00 C ATOM 0 H ILE A 58 -7.306 3.025 -2.732 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.949 5.285 -1.441 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.715 2.685 -1.075 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.063 3.439 0.675 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -7.019 2.116 -0.473 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.032 3.662 1.107 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.570 4.662 -0.291 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.965 5.125 0.713 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.636 1.301 1.820 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -5.189 1.039 0.818 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.233 2.383 1.984 1.00 0.00 H new ATOM 61 N ARG A 59 -3.918 4.757 -3.056 1.00 0.00 N ATOM 62 CA ARG A 59 -3.114 4.686 -4.234 1.00 0.00 C ATOM 63 C ARG A 59 -1.888 3.928 -3.890 1.00 0.00 C ATOM 64 O ARG A 59 -1.389 4.024 -2.779 1.00 0.00 O ATOM 65 CB ARG A 59 -2.749 6.074 -4.739 1.00 0.00 C ATOM 66 CG ARG A 59 -3.966 6.842 -5.252 1.00 0.00 C ATOM 67 CD ARG A 59 -4.242 8.147 -4.497 1.00 0.00 C ATOM 68 NE ARG A 59 -5.675 8.503 -4.722 1.00 0.00 N ATOM 69 CZ ARG A 59 -6.664 7.891 -4.010 1.00 0.00 C ATOM 70 NH1 ARG A 59 -6.405 7.310 -2.821 1.00 0.00 N ATOM 71 NH2 ARG A 59 -7.961 8.100 -4.333 1.00 0.00 N ATOM 0 H ARG A 59 -3.562 5.366 -2.320 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.668 4.191 -5.031 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.278 6.639 -3.934 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.014 5.986 -5.539 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -3.821 7.069 -6.308 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -4.844 6.200 -5.181 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -4.040 8.024 -3.433 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -3.589 8.943 -4.855 1.00 0.00 H new ATOM 0 HE ARG A 59 -5.916 9.211 -5.415 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -5.458 7.324 -2.442 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -7.156 6.856 -2.301 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -8.200 8.716 -5.110 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -8.700 7.642 -3.800 1.00 0.00 H new ATOM 85 N VAL A 60 -1.397 3.132 -4.852 1.00 0.00 N ATOM 86 CA VAL A 60 -0.246 2.315 -4.603 1.00 0.00 C ATOM 87 C VAL A 60 0.808 2.736 -5.569 1.00 0.00 C ATOM 88 O VAL A 60 0.672 2.544 -6.776 1.00 0.00 O ATOM 89 CB VAL A 60 -0.487 0.809 -4.771 1.00 0.00 C ATOM 90 CG1 VAL A 60 0.638 -0.053 -4.184 1.00 0.00 C ATOM 91 CG2 VAL A 60 -1.827 0.340 -4.186 1.00 0.00 C ATOM 0 H VAL A 60 -1.787 3.051 -5.791 1.00 0.00 H new ATOM 0 HA VAL A 60 0.037 2.459 -3.560 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.509 0.668 -5.852 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.406 -1.107 -4.336 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.578 0.187 -4.682 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.731 0.148 -3.117 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.935 -0.734 -4.338 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.855 0.560 -3.119 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.644 0.861 -4.685 1.00 0.00 H new ATOM 101 N PHE A 61 1.905 3.297 -5.034 1.00 0.00 N ATOM 102 CA PHE A 61 2.995 3.721 -5.861 1.00 0.00 C ATOM 103 C PHE A 61 3.997 2.610 -5.855 1.00 0.00 C ATOM 104 O PHE A 61 4.221 1.961 -4.832 1.00 0.00 O ATOM 105 CB PHE A 61 3.665 4.997 -5.337 1.00 0.00 C ATOM 106 CG PHE A 61 2.878 6.167 -5.830 1.00 0.00 C ATOM 107 CD1 PHE A 61 1.583 6.411 -5.357 1.00 0.00 C ATOM 108 CD2 PHE A 61 3.437 7.090 -6.702 1.00 0.00 C ATOM 109 CE1 PHE A 61 0.887 7.541 -5.738 1.00 0.00 C ATOM 110 CE2 PHE A 61 2.746 8.234 -7.064 1.00 0.00 C ATOM 111 CZ PHE A 61 1.472 8.459 -6.587 1.00 0.00 C ATOM 0 H PHE A 61 2.040 3.457 -4.036 1.00 0.00 H new ATOM 0 HA PHE A 61 2.621 3.945 -6.860 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.697 4.991 -4.247 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.696 5.057 -5.686 1.00 0.00 H new ATOM 0 HD1 PHE A 61 1.121 5.704 -4.684 1.00 0.00 H new ATOM 0 HD2 PHE A 61 4.424 6.914 -7.104 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.115 7.707 -5.372 1.00 0.00 H new ATOM 0 HE2 PHE A 61 3.207 8.954 -7.724 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.934 9.350 -6.876 1.00 0.00 H new ATOM 121 N LEU A 62 4.635 2.353 -7.015 1.00 0.00 N ATOM 122 CA LEU A 62 5.423 1.161 -7.143 1.00 0.00 C ATOM 123 C LEU A 62 6.832 1.498 -6.752 1.00 0.00 C ATOM 124 O LEU A 62 7.235 2.663 -6.718 1.00 0.00 O ATOM 125 CB LEU A 62 5.423 0.577 -8.567 1.00 0.00 C ATOM 126 CG LEU A 62 4.174 -0.248 -8.894 1.00 0.00 C ATOM 127 CD1 LEU A 62 4.253 -1.694 -8.393 1.00 0.00 C ATOM 128 CD2 LEU A 62 2.878 0.392 -8.392 1.00 0.00 C ATOM 0 H LEU A 62 4.609 2.950 -7.842 1.00 0.00 H new ATOM 0 HA LEU A 62 4.985 0.401 -6.496 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.507 1.393 -9.285 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.305 -0.050 -8.693 1.00 0.00 H new ATOM 0 HG LEU A 62 4.149 -0.264 -9.984 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.337 -2.221 -8.658 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.105 -2.193 -8.855 1.00 0.00 H new ATOM 0 HD13 LEU A 62 4.374 -1.698 -7.310 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.032 -0.243 -8.656 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.923 0.504 -7.309 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.754 1.372 -8.853 1.00 0.00 H new ATOM 140 N PRO A 63 7.595 0.420 -6.606 1.00 0.00 N ATOM 141 CA PRO A 63 8.973 0.762 -6.324 1.00 0.00 C ATOM 142 C PRO A 63 9.598 1.016 -7.677 1.00 0.00 C ATOM 143 O PRO A 63 10.746 1.443 -7.769 1.00 0.00 O ATOM 144 CB PRO A 63 9.559 -0.494 -5.723 1.00 0.00 C ATOM 145 CG PRO A 63 8.384 -1.269 -5.138 1.00 0.00 C ATOM 146 CD PRO A 63 7.127 -0.673 -5.772 1.00 0.00 C ATOM 0 HA PRO A 63 9.116 1.619 -5.665 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.077 -1.083 -6.480 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.290 -0.253 -4.951 1.00 0.00 H new ATOM 0 HG2 PRO A 63 8.468 -2.332 -5.363 1.00 0.00 H new ATOM 0 HG3 PRO A 63 8.356 -1.174 -4.053 1.00 0.00 H new ATOM 0 HD2 PRO A 63 6.595 -1.418 -6.363 1.00 0.00 H new ATOM 0 HD3 PRO A 63 6.434 -0.316 -5.010 1.00 0.00 H new ATOM 154 N ASN A 64 8.825 0.822 -8.768 1.00 0.00 N ATOM 155 CA ASN A 64 9.279 1.202 -10.074 1.00 0.00 C ATOM 156 C ASN A 64 8.829 2.623 -10.303 1.00 0.00 C ATOM 157 O ASN A 64 8.805 3.103 -11.435 1.00 0.00 O ATOM 158 CB ASN A 64 8.689 0.304 -11.179 1.00 0.00 C ATOM 159 CG ASN A 64 9.732 0.136 -12.280 1.00 0.00 C ATOM 160 OD1 ASN A 64 10.401 -0.891 -12.367 1.00 0.00 O ATOM 161 ND2 ASN A 64 9.863 1.167 -13.155 1.00 0.00 N ATOM 0 H ASN A 64 7.894 0.406 -8.745 1.00 0.00 H new ATOM 0 HA ASN A 64 10.363 1.099 -10.120 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.412 -0.667 -10.769 1.00 0.00 H new ATOM 0 HB3 ASN A 64 7.780 0.750 -11.584 1.00 0.00 H new ATOM 0 HD21 ASN A 64 10.536 1.105 -13.919 1.00 0.00 H new ATOM 0 HD22 ASN A 64 9.288 2.003 -13.048 1.00 0.00 H new ATOM 168 N LYS A 65 8.380 3.292 -9.215 1.00 0.00 N ATOM 169 CA LYS A 65 8.069 4.696 -9.259 1.00 0.00 C ATOM 170 C LYS A 65 6.705 4.854 -9.855 1.00 0.00 C ATOM 171 O LYS A 65 6.246 5.970 -10.099 1.00 0.00 O ATOM 172 CB LYS A 65 9.075 5.575 -10.014 1.00 0.00 C ATOM 173 CG LYS A 65 10.534 5.268 -9.663 1.00 0.00 C ATOM 174 CD LYS A 65 11.008 5.941 -8.369 1.00 0.00 C ATOM 175 CE LYS A 65 12.201 5.235 -7.719 1.00 0.00 C ATOM 176 NZ LYS A 65 12.600 5.943 -6.507 1.00 0.00 N ATOM 0 H LYS A 65 8.232 2.858 -8.304 1.00 0.00 H new ATOM 0 HA LYS A 65 8.116 5.052 -8.230 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.931 5.441 -11.086 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.869 6.622 -9.793 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.657 4.189 -9.568 1.00 0.00 H new ATOM 0 HG3 LYS A 65 11.173 5.590 -10.485 1.00 0.00 H new ATOM 0 HD2 LYS A 65 11.280 6.974 -8.584 1.00 0.00 H new ATOM 0 HD3 LYS A 65 10.181 5.970 -7.659 1.00 0.00 H new ATOM 0 HE2 LYS A 65 11.938 4.205 -7.478 1.00 0.00 H new ATOM 0 HE3 LYS A 65 13.036 5.195 -8.