USER MOD reduce.3.24.130724 H: found=0, std=0, add=1036, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 1036 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 73 LYS NZ :NH3+ 154:sc= 0.669 (180deg=0) USER MOD Set 1.2: A 74 ASN :FLIP amide:sc= 0.388 F(o=-2.1,f=1) USER MOD Set 1.3: A 75 ASN : amide:sc= -0.0551 K(o=1,f=-1.5) USER MOD Set 2.1: A 70 TYR OH : rot -56:sc= 0.359 USER MOD Set 2.2: A 71 ASN : amide:sc= -10! C(o=-9.7!,f=-15!) USER MOD Set 3.1: A 8 LYS NZ :NH3+ -168:sc= -0.625 (180deg=-0.897) USER MOD Set 3.2: A 97 TYR OH : rot 121:sc= 0.692 USER MOD Single : A 1 MET CE :methyl -163:sc= -1.44 (180deg=-2.79!) USER MOD Single : A 1 MET N :NH3+ -143:sc= 0.0512 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -2.89 K(o=-2.9,f=-7.2!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 HIS : no HD1:sc= -0.215 X(o=-0.21,f=-0.061) USER MOD Single : A 35 GLN : amide:sc= -2.55 K(o=-2.5,f=-3.9!) USER MOD Single : A 40 HIS : no HD1:sc= -1.02 X(o=-1,f=-1.3) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc=-0.00243 K(o=-0.0024,f=-1.4) USER MOD Single : A 53 ASN :FLIP amide:sc= -1.43 F(o=-2.5,f=-1.4) USER MOD Single : A 55 ASN : amide:sc= -0.0956 X(o=-0.096,f=-0.096) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN :FLIP amide:sc= -1.67 F(o=-2.3,f=-1.7) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0764) USER MOD Single : A 89 GLN : amide:sc= -5.6! C(o=-5.6!,f=-13!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 MET CE :methyl 145:sc= -2.61 (180deg=-4.88!) USER MOD Single : A 95 MET CE :methyl -158:sc= -3.49! (180deg=-5.24!) USER MOD Single : A 96 HIS : no HD1:sc= -0.642 K(o=-0.64,f=-2.2) USER MOD Single : A 99 THR OG1 : rot 180:sc= -1.06 USER MOD Single : A 103 ASN : amide:sc= -0.273 K(o=-0.27,f=-12!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 148:sc= -2.98 (180deg=-4.31!) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 TYR OH : rot 180:sc= -0.331 USER MOD Single : A 114 LYS NZ :NH3+ -111:sc= -0.329 (180deg=-1.21) USER MOD Single : A 118 GLN : amide:sc= -9.59! C(o=-9.6!,f=-21!) USER MOD Single : A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 122 ASN :FLIP amide:sc= -0.0829 F(o=-0.78,f=-0.083) USER MOD Single : A 125 GLN : amide:sc= 0.0917 K(o=0.092,f=-1.6) USER MOD Single : A 127 GLN : amide:sc= -8.08! C(o=-8.1!,f=-13!) USER MOD Single : A 130 THR OG1 : rot 180:sc= -0.119 USER MOD Single : A 131 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.969 3.432 18.110 1.00 0.00 N ATOM 2 CA MET A 1 11.927 2.632 16.858 1.00 0.00 C ATOM 3 C MET A 1 12.744 3.294 15.753 1.00 0.00 C ATOM 4 O MET A 1 13.517 4.218 16.008 1.00 0.00 O ATOM 5 CB MET A 1 10.467 2.487 16.422 1.00 0.00 C ATOM 6 CG MET A 1 10.140 1.122 15.839 1.00 0.00 C ATOM 7 SD MET A 1 9.364 0.023 17.040 1.00 0.00 S ATOM 8 CE MET A 1 10.577 -1.293 17.126 1.00 0.00 C ATOM 0 H1 MET A 1 11.999 2.793 18.930 1.00 0.00 H new ATOM 0 H2 MET A 1 12.817 4.034 18.109 1.00 0.00 H new ATOM 0 H3 MET A 1 11.120 4.030 18.168 1.00 0.00 H new ATOM 0 HA MET A 1 12.363 1.651 17.045 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.820 2.671 17.280 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.240 3.253 15.681 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.476 1.246 14.983 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.055 0.661 15.468 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.125 -2.176 17.578 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.922 -1.536 16.121 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.423 -0.969 17.732 1.00 0.00 H new ATOM 20 N ALA A 2 12.567 2.816 14.526 1.00 0.00 N ATOM 21 CA ALA A 2 13.287 3.362 13.382 1.00 0.00 C ATOM 22 C ALA A 2 12.986 4.845 13.199 1.00 0.00 C ATOM 23 O ALA A 2 13.829 5.607 12.727 1.00 0.00 O ATOM 24 CB ALA A 2 12.934 2.590 12.120 1.00 0.00 C ATOM 0 H ALA A 2 11.931 2.052 14.298 1.00 0.00 H new ATOM 0 HA ALA A 2 14.355 3.257 13.573 1.00 0.00 H new ATOM 0 HB1 ALA A 2 13.479 3.008 11.273 1.00 0.00 H new ATOM 0 HB2 ALA A 2 13.208 1.542 12.246 1.00 0.00 H new ATOM 0 HB3 ALA A 2 11.862 2.665 11.935 1.00 0.00 H new ATOM 30 N ASP A 3 11.777 5.249 13.577 1.00 0.00 N ATOM 31 CA ASP A 3 11.364 6.642 13.456 1.00 0.00 C ATOM 32 C ASP A 3 11.396 7.094 11.999 1.00 0.00 C ATOM 33 O ASP A 3 12.339 7.756 11.565 1.00 0.00 O ATOM 34 CB ASP A 3 12.268 7.540 14.301 1.00 0.00 C ATOM 35 CG ASP A 3 12.139 7.258 15.785 1.00 0.00 C ATOM 36 OD1 ASP A 3 11.857 6.096 16.146 1.00 0.00 O1- ATOM 37 OD2 ASP A 3 12.320 8.199 16.586 1.00 0.00 O ATOM 0 H ASP A 3 11.067 4.631 13.970 1.00 0.00 H new ATOM 0 HA ASP A 3 10.340 6.724 13.821 1.00 0.00 H new ATOM 0 HB2 ASP A 3 13.305 7.398 13.996 1.00 0.00 H new ATOM 0 HB3 ASP A 3 12.020 8.584 14.109 1.00 0.00 H new ATOM 42 N GLU A 4 10.361 6.732 11.249 1.00 0.00 N ATOM 43 CA GLU A 4 10.271 7.101 9.841 1.00 0.00 C ATOM 44 C GLU A 4 9.311 8.270 9.645 1.00 0.00 C ATOM 45 O GLU A 4 9.735 9.404 9.421 1.00 0.00 O ATOM 46 CB GLU A 4 9.812 5.903 9.007 1.00 0.00 C ATOM 47 CG GLU A 4 10.906 4.878 8.762 1.00 0.00 C ATOM 48 CD GLU A 4 10.417 3.681 7.970 1.00 0.00 C ATOM 49 OE1 GLU A 4 9.509 3.856 7.129 1.00 0.00 O1- ATOM 50 OE2 GLU A 4 10.940 2.569 8.190 1.00 0.00 O ATOM 0 H GLU A 4 9.573 6.183 11.592 1.00 0.00 H new ATOM 0 HA GLU A 4 11.262 7.409 9.508 1.00 0.00 H new ATOM 0 HB2 GLU A 4 8.977 5.417 9.513 1.00 0.00 H new ATOM 0 HB3 GLU A 4 9.439 6.261 8.047 1.00 0.00 H new ATOM 0 HG2 GLU A 4 11.729 5.351 8.227 1.00 0.00 H new ATOM 0 HG3 GLU A 4 11.302 4.539 9.719 1.00 0.00 H new ATOM 57 N GLN A 5 8.017 7.986 9.732 1.00 0.00 N ATOM 58 CA GLN A 5 6.995 9.013 9.564 1.00 0.00 C ATOM 59 C GLN A 5 5.730 8.655 10.342 1.00 0.00 C ATOM 60 O GLN A 5 4.634 8.617 9.781 1.00 0.00 O ATOM 61 CB GLN A 5 6.665 9.195 8.081 1.00 0.00 C ATOM 62 CG GLN A 5 7.832 9.717 7.258 1.00 0.00 C ATOM 63 CD GLN A 5 8.330 11.065 7.742 1.00 0.00 C ATOM 64 OE1 GLN A 5 7.552 11.897 8.207 1.00 0.00 O ATOM 65 NE2 GLN A 5 9.635 11.287 7.634 1.00 0.00 N ATOM 0 H GLN A 5 7.650 7.053 9.918 1.00 0.00 H new ATOM 0 HA GLN A 5 7.387 9.950 9.958 1.00 0.00 H new ATOM 0 HB2 GLN A 5 6.340 8.239 7.670 1.00 0.00 H new ATOM 0 HB3 GLN A 5 5.827 9.885 7.986 1.00 0.00 H new ATOM 0 HG2 GLN A 5 8.649 8.997 7.296 1.00 0.00 H new ATOM 0 HG3 GLN A 5 7.528 9.799 6.215 1.00 0.00 H new ATOM 0 HE21 GLN A 5 10.244 10.569 7.242 1.00 0.00 H new ATOM 0 HE22 GLN A 5 10.028 12.176 7.943 1.00 0.00 H new ATOM 74 N PRO A 6 5.865 8.385 11.652 1.00 0.00 N ATOM 75 CA PRO A 6 4.728 8.029 12.506 1.00 0.00 C ATOM 76 C PRO A 6 3.818 9.220 12.787 1.00 0.00 C ATOM 77 O PRO A 6 2.619 9.058 13.015 1.00 0.00 O ATOM 78 CB PRO A 6 5.393 7.548 13.797 1.00 0.00 C ATOM 79 CG PRO A 6 6.700 8.260 13.835 1.00 0.00 C ATOM 80 CD PRO A 6 7.136 8.407 12.403 1.00 0.00 C ATOM 0 HA PRO A 6 4.084 7.284 12.038 1.00 0.00 H new ATOM 0 HB2 PRO A 6 4.785 7.789 14.669 1.00 0.00 H new ATOM 0 HB3 PRO A 6 5.531 6.467 13.793 1.00 0.00 H new ATOM 0 HG2 PRO A 6 6.600 9.234 14.314 1.00 0.00 H new ATOM 0 HG3 PRO A 6 7.434 7.696 14.410 1.00 0.00 H new ATOM 0 HD2 PRO A 6 7.681 9.337 12.243 1.00 0.00 H new ATOM 0 HD3 PRO A 6 7.796 7.595 12.099 1.00 0.00 H new ATOM 88 N LYS A 7 4.395 10.417 12.768 1.00 0.00 N ATOM 89 CA LYS A 7 3.636 11.636 13.021 1.00 0.00 C ATOM 90 C LYS A 7 3.909 12.681 11.944 1.00 0.00 C ATOM 91 O LYS A 7 4.985 13.280 11.905 1.00 0.00 O ATOM 92 CB LYS A 7 3.984 12.203 14.399 1.00 0.00 C ATOM 93 CG LYS A 7 3.401 11.402 15.551 1.00 0.00 C ATOM 94 CD LYS A 7 4.411 10.412 16.108 1.00 0.00 C ATOM 95 CE LYS A 7 3.732 9.323 16.924 1.00 0.00 C ATOM 96 NZ LYS A 7 3.248 9.832 18.236 1.00 0.00 N1+ ATOM 0 H LYS A 7 5.386 10.569 12.580 1.00 0.00 H new ATOM 0 HA LYS A 7 2.576 11.385 12.997 1.00 0.00 H new ATOM 0 HB2 LYS A 7 5.068 12.239 14.505 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.623 13.230 14.462 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.081 12.080 16.342 1.00 0.00 H new ATOM 0 HG3 LYS A 7 2.514 10.867 15.211 1.00 0.00 H new ATOM 0 HD2 LYS A 7 4.969 9.959 15.288 1.00 0.00 H new ATOM 0 HD3 LYS A 7 5.133 10.939 16.732 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.892 8.917 16.360 1.00 0.00 H new ATOM 0 HE3 LYS A 7 4.431 8.503 17.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.792 9.059 18.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 4.053 10.196 18.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.561 10.597 18.080 1.00 0.00 H new ATOM 110 N LYS A 8 2.929 12.896 11.073 1.00 0.00 N ATOM 111 CA LYS A 8 3.064 13.870 9.995 1.00 0.00 C ATOM 112 C LYS A 8 1.777 13.960 9.179 1.00 0.00 C ATOM 113 O LYS A 8 0.973 13.027 9.167 1.00 0.00 O ATOM 114 CB LYS A 8 4.234 13.494 9.083 1.00 0.00 C ATOM 115 CG LYS A 8 4.273 12.019 8.719 1.00 0.00 C ATOM 116 CD LYS A 8 3.301 11.697 7.595 1.00 0.00 C ATOM 117 CE LYS A 8 3.859 10.632 6.664 1.00 0.00 C ATOM 118 NZ LYS A 8 3.713 9.264 7.234 1.00 0.00 N1+ ATOM 0 H LYS A 8 2.033 12.409 11.092 1.00 0.00 H new ATOM 0 HA LYS A 8 3.259 14.845 10.442 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.175 14.084 8.168 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.168 13.763 9.576 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.284 11.744 8.417 1.00 0.00 H new ATOM 0 HG3 LYS A 8 4.028 11.420 9.596 1.00 0.00 H new ATOM 0 HD2 LYS A 8 2.356 11.354 8.017 1.00 0.00 H new ATOM 0 HD3 LYS A 8 3.087 12.602 7.027 1.00 0.00 H new ATOM 0 HE2 LYS A 8 3.344 10.682 5.705 1.00 0.00 H new ATOM 0 HE3 LYS A 8 4.913 10.834 6.