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 13.410 5.457 -6.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 12.869 6.918 -6.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.805 5.959 -5.836 1.00 0.00 H new ATOM 190 N GLN A 66 5.991 3.727 -10.046 1.00 0.00 N ATOM 191 CA GLN A 66 4.723 3.779 -10.712 1.00 0.00 C ATOM 192 C GLN A 66 3.668 4.061 -9.701 1.00 0.00 C ATOM 193 O GLN A 66 3.958 4.457 -8.577 1.00 0.00 O ATOM 194 CB GLN A 66 4.354 2.521 -11.510 1.00 0.00 C ATOM 195 CG GLN A 66 4.308 2.749 -13.020 1.00 0.00 C ATOM 196 CD GLN A 66 2.854 2.699 -13.463 1.00 0.00 C ATOM 197 OE1 GLN A 66 2.341 1.647 -13.843 1.00 0.00 O ATOM 198 NE2 GLN A 66 2.138 3.844 -13.337 1.00 0.00 N ATOM 0 H GLN A 66 6.284 2.797 -9.746 1.00 0.00 H new ATOM 0 HA GLN A 66 4.800 4.573 -11.455 1.00 0.00 H new ATOM 0 HB2 GLN A 66 5.078 1.736 -11.291 1.00 0.00 H new ATOM 0 HB3 GLN A 66 3.381 2.160 -11.175 1.00 0.00 H new ATOM 0 HG2 GLN A 66 4.750 3.713 -13.273 1.00 0.00 H new ATOM 0 HG3 GLN A 66 4.890 1.986 -13.538 1.00 0.00 H new ATOM 0 HE21 GLN A 66 2.595 4.699 -13.019 1.00 0.00 H new ATOM 0 HE22 GLN A 66 1.143 3.850 -13.560 1.00 0.00 H new ATOM 207 N ARG A 67 2.402 3.944 -10.135 1.00 0.00 N ATOM 208 CA ARG A 67 1.306 4.358 -9.317 1.00 0.00 C ATOM 209 C ARG A 67 0.074 3.705 -9.853 1.00 0.00 C ATOM 210 O ARG A 67 0.074 3.176 -10.966 1.00 0.00 O ATOM 211 CB ARG A 67 1.098 5.874 -9.332 1.00 0.00 C ATOM 212 CG ARG A 67 1.170 6.491 -10.730 1.00 0.00 C ATOM 213 CD ARG A 67 2.538 7.097 -11.053 1.00 0.00 C ATOM 214 NE ARG A 67 2.744 6.979 -12.528 1.00 0.00 N ATOM 215 CZ ARG A 67 3.972 7.186 -13.076 1.00 0.00 C ATOM 216 NH1 ARG A 67 5.075 7.262 -12.305 1.00 0.00 N ATOM 217 NH2 ARG A 67 4.125 7.159 -14.419 1.00 0.00 N ATOM 0 H ARG A 67 2.138 3.566 -11.045 1.00 0.00 H new ATOM 0 HA ARG A 67 1.518 4.069 -8.287 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.127 6.103 -8.893 1.00 0.00 H new ATOM 0 HB3 ARG A 67 1.852 6.342 -8.699 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.935 5.726 -11.470 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.407 7.265 -10.818 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.578 8.141 -10.743 1.00 0.00 H new ATOM 0 HD3 ARG A 67 3.327 6.573 -10.513 1.00 0.00 H new ATOM 0 HE ARG A 67 1.956 6.741 -13.130 1.00 0.00 H new ATOM 0 HH11 ARG A 67 4.997 7.164 -11.293 1.00 0.00 H new ATOM 0 HH12 ARG A 67 5.987 7.418 -12.734 1.00 0.00 H new ATOM 0 HH21 ARG A 67 3.320 6.984 -15.021 1.00 0.00 H new ATOM 0 HH22 ARG A 67 5.045 7.314 -14.831 1.00 0.00 H new ATOM 231 N THR A 68 -0.998 3.738 -9.040 1.00 0.00 N ATOM 232 CA THR A 68 -2.268 3.207 -9.443 1.00 0.00 C ATOM 233 C THR A 68 -3.184 3.394 -8.276 1.00 0.00 C ATOM 234 O THR A 68 -2.733 3.726 -7.181 1.00 0.00 O ATOM 235 CB THR A 68 -2.257 1.721 -9.849 1.00 0.00 C ATOM 236 OG1 THR A 68 -3.525 1.339 -10.366 1.00 0.00 O ATOM 237 CG2 THR A 68 -1.844 0.762 -8.723 1.00 0.00 C ATOM 0 H THR A 68 -0.987 4.134 -8.100 1.00 0.00 H new ATOM 0 HA THR A 68 -2.584 3.736 -10.342 1.00 0.00 H new ATOM 0 HB THR A 68 -1.491 1.634 -10.619 1.00 0.00 H new ATOM 0 HG1 THR A 68 -3.503 0.393 -10.621 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.863 -0.263 -9.093 1.00 0.00 H new ATOM 0 HG22 THR A 68 -0.837 1.008 -8.387 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.539 0.859 -7.889 1.00 0.00 H new ATOM 245 N VAL A 69 -4.499 3.198 -8.488 1.00 0.00 N ATOM 246 CA VAL A 69 -5.430 3.326 -7.406 1.00 0.00 C ATOM 247 C VAL A 69 -6.041 1.984 -7.186 1.00 0.00 C ATOM 248 O VAL A 69 -6.305 1.241 -8.130 1.00 0.00 O ATOM 249 CB VAL A 69 -6.532 4.368 -7.635 1.00 0.00 C ATOM 250 CG1 VAL A 69 -7.162 4.303 -9.031 1.00 0.00 C ATOM 251 CG2 VAL A 69 -7.606 4.401 -6.529 1.00 0.00 C ATOM 0 H VAL A 69 -4.912 2.956 -9.388 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.879 3.683 -6.536 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.004 5.319 -7.575 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.932 5.069 -9.119 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.394 4.473 -9.785 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.609 3.320 -9.183 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.348 5.163 -6.765 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.093 3.428 -6.466 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -7.137 4.635 -5.573 1.00 0.00 H new ATOM 261 N VAL A 70 -6.274 1.657 -5.905 1.00 0.00 N ATOM 262 CA VAL A 70 -6.859 0.397 -5.560 1.00 0.00 C ATOM 263 C VAL A 70 -7.992 0.681 -4.629 1.00 0.00 C ATOM 264 O VAL A 70 -8.065 1.751 -4.023 1.00 0.00 O ATOM 265 CB VAL A 70 -5.873 -0.561 -4.878 1.00 0.00 C ATOM 266 CG1 VAL A 70 -4.738 -1.012 -5.800 1.00 0.00 C ATOM 267 CG2 VAL A 70 -5.252 0.001 -3.586 1.00 0.00 C ATOM 0 H VAL A 70 -6.060 2.259 -5.110 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.183 -0.097 -6.476 1.00 0.00 H new ATOM 0 HB VAL A 70 -6.494 -1.419 -4.621 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.076 -1.687 -5.258 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -5.155 -1.529 -6.664 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.174 -0.142 -6.135 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.567 -0.733 -3.162 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.707 0.917 -3.813 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.042 0.217 -2.867 1.00 0.00 H new ATOM 277 N ASN A 71 -8.909 -0.295 -4.493 1.00 0.00 N ATOM 278 CA ASN A 71 -10.036 -0.123 -3.625 1.00 0.00 C ATOM 279 C ASN A 71 -9.915 -1.155 -2.550 1.00 0.00 C ATOM 280 O ASN A 71 -9.369 -2.236 -2.770 1.00 0.00 O ATOM 281 CB ASN A 71 -11.379 -0.352 -4.339 1.00 0.00 C ATOM 282 CG ASN A 71 -11.714 0.895 -5.149 1.00 0.00 C ATOM 283 OD1 ASN A 71 -12.551 1.704 -4.747 1.00 0.00 O ATOM 284 ND2 ASN A 71 -11.086 1.034 -6.346 1.00 0.00 N ATOM 0 H ASN A 71 -8.873 -1.192 -4.977 1.00 0.00 H new ATOM 0 HA ASN A 71 -10.030 0.901 -3.250 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -11.317 -1.223 -4.992 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -12.165 -0.554 -3.612 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -11.302 1.830 -6.946 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -10.398 0.342 -6.644 1.00 0.00 H new ATOM 291 N VAL A 72 -10.449 -0.839 -1.356 1.00 0.00 N ATOM 292 CA VAL A 72 -10.424 -1.779 -0.273 1.00 0.00 C ATOM 293 C VAL A 72 -11.781 -2.414 -0.213 1.00 0.00 C ATOM 294 O VAL A 72 -12.776 -1.842 -0.655 1.00 0.00 O ATOM 295 CB VAL A 72 -10.090 -1.115 1.073 1.00 0.00 C ATOM 296 CG1 VAL A 72 -10.251 -2.045 2.284 1.00 0.00 C ATOM 297 CG2 VAL A 72 -8.653 -0.573 1.124 1.00 0.00 C ATOM 0 H VAL A 72 -10.893 0.054 -1.140 1.00 0.00 H new ATOM 0 HA VAL A 72 -9.641 -2.516 -0.451 1.00 0.00 H new ATOM 0 HB VAL A 72 -10.816 -0.304 1.136 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -9.997 -1.503 3.195 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -11.283 -2.390 2.343 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -9.587 -2.903 2.175 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -8.471 -0.115 2.096 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -7.950 -1.392 0.971 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -8.517 0.173 0.341 1.00 0.00 H new ATOM 369 N SER A 77 -6.475 -6.668 3.921 1.00 0.00 N ATOM 370 CA SER A 77 -5.254 -6.286 4.564 1.00 0.00 C ATOM 371 C SER A 77 -4.484 -5.489 3.595 1.00 0.00 C ATOM 372 O SER A 77 -4.783 -5.577 2.430 1.00 0.00 O ATOM 373 CB SER A 77 -4.314 -7.465 4.765 1.00 0.00 C ATOM 374 OG SER A 77 -4.972 -8.515 5.460 1.00 0.00 O ATOM 0 HA SER A 77 -5.531 -5.805 5.502 1.00 0.00 H new ATOM 0 HB2 SER A 77 -3.962 -7.826 3.798 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.435 -7.145 5.325 1.00 0.00 H new ATOM 0 HG SER A 77 -4.779 -9.369 5.020 1.00 0.00 H new ATOM 380 N LEU A 78 -3.305 -5.022 4.053 1.00 0.00 N ATOM 381 CA LEU A 78 -2.303 -4.473 3.189 1.00 0.00 C ATOM 382 C LEU A 78 -1.892 -5.531 2.203 1.00 0.00 C ATOM 383 O LEU A 78 -1.909 -5.307 1.004 1.00 0.00 O ATOM 384 CB LEU A 78 -1.077 -4.108 4.029 1.00 0.00 C ATOM 385 CG LEU A 78 -0.889 -2.607 4.215 1.00 0.00 C ATOM 386 CD1 LEU A 78 -0.660 -1.880 2.939 1.00 0.00 C ATOM 387 