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 4.279 8.593 6.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 4.046 9.261 8.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.713 8.981 7.206 1.00 0.00 H new ATOM 132 N PRO A 9 1.564 15.089 8.481 1.00 0.00 N ATOM 133 CA PRO A 9 0.367 15.295 7.658 1.00 0.00 C ATOM 134 C PRO A 9 0.311 14.341 6.471 1.00 0.00 C ATOM 135 O PRO A 9 1.209 13.520 6.279 1.00 0.00 O ATOM 136 CB PRO A 9 0.503 16.742 7.176 1.00 0.00 C ATOM 137 CG PRO A 9 1.960 17.040 7.265 1.00 0.00 C ATOM 138 CD PRO A 9 2.471 16.250 8.436 1.00 0.00 C ATOM 0 HA PRO A 9 -0.548 15.107 8.220 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.138 16.854 6.155 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.078 17.422 7.799 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.474 16.754 6.347 1.00 0.00 H new ATOM 0 HG3 PRO A 9 2.132 18.107 7.408 1.00 0.00 H new ATOM 0 HD2 PRO A 9 3.508 15.946 8.295 1.00 0.00 H new ATOM 0 HD3 PRO A 9 2.432 16.828 9.359 1.00 0.00 H new ATOM 146 N VAL A 10 -0.748 14.452 5.676 1.00 0.00 N ATOM 147 CA VAL A 10 -0.918 13.597 4.507 1.00 0.00 C ATOM 148 C VAL A 10 -1.297 14.417 3.274 1.00 0.00 C ATOM 149 O VAL A 10 -1.840 15.515 3.391 1.00 0.00 O ATOM 150 CB VAL A 10 -1.989 12.513 4.756 1.00 0.00 C ATOM 151 CG1 VAL A 10 -1.753 11.827 6.093 1.00 0.00 C ATOM 152 CG2 VAL A 10 -3.390 13.105 4.697 1.00 0.00 C ATOM 0 H VAL A 10 -1.501 15.125 5.820 1.00 0.00 H new ATOM 0 HA VAL A 10 0.039 13.109 4.326 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.906 11.768 3.965 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.517 11.066 6.252 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.769 11.358 6.093 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.803 12.564 6.894 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.125 12.320 4.876 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.491 13.877 5.460 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.559 13.543 3.713 1.00 0.00 H new ATOM 162 N PRO A 11 -1.014 13.889 2.072 1.00 0.00 N ATOM 163 CA PRO A 11 -1.326 14.573 0.814 1.00 0.00 C ATOM 164 C PRO A 11 -2.812 14.516 0.476 1.00 0.00 C ATOM 165 O PRO A 11 -3.634 14.141 1.312 1.00 0.00 O ATOM 166 CB PRO A 11 -0.512 13.792 -0.217 1.00 0.00 C ATOM 167 CG PRO A 11 -0.411 12.418 0.349 1.00 0.00 C ATOM 168 CD PRO A 11 -0.367 12.583 1.845 1.00 0.00 C ATOM 0 HA PRO A 11 -1.086 15.636 0.854 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.005 13.785 -1.189 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.473 14.235 -0.362 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -1.264 11.810 0.049 1.00 0.00 H new ATOM 0 HG3 PRO A 11 0.484 11.912 -0.014 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -0.900 11.779 2.352 1.00 0.00 H new ATOM 0 HD3 PRO A 11 0.657 12.573 2.219 1.00 0.00 H new ATOM 176 N ALA A 12 -3.149 14.889 -0.754 1.00 0.00 N ATOM 177 CA ALA A 12 -4.536 14.879 -1.203 1.00 0.00 C ATOM 178 C ALA A 12 -4.655 14.284 -2.602 1.00 0.00 C ATOM 179 O ALA A 12 -4.073 14.798 -3.557 1.00 0.00 O ATOM 180 CB ALA A 12 -5.109 16.288 -1.175 1.00 0.00 C ATOM 0 H ALA A 12 -2.480 15.202 -1.458 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.110 14.252 -0.520 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -6.145 16.266 -1.513 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -5.067 16.678 -0.158 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -4.526 16.931 -1.834 1.00 0.00 H new ATOM 186 N ALA A 13 -5.412 13.198 -2.715 1.00 0.00 N ATOM 187 CA ALA A 13 -5.608 12.533 -3.998 1.00 0.00 C ATOM 188 C ALA A 13 -6.619 11.398 -3.880 1.00 0.00 C ATOM 189 O ALA A 13 -6.849 10.868 -2.793 1.00 0.00 O ATOM 190 CB ALA A 13 -4.281 12.008 -4.527 1.00 0.00 C ATOM 0 H ALA A 13 -5.900 12.760 -1.934 1.00 0.00 H new ATOM 0 HA ALA A 13 -6.004 13.265 -4.702 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.441 11.514 -5.485 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.588 12.839 -4.659 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.863 11.295 -3.817 1.00 0.00 H new ATOM 196 N GLU A 14 -7.219 11.028 -5.007 1.00 0.00 N ATOM 197 CA GLU A 14 -8.206 9.955 -5.031 1.00 0.00 C ATOM 198 C GLU A 14 -8.688 9.691 -6.454 1.00 0.00 C ATOM 199 O GLU A 14 -9.789 10.092 -6.832 1.00 0.00 O ATOM 200 CB GLU A 14 -9.395 10.305 -4.134 1.00 0.00 C ATOM 201 CG GLU A 14 -10.114 11.579 -4.547 1.00 0.00 C ATOM 202 CD GLU A 14 -10.510 12.436 -3.361 1.00 0.00 C ATOM 203 OE1 GLU A 14 -9.624 12.764 -2.544 1.00 0.00 O1- ATOM 204 OE2 GLU A 14 -11.705 12.780 -3.249 1.00 0.00 O ATOM 0 H GLU A 14 -7.039 11.456 -5.915 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.730 9.050 -4.654 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -10.104 9.477 -4.145 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -9.046 10.411 -3.107 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.469 12.157 -5.209 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -11.006 11.320 -5.117 1.00 0.00 H new ATOM 211 N GLU A 15 -7.857 9.013 -7.239 1.00 0.00 N ATOM 212 CA GLU A 15 -8.199 8.696 -8.621 1.00 0.00 C ATOM 213 C GLU A 15 -7.396 7.498 -9.119 1.00 0.00 C ATOM 214 O GLU A 15 -6.552 6.961 -8.401 1.00 0.00 O ATOM 215 CB GLU A 15 -7.944 9.905 -9.522 1.00 0.00 C ATOM 216 CG GLU A 15 -9.147 10.824 -9.662 1.00 0.00 C ATOM 217 CD GLU A 15 -10.383 10.096 -10.151 1.00 0.00 C ATOM 218 OE1 GLU A 15 -11.132 9.564 -9.305 1.00 0.00 O1- ATOM 219 OE2 GLU A 15 -10.602 10.057 -11.380 1.00 0.00 O ATOM 0 H GLU A 15 -6.942 8.673 -6.942 1.00 0.00 H new ATOM 0 HA GLU A 15 -9.258 8.442 -8.657 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.106 10.476 -9.122 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.648 9.555 -10.511 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.360 11.287 -8.698 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.906 11.629 -10.356 1.00 0.00 H new ATOM 226 N ALA A 16 -7.665 7.084 -10.353 1.00 0.00 N ATOM 227 CA ALA A 16 -6.968 5.951 -10.948 1.00 0.00 C ATOM 228 C ALA A 16 -6.454 6.294 -12.345 1.00 0.00 C ATOM 229 O ALA A 16 -6.813 7.327 -12.910 1.00 0.00 O ATOM 230 CB ALA A 16 -7.885 4.737 -11.002 1.00 0.00 C ATOM 0 H ALA A 16 -8.361 7.517 -10.960 1.00 0.00 H new ATOM 0 HA ALA A 16 -6.108 5.714 -10.322 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.352 3.898 -11.449 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -8.198 4.472 -9.992 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -8.763 4.971 -11.604 1.00 0.00 H new ATOM 236 N PRO A 17 -5.603 5.427 -12.922 1.00 0.00 N ATOM 237 CA PRO A 17 -5.042 5.645 -14.257 1.00 0.00 C ATOM 238 C PRO A 17 -6.058 5.382 -15.363 1.00 0.00 C ATOM 239 O PRO A 17 -7.169 4.922 -15.102 1.00 0.00 O ATOM 240 CB PRO A 17 -3.901 4.631 -14.325 1.00 0.00 C ATOM 241 CG PRO A 17 -4.324 3.526 -13.420 1.00 0.00 C ATOM 242 CD PRO A 17 -5.122 4.169 -12.317 1.00 0.00 C ATOM 0 HA PRO A 17 -4.725 6.677 -14.406 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -3.749 4.273 -15.343 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -2.959 5.072 -13.999 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -4.924 2.791 -13.957 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -3.459 2.999 -13.018 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -5.950 3.535 -12.000 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -4.508 4.357 -11.436 1.00 0.00 H new ATOM 250 N ALA A 18 -5.668 5.676 -16.599 1.00 0.00 N ATOM 251 CA ALA A 18 -6.545 5.471 -17.746 1.00 0.00 C ATOM 252 C ALA A 18 -6.115 4.252 -18.555 1.00 0.00 C ATOM 253 O ALA A 18 -5.046 4.246 -19.166 1.00 0.00 O ATOM 254 CB ALA A 18 -6.562 6.712 -18.625 1.00 0.00 C ATOM 0 H ALA A 18 -4.751 6.057 -16.832 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.553 5.289 -17.374 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.221 6.545 -19.477 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -6.925 7.562 -18.047 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -5.553 6.919 -18.981 1.00 0.00 H new ATOM 260 N ALA A 19 -6.954 3.222 -18.555 1.00 0.00 N ATOM 261 CA ALA A 19 -6.660 1.997 -19.289 1.00 0.00 C ATOM 262 C ALA A 19 -5.370 1.355 -18.792 1.00 0.00 C ATOM 263 O ALA A 19 -4.818 1.759 -17.769 1.00 0.00 O ATOM 264 CB ALA A 19 -6.568 2.286 -20.780 1.00 0.00 C ATOM 0 H ALA A 19 -7.843 3.211 -18.055 1.00 0.00 H new ATOM 0 HA ALA A 19 -7.474 1.294 -19.115 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.348 1.363 -21.317 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -7.516 2.693 -21.131 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.773 3.010 -20.962 1.00 0.00 H new ATOM 270 N GLU A 20 -4.895 0.352 -19.523 1.00 0.00 N ATOM 271 CA GLU A 20 -3.668 -0.347 -19.156 1.00 0.00 C ATOM 272 C GLU A 20 -3.803 -0.998 -17.783 1.00 0.00 C ATOM 273 O GLU A 20 -3.470 -0.395 -16.763 1.00 0.00 O ATOM 274 CB GLU A 20 -2.484 0.622 -19.159 1.00 0.00 C ATOM 275 CG GLU A 20 -1.136 -0.066 -19.301 1.00 0.00 C ATOM 276 CD GLU A 20 -0.067 0.561 -18.429 