CD2 LEU A 78 -2.147 -1.874 4.642 1.00 0.00 C ATOM 0 H LEU A 78 -3.044 -5.026 5.039 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.692 -3.594 2.675 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.165 -4.579 5.008 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.186 -4.521 3.555 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.069 -2.594 4.933 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.534 -0.817 3.144 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.238 -2.266 2.457 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.516 -2.024 2.280 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.929 -0.812 4.753 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.921 -2.009 3.886 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -2.496 -2.274 5.594 1.00 0.00 H new ATOM 399 N HIS A 79 -1.495 -6.715 2.706 1.00 0.00 N ATOM 400 CA HIS A 79 -0.993 -7.763 1.863 1.00 0.00 C ATOM 401 C HIS A 79 -2.071 -8.150 0.889 1.00 0.00 C ATOM 402 O HIS A 79 -1.845 -8.132 -0.301 1.00 0.00 O ATOM 403 CB HIS A 79 -0.643 -9.013 2.683 1.00 0.00 C ATOM 404 CG HIS A 79 0.829 -9.191 2.919 1.00 0.00 C ATOM 405 ND1 HIS A 79 1.306 -9.997 3.915 1.00 0.00 N ATOM 406 CD2 HIS A 79 1.901 -8.810 2.185 1.00 0.00 C ATOM 407 CE1 HIS A 79 2.625 -10.038 3.829 1.00 0.00 C ATOM 408 NE2 HIS A 79 3.009 -9.363 2.760 1.00 0.00 N ATOM 0 H HIS A 79 -1.521 -6.949 3.698 1.00 0.00 H new ATOM 0 HA HIS A 79 -0.098 -7.399 1.358 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -1.152 -8.959 3.645 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -1.028 -9.893 2.168 1.00 0.00 H new ATOM 0 HD2 HIS A 79 1.883 -8.183 1.306 1.00 0.00 H new ATOM 0 HE1 HIS A 79 3.283 -10.542 4.521 1.00 0.00 H new ATOM 0 HE2 HIS A 79 3.967 -9.271 2.423 1.00 0.00 H new ATOM 417 N ASP A 80 -3.296 -8.438 1.378 1.00 0.00 N ATOM 418 CA ASP A 80 -4.335 -8.936 0.514 1.00 0.00 C ATOM 419 C ASP A 80 -4.756 -7.820 -0.406 1.00 0.00 C ATOM 420 O ASP A 80 -5.275 -8.059 -1.493 1.00 0.00 O ATOM 421 CB ASP A 80 -5.579 -9.387 1.291 1.00 0.00 C ATOM 422 CG ASP A 80 -5.149 -10.433 2.309 1.00 0.00 C ATOM 423 OD1 ASP A 80 -4.830 -11.573 1.886 1.00 0.00 O ATOM 424 OD2 ASP A 80 -5.097 -10.080 3.520 1.00 0.00 O ATOM 0 H ASP A 80 -3.567 -8.329 2.355 1.00 0.00 H new ATOM 0 HA ASP A 80 -3.935 -9.796 -0.023 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -6.043 -8.537 1.792 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.323 -9.802 0.611 1.00 0.00 H new ATOM 429 N CYS A 81 -4.505 -6.572 0.024 1.00 0.00 N ATOM 430 CA CYS A 81 -4.894 -5.417 -0.731 1.00 0.00 C ATOM 431 C CYS A 81 -3.886 -5.226 -1.834 1.00 0.00 C ATOM 432 O CYS A 81 -4.223 -4.878 -2.963 1.00 0.00 O ATOM 433 CB CYS A 81 -4.807 -4.210 0.215 1.00 0.00 C ATOM 434 SG CYS A 81 -5.192 -2.662 -0.677 1.00 0.00 S ATOM 0 H CYS A 81 -4.029 -6.359 0.901 1.00 0.00 H new ATOM 0 HA CYS A 81 -5.897 -5.525 -1.144 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -5.502 -4.340 1.044 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -3.807 -4.149 0.644 1.00 0.00 H new ATOM 0 HG CYS A 81 -5.114 -1.657 0.144 1.00 0.00 H new ATOM 440 N LEU A 82 -2.600 -5.396 -1.496 1.00 0.00 N ATOM 441 CA LEU A 82 -1.537 -4.991 -2.375 1.00 0.00 C ATOM 442 C LEU A 82 -1.205 -6.142 -3.238 1.00 0.00 C ATOM 443 O LEU A 82 -0.822 -5.971 -4.385 1.00 0.00 O ATOM 444 CB LEU A 82 -0.275 -4.707 -1.575 1.00 0.00 C ATOM 445 CG LEU A 82 -0.356 -3.434 -0.740 1.00 0.00 C ATOM 446 CD1 LEU A 82 0.762 -2.433 -1.046 1.00 0.00 C ATOM 447 CD2 LEU A 82 -1.680 -2.685 -0.888 1.00 0.00 C ATOM 0 H LEU A 82 -2.289 -5.812 -0.618 1.00 0.00 H new ATOM 0 HA LEU A 82 -1.855 -4.110 -2.932 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.075 -5.552 -0.916 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.570 -4.629 -2.260 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.256 -3.807 0.279 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.643 -1.551 -0.416 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.729 -2.895 -0.845 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.711 -2.140 -2.095 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.664 -1.791 -0.265 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.821 -2.399 -1.930 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.500 -3.331 -0.575 1.00 0.00 H new ATOM 459 N MET A 83 -1.326 -7.345 -2.665 1.00 0.00 N ATOM 460 CA MET A 83 -1.126 -8.567 -3.386 1.00 0.00 C ATOM 461 C MET A 83 -2.037 -8.556 -4.566 1.00 0.00 C ATOM 462 O MET A 83 -1.723 -9.190 -5.554 1.00 0.00 O ATOM 463 CB MET A 83 -1.566 -9.687 -2.449 1.00 0.00 C ATOM 464 CG MET A 83 -1.857 -11.015 -3.133 1.00 0.00 C ATOM 465 SD MET A 83 -0.293 -11.824 -3.599 1.00 0.00 S ATOM 466 CE MET A 83 -0.954 -13.289 -4.453 1.00 0.00 C ATOM 0 H MET A 83 -1.567 -7.478 -1.683 1.00 0.00 H new ATOM 0 HA MET A 83 -0.093 -8.692 -3.710 1.00 0.00 H new ATOM 0 HB2 MET A 83 -0.788 -9.842 -1.701 1.00 0.00 H new ATOM 0 HB3 MET A 83 -2.461 -9.365 -1.916 1.00 0.00 H new ATOM 0 HG2 MET A 83 -2.427 -11.661 -2.465 1.00 0.00 H new ATOM 0 HG3 MET A 83 -2.471 -10.852 -4.019 1.00 0.00 H new ATOM 0 HE1 MET A 83 -0.129 -13.906 -4.809 1.00 0.00 H new ATOM 0 HE2 MET A 83 -1.567 -13.867 -3.762 1.00 0.00 H new ATOM 0 HE3 MET A 83 -1.563 -12.973 -5.300 1.00 0.00 H new ATOM 476 N LYS A 84 -3.139 -7.796 -4.453 1.00 0.00 N ATOM 477 CA LYS A 84 -4.081 -7.672 -5.513 1.00 0.00 C ATOM 478 C LYS A 84 -3.540 -6.689 -6.527 1.00 0.00 C ATOM 479 O LYS A 84 -3.672 -6.908 -7.724 1.00 0.00 O ATOM 480 CB LYS A 84 -5.357 -7.220 -4.847 1.00 0.00 C ATOM 481 CG LYS A 84 -5.963 -5.943 -5.402 1.00 0.00 C ATOM 482 CD LYS A 84 -6.964 -5.357 -4.427 1.00 0.00 C ATOM 483 CE LYS A 84 -8.267 -4.898 -5.082 1.00 0.00 C ATOM 484 NZ LYS A 84 -9.274 -4.639 -4.057 1.00 0.00 N ATOM 0 H LYS A 84 -3.377 -7.263 -3.617 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.267 -8.594 -6.064 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -6.094 -8.019 -4.932 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -5.162 -7.078 -3.784 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -5.175 -5.217 -5.601 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -6.453 -6.151 -6.353 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -7.194 -6.102 -3.665 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -6.507 -4.509 -3.916 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -8.092 -3.996 -5.668 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -8.626 -5.662 -5.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -10.223 -4.728 -4.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -9.168 -5.327 -3.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -9.149 -3.677 -3.683 1.00 0.00 H new ATOM 498 N ALA A 85 -2.872 -5.615 -6.049 1.00 0.00 N ATOM 499 CA ALA A 85 -2.346 -4.599 -6.935 1.00 0.00 C ATOM 500 C ALA A 85 -1.194 -5.180 -7.694 1.00 0.00 C ATOM 501 O ALA A 85 -1.015 -4.918 -8.878 1.00 0.00 O ATOM 502 CB ALA A 85 -1.757 -3.520 -6.002 1.00 0.00 C ATOM 0 H ALA A 85 -2.695 -5.446 -5.059 1.00 0.00 H new ATOM 0 HA ALA A 85 -3.106 -4.222 -7.620 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -1.337 -2.712 -6.600 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.544 -3.125 -5.360 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -0.973 -3.960 -5.386 1.00 0.00 H new ATOM 508 N LEU A 86 -0.336 -5.929 -6.986 1.00 0.00 N ATOM 509 CA LEU A 86 0.898 -6.391 -7.549 1.00 0.00 C ATOM 510 C LEU A 86 0.617 -7.671 -8.210 1.00 0.00 C ATOM 511 O LEU A 86 1.416 -8.159 -8.986 1.00 0.00 O ATOM 512 CB LEU A 86 1.847 -6.683 -6.409 1.00 0.00 C ATOM 513 CG LEU A 86 2.050 -5.465 -5.516 1.00 0.00 C ATOM 514 CD1 LEU A 86 2.100 -5.795 -4.059 1.00 0.00 C ATOM 515 CD2 LEU A 86 2.992 -4.428 -6.113 1.00 0.00 C ATOM 0 H LEU A 86 -0.494 -6.218 -6.020 1.00 0.00 H new ATOM 0 HA LEU A 86 1.318 -5.657 -8.237 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.457 -7.509 -5.814 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.808 -7.004 -6.810 1.00 0.00 H new ATOM 0 HG LEU A 86 1.138 -4.869 -5.510 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.247 -4.881 -3.484 1.00 0.00 H new ATOM 0 HD12 LEU A 86 1.163 -6.266 -3.760 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.927 -6.480 -3.869 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.091 -3.588 -5.425 1.00 0.00 H new ATOM 0 HD22 LEU A 86 3.971 -4.878 -6.279 1.00 0.00 H new ATOM 0 HD23 LEU A 86 2.589 -4.074 -7.062 1.00 0.00 H new ATOM 527 N LYS A 87 -0.526 -8.260 -7.845 1.00 0.00 N ATOM 528 CA LYS A 87 -1.010 -9.432 -8.523 1.00 0.00 C ATOM 529 C LYS A 87 -1.187 -9.083 -9.971 1.00 0.00 C ATOM 530 O LYS A 87 -0.822 -9.861 -10.852 1.00 0.00 O ATOM 531 CB LYS A 87 -2.419 -9.797 -8.053 1.00 0.00 C ATOM 532 CG LYS A 87 -2.555 -11.247 -7.611 1.00 0.00 C ATOM 533 CD LYS A 87 -3.062 -12.165 -8.727 1.00 0.00 C ATOM 534 CE LYS A 87 -2.043 -13.221 -9.167 1.00 0.00 C ATOM 535 NZ LYS A 87 -0.853 -12.575 -9.716 1.00 0.00 N ATOM 0 H LYS A 87 -1.121 -7.933 -7.084 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.306 -10.243 -8.336 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -2.697 -9.145 -7.225 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -3.124 -9.604 -8.861 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -1.587 -11.608 -7.262 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.239 -11.301 -6.764 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.969 -12.667 -8.389 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -3.337 -11.557 -9.589 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -1.767 -13.847 -8.318 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -2.488 -13.877 -9.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -0.415 -13.199 -10.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -1.122 -11.676 -10.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -0.174 -12.390 -8.950 1.00 0.00 H new ATOM 549 N VAL A 88 -1.821 -7.917 -10.197 1.00 0.00 N ATOM 550 CA VAL A 88 -2.090 -7.409 -11.517 1.00 0.00 C ATOM 551 C VAL A 88 -0.785 -7.305 -12.259 1.00 0.00 C ATOM 552 O VAL A 88 -0.721 -7.516 -13.469 1.00 0.00 O ATOM 553 CB VAL A 88 -2.651 -5.983 -11.386 1.00 0.00 C ATOM 554 CG1 VAL A 88 -2.876 -5.258 -12.712 1.00 0.00 C ATOM 555 CG2 VAL A 88 -3.920 -5.899 -10.552 1.00 0.00 C ATOM 0 H VAL A 88 -2.156 -7.310 -9.449 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.791 -8.064 -12.035 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.849 -5.466 -10.860 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.273 -4.261 -12.519 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.930 -5.175 -13.246 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.587 -5.820 -13.318 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.256 -4.863 -10.504 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.697 -6.512 -11.009 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.718 -6.261 -9.544 1.00 0.00 H new ATOM 565 N ARG A 89 0.288 -6.972 -11.521 1.00 0.00 N ATOM 566 CA ARG A 89 1.539 -6.641 -12.129 1.00 0.00 C ATOM 567 C ARG A 89 2.333 -7.904 -12.275 1.00 0.00 C ATOM 568 O ARG A 89 3.083 -8.072 -13.236 1.00 0.00 O ATOM 569 CB ARG A 89 2.260 -5.688 -11.179 1.00 0.00 C ATOM 570 CG ARG A 89 1.417 -4.458 -10.830 1.00 0.00 C ATOM 571 CD ARG A 89 2.007 -3.156 -11.364 1.00 0.00 C ATOM 572 NE ARG A 89 1.134 -2.037 -10.904 1.00 0.00 N ATOM 573 CZ ARG A 89 1.250 -0.801 -11.462 1.00 0.00 C ATOM 574 NH1 ARG A 89 2.026 -0.610 -12.546 1.00 0.00 N ATOM 575 NH2 ARG A 89 0.519 0.228 -10.982 1.00 0.00 N ATOM 0 H ARG A 89 0.290 -6.932 -10.502 1.00 0.00 H new ATOM 0 HA ARG A 89 1.408 -6.178 -13.107 1.00 0.00 H new ATOM 0 HB2 ARG A 89 2.518 -6.219 -10.263 1.00 0.00 H new ATOM 0 HB3 ARG A 89 3.196 -5.365 -11.635 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.413 -4.587 -11.233 1.00 0.00 H new ATOM 0 HG3 ARG A 89 1.319 -4.388 -9.747 1.00 0.00 H new ATOM 0 HD2 ARG A 89 3.025 -3.020 -11.000 1.00 0.00 H new ATOM 0 HD3 ARG A 89 2.058 -3.178 -12.453 1.00 0.00 H new ATOM 0 HE ARG A 89 0.447 -2.199 -10.168 1.00 0.00 H new ATOM 0 HH11 ARG A 89 2.533 -1.395 -12.955 1.00 0.00 H new ATOM 0 HH12 ARG A 89 2.107 0.320 -12.958 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -0.120 0.079 -10.201 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.606 1.154 -11.400 1.00 0.00 H new ATOM 589 N GLY A 90 2.197 -8.812 -11.293 1.00 0.00 N ATOM 590 CA GLY A 90 2.928 -10.048 -11.311 1.00 0.00 C ATOM 591 C GLY A 90 4.069 -9.905 -10.353 1.00 0.00 C ATOM 592 O GLY A 90 5.112 -10.534 -10.516 1.00 0.00 O ATOM 0 H GLY A 90 1.583 -8.694 -10.487 1.00 0.00 H new ATOM 0 HA2 GLY A 90 2.285 -10.879 -11.021 1.00 0.00 H new ATOM 0 HA3 GLY A 90 3.294 -10.263 -12.315 1.00 0.00 H new ATOM 596 N LEU A 91 3.877 -9.076 -9.306 1.00 0.00 N ATOM 597 CA LEU A 91 4.944 -8.777 -8.399 1.00 0.00 C ATOM 598 C LEU A 91 4.605 -9.406 -7.081 1.00 0.00 C ATOM 599 O LEU A 91 3.493 -9.887 -6.870 1.00 0.00 O ATOM 600 CB LEU A 91 5.106 -7.264 -8.169 1.00 0.00 C ATOM 601 CG LEU A 91 5.712 -6.510 -9.358 1.00 0.00 C ATOM 602 CD1 LEU A 91 6.572 -5.314 -8.931 1.00 0.00 C ATOM 603 CD2 LEU A 91 6.502 -7.407 -10.314 1.00 0.00 C ATOM 0 H LEU A 91 2.992 -8.618 -9.090 1.00 0.00 H new ATOM 0 HA LEU A 91 5.873 -9.158 -8.823 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.130 -6.836 -7.941 1.00 0.00 H new ATOM 0 HB3 LEU A 91 5.736 -7.106 -7.294 1.00 0.00 H new ATOM 0 HG LEU A 91 4.847 -6.132 -9.903 1.00 0.00 H new ATOM 0 HD11 LEU A 91 6.974 -4.820 -9.816 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.961 -4.609 -8.368 1.00 0.00 H new ATOM 0 HD13 LEU A 91 7.394 -5.662 -8.305 1.00 0.00 H new ATOM 0 HD21 LEU A 91 6.901 -6.806 -11.131 1.00 0.00 H new ATOM 0 HD22 LEU A 91 7.324 -7.879 -9.775 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.844 -8.177 -10.718 1.00 0.00 H new ATOM 615 N GLN A 92 5.570 -9.368 -6.140 1.00 0.00 N ATOM 616 CA GLN A 92 5.370 -9.975 -4.855 1.00 0.00 C ATOM 617 C GLN A 92 5.324 -8.868 -3.838 1.00 0.00 C ATOM 618 O GLN A 92 6.062 -7.885 -3.926 1.00 0.00 O ATOM 619 CB GLN A 92 6.514 -10.925 -4.470 1.00 0.00 C ATOM 620 CG GLN A 92 6.521 -12.228 -5.282 1.00 0.00 C ATOM 621 CD GLN A 92 7.149 -13.326 -4.428 1.00 0.00 C ATOM 622 OE1 GLN A 92 8.372 -13.452 -4.359 1.00 0.00 O ATOM 623 NE2 GLN A 92 6.308 -14.181 -3.771 1.00 0.00 N ATOM 0 H GLN A 92 6.479 -8.923 -6.266 1.00 0.00 H new ATOM 0 HA GLN A 92 4.450 -10.558 -4.889 1.00 0.00 H new ATOM 0 HB2 GLN A 92 7.466 -10.412 -4.611 1.00 0.00 H new ATOM 0 HB3 GLN A 92 6.436 -11.166 -3.410 1.00 0.00 H new ATOM 0 HG2 GLN A 92 5.505 -12.503 -5.566 1.00 0.00 H new ATOM 0 HG3 GLN A 92 7.085 -12.096 -6.205 1.00 0.00 H new ATOM 0 HE21 GLN A 92 5.298 -14.058 -3.842 1.00 0.00 H new ATOM 0 HE22 GLN A 92 6.691 -14.942 -3.210 1.00 0.00 H new ATOM 632 N PRO A 93 4.523 -9.131 -2.814 1.00 0.00 N ATOM 633 CA PRO A 93 4.500 -8.041 -1.859 1.00 0.00 C ATOM 634 C PRO A 93 5.413 -8.490 -0.747 1.00 0.00 C ATOM 635 O PRO A 93 5.939 -7.673 0.004 1.00 0.00 O ATOM 636 CB PRO A 93 3.087 -8.014 -1.311 1.00 0.00 C ATOM 637 CG PRO A 93 2.468 -9.356 -1.674 1.00 0.00 C ATOM 638 CD PRO A 93 3.257 -9.844 -2.882 1.00 0.00 C ATOM 0 HA PRO A 93 4.791 -7.075 -2.271 1.00 0.00 H new ATOM 0 HB2 PRO A 93 3.091 -7.866 -0.231 1.00 0.00 H new ATOM 0 HB3 PRO A 93 2.517 -7.192 -1.744 1.00 0.00 H new ATOM 0 HG2 PRO A 93 2.540 -10.060 -0.845 1.00 0.00 H new ATOM 0 HG3 PRO A 93 1.409 -9.250 -1.911 1.00 0.00 H new ATOM 0 HD2 PRO A 93 3.409 -10.923 -2.846 1.00 0.00 H new ATOM 0 HD3 PRO A 93 2.731 -9.627 -3.812 1.00 0.00 H new ATOM 646 N GLU A 94 5.668 -9.812 -0.631 1.00 0.00 N ATOM 647 CA GLU A 94 6.351 -10.331 0.525 1.00 0.00 C ATOM 648 C GLU A 94 7.806 -9.972 0.416 1.00 0.00 C ATOM 649 O GLU A 94 8.558 -10.097 1.380 1.00 0.00 O ATOM 650 CB GLU A 94 6.267 -11.859 0.657 1.00 0.00 C ATOM 651 CG GLU A 94 4.843 -12.415 0.513 1.00 0.00 C ATOM 652 CD GLU A 94 4.680 -12.950 -0.905 1.00 0.00 C ATOM 653 OE1 GLU A 94 4.932 -12.172 -1.864 1.00 0.00 O ATOM 654 OE2 GLU A 94 4.334 -14.150 -1.054 1.00 0.00 O ATOM 0 H GLU A 94 5.407 -10.513 -1.325 1.00 0.00 H new ATOM 0 HA GLU A 94 5.866 -9.894 1.398 1.00 0.00 H new ATOM 0 HB2 GLU A 94 6.904 -12.316 -0.101 1.00 0.00 H new ATOM 0 HB3 GLU A 94 6.666 -12.153 1.628 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.670 -13.208 1.240 1.00 0.00 H new ATOM 0 HG3 GLU A 94 4.109 -11.634 0.711 