1.00 0.00 C ATOM 277 OE1 GLU A 20 -0.009 1.807 -18.364 1.00 0.00 O1- ATOM 278 OE2 GLU A 20 0.713 -0.193 -17.810 1.00 0.00 O ATOM 0 H GLU A 20 -5.340 0.005 -20.372 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.490 -1.129 -19.894 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.608 1.332 -19.977 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.493 1.197 -18.233 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -1.241 -1.119 -19.040 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -0.819 -0.025 -20.343 1.00 0.00 H new ATOM 285 N ALA A 21 -4.294 -2.233 -17.765 1.00 0.00 N ATOM 286 CA ALA A 21 -4.473 -2.966 -16.518 1.00 0.00 C ATOM 287 C ALA A 21 -4.762 -4.440 -16.784 1.00 0.00 C ATOM 288 O ALA A 21 -5.518 -5.076 -16.051 1.00 0.00 O ATOM 289 CB ALA A 21 -5.594 -2.346 -15.698 1.00 0.00 C ATOM 0 H ALA A 21 -4.575 -2.747 -18.600 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.544 -2.902 -15.951 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -5.717 -2.903 -14.769 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.347 -1.309 -15.469 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.523 -2.380 -16.267 1.00 0.00 H new ATOM 295 N GLU A 22 -4.156 -4.976 -17.839 1.00 0.00 N ATOM 296 CA GLU A 22 -4.348 -6.375 -18.202 1.00 0.00 C ATOM 297 C GLU A 22 -3.114 -7.201 -17.856 1.00 0.00 C ATOM 298 O GLU A 22 -1.992 -6.694 -17.865 1.00 0.00 O ATOM 299 CB GLU A 22 -4.657 -6.498 -19.695 1.00 0.00 C ATOM 300 CG GLU A 22 -3.593 -5.883 -20.589 1.00 0.00 C ATOM 301 CD GLU A 22 -3.928 -6.005 -22.063 1.00 0.00 C ATOM 302 OE1 GLU A 22 -5.131 -6.019 -22.399 1.00 0.00 O ATOM 303 OE2 GLU A 22 -2.988 -6.087 -22.881 1.00 0.00 O1- ATOM 0 H GLU A 22 -3.528 -4.462 -18.457 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.192 -6.760 -17.631 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.768 -7.552 -19.949 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.614 -6.018 -19.900 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.473 -4.830 -20.333 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.636 -6.369 -20.396 1.00 0.00 H new ATOM 310 N ALA A 23 -3.328 -8.477 -17.553 1.00 0.00 N ATOM 311 CA ALA A 23 -2.233 -9.374 -17.205 1.00 0.00 C ATOM 312 C ALA A 23 -1.494 -8.883 -15.965 1.00 0.00 C ATOM 313 O ALA A 23 -0.813 -7.858 -16.002 1.00 0.00 O ATOM 314 CB ALA A 23 -1.272 -9.512 -18.376 1.00 0.00 C ATOM 0 H ALA A 23 -4.250 -8.913 -17.542 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.655 -10.353 -16.979 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.459 -10.185 -18.102 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.804 -9.917 -19.237 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.864 -8.534 -18.629 1.00 0.00 H new ATOM 320 N GLU A 24 -1.632 -9.620 -14.869 1.00 0.00 N ATOM 321 CA GLU A 24 -0.977 -9.259 -13.617 1.00 0.00 C ATOM 322 C GLU A 24 0.349 -9.998 -13.464 1.00 0.00 C ATOM 323 O GLU A 24 0.542 -11.071 -14.035 1.00 0.00 O ATOM 324 CB GLU A 24 -1.889 -9.573 -12.430 1.00 0.00 C ATOM 325 CG GLU A 24 -2.866 -8.456 -12.101 1.00 0.00 C ATOM 326 CD GLU A 24 -2.262 -7.401 -11.196 1.00 0.00 C ATOM 327 OE1 GLU A 24 -2.203 -7.634 -9.970 1.00 0.00 O ATOM 328 OE2 GLU A 24 -1.848 -6.342 -11.712 1.00 0.00 O1- ATOM 0 H GLU A 24 -2.192 -10.471 -14.822 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.776 -8.188 -13.637 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.449 -10.483 -12.644 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -1.274 -9.776 -11.554 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -3.201 -7.987 -13.026 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.748 -8.880 -11.621 1.00 0.00 H new ATOM 335 N GLU A 25 1.259 -9.416 -12.689 1.00 0.00 N ATOM 336 CA GLU A 25 2.566 -10.020 -12.461 1.00 0.00 C ATOM 337 C GLU A 25 2.655 -10.611 -11.058 1.00 0.00 C ATOM 338 O GLU A 25 2.432 -9.917 -10.066 1.00 0.00 O ATOM 339 CB GLU A 25 3.672 -8.982 -12.660 1.00 0.00 C ATOM 340 CG GLU A 25 4.989 -9.578 -13.129 1.00 0.00 C ATOM 341 CD GLU A 25 5.931 -8.536 -13.700 1.00 0.00 C ATOM 342 OE1 GLU A 25 5.721 -8.118 -14.858 1.00 0.00 O ATOM 343 OE2 GLU A 25 6.877 -8.138 -12.989 1.00 0.00 O1- ATOM 0 H GLU A 25 1.115 -8.528 -12.209 1.00 0.00 H new ATOM 0 HA GLU A 25 2.698 -10.825 -13.184 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.338 -8.242 -13.388 1.00 0.00 H new ATOM 0 HB3 GLU A 25 3.836 -8.454 -11.721 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.474 -10.081 -12.293 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.791 -10.337 -13.886 1.00 0.00 H new ATOM 350 N GLU A 26 2.982 -11.897 -10.982 1.00 0.00 N ATOM 351 CA GLU A 26 3.101 -12.582 -9.701 1.00 0.00 C ATOM 352 C GLU A 26 1.778 -12.548 -8.942 1.00 0.00 C ATOM 353 O GLU A 26 1.349 -11.496 -8.468 1.00 0.00 O ATOM 354 CB GLU A 26 4.203 -11.940 -8.856 1.00 0.00 C ATOM 355 CG GLU A 26 4.490 -12.685 -7.562 1.00 0.00 C ATOM 356 CD GLU A 26 5.580 -13.727 -7.720 1.00 0.00 C ATOM 357 OE1 GLU A 26 6.766 -13.342 -7.777 1.00 0.00 O1- ATOM 358 OE2 GLU A 26 5.246 -14.929 -7.785 1.00 0.00 O ATOM 0 H GLU A 26 3.169 -12.486 -11.794 1.00 0.00 H new ATOM 0 HA GLU A 26 3.362 -13.622 -9.896 1.00 0.00 H new ATOM 0 HB2 GLU A 26 5.118 -11.888 -9.446 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.917 -10.915 -8.620 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.784 -11.971 -6.793 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.577 -13.169 -7.215 1.00 0.00 H new ATOM 365 N GLU A 27 1.136 -13.707 -8.830 1.00 0.00 N ATOM 366 CA GLU A 27 -0.138 -13.810 -8.129 1.00 0.00 C ATOM 367 C GLU A 27 -1.194 -12.927 -8.785 1.00 0.00 C ATOM 368 O GLU A 27 -1.438 -11.803 -8.345 1.00 0.00 O ATOM 369 CB GLU A 27 0.032 -13.417 -6.660 1.00 0.00 C ATOM 370 CG GLU A 27 0.607 -14.527 -5.796 1.00 0.00 C ATOM 371 CD GLU A 27 -0.466 -15.315 -5.070 1.00 0.00 C ATOM 372 OE1 GLU A 27 -1.288 -15.965 -5.750 1.00 0.00 O ATOM 373 OE2 GLU A 27 -0.484 -15.283 -3.821 1.00 0.00 O1- ATOM 0 H GLU A 27 1.478 -14.587 -9.216 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.472 -14.846 -8.185 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.684 -12.546 -6.599 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.936 -13.119 -6.258 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.190 -15.204 -6.421 1.00 0.00 H new ATOM 0 HG3 GLU A 27 1.293 -14.096 -5.066 1.00 0.00 H new ATOM 380 N GLY A 28 -1.816 -13.442 -9.840 1.00 0.00 N ATOM 381 CA GLY A 28 -2.839 -12.686 -10.540 1.00 0.00 C ATOM 382 C GLY A 28 -4.233 -12.982 -10.024 1.00 0.00 C ATOM 383 O GLY A 28 -4.984 -13.736 -10.643 1.00 0.00 O ATOM 0 H GLY A 28 -1.630 -14.369 -10.223 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -2.635 -11.620 -10.435 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -2.792 -12.916 -11.604 1.00 0.00 H new ATOM 387 N LEU A 29 -4.581 -12.387 -8.888 1.00 0.00 N ATOM 388 CA LEU A 29 -5.895 -12.590 -8.289 1.00 0.00 C ATOM 389 C LEU A 29 -6.997 -12.075 -9.209 1.00 0.00 C ATOM 390 O LEU A 29 -6.955 -10.932 -9.665 1.00 0.00 O ATOM 391 CB LEU A 29 -5.975 -11.887 -6.933 1.00 0.00 C ATOM 392 CG LEU A 29 -5.486 -12.716 -5.744 1.00 0.00 C ATOM 393 CD1 LEU A 29 -6.304 -13.991 -5.609 1.00 0.00 C ATOM 394 CD2 LEU A 29 -4.008 -13.042 -5.896 1.00 0.00 C ATOM 0 H LEU A 29 -3.971 -11.760 -8.363 1.00 0.00 H new ATOM 0 HA LEU A 29 -6.039 -13.661 -8.143 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.389 -10.969 -6.982 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -7.010 -11.596 -6.752 1.00 0.00 H new ATOM 0 HG LEU A 29 -5.617 -12.128 -4.836 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.941 -14.567 -4.758 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.352 -13.736 -5.454 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.205 -14.585 -6.518 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.676 -13.632 -5.042 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.853 -13.611 -6.813 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.434 -12.116 -5.943 1.00 0.00 H new ATOM 406 N HIS A 30 -7.983 -12.925 -9.476 1.00 0.00 N ATOM 407 CA HIS A 30 -9.098 -12.555 -10.341 1.00 0.00 C ATOM 408 C HIS A 30 -10.195 -11.856 -9.545 1.00 0.00 C ATOM 409 O HIS A 30 -11.172 -12.483 -9.134 1.00 0.00 O ATOM 410 CB HIS A 30 -9.665 -13.794 -11.035 1.00 0.00 C ATOM 411 CG HIS A 30 -10.228 -13.514 -12.394 1.00 0.00 C ATOM 412 ND1 HIS A 30 -11.274 -14.230 -12.938 1.00 0.00 N ATOM 413 CD2 HIS A 30 -9.887 -12.588 -13.321 1.00 0.00 C ATOM 414 CE1 HIS A 30 -11.550 -13.758 -14.141 1.00 0.00 C ATOM 415 NE2 HIS A 30 -10.723 -12.761 -14.396 1.00 0.00 N ATOM 0 H HIS A 30 -8.033 -13.874 -9.106 1.00 0.00 H new ATOM 0 HA HIS A 30 -8.726 -11.863 -11.096 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -8.878 -14.543 -11.124 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -10.446 -14.226 -10.409 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -9.103 -11.850 -13.231 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -12.321 -14.125 -14.803 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -10.708 -12.209 -15.253 1.00 0.00 H new ATOM 424 N LEU A 31 -10.028 -10.555 -9.332 1.00 0.00 N ATOM 425 CA LEU A 31 -11.005 -9.771 -8.585 1.00 0.00 C ATOM 426 C LEU