1.00 0.00 H new ATOM 661 N CYS A 95 8.232 -9.503 -0.772 1.00 0.00 N ATOM 662 CA CYS A 95 9.619 -9.211 -0.988 1.00 0.00 C ATOM 663 C CYS A 95 9.803 -7.726 -0.833 1.00 0.00 C ATOM 664 O CYS A 95 10.871 -7.186 -1.127 1.00 0.00 O ATOM 665 CB CYS A 95 10.068 -9.609 -2.402 1.00 0.00 C ATOM 666 SG CYS A 95 11.870 -9.883 -2.425 1.00 0.00 S ATOM 0 H CYS A 95 7.627 -9.327 -1.574 1.00 0.00 H new ATOM 0 HA CYS A 95 10.214 -9.775 -0.270 1.00 0.00 H new ATOM 0 HB2 CYS A 95 9.549 -10.515 -2.716 1.00 0.00 H new ATOM 0 HB3 CYS A 95 9.801 -8.826 -3.112 1.00 0.00 H new ATOM 0 HG CYS A 95 12.242 -10.221 -3.624 1.00 0.00 H new ATOM 672 N CYS A 96 8.775 -7.027 -0.312 1.00 0.00 N ATOM 673 CA CYS A 96 8.811 -5.594 -0.307 1.00 0.00 C ATOM 674 C CYS A 96 8.254 -5.124 1.006 1.00 0.00 C ATOM 675 O CYS A 96 7.797 -5.917 1.829 1.00 0.00 O ATOM 676 CB CYS A 96 7.910 -5.024 -1.412 1.00 0.00 C ATOM 677 SG CYS A 96 8.735 -5.184 -3.028 1.00 0.00 S ATOM 0 H CYS A 96 7.937 -7.441 0.097 1.00 0.00 H new ATOM 0 HA CYS A 96 9.838 -5.264 -0.465 1.00 0.00 H new ATOM 0 HB2 CYS A 96 6.957 -5.554 -1.426 1.00 0.00 H new ATOM 0 HB3 CYS A 96 7.689 -3.976 -1.209 1.00 0.00 H new ATOM 0 HG CYS A 96 7.965 -4.701 -3.958 1.00 0.00 H new ATOM 683 N ALA A 97 8.300 -3.791 1.215 1.00 0.00 N ATOM 684 CA ALA A 97 7.680 -3.184 2.356 1.00 0.00 C ATOM 685 C ALA A 97 6.812 -2.087 1.832 1.00 0.00 C ATOM 686 O ALA A 97 7.185 -1.376 0.905 1.00 0.00 O ATOM 687 CB ALA A 97 8.666 -2.542 3.351 1.00 0.00 C ATOM 0 H ALA A 97 8.768 -3.134 0.591 1.00 0.00 H new ATOM 0 HA ALA A 97 7.150 -3.969 2.896 1.00 0.00 H new ATOM 0 HB1 ALA A 97 8.112 -2.107 4.183 1.00 0.00 H new ATOM 0 HB2 ALA A 97 9.349 -3.303 3.728 1.00 0.00 H new ATOM 0 HB3 ALA A 97 9.235 -1.761 2.847 1.00 0.00 H new ATOM 693 N VAL A 98 5.632 -1.909 2.448 1.00 0.00 N ATOM 694 CA VAL A 98 4.716 -0.904 2.004 1.00 0.00 C ATOM 695 C VAL A 98 4.758 0.214 3.004 1.00 0.00 C ATOM 696 O VAL A 98 5.113 0.020 4.169 1.00 0.00 O ATOM 697 CB VAL A 98 3.290 -1.456 1.908 1.00 0.00 C ATOM 698 CG1 VAL A 98 2.899 -2.313 3.109 1.00 0.00 C ATOM 699 CG2 VAL A 98 2.223 -0.398 1.622 1.00 0.00 C ATOM 0 H VAL A 98 5.312 -2.455 3.248 1.00 0.00 H new ATOM 0 HA VAL A 98 5.001 -0.559 1.010 1.00 0.00 H new ATOM 0 HB VAL A 98 3.320 -2.104 1.032 1.00 0.00 H new ATOM 0 HG11 VAL A 98 1.879 -2.674 2.981 1.00 0.00 H new ATOM 0 HG12 VAL A 98 3.578 -3.162 3.186 1.00 0.00 H new ATOM 0 HG13 VAL A 98 2.961 -1.715 4.018 1.00 0.00 H new ATOM 0 HG21 VAL A 98 1.244 -0.874 1.570 1.00 0.00 H new ATOM 0 HG22 VAL A 98 2.224 0.345 2.420 1.00 0.00 H new ATOM 0 HG23 VAL A 98 2.440 0.090 0.672 1.00 0.00 H new ATOM 709 N PHE A 99 4.357 1.418 2.559 1.00 0.00 N ATOM 710 CA PHE A 99 4.533 2.594 3.356 1.00 0.00 C ATOM 711 C PHE A 99 3.376 3.493 3.090 1.00 0.00 C ATOM 712 O PHE A 99 2.734 3.414 2.042 1.00 0.00 O ATOM 713 CB PHE A 99 5.762 3.415 2.929 1.00 0.00 C ATOM 714 CG PHE A 99 6.981 2.697 3.389 1.00 0.00 C ATOM 715 CD1 PHE A 99 7.558 1.706 2.592 1.00 0.00 C ATOM 716 CD2 PHE A 99 7.629 3.033 4.570 1.00 0.00 C ATOM 717 CE1 PHE A 99 8.837 1.262 2.841 1.00 0.00 C ATOM 718 CE2 PHE A 99 8.891 2.568 4.834 1.00 0.00 C ATOM 719 CZ PHE A 99 9.527 1.765 3.920 1.00 0.00 C ATOM 0 H PHE A 99 3.914 1.578 1.654 1.00 0.00 H new ATOM 0 HA PHE A 99 4.636 2.271 4.392 1.00 0.00 H new ATOM 0 HB2 PHE A 99 5.779 3.539 1.846 1.00 0.00 H new ATOM 0 HB3 PHE A 99 5.722 4.414 3.364 1.00 0.00 H new ATOM 0 HD1 PHE A 99 6.995 1.284 1.772 1.00 0.00 H new ATOM 0 HD2 PHE A 99 7.133 3.668 5.289 1.00 0.00 H new ATOM 0 HE1 PHE A 99 9.294 0.526 2.196 1.00 0.00 H new ATOM 0 HE2 PHE A 99 9.383 2.832 5.758 1.00 0.00 H new ATOM 0 HZ PHE A 99 10.573 1.527 4.048 1.00 0.00 H new ATOM 729 N ARG A 100 3.156 4.434 4.025 1.00 0.00 N ATOM 730 CA ARG A 100 2.427 5.622 3.711 1.00 0.00 C ATOM 731 C ARG A 100 3.443 6.626 3.274 1.00 0.00 C ATOM 732 O ARG A 100 4.533 6.716 3.844 1.00 0.00 O ATOM 733 CB ARG A 100 1.694 6.211 4.909 1.00 0.00 C ATOM 734 CG ARG A 100 0.288 5.643 5.095 1.00 0.00 C ATOM 735 CD ARG A 100 -0.286 5.873 6.495 1.00 0.00 C ATOM 736 NE ARG A 100 -1.099 7.127 6.463 1.00 0.00 N ATOM 737 CZ ARG A 100 -0.519 8.350 6.620 1.00 0.00 C ATOM 738 NH1 ARG A 100 0.749 8.469 7.065 1.00 0.00 N ATOM 739 NH2 ARG A 100 -1.266 9.469 6.494 1.00 0.00 N ATOM 0 H ARG A 100 3.480 4.373 4.990 1.00 0.00 H new ATOM 0 HA ARG A 100 1.678 5.382 2.957 1.00 0.00 H new ATOM 0 HB2 ARG A 100 2.277 6.023 5.811 1.00 0.00 H new ATOM 0 HB3 ARG A 100 1.629 7.293 4.791 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -0.378 6.095 4.360 1.00 0.00 H new ATOM 0 HG3 ARG A 100 0.308 4.572 4.891 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -0.903 5.027 6.797 1.00 0.00 H new ATOM 0 HD3 ARG A 100 0.518 5.959 7.227 1.00 0.00 H new ATOM 0 HE ARG A 100 -2.107 7.066 6.321 1.00 0.00 H new ATOM 0 HH11 ARG A 100 1.291 7.635 7.290 1.00 0.00 H new ATOM 0 HH12 ARG A 100 1.166 9.393 7.176 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -2.261 9.397 6.282 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -0.835 10.386 6.611 1.00 0.00 H new ATOM 753 N LEU A 101 3.091 7.442 2.269 1.00 0.00 N ATOM 754 CA LEU A 101 4.034 8.369 1.721 1.00 0.00 C ATOM 755 C LEU A 101 4.099 9.542 2.646 1.00 0.00 C ATOM 756 O LEU A 101 3.289 9.676 3.568 1.00 0.00 O ATOM 757 CB LEU A 101 3.547 8.870 0.357 1.00 0.00 C ATOM 758 CG LEU A 101 3.754 7.854 -0.768 1.00 0.00 C ATOM 759 CD1 LEU A 101 2.746 8.007 -1.901 1.00 0.00 C ATOM 760 CD2 LEU A 101 5.204 7.769 -1.242 1.00 0.00 C ATOM 0 H LEU A 101 2.167 7.463 1.838 1.00 0.00 H new ATOM 0 HA LEU A 101 5.005 7.887 1.605 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.487 9.116 0.425 1.00 0.00 H new ATOM 0 HB3 LEU A 101 4.073 9.791 0.107 1.00 0.00 H new ATOM 0 HG LEU A 101 3.544 6.878 -0.330 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.945 7.259 -2.668 1.00 0.00 H new ATOM 0 HD12 LEU A 101 1.737 7.869 -1.512 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.834 9.003 -2.334 1.00 0.00 H new ATOM 0 HD21 LEU A 101 5.283 7.031 -2.040 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.523 8.742 -1.615 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.842 7.473 -0.409 1.00 0.00 H new ATOM 772 N LEU A 102 5.055 10.450 2.377 1.00 0.00 N ATOM 773 CA LEU A 102 5.344 11.506 3.287 1.00 0.00 C ATOM 774 C LEU A 102 4.293 12.564 3.156 1.00 0.00 C ATOM 775 O LEU A 102 4.399 13.495 2.363 1.00 0.00 O ATOM 776 CB LEU A 102 6.772 12.039 3.188 1.00 0.00 C ATOM 777 CG LEU A 102 7.122 12.710 1.854 1.00 0.00 C ATOM 778 CD1 LEU A 102 8.600 13.093 1.767 1.00 0.00 C ATOM 779 CD2 LEU A 102 6.775 11.865 0.625 1.00 0.00 C ATOM 0 H LEU A 102 5.624 10.450 1.531 1.00 0.00 H new ATOM 0 HA LEU A 102 5.306 11.104 4.300 1.00 0.00 H new ATOM 0 HB2 LEU A 102 6.932 12.757 3.992 1.00 0.00 H new ATOM 0 HB3 LEU A 102 7.464 11.214 3.355 1.00 0.00 H new ATOM 0 HG LEU A 102 6.502 13.606 1.842 1.00 0.00 H new ATOM 0 HD11 LEU A 102 8.798 13.564 0.804 1.00 0.00 H new ATOM 0 HD12 LEU A 102 8.843 13.790 2.569 1.00 0.00 H new ATOM 0 HD13 LEU A 102 9.214 12.198 1.866 1.00 0.00 H new ATOM 0 HD21 LEU A 102 7.052 12.407 -0.279 1.00 0.00 H new ATOM 0 HD22 LEU A 102 7.322 10.923 0.665 1.00 0.00 H new ATOM 0 HD23 LEU A 102 5.704 11.663 0.613 1.00 0.00 H new ATOM 791 N HIS A 103 3.244 12.437 3.989 1.00 0.00 N ATOM 792 CA HIS A 103 2.275 13.480 4.122 1.00 0.00 C ATOM 793 C HIS A 103 2.452 14.053 5.496 1.00 0.00 C ATOM 794 O HIS A 103 1.906 15.105 5.822 1.00 0.00 O ATOM 795 CB HIS A 103 0.831 12.971 3.987 1.00 0.00 C ATOM 796 CG HIS A 103 0.568 12.284 2.678 1.00 0.00 C ATOM 797 ND1 HIS A 103 0.993 11.007 2.422 1.00 0.00 N ATOM 798 CD2 HIS A 103 -0.193 12.663 1.629 1.00 0.00 C ATOM 799 CE1 HIS A 103 0.507 10.632 1.248 1.00 0.00 C ATOM 800 NE2 HIS A 103 -0.214 11.620 0.744 1.00 0.00 N ATOM 0 H HIS A 103 3.067 11.616 4.568 1.00 0.00 H new ATOM 0 HA HIS A 103 2.430 14.211 3.329 1.00 0.00 H new ATOM 0 HB2 HIS A 103 0.618 12.280 4.802 1.00 0.00 H new ATOM 0 HB3 HIS A 103 0.145 13.811 4.094 1.00 0.00 H new ATOM 0 HD1 HIS A 103 1.583 10.441 3.032 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -0.692 13.613 1.511 1.00 0.00 H new ATOM 0 HE1 HIS A 103 0.673 9.674 0.778 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -0.702 11.606 -0.151 1.00 0.00 H new ATOM 809 N GLU A 104 3.238 13.350 6.340 1.00 0.00 N ATOM 810 CA GLU A 104 3.491 13.818 7.672 1.00 0.00 C ATOM 811 C GLU A 104 4.924 13.504 7.991 1.00 0.00 C ATOM 812 O GLU A 104 5.301 13.377 9.156 1.00 0.00 O ATOM 813 CB GLU A 104 2.624 13.132 8.745 1.00 0.00 C ATOM 814 CG GLU A 104 1.126 13.095 8.405 1.00 0.00 C ATOM 815 CD GLU A 104 0.839 11.844 7.578 1.00 0.00 C ATOM 816 OE1 GLU A 104 1.673 10.892 7.555 1.00 0.00 O ATOM 817 OE2 GLU A 104 -0.260 11.780 6.963 1.00 0.00 O ATOM 0 H GLU A 104 3.693 12.468 6.103 1.00 0.00 H new ATOM 0 HA GLU A 104 3.257 14.882 7.693 1.00 0.00 H new ATOM 0 HB2 GLU A 104 2.980 12.111 8.887 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.759 13.652 9.694 1.00 0.00 H new ATOM 0 HG2 GLU A 104 0.532 13.088 9.319 1.00 0.00 H new ATOM 0 HG3 GLU A 104 0.843 13.988 7.848 1.00 0.00 H new ATOM 824 N HIS A 105 5.755 13.293 6.951 1.00 0.00 N ATOM 825 CA HIS A 105 7.137 12.974 7.178 1.00 0.00 C ATOM 826 C HIS A 105 7.937 13.794 6.218 1.00 0.00 C ATOM 827 O HIS A 105 7.384 14.505 5.381 1.00 0.00 O ATOM 828 CB HIS A 105 7.513 11.485 6.981 1.00 0.00 C ATOM 829 CG HIS A 105 6.327 10.571 6.876 1.00 0.00 C ATOM 830 ND1 HIS A 105 5.923 9.787 5.860 1.00 0.00 N flip ATOM 831 CD2 HIS A 105 5.364 10.497 7.846 1.00 0.00 C flip ATOM 832 CE1 HIS A 105 4.666 9.343 6.165 1.00 0.00 C flip ATOM 833 NE2 HIS A 105 4.354 9.781 7.375 1.00 0.00 N flip ATOM 0 H HIS A 105 5.479 13.341 5.970 1.00 0.00 H new ATOM 0 HA HIS A 105 7.345 13.190 8.226 1.00 0.00 H new ATOM 0 HB2 HIS A 105 8.116 11.388 6.078 1.00 0.00 H new ATOM 0 HB3 HIS A 105 8.135 11.163 7.816 1.00 0.00 H new ATOM 0 HD2 HIS A 105 5.418 10.945 8.827 1.00 0.00 H new ATOM 0 HE1 HIS A 105 4.036 8.739 5.529 1.00 0.00 H new ATOM 0 HE2 HIS A 105 3.478 9.597 7.865 1.00 0.00 H new ATOM 842 N LYS A 106 9.276 13.709 6.323 1.00 0.00 N ATOM 843 CA LYS A 106 10.117 14.405 5.401 1.00 0.00 C ATOM 844 C LYS A 106 11.192 13.450 4.992 1.00 0.00 C ATOM 845 O LYS A 106 11.869 12.858 5.831 1.00 0.00 O ATOM 846 CB LYS A 106 10.768 15.616 6.069 1.00 0.00 C ATOM 847 CG LYS A 106 11.776 16.352 5.182 1.00 0.00 C ATOM 848 CD LYS A 106 11.120 17.246 4.123 1.00 0.00 C ATOM 849 CE LYS A 106 12.118 17.856 3.134 1.00 0.00 C ATOM 850 NZ LYS A 106 12.960 18.836 3.813 1.00 0.00 N ATOM 0 H LYS A 106 9.769 13.168 7.034 1.00 0.00 H new ATOM 0 HA LYS A 106 9.532 14.756 4.551 1.00 0.00 H new ATOM 0 HB2 LYS A 106 9.987 16.315 6.370 1.00 0.00 H new ATOM 0 HB3 LYS A 106 11.272 15.289 6.979 1.00 0.00 H new ATOM 0 HG2 LYS A 106 12.424 16.963 5.811 1.00 0.00 H new ATOM 0 HG3 LYS A 106 12.413 15.620 4.685 1.00 0.00 H new ATOM 0 HD2 LYS A 106 10.385 16.661 3.570 1.00 0.00 H new ATOM 0 HD3 LYS A 106 10.578 18.049 4.622 1.00 0.00 H new ATOM 0 HE2 LYS A 106 12.737 17.071 2.700 1.00 0.00 H new ATOM 0 HE3 LYS A 106 11.583 18.332 2.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 13.622 19.257 3.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 12.363 19.583 4.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 13.496 18.367 4.571 1.00 0.00 H new ATOM 864 N GLY A 107 11.333 13.243 3.669 1.00 0.00 N ATOM 865 CA GLY A 107 12.420 12.455 3.163 1.00 0.00 C ATOM 866 C GLY A 107 11.936 11.048 3.000 1.00 0.00 C ATOM 867 O GLY A 107 11.916 10.513 1.893 1.00 0.00 O ATOM 0 H GLY A 107 10.705 13.615 2.957 1.00 0.00 H new ATOM 0 HA2 GLY A 107 12.766 12.852 2.209 1.00 0.00 H new ATOM 0 HA3 GLY A 107 13.267 12.490 3.848 1.00 0.00 H new ATOM 871 N LYS A 108 11.560 10.402 4.122 1.00 0.00 N ATOM 872 CA LYS A 108 11.318 8.999 4.104 1.00 0.00 C ATOM 873 C LYS A 108 9.843 8.787 3.965 1.00 0.00 C ATOM 874 O LYS A 108 9.130 9.572 3.342 1.00 0.00 O ATOM 875 CB LYS A 108 11.783 8.403 5.442 1.00 0.00 C ATOM 876 CG LYS A 108 12.696 7.190 5.287 1.00 0.00 C ATOM 877 CD LYS A 108 11.943 5.856 5.292 1.00 0.00 C ATOM 878 CE LYS A 108 12.862 4.636 5.384 1.00 0.00 C ATOM 879 NZ LYS A 108 12.072 3.439 5.660 1.00 0.00 N ATOM 0 H LYS A 108 11.426 10.849 5.029 1.00 0.00 H new ATOM 0 HA LYS A 108 11.852 8.524 3.281 1.00 0.00 H new ATOM 0 HB2 LYS A 108 12.307 9.172 6.010 1.00 0.00 H new ATOM 0 HB3 LYS A 108 10.908 8.117 6.026 1.00 0.00 H new ATOM 0 HG2 LYS A 108 13.253 7.281 4.354 1.00 0.00 H new ATOM 0 HG3 LYS A 108 13.427 7.189 6.096 1.00 0.00 H new ATOM 0 HD2 LYS A 108 11.249 5.843 6.133 1.00 0.00 H new ATOM 0 HD3 LYS A 108 11.345 5.782 4.384 1.00 0.00 H new ATOM 0 HE2 LYS A 108 13.412 4.513 4.451 1.00 0.00 H new ATOM 0 HE3 LYS A 108 13.601 4.785 6.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 12.565 2.604 5.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 11.947 3.335 6.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 11.141 3.525 5.205 1.00 0.00 H new ATOM 893 N LYS A 109 9.367 7.683 4.556 1.00 0.00 N ATOM 894 CA LYS A 109 8.016 7.264 4.397 1.00 0.00 C ATOM 895 C LYS A 109 7.647 6.590 5.677 1.00 0.00 C ATOM 896 O LYS A 109 8.509 6.079 6.392 1.00 0.00 O ATOM 897 CB LYS A 109 7.962 6.239 3.265 1.00 0.00 C ATOM 898 CG LYS A 109 7.928 6.838 1.867 1.00 0.00 C ATOM 899 CD LYS A 109 7.436 5.837 0.828 1.00 0.00 C ATOM 900 CE LYS A 109 8.358 4.626 0.677 1.00 0.00 C ATOM 901 NZ LYS A 109 9.537 4.996 -0.101 1.00 0.00 N ATOM 0 H LYS A 109 9.927 7.073 5.152 1.00 0.00 H new ATOM 0 HA LYS A 109 7.348 8.094 4.168 1.00 0.00 H new ATOM 0 HB2 LYS A 109 8.830 5.584 3.344 1.00 0.00 H new ATOM 0 HB3 LYS A 109 7.079 5.615 3.400 1.00 0.00 H new ATOM 0 HG2 LYS A 109 7.278 7.713 1.863 1.00 0.00 H new ATOM 0 HG3 LYS A 109 8.926 7.181 1.595 1.00 0.00 H new ATOM 0 HD2 LYS A 109 6.439 5.495 1.106 1.00 0.00 H new ATOM 0 HD3 LYS A 109 7.344 6.338 -0.136 1.00 0.00 H new ATOM 0 HE2 LYS A 109 8.659 4.262 1.659 1.00 0.00 H new ATOM 0 HE3 LYS A 109 7.827 3.812 0.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 10.065 4.138 -0.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 9.241 5.494 -0.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 10.146 5.619 0.467 1.00 0.00 H new ATOM 915 N ALA A 110 6.344 6.586 6.008 1.00 0.00 N ATOM 916 CA ALA A 110 5.911 5.993 7.243 1.00 0.00 C ATOM 917 C ALA A 110 5.575 4.575 6.944 1.00 0.00 C ATOM 918 O ALA A 110 4.738 4.286 6.095 1.00 0.00 O ATOM 919 CB ALA A 110 4.716 6.624 7.959 1.00 0.00 C ATOM 0 H ALA A 110 5.599 6.984 5.436 1.00 0.00 H new ATOM 0 HA ALA A 110 6.738 6.143 7.937 1.00 0.00 H new ATOM 0 HB1 ALA A 110 4.506 6.070 8.874 1.00 0.00 H new ATOM 0 HB2 ALA A 110 4.946 7.660 8.207 1.00 0.00 H new ATOM 0 HB3 ALA A 110 3.843 6.592 7.307 1.00 0.00 H new ATOM 925 N ARG A 111 6.253 3.637 7.628 1.00 0.00 N ATOM 926 CA ARG A 111 6.201 2.282 7.211 1.00 0.00 C ATOM 927 C ARG A 111 5.091 1.641 7.962 1.00 0.00 C ATOM 928 O ARG A 111 4.817 1.983 9.111 1.00 0.00 O ATOM 929 CB ARG A 111 7.522 1.639 7.591 1.00 0.00 C ATOM 930 CG ARG A 111 7.810 0.346 6.842 1.00 0.00 C ATOM 931 CD ARG A 111 7.161 -0.856 7.509 1.00 0.00 C ATOM 932 NE ARG A 111 8.145 -1.977 7.454 1.00 0.00 N ATOM 933 CZ ARG A 111 7.783 -3.241 7.800 1.00 0.00 C ATOM 934 NH1 ARG A 111 6.503 -3.532 8.111 1.00 0.00 N ATOM 935 NH2 ARG A 111 8.710 -4.223 7.784 1.00 0.00 N ATOM 0 H ARG A 111 6.825 3.817 8.453 1.00 0.00 H new ATOM 0 HA ARG A 111 6.038 2.180 6.138 1.00 0.00 H new ATOM 0 HB2 ARG A 111 8.329 2.347 7.400 1.00 0.00 H new ATOM 0 HB3 ARG A 111 7.523 1.436 8.662 1.00 0.00 H new ATOM 0 HG2 ARG A 111 7.447 0.432 5.818 1.00 0.00 H new ATOM 0 HG3 ARG A 111 8.888 0.192 6.786 1.00 0.00 H new ATOM 0 HD2 ARG A 111 6.897 -0.627 8.541 1.00 0.00 H new ATOM 0 HD3 ARG A 111 6.238 -1.129 6.997 1.00 0.00 H new ATOM 0 HE ARG A 111 9.102 -1.792 7.153 1.00 0.00 H new ATOM 0 HH11 ARG A 111 5.793 -2.800 8.088 1.00 0.00 H new ATOM 0 HH12 ARG A 111 6.245 -4.484 8.369 1.00 0.00 H new ATOM 0 HH21 ARG A 111 9.671 -4.013 7.514 1.00 0.00 H new ATOM 0 HH22 ARG A 111 8.449 -5.175 8.042 1.00 0.00 H new ATOM 949 N LEU A 112 4.423 0.688 7.300 1.00 0.00 N ATOM 950 CA LEU A 112 3.176 0.194 7.797 1.00 0.00 C ATOM 951 C LEU A 112 3.350 -1.256 8.097 1.00 0.00 C ATOM 952 O LEU A 112 4.459 -1.746 8.303 1.00 0.00 O ATOM 953 CB LEU A 112 2.062 0.323 6.756 1.00 0.00 C ATOM 954 CG LEU A 112 1.867 1.749 6.246 1.00 0.00 C