A 31 -11.369 -8.496 -9.339 1.00 0.00 C ATOM 427 O LEU A 31 -10.494 -7.738 -9.757 1.00 0.00 O ATOM 428 CB LEU A 31 -10.457 -9.420 -7.200 1.00 0.00 C ATOM 429 CG LEU A 31 -11.453 -8.733 -6.265 1.00 0.00 C ATOM 430 CD1 LEU A 31 -11.194 -9.134 -4.821 1.00 0.00 C ATOM 431 CD2 LEU A 31 -11.375 -7.221 -6.423 1.00 0.00 C ATOM 0 H LEU A 31 -9.225 -10.021 -9.666 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.906 -10.373 -8.469 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -10.105 -10.335 -6.723 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -9.590 -8.771 -7.323 1.00 0.00 H new ATOM 0 HG LEU A 31 -12.459 -9.056 -6.535 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.912 -8.635 -4.170 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -11.300 -10.214 -4.719 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.183 -8.841 -4.538 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -12.090 -6.748 -5.750 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.368 -6.881 -6.180 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -11.610 -6.950 -7.452 1.00 0.00 H new ATOM 443 N GLU A 32 -12.667 -8.266 -9.508 1.00 0.00 N ATOM 444 CA GLU A 32 -13.148 -7.082 -10.211 1.00 0.00 C ATOM 445 C GLU A 32 -14.298 -6.428 -9.452 1.00 0.00 C ATOM 446 O GLU A 32 -15.465 -6.752 -9.673 1.00 0.00 O ATOM 447 CB GLU A 32 -13.600 -7.452 -11.625 1.00 0.00 C ATOM 448 CG GLU A 32 -12.569 -8.254 -12.403 1.00 0.00 C ATOM 449 CD GLU A 32 -12.917 -8.379 -13.873 1.00 0.00 C ATOM 450 OE1 GLU A 32 -14.088 -8.684 -14.182 1.00 0.00 O1- ATOM 451 OE2 GLU A 32 -12.018 -8.173 -14.716 1.00 0.00 O ATOM 0 H GLU A 32 -13.404 -8.883 -9.168 1.00 0.00 H new ATOM 0 HA GLU A 32 -12.326 -6.369 -10.274 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -14.524 -8.027 -11.563 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -13.828 -6.539 -12.175 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -11.593 -7.778 -12.303 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.484 -9.250 -11.967 1.00 0.00 H new ATOM 458 N ASP A 33 -13.961 -5.506 -8.557 1.00 0.00 N ATOM 459 CA ASP A 33 -14.965 -4.806 -7.764 1.00 0.00 C ATOM 460 C ASP A 33 -14.725 -3.300 -7.789 1.00 0.00 C ATOM 461 O ASP A 33 -14.948 -2.610 -6.795 1.00 0.00 O ATOM 462 CB ASP A 33 -14.951 -5.313 -6.321 1.00 0.00 C ATOM 463 CG ASP A 33 -16.335 -5.339 -5.704 1.00 0.00 C ATOM 464 OD1 ASP A 33 -16.796 -4.277 -5.234 1.00 0.00 O ATOM 465 OD2 ASP A 33 -16.960 -6.420 -5.690 1.00 0.00 O1- ATOM 0 H ASP A 33 -13.000 -5.226 -8.362 1.00 0.00 H new ATOM 0 HA ASP A 33 -15.943 -5.007 -8.202 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -14.526 -6.316 -6.295 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -14.301 -4.676 -5.721 1.00 0.00 H new ATOM 470 N ASP A 34 -14.269 -2.797 -8.932 1.00 0.00 N ATOM 471 CA ASP A 34 -13.999 -1.373 -9.087 1.00 0.00 C ATOM 472 C ASP A 34 -12.923 -0.913 -8.108 1.00 0.00 C ATOM 473 O ASP A 34 -13.136 -0.904 -6.895 1.00 0.00 O ATOM 474 CB ASP A 34 -15.279 -0.563 -8.872 1.00 0.00 C ATOM 475 CG ASP A 34 -15.367 0.635 -9.797 1.00 0.00 C ATOM 476 OD1 ASP A 34 -14.765 0.587 -10.891 1.00 0.00 O ATOM 477 OD2 ASP A 34 -16.038 1.622 -9.429 1.00 0.00 O1- ATOM 0 H ASP A 34 -14.079 -3.355 -9.764 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.637 -1.206 -10.102 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -16.144 -1.206 -9.032 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -15.321 -0.223 -7.837 1.00 0.00 H new ATOM 482 N GLN A 35 -11.767 -0.533 -8.642 1.00 0.00 N ATOM 483 CA GLN A 35 -10.658 -0.072 -7.816 1.00 0.00 C ATOM 484 C GLN A 35 -10.206 -1.165 -6.853 1.00 0.00 C ATOM 485 O GLN A 35 -10.732 -2.278 -6.871 1.00 0.00 O ATOM 486 CB GLN A 35 -11.063 1.178 -7.032 1.00 0.00 C ATOM 487 CG GLN A 35 -11.356 2.381 -7.915 1.00 0.00 C ATOM 488 CD GLN A 35 -12.597 2.190 -8.766 1.00 0.00 C ATOM 489 OE1 GLN A 35 -13.714 2.457 -8.323 1.00 0.00 O ATOM 490 NE2 GLN A 35 -12.405 1.726 -9.995 1.00 0.00 N ATOM 0 H GLN A 35 -11.574 -0.535 -9.644 1.00 0.00 H new ATOM 0 HA GLN A 35 -9.825 0.175 -8.475 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -11.947 0.952 -6.435 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -10.265 1.435 -6.336 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -11.481 3.265 -7.289 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -10.500 2.568 -8.564 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -11.461 1.518 -10.320 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -13.202 1.577 -10.614 1.00 0.00 H new ATOM 499 N GLU A 36 -9.227 -0.841 -6.014 1.00 0.00 N ATOM 500 CA GLU A 36 -8.704 -1.795 -5.044 1.00 0.00 C ATOM 501 C GLU A 36 -9.009 -1.344 -3.617 1.00 0.00 C ATOM 502 O GLU A 36 -8.200 -0.664 -2.987 1.00 0.00 O ATOM 503 CB GLU A 36 -7.194 -1.964 -5.226 1.00 0.00 C ATOM 504 CG GLU A 36 -6.817 -2.791 -6.444 1.00 0.00 C ATOM 505 CD GLU A 36 -7.497 -4.146 -6.461 1.00 0.00 C ATOM 506 OE1 GLU A 36 -8.684 -4.210 -6.846 1.00 0.00 O ATOM 507 OE2 GLU A 36 -6.843 -5.144 -6.091 1.00 0.00 O1- ATOM 0 H GLU A 36 -8.780 0.076 -5.987 1.00 0.00 H new ATOM 0 HA GLU A 36 -9.193 -2.754 -5.215 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.734 -0.979 -5.309 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.779 -2.435 -4.335 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.084 -2.243 -7.348 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -5.736 -2.931 -6.464 1.00 0.00 H new ATOM 514 N PRO A 37 -10.186 -1.720 -3.088 1.00 0.00 N ATOM 515 CA PRO A 37 -10.594 -1.351 -1.728 1.00 0.00 C ATOM 516 C PRO A 37 -9.534 -1.702 -0.690 1.00 0.00 C ATOM 517 O PRO A 37 -8.454 -2.185 -1.030 1.00 0.00 O ATOM 518 CB PRO A 37 -11.861 -2.177 -1.499 1.00 0.00 C ATOM 519 CG PRO A 37 -12.404 -2.424 -2.864 1.00 0.00 C ATOM 520 CD PRO A 37 -11.209 -2.533 -3.771 1.00 0.00 C ATOM 0 HA PRO A 37 -10.747 -0.277 -1.627 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -11.636 -3.113 -0.987 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -12.578 -1.639 -0.879 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.997 -3.338 -2.889 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -13.059 -1.611 -3.177 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -10.887 -3.568 -3.889 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -11.426 -2.151 -4.769 1.00 0.00 H new ATOM 528 N ARG A 38 -9.850 -1.456 0.578 1.00 0.00 N ATOM 529 CA ARG A 38 -8.924 -1.747 1.666 1.00 0.00 C ATOM 530 C ARG A 38 -9.638 -2.452 2.814 1.00 0.00 C ATOM 531 O ARG A 38 -10.858 -2.617 2.792 1.00 0.00 O ATOM 532 CB ARG A 38 -8.275 -0.456 2.170 1.00 0.00 C ATOM 533 CG ARG A 38 -9.270 0.661 2.438 1.00 0.00 C ATOM 534 CD ARG A 38 -9.801 0.605 3.861 1.00 0.00 C ATOM 535 NE ARG A 38 -11.214 0.967 3.934 1.00 0.00 N ATOM 536 CZ ARG A 38 -12.003 0.676 4.966 1.00 0.00 C ATOM 537 NH1 ARG A 38 -11.520 0.019 6.013 1.00 0.00 N1+ ATOM 538 NH2 ARG A 38 -13.277 1.042 4.951 1.00 0.00 N ATOM 0 H ARG A 38 -10.740 -1.056 0.877 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.149 -2.410 1.282 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -7.726 -0.669 3.087 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -7.547 -0.114 1.434 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -8.792 1.625 2.265 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -10.100 0.586 1.736 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -9.664 -0.400 4.260 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -9.221 1.280 4.491 1.00 0.00 H new ATOM 0 HE ARG A 38 -11.621 1.473 3.147 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -10.541 -0.265 6.029 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -12.128 -0.202 6.801 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -13.653 1.547 4.148 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -13.881 0.819 5.742 1.00 0.00 H new ATOM 552 N GLU A 39 -8.870 -2.867 3.816 1.00 0.00 N ATOM 553 CA GLU A 39 -9.430 -3.556 4.974 1.00 0.00 C ATOM 554 C GLU A 39 -9.421 -2.651 6.202 1.00 0.00 C ATOM 555 O GLU A 39 -9.071 -1.474 6.115 1.00 0.00 O ATOM 556 CB GLU A 39 -8.642 -4.835 5.263 1.00 0.00 C ATOM 557 CG GLU A 39 -7.194 -4.583 5.648 1.00 0.00 C ATOM 558 CD GLU A 39 -6.242 -5.585 5.024 1.00 0.00 C ATOM 559 OE1 GLU A 39 -6.534 -6.065 3.909 1.00 0.00 O1- ATOM 560 OE2 GLU A 39 -5.205 -5.889 5.651 1.00 0.00 O ATOM 0 H GLU A 39 -7.859 -2.739 3.850 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.463 -3.818 4.745 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -9.134 -5.381 6.068 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -8.669 -5.475 4.381 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.910 -3.577 5.340 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.098 -4.623 6.733 1.00 0.00 H new ATOM 567 N HIS A 40 -9.808 -3.209 7.345 1.00 0.00 N ATOM 568 CA HIS A 40 -9.844 -2.452 8.591 1.00 0.00 C ATOM 569 C HIS A 40 -8.717 -2.887 9.525 1.00 0.00 C ATOM 570 O HIS A 40 -8.903 -3.766 10.367 1.00 0.00 O ATOM 571 CB HIS A 40 -11.195 -2.635 9.283 1.00 0.00 C ATOM 572 CG HIS A 40 -11.616 -4.066 9.406 1.00 0.00 C ATOM 573 ND1 HIS A 40 -11.452 -4.803 10.561 1.00 0.00 N ATOM 574 CD2 HIS A 40 -12.198 -4.899 8.511 1.00 0.00 C ATOM 575 CE1 HIS A 40 -11.914 -6.026 10.370 1.00 0.00 C ATOM 576 NE2 HIS A 40 -12.373 -6.110 9.135 1.00 0.00 N ATOM 0 H HIS A 40 -10.101 -4.182 7.434 1.00 0.00 H new ATOM 0 HA HIS A 40 -9.706 -1.398 8.351 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -11.147 -2.192 10.278 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -11.956 -2.088 8.727 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -12.473 -4.656 7.495 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -11.916 -6.822 11.100 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -12.790 -6.940 8.713 1.00 0.00 H new ATOM 585 N PRO A 41 -7.529 -2.274 9.388 1.00 0.00 N ATOM 586 CA PRO A 41 -6.370 -2.603 10.225 1.00 0.00 C ATOM 587 C PRO A 41 -6.551 -2.147 11.669 1.00 0.00 C ATOM 588 O PRO A 41 -7.089 -1.070 11.928 1.00 0.00 O ATOM 589 CB PRO A 41 -5.223 -1.837 9.562 1.00 0.00 C ATOM 590 CG PRO A 41 -5.882 -0.701 8.860 1.00 0.00 C ATOM 591 CD PRO A 41 -7.222 -1.214 8.409 1.00 0.00 C ATOM 0 HA PRO A 41 -6.203 -3.678 10.285 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -4.505 -1.482 10.301 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -4.676 -2.470 8.864 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -5.996 0.155 9.525 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -5.285 -0.368 8.011 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -7.977 -0.428 8.418 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -7.181 -1.605 7.392 1.00 0.00 H new ATOM 599 N ILE A 42 -6.098 -2.973 12.606 1.00 0.00 N ATOM 600 CA ILE A 42 -6.210 -2.654 14.024 1.00 0.00 C ATOM 601 C ILE A 42 -5.051 -1.775 14.483 1.00 0.00 C ATOM 602 O ILE A 42 -3.997 -1.739 13.848 1.00 0.00 O ATOM 603 CB ILE A 42 -6.250 -3.933 14.886 1.00 0.00 C ATOM 604 CG1 ILE A 42 -6.489 -3.582 16.355 1.00 0.00 C ATOM 605 CG2 ILE A 42 -4.958 -4.722 14.727 1.00 0.00 C ATOM 606 CD1 ILE A 42 -6.788 -4.784 17.224 1.00 0.00 C ATOM 0 H ILE A 42 -5.650 -3.868 12.409 1.00 0.00 H new ATOM 0 HA ILE A 42 -7.145 -2.110 14.155 1.00 0.00 H new ATOM 0 HB ILE A 42 -7.077 -4.555 14.543 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -5.609 -3.072 16.746 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -7.320 -2.880 16.422 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.003 -5.621 15.342 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.830 -5.003 13.682 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.115 -4.108 15.044 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -6.946 -4.459 18.252 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -7.686 -5.283 16.859 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.948 -5.477 17.188 1.00 0.00 H new ATOM 618 N MET A 43 -5.253 -1.066 15.589 1.00 0.00 N ATOM 619 CA MET A 43 -4.225 -0.186 16.133 1.00 0.00 C ATOM 620 C MET A 43 -2.951 -0.964 16.445 1.00 0.00 C ATOM 621 O MET A 43 -2.866 -2.165 16.188 1.00 0.00 O ATOM 622 CB MET A 43 -4.735 0.507 17.398 1.00 0.00 C ATOM 623 CG MET A 43 -5.220 -0.460 18.467 1.00 0.00 C ATOM 624 SD MET A 43 -6.666 0.152 19.353 1.00 0.00 S ATOM 625 CE MET A 43 -7.594 -1.364 19.574 1.00 0.00 C ATOM 0 H MET A 43 -6.120 -1.084 16.126 1.00 0.00 H new ATOM 0 HA MET A 43 -3.993 0.568 15.381 1.00 0.00 H new ATOM 0 HB2 MET A 43 -3.937 1.123 17.812 1.00 0.00 H new ATOM 0 HB3 MET A 43 -5.550 1.179 17.131 1.00 0.00 H new ATOM 0 HG2 MET A 43 -5.461 -1.417 18.004 1.00 0.00 H new ATOM 0 HG3 MET A 43 -4.414 -0.644 19.178 1.00 0.00 H new ATOM 0 HE1 MET A 43 -8.519 -1.150 20.109 1.00 0.00 H new ATOM 0 HE2 MET A 43 -7.829 -1.792 18.600 1.00 0.00 H new ATOM 0 HE3 MET A 43 -6.999 -2.074 20.148 1.00 0.00 H new ATOM 635 N GLY A 44 -1.962 -0.272 17.001 1.00 0.00 N ATOM 636 CA GLY A 44 -0.705 -0.914 17.340 1.00 0.00 C ATOM 637 C GLY A 44 0.458 0.058 17.355 1.00 0.00 C ATOM 638 O GLY A 44 0.294 1.226 17.708 1.00 0.00 O ATOM 0 H GLY A 44 -2.008 0.722 17.223 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.794 -1.385 18.319 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.501 -1.708 16.622 1.00 0.00 H new ATOM 642 N GLY A 45 1.635 -0.424 16.973 1.00 0.00 N ATOM 643 CA GLY A 45 2.813 0.423 16.951 1.00 0.00 C ATOM 644 C GLY A 45 3.627 0.252 15.684 1.00 0.00 C ATOM 645 O GLY A 45 3.102 -0.165 14.652 1.00 0.00 O ATOM 0 H GLY A 45 1.795 -1.387 16.678 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.509 1.465 17.046 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.438 0.194 17.814 1.00 0.00 H new ATOM 649 N ILE A 46 4.914 0.576 15.762 1.00 0.00 N ATOM 650 CA ILE A 46 5.803 0.456 14.613 1.00 0.00 C ATOM 651 C ILE A 46 6.591 -0.849 14.661 1.00 0.00 C ATOM 652 O ILE A 46 7.758 -0.898 14.271 1.00 0.00 O ATOM 653 CB ILE A 46 6.790 1.638 14.540 1.00 0.00 C ATOM 654 CG1 ILE A 46 6.049 2.963 14.722 1.00 0.00 C ATOM 655 CG2 ILE A 46 7.539 1.622 13.216 1.00 0.00 C ATOM 656 CD1 ILE A 46 5.017 3.232 13.648 1.00 0.00 C ATOM 0 H ILE A 46 5.364 0.924 16.609 1.00 0.00 H new ATOM 0 HA ILE A 46 5.173 0.464 13.724 1.00 0.00 H new ATOM 0 HB ILE A 46 7.515 1.536 15.347 1.00 0.00 H new ATOM 0 HG12 ILE A 46 5.558 2.964 15.695 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.774 3.777 14.730 1.00 0.00 H new ATOM 0 HG21 ILE A 46 8.232 2.463 13.180 1.00 0.00 H new ATOM 0 HG22 ILE A 46 8.095 0.689 13.124 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.827 1.703 12.394 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.531 4.188 13.841 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.505 3.263 12.674 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.270 2.438 13.654 1.00 0.00 H new ATOM 668 N TYR A 47 5.944 -1.907 15.141 1.00 0.00 N ATOM 669 CA TYR A 47 6.584 -3.213 15.240 1.00 0.00 C ATOM 670 C TYR A 47 5.551 -4.307 15.492 1.00 0.00 C ATOM 671 O TYR A 47 4.984 -4.401 16.580 1.00 0.00 O ATOM 672 CB TYR A 47 7.625 -3.211 16.361 1.00 0.00 C ATOM 673 CG TYR A 47 8.857 -4.030 16.046 1.00 0.00 C ATOM 674 CD1 TYR A 47 9.735 -3.640 15.043 1.00 0.00 C ATOM 675 CD2 TYR A 47 9.141 -5.192 16.752 1.00 0.00 C ATOM 676 CE1 TYR A 47 10.862 -4.386 14.752 1.00 0.00 C ATOM 677 CE2 TYR A 47 10.266 -5.943 16.467 1.00 0.00 C ATOM 678 CZ TYR A 47 11.122 -5.536 15.466 1.00 0.00 C ATOM 679 OH TYR A 47 12.243 -6.281 15.180 1.00 0.00 O ATOM 0 H TYR A 47 4.978 -1.885 15.467 1.00 0.00 H new ATOM 0 HA TYR A 47 7.081 -3.419 14.292 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.925 -2.183 16.565 1.00 0.00 H new ATOM 0 HB3 TYR A 47 7.166 -3.596 17.272 1.00 0.00 H new ATOM 0 HD1 TYR A 47 9.534 -2.740 14.481 1.00 0.00 H new ATOM 0 HD2 TYR A 47 8.472 -5.514 17.536 1.00 0.00 H new ATOM 0 HE1 TYR A 47 11.535 -4.069 13.969 1.00 0.00 H new ATOM 0 HE2 TYR A 47 10.473 -6.844 17.026 1.00 0.00 H new ATOM 0 HH TYR A 47 12.279 -7.059 15.775 1.00 0.00 H new ATOM 689 N ASP A 48 5.313 -5.133 14.478 1.00 0.00 N ATOM 690 CA ASP A 48 4.348 -6.221 14.590 1.00 0.00 C ATOM 691 C ASP A 48 4.533 -7.229 13.462 1.00 0.00 C ATOM 692 O ASP A 48 4.922 -8.374 13.694 1.00 0.00 O ATOM 693 CB ASP A 48 2.921 -5.670 14.571 1.00 0.00 C ATOM 694 CG ASP A 48 1.901 -6.690 15.038 1.00 0.00 C ATOM 695 OD1 ASP A 48 2.037 -7.877 14.672 1.00 0.00 O1- ATOM 696 OD2 ASP A 48 0.966 -6.303 15.770 1.00 0.00 O ATOM 0 H ASP A 48 5.775 -5.070 13.571 1.00 0.00 H new ATOM 0 HA ASP A 48 4.519 -6.730 15.539 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.867 -4.788 15.209 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.672 -5.348 13.560 1.00 0.00 H new ATOM 701 N ALA A 49 4.251 -6.793 12.243 1.00 0.00 N ATOM 702 CA ALA A 49 4.383 -7.650 11.070 1.00 0.00 C ATOM 703 C ALA A 49 3.518 -8.902 11.200 1.00 0.00 C ATOM 704 O ALA A 49 4.006 -10.023 11.048 1.00 0.00 O ATOM 705 CB ALA A 49 5.841 -8.030 10.859 1.00 0.00 C ATOM 0 H ALA A 49 3.928 -5.847 12.038 1.00 0.00 H new ATOM 0 HA ALA A 49 4.034 -7.092 10.201 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.927 -8.670 9.981 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.434 -7.128 10.710 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.208 -8.565 11.735 1.00 0.00 H new ATOM 711 N PRO A 50 2.215 -8.730 11.482 1.00 0.00 N ATOM 712 CA PRO A 50 1.286 -9.851 11.630 1.00 0.00 C ATOM 713 C PRO A 50 0.872 -10.443 10.289 1.00 0.00 C ATOM 714 O PRO A 50 0.849 -11.661 10.114 1.00 0.00 O ATOM 715 CB PRO A 50 0.086 -9.218 12.331 1.00 0.00 C ATOM 716 CG PRO A 50 0.099 -7.795 11.887 1.00 0.00 C ATOM 717 CD PRO A 50 1.546 -7.428 11.680 1.00 0.00 C ATOM 0 HA PRO A 50 1.730 -10.682 12.178 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -0.844 -9.713 12.050 1.00 0.00 H new ATOM 0 HB3 PRO A 50 0.173 -9.296 13.415 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -0.469 -7.670 10.965 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -0.362 -7.150 12.635 1.00 0.00 H new ATOM 0 HD2 PRO A 50 1.674 -6.777 10.815 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.951 -6.897 12.541 1.00 0.00 H new ATOM 725 N LEU A 51 0.547 -9.568 9.346 1.00 0.00 N ATOM 726 CA LEU A 51 0.131 -9.989 8.011 1.00 0.00 C ATOM 727 C LEU A 51 -0.952 -11.064 8.085 1.00 0.00 C ATOM 728 O LEU A 51 -0.901 -12.062 7.366 1.00 0.00 O ATOM 729 CB LEU A 51 1.334 -10.510 7.221 1.00 0.00 C ATOM 730 CG LEU A 51 1.352 -10.124 5.741 1.00 0.00 C ATOM 731 CD1 LEU A 51 0.053 -10.537 5.066 1.00 0.00 C ATOM 732 