ATOM 955 CD1 LEU A 112 0.881 1.841 5.079 1.00 0.00 C ATOM 956 CD2 LEU A 112 1.440 2.722 7.348 1.00 0.00 C ATOM 0 H LEU A 112 4.738 0.260 6.429 1.00 0.00 H new ATOM 0 HA LEU A 112 2.898 0.773 8.678 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.287 -0.329 5.912 1.00 0.00 H new ATOM 0 HB3 LEU A 112 1.127 -0.030 7.191 1.00 0.00 H new ATOM 0 HG LEU A 112 2.852 2.044 5.885 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.787 2.880 4.763 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.246 1.240 4.246 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.093 1.468 5.396 1.00 0.00 H new ATOM 0 HD21 LEU A 112 1.317 3.719 6.925 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.495 2.392 7.779 1.00 0.00 H new ATOM 0 HD23 LEU A 112 2.204 2.749 8.125 1.00 0.00 H new ATOM 968 N ASP A 113 2.218 -1.977 8.151 1.00 0.00 N ATOM 969 CA ASP A 113 2.252 -3.393 8.372 1.00 0.00 C ATOM 970 C ASP A 113 1.791 -4.048 7.112 1.00 0.00 C ATOM 971 O ASP A 113 1.217 -3.414 6.243 1.00 0.00 O ATOM 972 CB ASP A 113 1.385 -3.867 9.550 1.00 0.00 C ATOM 973 CG ASP A 113 1.852 -5.255 9.962 1.00 0.00 C ATOM 974 OD1 ASP A 113 2.993 -5.365 10.483 1.00 0.00 O ATOM 975 OD2 ASP A 113 1.109 -6.229 9.666 1.00 0.00 O ATOM 0 H ASP A 113 1.282 -1.585 8.043 1.00 0.00 H new ATOM 0 HA ASP A 113 3.273 -3.667 8.636 1.00 0.00 H new ATOM 0 HB2 ASP A 113 1.471 -3.174 10.387 1.00 0.00 H new ATOM 0 HB3 ASP A 113 0.334 -3.890 9.262 1.00 0.00 H new ATOM 980 N TRP A 114 2.111 -5.347 6.953 1.00 0.00 N ATOM 981 CA TRP A 114 1.713 -6.063 5.791 1.00 0.00 C ATOM 982 C TRP A 114 0.350 -6.638 6.040 1.00 0.00 C ATOM 983 O TRP A 114 -0.296 -7.155 5.133 1.00 0.00 O ATOM 984 CB TRP A 114 2.733 -7.185 5.493 1.00 0.00 C ATOM 985 CG TRP A 114 3.648 -6.878 4.331 1.00 0.00 C ATOM 986 CD1 TRP A 114 4.934 -7.247 4.066 1.00 0.00 C ATOM 987 CD2 TRP A 114 3.177 -6.208 3.169 1.00 0.00 C ATOM 988 NE1 TRP A 114 5.299 -6.801 2.808 1.00 0.00 N ATOM 989 CE2 TRP A 114 4.217 -6.164 2.238 1.00 0.00 C ATOM 990 CE3 TRP A 114 1.906 -5.865 2.892 1.00 0.00 C ATOM 991 CZ2 TRP A 114 3.940 -5.615 0.998 1.00 0.00 C ATOM 992 CZ3 TRP A 114 1.623 -5.412 1.630 1.00 0.00 C ATOM 993 CH2 TRP A 114 2.621 -5.307 0.682 1.00 0.00 C ATOM 0 H TRP A 114 2.643 -5.894 7.629 1.00 0.00 H new ATOM 0 HA TRP A 114 1.679 -5.400 4.926 1.00 0.00 H new ATOM 0 HB2 TRP A 114 3.337 -7.361 6.383 1.00 0.00 H new ATOM 0 HB3 TRP A 114 2.194 -8.109 5.285 1.00 0.00 H new ATOM 0 HD1 TRP A 114 5.571 -7.804 4.737 1.00 0.00 H new ATOM 0 HE1 TRP A 114 6.214 -6.923 2.375 1.00 0.00 H new ATOM 0 HE3 TRP A 114 1.132 -5.944 3.641 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 4.733 -5.429 0.289 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 0.611 -5.135 1.375 1.00 0.00 H new ATOM 0 HH2 TRP A 114 2.374 -4.982 -0.318 1.00 0.00 H new ATOM 1004 N ASN A 115 -0.180 -6.443 7.258 1.00 0.00 N ATOM 1005 CA ASN A 115 -1.537 -6.811 7.528 1.00 0.00 C ATOM 1006 C ASN A 115 -2.271 -5.547 7.824 1.00 0.00 C ATOM 1007 O ASN A 115 -3.299 -5.558 8.503 1.00 0.00 O ATOM 1008 CB ASN A 115 -1.624 -7.661 8.800 1.00 0.00 C ATOM 1009 CG ASN A 115 -2.613 -8.788 8.562 1.00 0.00 C ATOM 1010 OD1 ASN A 115 -2.229 -9.941 8.361 1.00 0.00 O ATOM 1011 ND2 ASN A 115 -3.921 -8.449 8.592 1.00 0.00 N ATOM 0 H ASN A 115 0.321 -6.036 8.048 1.00 0.00 H new ATOM 0 HA ASN A 115 -1.939 -7.366 6.680 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -0.644 -8.065 9.053 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -1.944 -7.049 9.643 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -4.636 -9.161 8.445 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -4.193 -7.481 8.762 1.00 0.00 H new ATOM 1018 N THR A 116 -1.748 -4.404 7.333 1.00 0.00 N ATOM 1019 CA THR A 116 -2.187 -3.145 7.847 1.00 0.00 C ATOM 1020 C THR A 116 -3.588 -2.881 7.349 1.00 0.00 C ATOM 1021 O THR A 116 -3.977 -3.300 6.258 1.00 0.00 O ATOM 1022 CB THR A 116 -1.173 -1.978 7.805 1.00 0.00 C ATOM 1023 OG1 THR A 116 -0.595 -1.792 9.088 1.00 0.00 O ATOM 1024 CG2 THR A 116 -1.768 -0.576 7.605 1.00 0.00 C ATOM 0 H THR A 116 -1.040 -4.353 6.600 1.00 0.00 H new ATOM 0 HA THR A 116 -2.240 -3.218 8.933 1.00 0.00 H new ATOM 0 HB THR A 116 -0.521 -2.275 6.984 1.00 0.00 H new ATOM 0 HG1 THR A 116 -0.357 -0.849 9.206 1.00 0.00 H new ATOM 0 HG21 THR A 116 -0.965 0.161 7.592 1.00 0.00 H new ATOM 0 HG22 THR A 116 -2.308 -0.542 6.659 1.00 0.00 H new ATOM 0 HG23 THR A 116 -2.453 -0.352 8.422 1.00 0.00 H new ATOM 1032 N ASP A 117 -4.426 -2.307 8.230 1.00 0.00 N ATOM 1033 CA ASP A 117 -5.782 -1.976 7.891 1.00 0.00 C ATOM 1034 C ASP A 117 -5.727 -0.810 6.954 1.00 0.00 C ATOM 1035 O ASP A 117 -5.803 0.331 7.394 1.00 0.00 O ATOM 1036 CB ASP A 117 -6.582 -1.587 9.150 1.00 0.00 C ATOM 1037 CG ASP A 117 -8.056 -1.489 8.783 1.00 0.00 C ATOM 1038 OD1 ASP A 117 -8.613 -2.508 8.296 1.00 0.00 O ATOM 1039 OD2 ASP A 117 -8.635 -0.389 8.976 1.00 0.00 O ATOM 0 H ASP A 117 -4.165 -2.069 9.187 1.00 0.00 H new ATOM 0 HA ASP A 117 -6.276 -2.833 7.434 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -6.437 -2.330 9.934 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -6.227 -0.635 9.544 1.00 0.00 H new ATOM 1044 N ALA A 118 -5.729 -1.124 5.640 1.00 0.00 N ATOM 1045 CA ALA A 118 -5.609 -0.130 4.602 1.00 0.00 C ATOM 1046 C ALA A 118 -6.844 0.720 4.621 1.00 0.00 C ATOM 1047 O ALA A 118 -6.850 1.836 4.113 1.00 0.00 O ATOM 1048 CB ALA A 118 -5.640 -0.985 3.318 1.00 0.00 C ATOM 0 H ALA A 118 -5.815 -2.078 5.291 1.00 0.00 H new ATOM 0 HA ALA A 118 -4.732 0.510 4.696 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -5.555 -0.336 2.446 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -4.807 -1.688 3.329 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -6.579 -1.536 3.270 1.00 0.00 H new ATOM 1054 N ALA A 119 -7.880 0.250 5.337 1.00 0.00 N ATOM 1055 CA ALA A 119 -9.119 0.966 5.431 1.00 0.00 C ATOM 1056 C ALA A 119 -8.947 2.075 6.432 1.00 0.00 C ATOM 1057 O ALA A 119 -9.826 2.919 6.593 1.00 0.00 O ATOM 1058 CB ALA A 119 -9.921 -0.172 6.089 1.00 0.00 C ATOM 0 H ALA A 119 -7.862 -0.629 5.854 1.00 0.00 H new ATOM 0 HA ALA A 119 -9.524 1.409 4.521 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -10.945 0.158 6.264 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -9.928 -1.040 5.430 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -9.459 -0.441 7.039 1.00 0.00 H new ATOM 1064 N SER A 120 -7.769 2.144 7.087 1.00 0.00 N ATOM 1065 CA SER A 120 -7.501 3.223 7.996 1.00 0.00 C ATOM 1066 C SER A 120 -6.572 4.177 7.298 1.00 0.00 C ATOM 1067 O SER A 120 -6.369 5.301 7.754 1.00 0.00 O ATOM 1068 CB SER A 120 -6.839 2.771 9.305 1.00 0.00 C ATOM 1069 OG SER A 120 -6.718 3.869 10.202 1.00 0.00 O ATOM 0 H SER A 120 -7.014 1.466 6.990 1.00 0.00 H new ATOM 0 HA SER A 120 -8.454 3.677 8.266 1.00 0.00 H new ATOM 0 HB2 SER A 120 -7.431 1.980 9.766 1.00 0.00 H new ATOM 0 HB3 SER A 120 -5.854 2.352 9.097 1.00 0.00 H new ATOM 0 HG SER A 120 -6.547 4.689 9.694 1.00 0.00 H new ATOM 1075 N LEU A 121 -5.947 3.712 6.196 1.00 0.00 N ATOM 1076 CA LEU A 121 -5.079 4.553 5.417 1.00 0.00 C ATOM 1077 C LEU A 121 -5.847 4.922 4.209 1.00 0.00 C ATOM 1078 O LEU A 121 -5.288 5.312 3.187 1.00 0.00 O ATOM 1079 CB LEU A 121 -3.813 3.824 4.952 1.00 0.00 C ATOM 1080 CG LEU A 121 -3.053 3.154 6.097 1.00 0.00 C ATOM 1081 CD1 LEU A 121 -3.145 3.944 7.406 1.00 0.00 C ATOM 1082 CD2 LEU A 121 -3.591 1.765 6.419 1.00 0.00 C ATOM 0 H LEU A 121 -6.041 2.759 5.845 1.00 0.00 H new ATOM 0 HA LEU A 121 -4.767 5.403 6.024 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -4.086 3.070 4.214 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -3.154 4.535 4.453 1.00 0.00 H new ATOM 0 HG LEU A 121 -2.025 3.106 5.739 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -2.588 3.423 8.185 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -2.723 4.939 7.261 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -4.190 4.033 7.705 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -3.017 1.333 7.239 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -4.639 1.839 6.710 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -3.503 1.128 5.539 1.00 0.00 H new ATOM 1094 N ILE