CD2 LEU A 51 1.584 -8.629 5.583 1.00 0.00 C ATOM 0 H LEU A 51 0.563 -8.557 9.481 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.285 -9.121 7.498 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.246 -10.138 7.689 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.357 -11.597 7.298 1.00 0.00 H new ATOM 0 HG LEU A 51 2.173 -10.653 5.257 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.084 -10.254 4.014 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.073 -11.617 5.148 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.785 -10.036 5.552 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.594 -8.372 4.524 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.784 -8.082 6.082 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.541 -8.360 6.030 1.00 0.00 H new ATOM 744 N ASN A 52 -1.930 -10.851 8.960 1.00 0.00 N ATOM 745 CA ASN A 52 -3.025 -11.800 9.129 1.00 0.00 C ATOM 746 C ASN A 52 -3.758 -12.029 7.811 1.00 0.00 C ATOM 747 O ASN A 52 -4.291 -13.112 7.566 1.00 0.00 O ATOM 748 CB ASN A 52 -4.005 -11.295 10.190 1.00 0.00 C ATOM 749 CG ASN A 52 -3.402 -11.296 11.581 1.00 0.00 C ATOM 750 OD1 ASN A 52 -2.304 -11.810 11.795 1.00 0.00 O ATOM 751 ND2 ASN A 52 -4.120 -10.717 12.537 1.00 0.00 N ATOM 0 H ASN A 52 -1.987 -10.030 9.563 1.00 0.00 H new ATOM 0 HA ASN A 52 -2.601 -12.749 9.457 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -4.323 -10.284 9.935 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -4.898 -11.921 10.183 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -3.766 -10.686 13.493 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.025 -10.303 12.315 1.00 0.00 H new ATOM 758 N ASN A 53 -3.782 -11.004 6.967 1.00 0.00 N ATOM 759 CA ASN A 53 -4.449 -11.094 5.674 1.00 0.00 C ATOM 760 C ASN A 53 -3.454 -11.445 4.571 1.00 0.00 C ATOM 761 O ASN A 53 -3.150 -10.620 3.709 1.00 0.00 O ATOM 762 CB ASN A 53 -5.152 -9.775 5.346 1.00 0.00 C ATOM 763 CG ASN A 53 -4.237 -8.577 5.511 1.00 0.00 C ATOM 764 OD1 ASN A 53 -4.194 -8.028 6.719 1.00 0.00 O flip ATOM 765 ND2 ASN A 53 -3.578 -8.150 4.564 1.00 0.00 N flip ATOM 0 H ASN A 53 -3.347 -10.101 7.155 1.00 0.00 H new ATOM 0 HA ASN A 53 -5.193 -11.888 5.731 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -5.522 -9.808 4.321 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -6.020 -9.658 5.994 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -3.642 -8.603 3.653 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -2.968 -7.343 4.690 1.00 0.00 H new ATOM 772 N GLU A 54 -2.950 -12.674 4.606 1.00 0.00 N ATOM 773 CA GLU A 54 -1.989 -13.135 3.610 1.00 0.00 C ATOM 774 C GLU A 54 -2.639 -14.096 2.616 1.00 0.00 C ATOM 775 O GLU A 54 -1.948 -14.826 1.906 1.00 0.00 O ATOM 776 CB GLU A 54 -0.804 -13.818 4.294 1.00 0.00 C ATOM 777 CG GLU A 54 0.531 -13.534 3.626 1.00 0.00 C ATOM 778 CD GLU A 54 1.708 -13.754 4.556 1.00 0.00 C ATOM 779 OE1 GLU A 54 1.647 -14.692 5.379 1.00 0.00 O1- ATOM 780 OE2 GLU A 54 2.690 -12.988 4.463 1.00 0.00 O ATOM 0 H GLU A 54 -3.191 -13.369 5.313 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.634 -12.263 3.060 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.758 -13.492 5.333 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.973 -14.895 4.305 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.639 -14.176 2.752 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.542 -12.504 3.269 1.00 0.00 H new ATOM 787 N ASN A 55 -3.969 -14.092 2.569 1.00 0.00 N ATOM 788 CA ASN A 55 -4.702 -14.966 1.660 1.00 0.00 C ATOM 789 C ASN A 55 -4.414 -14.603 0.206 1.00 0.00 C ATOM 790 O ASN A 55 -4.429 -15.465 -0.673 1.00 0.00 O ATOM 791 CB ASN A 55 -6.204 -14.874 1.932 1.00 0.00 C ATOM 792 CG ASN A 55 -6.535 -15.023 3.404 1.00 0.00 C ATOM 793 OD1 ASN A 55 -6.412 -16.107 3.974 1.00 0.00 O ATOM 794 ND2 ASN A 55 -6.959 -13.930 4.028 1.00 0.00 N ATOM 0 H ASN A 55 -4.559 -13.495 3.148 1.00 0.00 H new ATOM 0 HA ASN A 55 -4.370 -15.990 1.833 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -6.577 -13.915 1.574 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -6.721 -15.649 1.366 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.198 -13.969 5.019 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -7.046 -13.052 3.516 1.00 0.00 H new ATOM 801 N GLY A 56 -4.153 -13.323 -0.039 1.00 0.00 N ATOM 802 CA GLY A 56 -3.865 -12.869 -1.387 1.00 0.00 C ATOM 803 C GLY A 56 -4.781 -11.744 -1.827 1.00 0.00 C ATOM 804 O GLY A 56 -4.327 -10.750 -2.393 1.00 0.00 O ATOM 0 H GLY A 56 -4.136 -12.592 0.672 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.830 -12.533 -1.441 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.964 -13.706 -2.078 1.00 0.00 H new ATOM 808 N PHE A 57 -6.075 -11.901 -1.565 1.00 0.00 N ATOM 809 CA PHE A 57 -7.057 -10.889 -1.938 1.00 0.00 C ATOM 810 C PHE A 57 -6.748 -9.557 -1.263 1.00 0.00 C ATOM 811 O PHE A 57 -6.697 -8.515 -1.917 1.00 0.00 O ATOM 812 CB PHE A 57 -8.465 -11.352 -1.558 1.00 0.00 C ATOM 813 CG PHE A 57 -9.043 -12.360 -2.510 1.00 0.00 C ATOM 814 CD1 PHE A 57 -9.337 -12.008 -3.818 1.00 0.00 C ATOM 815 CD2 PHE A 57 -9.292 -13.659 -2.097 1.00 0.00 C ATOM 816 CE1 PHE A 57 -9.869 -12.933 -4.696 1.00 0.00 C ATOM 817 CE2 PHE A 57 -9.824 -14.588 -2.971 1.00 0.00 C ATOM 818 CZ PHE A 57 -10.112 -14.225 -4.272 1.00 0.00 C ATOM 0 H PHE A 57 -6.467 -12.718 -1.097 1.00 0.00 H new ATOM 0 HA PHE A 57 -7.006 -10.749 -3.018 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -8.439 -11.783 -0.557 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -9.124 -10.485 -1.515 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -9.148 -10.999 -4.155 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -9.068 -13.949 -1.081 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -10.095 -12.646 -5.712 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -10.014 -15.597 -2.637 1.00 0.00 H new ATOM 0 HZ PHE A 57 -10.527 -14.950 -4.957 1.00 0.00 H new ATOM 828 N ASP A 58 -6.540 -9.599 0.049 1.00 0.00 N ATOM 829 CA ASP A 58 -6.234 -8.395 0.813 1.00 0.00 C ATOM 830 C ASP A 58 -4.806 -7.932 0.544 1.00 0.00 C ATOM 831 O ASP A 58 -4.530 -6.733 0.493 1.00 0.00 O ATOM 832 CB ASP A 58 -6.427 -8.653 2.308 1.00 0.00 C ATOM 833 CG ASP A 58 -7.800 -8.233 2.795 1.00 0.00 C ATOM 834 OD1 ASP A 58 -8.392 -7.319 2.183 1.00 0.00 O1- ATOM 835 OD2 ASP A 58 -8.283 -8.817 3.787 1.00 0.00 O ATOM 0 H ASP A 58 -6.578 -10.453 0.605 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.918 -7.608 0.497 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.281 -9.714 2.513 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.665 -8.112 2.869 1.00 0.00 H new ATOM 840 N LYS A 59 -3.901 -8.890 0.372 1.00 0.00 N ATOM 841 CA LYS A 59 -2.501 -8.581 0.107 1.00 0.00 C ATOM 842 C LYS A 59 -2.353 -7.815 -1.202 1.00 0.00 C ATOM 843 O LYS A 59 -1.687 -6.779 -1.259 1.00 0.00 O ATOM 844 CB LYS A 59 -1.680 -9.871 0.046 1.00 0.00 C ATOM 845 CG LYS A 59 -0.271 -9.727 0.595 1.00 0.00 C ATOM 846 CD LYS A 59 0.366 -11.084 0.849 1.00 0.00 C ATOM 847 CE LYS A 59 1.277 -11.495 -0.297 1.00 0.00 C ATOM 848 NZ LYS A 59 1.626 -12.941 -0.238 1.00 0.00 N1+ ATOM 0 H LYS A 59 -4.112 -9.887 0.411 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.131 -7.955 0.919 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -2.200 -10.649 0.605 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.624 -10.206 -0.990 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.340 -9.163 -0.110 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.297 -9.156 1.523 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.938 -11.051 1.776 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.414 -11.834 0.982 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.787 -11.278 -1.246 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.190 -10.900 -0.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.248 -13.181 -1.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.117 -13.143 0.