A 122 -7.168 4.739 4.322 1.00 0.00 N ATOM 1095 CA ILE A 122 -8.048 4.903 3.203 1.00 0.00 C ATOM 1096 C ILE A 122 -8.093 6.359 2.860 1.00 0.00 C ATOM 1097 O ILE A 122 -8.148 7.228 3.730 1.00 0.00 O ATOM 1098 CB ILE A 122 -9.456 4.356 3.474 1.00 0.00 C ATOM 1099 CG1 ILE A 122 -10.089 3.649 2.273 1.00 0.00 C ATOM 1100 CG2 ILE A 122 -10.450 5.375 4.062 1.00 0.00 C ATOM 1101 CD1 ILE A 122 -9.578 2.225 2.040 1.00 0.00 C ATOM 0 H ILE A 122 -7.634 4.476 5.190 1.00 0.00 H new ATOM 0 HA ILE A 122 -7.664 4.324 2.363 1.00 0.00 H new ATOM 0 HB ILE A 122 -9.267 3.613 4.248 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -11.169 3.617 2.413 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -9.901 4.241 1.377 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -11.415 4.893 4.218 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -10.071 5.745 5.015 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -10.568 6.209 3.370 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -10.077 1.797 1.171 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -8.502 2.248 1.866 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -9.790 1.614 2.918 1.00 0.00 H new ATOM 1113 N GLY A 123 -8.024 6.634 1.547 1.00 0.00 N ATOM 1114 CA GLY A 123 -8.117 7.982 1.055 1.00 0.00 C ATOM 1115 C GLY A 123 -6.764 8.615 1.185 1.00 0.00 C ATOM 1116 O GLY A 123 -6.655 9.790 1.522 1.00 0.00 O ATOM 0 H GLY A 123 -7.904 5.927 0.822 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -8.442 7.987 0.015 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -8.858 8.545 1.623 1.00 0.00 H new ATOM 1120 N GLU A 124 -5.692 7.847 0.896 1.00 0.00 N ATOM 1121 CA GLU A 124 -4.368 8.370 1.050 1.00 0.00 C ATOM 1122 C GLU A 124 -3.580 7.932 -0.146 1.00 0.00 C ATOM 1123 O GLU A 124 -4.127 7.400 -1.115 1.00 0.00 O ATOM 1124 CB GLU A 124 -3.656 7.819 2.293 1.00 0.00 C ATOM 1125 CG GLU A 124 -4.451 8.003 3.592 1.00 0.00 C ATOM 1126 CD GLU A 124 -4.035 9.321 4.231 1.00 0.00 C ATOM 1127 OE1 GLU A 124 -4.144 10.375 3.552 1.00 0.00 O ATOM 1128 OE2 GLU A 124 -3.536 9.279 5.390 1.00 0.00 O ATOM 0 H GLU A 124 -5.741 6.884 0.563 1.00 0.00 H new ATOM 0 HA GLU A 124 -4.438 9.453 1.152 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -3.458 6.757 2.146 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -2.690 8.313 2.396 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -5.521 8.004 3.384 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -4.259 7.174 4.274 1.00 0.00 H new ATOM 1135 N GLU A 125 -2.248 8.119 -0.076 1.00 0.00 N ATOM 1136 CA GLU A 125 -1.376 7.625 -1.101 1.00 0.00 C ATOM 1137 C GLU A 125 -0.386 6.734 -0.441 1.00 0.00 C ATOM 1138 O GLU A 125 0.255 7.120 0.540 1.00 0.00 O ATOM 1139 CB GLU A 125 -0.608 8.707 -1.865 1.00 0.00 C ATOM 1140 CG GLU A 125 -1.485 9.473 -2.855 1.00 0.00 C ATOM 1141 CD GLU A 125 -1.182 10.959 -2.716 1.00 0.00 C ATOM 1142 OE1 GLU A 125 -1.276 11.480 -1.568 1.00 0.00 O ATOM 1143 OE2 GLU A 125 -0.833 11.589 -3.748 1.00 0.00 O ATOM 0 H GLU A 125 -1.777 8.609 0.684 1.00 0.00 H new ATOM 0 HA GLU A 125 -2.001 7.120 -1.838 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -0.175 9.409 -1.153 1.00 0.00 H new ATOM 0 HB3 GLU A 125 0.221 8.246 -2.403 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -1.287 9.139 -3.874 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -2.539 9.281 -2.655 1.00 0.00 H new ATOM 1150 N LEU A 126 -0.236 5.521 -0.995 1.00 0.00 N ATOM 1151 CA LEU A 126 0.651 4.552 -0.421 1.00 0.00 C ATOM 1152 C LEU A 126 1.805 4.382 -1.359 1.00 0.00 C ATOM 1153 O LEU A 126 1.738 4.746 -2.531 1.00 0.00 O ATOM 1154 CB LEU A 126 0.038 3.153 -0.221 1.00 0.00 C ATOM 1155 CG LEU A 126 -1.026 3.072 0.881 1.00 0.00 C ATOM 1156 CD1 LEU A 126 -0.953 1.769 1.684 1.00 0.00 C ATOM 1157 CD2 LEU A 126 -0.965 4.224 1.888 1.00 0.00 C ATOM 0 H LEU A 126 -0.723 5.209 -1.835 1.00 0.00 H new ATOM 0 HA LEU A 126 0.921 4.932 0.564 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -0.407 2.828 -1.162 1.00 0.00 H new ATOM 0 HB3 LEU A 126 0.838 2.451 0.013 1.00 0.00 H new ATOM 0 HG LEU A 126 -1.962 3.126 0.326 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -1.730 1.769 2.449 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -1.102 0.921 1.016 1.00 0.00 H new ATOM 0 HD13 LEU A 126 0.024 1.689 2.160 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -1.748 4.096 2.635 1.00 0.00 H new ATOM 0 HD22 LEU A 126 0.008 4.227 2.379 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -1.111 5.170 1.367 1.00 0.00 H new ATOM 1169 N GLN A 127 2.885 3.753 -0.859 1.00 0.00 N ATOM 1170 CA GLN A 127 3.992 3.411 -1.704 1.00 0.00 C ATOM 1171 C GLN A 127 4.489 2.082 -1.248 1.00 0.00 C ATOM 1172 O GLN A 127 4.279 1.690 -0.103 1.00 0.00 O ATOM 1173 CB GLN A 127 5.171 4.396 -1.623 1.00 0.00 C ATOM 1174 CG GLN A 127 5.978 4.508 -2.928 1.00 0.00 C ATOM 1175 CD GLN A 127 7.456 4.643 -2.580 1.00 0.00 C ATOM 1176 OE1 GLN A 127 7.955 5.742 -2.339 1.00 0.00 O ATOM 1177 NE2 GLN A 127 8.204 3.510 -2.629 1.00 0.00 N ATOM 0 H GLN A 127 2.993 3.483 0.119 1.00 0.00 H new ATOM 0 HA GLN A 127 3.636 3.425 -2.734 1.00 0.00 H new ATOM 0 HB2 GLN A 127 4.791 5.382 -1.356 1.00 0.00 H new ATOM 0 HB3 GLN A 127 5.838 4.084 -0.820 1.00 0.00 H new ATOM 0 HG2 GLN A 127 5.815 3.627 -3.549 1.00 0.00 H new ATOM 0 HG3 GLN A 127 5.645 5.371 -3.505 1.00 0.00 H new ATOM 0 HE21 GLN A 127 7.760 2.614 -2.831 1.00 0.00 H new ATOM 0 HE22 GLN A 127 9.209 3.555 -2.463 1.00 0.00 H new ATOM 1186 N VAL A 128 5.173 1.358 -2.149 1.00 0.00 N ATOM 1187 CA VAL A 128 5.800 0.128 -1.769 1.00 0.00 C ATOM 1188 C VAL A 128 7.248 0.261 -2.115 1.00 0.00 C ATOM 1189 O VAL A 128 7.606 0.924 -3.087 1.00 0.00 O ATOM 1190 CB VAL A 128 5.194 -1.101 -2.468 1.00 0.00 C ATOM 1191 CG1 VAL A 128 6.049 -2.368 -2.349 1.00 0.00 C ATOM 1192 CG2 VAL A 128 3.828 -1.506 -1.901 1.00 0.00 C ATOM 0 H VAL A 128 5.293 1.617 -3.128 1.00 0.00 H new ATOM 0 HA VAL A 128 5.647 -0.039 -0.703 1.00 0.00 H new ATOM 0 HB VAL A 128 5.124 -0.766 -3.503 1.00 0.00 H new ATOM 0 HG11 VAL A 128 5.555 -3.190 -2.867 1.00 0.00 H new ATOM 0 HG12 VAL A 128 7.026 -2.191 -2.798 1.00 0.00 H new ATOM 0 HG13 VAL A 128 6.174 -2.625 -1.297 1.00 0.00 H new ATOM 0 HG21 VAL A 128 3.456 -2.379 -2.437 1.00 0.00 H new ATOM 0 HG22 VAL A 128 3.930 -1.747 -0.843 1.00 0.00 H new ATOM 0 HG23 VAL A 128 3.126 -0.681 -2.019 1.00 0.00 H new ATOM 1202 N ASP A 129 8.118 -0.330 -1.277 1.00 0.00 N ATOM 1203 CA ASP A 129 9.532 -0.213 -1.479 1.00 0.00 C ATOM 1204 C ASP A 129 10.125 -1.555 -1.184 1.00 0.00 C ATOM 1205 O ASP A 129 9.416 -2.551 -1.080 1.00 0.00 O ATOM 1206 CB ASP A 129 10.160 0.832 -0.537 1.00 0.00 C ATOM 1207 CG ASP A 129 11.002 1.782 -1.373 1.00 0.00 C ATOM 1208 OD1 ASP A 129 11.958 1.295 -2.032 1.00 0.00 O ATOM 1209 OD2 ASP A 129 10.679 3.001 -1.381 1.00 0.00 O ATOM 0 H ASP A 129 7.847 -0.885 -0.465 1.00 0.00 H new ATOM 0 HA ASP A 129 9.729 0.110 -2.501 1.00 0.00 H new ATOM 0 HB2 ASP A 129 9.382 1.381 -0.006 1.00 0.00 H new ATOM 0 HB3 ASP A 129 10.776 0.342 0.217 1.00 0.00 H new ATOM 1214 N PHE A 130 11.460 -1.610 -1.001 1.00 0.00 N ATOM 1215 CA PHE A 130 12.107 -2.858 -0.720 1.00 0.00 C ATOM 1216 C PHE A 130 11.829 -3.206 0.718 1.00 0.00 C ATOM 1217 O PHE A 130 11.315 -2.388 1.483 1.00 0.00 O ATOM 1218 CB PHE A 130 13.631 -2.823 -0.959 1.00 0.00 C ATOM 1219 CG PHE A 130 14.169 -1.561 -0.365 1.00 0.00 C ATOM 1220 CD1 PHE A 130 14.587 -1.509 0.956 1.00 0.00 C ATOM 1221 CD2 PHE A 130 14.312 -0.407 -1.144 1.00 0.00 C ATOM 1222 CE1 PHE A 130 15.056 -0.329 1.509 1.00 0.00 C ATOM 1223 CE2 PHE A 130 14.784 0.769 -0.592 1.00 0.00 C ATOM 1224 CZ PHE A 130 15.151 0.811 0.740 1.00 0.00 C ATOM 0 H PHE A 130 12.083 -0.804 -1.047 1.00 0.00 H new ATOM 0 HA PHE A 130 11.709 -3.607 -1.404 1.00 0.00 H new ATOM 0 HB2 PHE A 130 14.107 -3.691 -0.503 1.00 0.00 H new ATOM 0 HB3 PHE A 130 13.849 -2.864 -2.026 1.00 0.00 H new ATOM 0 HD1 PHE A 130 14.546 -2.402 1.563 1.00 0.00 H new ATOM 0 HD2 PHE A 130 14.050 -0.436 -2.191 1.00 0.00 H new ATOM 0 HE1 PHE A 130 15.349 -0.302 2.548 1.00 0.00 H new ATOM 0 HE2 PHE A 130 14.866 1.656 -1.202 1.00 0.00 H new ATOM 0 HZ PHE A 130 15.510 1.732 1.176 1.00 0.00 H new