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.757 -13.510 -0.293 1.00 0.00 H new ATOM 862 N GLU A 60 -2.979 -8.333 -2.254 1.00 0.00 N ATOM 863 CA GLU A 60 -2.917 -7.704 -3.566 1.00 0.00 C ATOM 864 C GLU A 60 -3.784 -6.452 -3.615 1.00 0.00 C ATOM 865 O GLU A 60 -3.406 -5.450 -4.219 1.00 0.00 O ATOM 866 CB GLU A 60 -3.356 -8.689 -4.650 1.00 0.00 C ATOM 867 CG GLU A 60 -2.461 -9.913 -4.755 1.00 0.00 C ATOM 868 CD GLU A 60 -1.934 -10.133 -6.160 1.00 0.00 C ATOM 869 OE1 GLU A 60 -2.737 -10.056 -7.114 1.00 0.00 O ATOM 870 OE2 GLU A 60 -0.719 -10.381 -6.306 1.00 0.00 O1- ATOM 0 H GLU A 60 -3.535 -9.187 -2.222 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.883 -7.411 -3.750 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.377 -9.012 -4.445 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.371 -8.176 -5.612 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.621 -9.804 -4.069 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.019 -10.794 -4.438 1.00 0.00 H new ATOM 877 N ASP A 61 -4.944 -6.511 -2.973 1.00 0.00 N ATOM 878 CA ASP A 61 -5.853 -5.373 -2.946 1.00 0.00 C ATOM 879 C ASP A 61 -5.173 -4.161 -2.318 1.00 0.00 C ATOM 880 O ASP A 61 -5.187 -3.066 -2.880 1.00 0.00 O ATOM 881 CB ASP A 61 -7.122 -5.723 -2.167 1.00 0.00 C ATOM 882 CG ASP A 61 -8.140 -6.455 -3.019 1.00 0.00 C ATOM 883 OD1 ASP A 61 -8.119 -6.275 -4.255 1.00 0.00 O1- ATOM 884 OD2 ASP A 61 -8.958 -7.209 -2.451 1.00 0.00 O ATOM 0 H ASP A 61 -5.276 -7.331 -2.466 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.126 -5.128 -3.972 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.859 -6.341 -1.309 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -7.569 -4.809 -1.777 1.00 0.00 H new ATOM 889 N LEU A 62 -4.574 -4.370 -1.151 1.00 0.00 N ATOM 890 CA LEU A 62 -3.885 -3.301 -0.441 1.00 0.00 C ATOM 891 C LEU A 62 -2.619 -2.876 -1.180 1.00 0.00 C ATOM 892 O LEU A 62 -2.429 -1.695 -1.473 1.00 0.00 O ATOM 893 CB LEU A 62 -3.538 -3.750 0.982 1.00 0.00 C ATOM 894 CG LEU A 62 -2.665 -2.780 1.785 1.00 0.00 C ATOM 895 CD1 LEU A 62 -3.102 -1.340 1.557 1.00 0.00 C ATOM 896 CD2 LEU A 62 -2.718 -3.125 3.264 1.00 0.00 C ATOM 0 H LEU A 62 -4.552 -5.273 -0.676 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.554 -2.442 -0.392 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.466 -3.914 1.529 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.027 -4.711 0.927 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.636 -2.879 1.440 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.467 -0.671 2.138 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.014 -1.096 0.498 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.139 -1.220 1.871 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.093 -2.428 3.823 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.747 -3.054 3.618 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.352 -4.141 3.414 1.00 0.00 H new ATOM 908 N ALA A 63 -1.753 -3.841 -1.479 1.00 0.00 N ATOM 909 CA ALA A 63 -0.507 -3.554 -2.183 1.00 0.00 C ATOM 910 C ALA A 63 -0.772 -2.845 -3.508 1.00 0.00 C ATOM 911 O ALA A 63 -0.209 -1.785 -3.779 1.00 0.00 O ATOM 912 CB ALA A 63 0.279 -4.835 -2.416 1.00 0.00 C ATOM 0 H ALA A 63 -1.891 -4.824 -1.246 1.00 0.00 H new ATOM 0 HA ALA A 63 0.086 -2.887 -1.557 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.205 -4.603 -2.942 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.512 -5.298 -1.457 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.316 -5.523 -3.016 1.00 0.00 H new ATOM 918 N ARG A 64 -1.631 -3.438 -4.330 1.00 0.00 N ATOM 919 CA ARG A 64 -1.970 -2.865 -5.627 1.00 0.00 C ATOM 920 C ARG A 64 -2.633 -1.500 -5.464 1.00 0.00 C ATOM 921 O ARG A 64 -2.350 -0.569 -6.217 1.00 0.00 O ATOM 922 CB ARG A 64 -2.894 -3.807 -6.401 1.00 0.00 C ATOM 923 CG ARG A 64 -2.844 -3.607 -7.906 1.00 0.00 C ATOM 924 CD ARG A 64 -3.382 -2.243 -8.306 1.00 0.00 C ATOM 925 NE ARG A 64 -3.909 -2.241 -9.669 1.00 0.00 N ATOM 926 CZ ARG A 64 -4.978 -2.935 -10.052 1.00 0.00 C ATOM 927 NH1 ARG A 64 -5.636 -3.689 -9.180 1.00 0.00 N1+ ATOM 928 NH2 ARG A 64 -5.390 -2.877 -11.311 1.00 0.00 N ATOM 0 H ARG A 64 -2.106 -4.316 -4.121 1.00 0.00 H new ATOM 0 HA ARG A 64 -1.046 -2.734 -6.190 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -2.624 -4.838 -6.171 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -3.918 -3.661 -6.057 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -1.816 -3.710 -8.254 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -3.426 -4.387 -8.397 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -4.169 -1.946 -7.613 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -2.588 -1.501 -8.223 1.00 0.00 H new ATOM 0 HE ARG A 64 -3.429 -1.674 -10.368 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -5.323 -3.739 -8.210 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -6.455 -4.219 -9.479 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -4.888 -2.300 -11.986 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -6.209 -3.409 -11.605 1.00 0.00 H new ATOM 942 N PHE A 65 -3.518 -1.387 -4.476 1.00 0.00 N ATOM 943 CA PHE A 65 -4.217 -0.132 -4.219 1.00 0.00 C ATOM 944 C PHE A 65 -3.225 1.006 -3.992 1.00 0.00 C ATOM 945 O PHE A 65 -3.268 2.025 -4.680 1.00 0.00 O ATOM 946 CB PHE A 65 -5.139 -0.277 -3.005 1.00 0.00 C ATOM 947 CG PHE A 65 -5.823 1.001 -2.608 1.00 0.00 C ATOM 948 CD1 PHE A 65 -6.733 1.609 -3.459 1.00 0.00 C ATOM 949 CD2 PHE A 65 -5.556 1.594 -1.384 1.00 0.00 C ATOM 950 CE1 PHE A 65 -7.363 2.784 -3.096 1.00 0.00 C ATOM 951 CE2 PHE A 65 -6.183 2.769 -1.016 1.00 0.00 C ATOM 952 CZ PHE A 65 -7.088 3.365 -1.873 1.00 0.00 C ATOM 0 H PHE A 65 -3.767 -2.147 -3.843 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.820 0.107 -5.095 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.896 -1.031 -3.223 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -4.557 -0.645 -2.160 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.952 1.159 -4.416 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -4.850 1.132 -0.710 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -8.070 3.248 -3.768 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -5.966 3.221 -0.059 1.00 0.00 H new ATOM 0 HZ PHE A 65 -7.580 4.283 -1.587 1.00 0.00 H new ATOM 962 N ALA A 66 -2.333 0.825 -3.024 1.00 0.00 N ATOM 963 CA ALA A 66 -1.331 1.836 -2.708 1.00 0.00 C ATOM 964 C ALA A 66 -0.431 2.111 -3.909 1.00 0.00 C ATOM 965 O ALA A 66 -0.290 3.256 -4.346 1.00 0.00 O ATOM 966 CB ALA A 66 -0.498 1.398 -1.512 1.00 0.00 C ATOM 0 H ALA A 66 -2.284 -0.013 -2.444 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.850 2.761 -2.456 1.00 0.00 H new ATOM 0 HB1 ALA A 66 0.246 2.162 -1.287 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.147 1.259 -0.648 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.005 0.459 -1.743 1.00 0.00 H new ATOM 972 N VAL A 67 0.175 1.053 -4.441 1.00 0.00 N ATOM 973 CA VAL A 67 1.062 1.177 -5.592 1.00 0.00 C ATOM 974 C VAL A 67 0.389 1.949 -6.723 1.00 0.00 C ATOM 975 O VAL A 67 0.925 2.941 -7.215 1.00 0.00 O ATOM 976 CB VAL A 67 1.500 -0.205 -6.117 1.00 0.00 C ATOM 977 CG1 VAL A 67 2.468 -0.057 -7.281 1.00 0.00 C ATOM 978 CG2 VAL A 67 2.123 -1.029 -5.000 1.00 0.00 C ATOM 0 H VAL A 67 0.067 0.100 -4.093 1.00 0.00 H new ATOM 0 HA VAL A 67 1.943 1.724 -5.255 1.00 0.00 H new ATOM 0 HB VAL A 67 0.615 -0.730 -6.476 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.764 -1.044 -7.636 1.00 0.00 H new ATOM 0 HG12 VAL A 67 1.983 0.489 -8.090 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.351 0.490 -6.952 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.426 -2.001 -5.390 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.996 -0.508 -4.607 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.394 -1.169 -4.202 1.00 0.00 H new ATOM 988 N ARG A 68 -0.789 1.487 -7.126 1.00 0.00 N ATOM 989 CA ARG A 68 -1.539 2.132 -8.197 1.00 0.00 C ATOM 990 C ARG A 68 -1.977 3.536 -7.787 1.00 0.00 C ATOM 991 O ARG A 68 -2.090 4.430 -8.624 1.00 0.00 O ATOM 992 CB ARG A 68 -2.760 1.287 -8.570 1.00 0.00 C ATOM 993 CG ARG A 68 -3.657 1.933 -9.615 1.00 0.00 C ATOM 994 CD ARG A 68 -4.605 0.921 -10.239 1.00 0.00 C ATOM 995 NE ARG A 68 -5.983 1.406 -10.265 1.00 0.00 N ATOM 996 CZ ARG A 68 -6.795 1.389 -9.211 1.00 0.00 C ATOM 997 NH1 ARG A 68 -6.371 0.914 -8.046 1.00 0.00 N1+ ATOM 998 NH2 ARG A 68 -8.034 1.847 -9.321 1.00 0.00 N ATOM 0 H ARG A 68 -1.246 0.667 -6.727 1.00 0.00 H new ATOM 0 HA ARG A 68 -0.887 2.218 -9.066 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -2.421 0.320 -8.943 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -3.345 1.094 -7.671 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.232 2.737 -9.155 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.043 2.386 -10.393 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.280 0.698 -11.255 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.560 -0.012 -9.678 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.344 1.780 -11.143 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.419 0.560 -7.956 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.998 0.903 -7.241 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -8.365 2.213 -10.214 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -8.656 1.834 -8.513 1.00 0.00 H new ATOM 1012 N GLU A 69 -2.224 3.721 -6.494 1.00 0.00 N ATOM 1013 CA GLU A 69 -2.651 5.016 -5.977 1.00 0.00 C ATOM 1014 C GLU A 69 -1.574 6.072 -6.198 1.00 0.00 C ATOM 1015 O GLU A 69 -1.872 7.213 -6.553 1.00 0.00 O ATOM 1016 CB GLU A 69 -2.982 4.912 -4.487 1.00 0.00 C ATOM 1017 CG GLU A 69 -3.467 6.218 -3.880 1.00 0.00 C ATOM 1018 CD GLU A 69 -4.644 6.808 -4.631 1.00 0.00 C ATOM 1019 OE1 GLU A 69 -5.792 6.408 -4.345 1.00 0.00 O ATOM 1020 OE2 GLU A 69 -4.418 7.671 -5.505 1.00 0.00 O1- ATOM 0 H GLU A 69 -2.136 2.992 -5.786 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.547 5.317 -6.520 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.747 4.149 -4.346 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.095 4.578 -3.949 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.752 6.048 -2.842 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.648 6.937 -3.873 1.00 0.00 H new ATOM 1027 N TYR A 70 -0.321 5.686 -5.986 1.00 0.00 N ATOM 1028 CA TYR A 70 0.799 6.605 -6.163 1.00 0.00 C ATOM 1029 C TYR A 70 1.388 6.494 -7.571 1.00 0.00 C ATOM 1030 O TYR A 70 2.133 7.368 -8.011 1.00 0.00 O ATOM 1031 CB TYR A 70 1.876 6.329 -5.106 1.00 0.00 C ATOM 1032 CG TYR A 70 2.995 5.422 -5.574 1.00 0.00 C ATOM 1033 CD1 TYR A 70 2.909 4.046 -5.419 1.00 0.00 C ATOM 1034 CD2 TYR A 70 4.135 5.945 -6.173 1.00 0.00 C ATOM 1035 CE1 TYR A 70 3.926 3.214 -5.846 1.00 0.00 C ATOM 1036 CE2 TYR A 70 5.157 5.120 -6.603 1.00 0.00 C ATOM 1037 CZ TYR A 70 5.048 3.756 -6.437 1.00 0.00 C ATOM 1038 OH TYR A 70 6.063 2.931 -6.864 1.00 0.00 O ATOM 0 H TYR A 70 -0.055 4.746 -5.692 1.00 0.00 H new ATOM 0 HA TYR A 70 0.430 7.623 -6.036 1.00 0.00 H new ATOM 0 HB2 TYR A 70 2.305 7.278 -4.785 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.403 5.881 -4.232 1.00 0.00 H new ATOM 0 HD1 TYR A 70 2.032 3.618 -4.957 1.00 0.00 H new ATOM 0 HD2 TYR A 70 4.224 7.013 -6.305 1.00 0.00 H new ATOM 0 HE1 TYR A 70 3.843 2.145 -5.718 1.00 0.00 H new ATOM 0 HE2 TYR A 70 6.036 5.542 -7.067 1.00 0.00 H new ATOM 0 HH TYR A 70 6.378 2.384 -6.114 1.00 0.00 H new ATOM 1048 N ASN A 71 1.057 5.414 -8.268 1.00 0.00 N ATOM 1049 CA ASN A 71 1.562 5.195 -9.620 1.00 0.00 C ATOM 1050 C ASN A 71 0.652 5.836 -10.665 1.00 0.00 C ATOM 1051 O ASN A 71 1.079 6.102 -11.789 1.00 0.00 O ATOM 1052 CB ASN A 71 1.700 3.697 -9.901 1.00 0.00 C ATOM 1053 CG ASN A 71 3.013 3.134 -9.394 1.00 0.00 C ATOM 1054 OD1 ASN A 71 3.049 2.415 -8.395 1.00 0.00 O ATOM 1055 ND2 ASN A 71 4.101 3.458 -10.082 1.00 0.00 N ATOM 0 H ASN A 71 0.443 4.677 -7.922 1.00 0.00 H new ATOM 0 HA ASN A 71 2.543 5.666 -9.687 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.873 3.164 -9.431 1.00 0.00 H new ATOM 0 HB3 ASN A 71 1.623 3.522 -10.974 1.00 0.00 H new ATOM 0 HD21 ASN A 71 5.013 3.108 -9.788 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.025 4.057 -10.904 1.00 0.00 H new ATOM 1062 N ASN A 72 -0.603 6.075 -10.296 1.00 0.00 N ATOM 1063 CA ASN A 72 -1.563 6.678 -11.214 1.00 0.00 C ATOM 1064 C ASN A 72 -1.441 8.200 -11.224 1.00 0.00 C ATOM 1065 O ASN A 72 -1.628 8.839 -12.260 1.00 0.00 O ATOM 1066 CB ASN A 72 -2.991 6.261 -10.839 1.00 0.00 C ATOM 1067 CG ASN A 72 -3.592 7.122 -9.741 1.00 0.00 C ATOM 1068 OD1 ASN A 72 -3.458 6.675 -8.499 1.00 0.00 O flip ATOM 1069 ND2 ASN A 72 -4.169 8.176 -10.009 1.00 0.00 N flip ATOM 0 H ASN A 72 -0.978 5.861 -9.372 1.00 0.00 H new ATOM 0 HA ASN A 72 -1.340 6.317 -12.218 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -3.624 6.317 -11.724 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -2.987 5.220 -10.515 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -4.249 8.481 -10.979 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -4.567 8.744 -9.261 1.00 0.00 H new ATOM 1076 N LYS A 73 -1.136 8.776 -10.063 1.00 0.00 N ATOM 1077 CA LYS A 73 -1.002 10.228 -9.940 1.00 0.00 C ATOM 1078 C LYS A 73 -0.155 10.809 -11.075 1.00 0.00 C ATOM 1079 O LYS A 73 -0.690 11.257 -12.089 1.00 0.00 O ATOM 1080 CB LYS A 73 -0.404 10.612 -8.582 1.00 0.00 C ATOM 1081 CG LYS A 73 0.588 9.603 -8.037 1.00 0.00 C ATOM 1082 CD LYS A 73 1.673 10.280 -7.210 1.00 0.00 C ATOM 1083 CE LYS A 73 3.064 9.922 -7.706 1.00 0.00 C ATOM 1084 NZ LYS A 73 4.053 10.994 -7.408 1.00 0.00 N1+ ATOM 0 H LYS A 73 -0.977 8.263 -9.196 1.00 0.00 H new ATOM 0 HA LYS A 73 -2.003 10.654 -10.011 1.00 0.00 H new ATOM 0 HB2 LYS A 73 0.091 11.579 -8.675 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -1.213 10.736 -7.862 1.00 0.00 H new ATOM 0 HG2 LYS A 73 0.064 8.871 -7.423 1.00 0.00 H new ATOM 0 HG3 LYS A 73 1.045 9.058 -8.863 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.540 11.361 -7.250 1.00 0.00 H new ATOM 0 HD3 LYS A 73 1.572 9.985 -6.166 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.387 8.991 -7.240 1.00 0.00 H new ATOM 0 HE3 LYS A 73 3.032 9.746 -8.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.005 10.580 -7.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 4.036 11.703 -8.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 3.810 11.449 -6.505 1.00 0.00 H new ATOM 1098 N ASN A 74 1.164 10.803 -10.899 1.00 0.00 N ATOM 1099 CA ASN A 74 2.072 11.332 -11.909 1.00 0.00 C ATOM 1100 C ASN A 74 3.406 10.585 -11.902 1.00 0.00 C ATOM 1101 O ASN A 74 4.387 11.054 -12.480 1.00 0.00 O ATOM 1102 CB ASN A 74 2.316 12.820 -11.658 1.00 0.00 C ATOM 1103 CG ASN A 74 2.743 13.097 -10.228 1.00 0.00 C ATOM 1104 OD1 ASN A 74 3.950 12.666 -9.874 1.00 0.00 O flip ATOM 1105 ND2 ASN A 74 1.997 13.693 -9.450 1.00 0.00 N flip ATOM 0 H ASN A 74 1.626 10.438 -10.066 1.00 0.00 H new ATOM 0 HA ASN A 74 1.608 11.194 -12.886 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.085 13.181 -12.341 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.406 13.378 -11.878 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.078 14.006 -9.764 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.298 13.873 -8.492 1.00 0.00 H new ATOM 1112 N ASN A 75 3.444 9.431 -11.242 1.00 0.00 N ATOM 1113 CA ASN A 75 4.668 8.643 -11.163 1.00 0.00 C ATOM 1114 C ASN A 75 4.833 7.764 -12.400 1.00 0.00 C ATOM 1115 O ASN A 75 4.153 7.959 -13.408 1.00 0.00 O ATOM 1116 CB ASN A 75 4.660 7.775 -9.901 1.00 0.00 C ATOM 1117 CG ASN A 75 5.933 7.921 -9.092 1.00 0.00 C ATOM 1118 OD1 ASN A 75 6.178 8.961 -8.479 1.00 0.00 O ATOM 1119 ND2 ASN A 75 6.754 6.877 -9.085 1.00 0.00 N ATOM 0 H ASN A 75 2.645 9.023 -10.757 1.00 0.00 H new ATOM 0 HA ASN A 75 5.511 9.332 -11.116 1.00 0.00 H new ATOM 0 HB2 ASN A 75 3.806 8.047 -9.281 1.00 0.00 H new ATOM 0 HB3 ASN A 75 4.529 6.730 -10.183 1.00 0.00 H new ATOM 0 HD21 ASN A 75 7.626 6.918 -8.558 1.00 0.00 H new ATOM 0 HD22 ASN A 75 6.512 6.035 -9.607 1.00 0.00 H new ATOM 1126 N ALA A 76 5.741 6.796 -12.315 1.00 0.00 N ATOM 1127 CA ALA A 76 5.995 5.885 -13.424 1.00 0.00 C ATOM 1128 C ALA A 76 4.908 4.817 -13.515 1.00 0.00 C ATOM 1129 O ALA A 76 3.840 4.955 -12.919 1.00 0.00 O ATOM 1130 CB ALA A 76 7.365 5.241 -13.271 1.00 0.00 C ATOM 0 H ALA A 76 6.313 6.623 -11.488 1.00 0.00 H new ATOM 0 HA ALA A 76 5.979 6.460 -14.350 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.543 4.563 -14.105 1.00 0.00 H new ATOM 0 HB2 ALA A 76 8.132 6.015 -13.263 1.00 0.00 H new ATOM 0 HB3 ALA A 76 7.402 4.683 -12.335 1.00 0.00 H new ATOM 1136 N LEU A 77 5.186 3.754 -14.264 1.00 0.00 N ATOM 1137 CA LEU A 77 4.229 2.666 -14.430 1.00 0.00 C ATOM 1138 C LEU A 77 4.886 1.315 -14.159 1.00 0.00 C ATOM 1139 O LEU A 77 5.412 0.675 -15.069 1.00 0.00 O ATOM 1140 CB LEU A 77 3.639 2.690 -15.843 1.00 0.00 C ATOM 1141 CG LEU A 77 2.111 2.671 -15.906 1.00 0.00 C ATOM 1142 CD1 LEU A 77 1.558 1.495 -15.116 1.00 0.00 C ATOM 1143 CD2 LEU A 77 1.541 3.981 -15.384 1.00 0.00 C ATOM 0 H LEU A 77 6.065 3.623 -14.765 1.00 0.00 H new ATOM 0 HA LEU A 77 3.426 2.807 -13.707 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.998 3.583 -16.355 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.021 1.831 -16.395 1.00 0.00 H new ATOM 0 HG LEU A 77 1.811 2.555 -16.947 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.469 1.498 -15.173 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.940 0.564 -15.534 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.867 1.579 -14.074 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.453 3.951 -15.436 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.851 4.126 -14.349 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.910 4.807 -15.992 1.00 0.00 H new ATOM 1155 N LEU A 78 4.850 0.887 -12.901 1.00 0.00 N ATOM 1156 CA LEU A 78 5.439 -0.388 -12.507 1.00 0.00 C ATOM 1157 C LEU A 78 4.358 -1.369 -12.063 1.00 0.00 C ATOM 1158 O LEU A 78 3.167 -1.063 -12.127 1.00 0.00 O ATOM 1159 CB LEU A 78 6.454 -0.181 -11.381 1.00 0.00 C ATOM 1160 CG LEU A 78 6.112 0.937 -10.394 1.00 0.00 C ATOM 1161 CD1 LEU A 78 4.825 0.617 -9.650 1.00 0.00 C ATOM 1162 CD2 LEU A 78 7.258 1.151 -9.416 1.00 0.00 C ATOM 0 H LEU A 78 4.418 1.405 -12.136 1.00 0.00 H new ATOM 0 HA LEU A 78 5.952 -0.807 -13.372 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.554 -1.115 -10.827 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.426 0.032 -11.825 1.00 0.00 H new ATOM 0 HG LEU A 78 5.962 1.859 -10.955 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.598 1.423 -8.953 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.008 0.514 -10.364 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.945 -0.316 -9.099 1.00 0.00 H new ATOM 0 HD21 LEU A 78 6.999 1.950 -8.721 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.439 0.231 -8.860 1.00 0.00 H new ATOM 0 HD23 LEU A 78 8.158 1.426 -9.965 1.00 0.00 H new ATOM 1174 N GLU A 79 4.777 -2.549 -11.614 1.00 0.00 N ATOM 1175 CA GLU A 79 3.836 -3.568 -11.165 1.00 0.00 C ATOM 1176 C GLU A 79 4.350 -4.288 -9.921 1.00 0.00 C ATOM 1177 O GLU A 79 5.485 -4.764 -9.889 1.00 0.00 O ATOM 1178 CB GLU A 79 3.580 -4.581 -12.282 1.00 0.00 C ATOM 1179 CG GLU A 79 2.629 -4.077 -13.354 1.00 0.00 C ATOM 1180 CD GLU A 79 2.201 -5.169 -14.315 1.00 0.00 C ATOM 1181 OE1 GLU A 79 3.000 -6.101 -14.548 1.00 0.00 O1- ATOM 1182 OE2 GLU A 79 1.068 -5.092 -14.835 1.00 0.00 O ATOM 0 H GLU A 79 5.758 -2.821 -11.552 1.00 0.00 H new ATOM 0 HA GLU A 79 2.901 -3.069 -10.909 1.00 0.00 H new ATOM 0 HB2 GLU A 79 4.530 -4.845 -12.746 1.00 0.00 H new ATOM 0 HB3 GLU A 79 3.173 -5.494 -11.847 1.00 0.00 H new ATOM 0 HG2 GLU A 79 1.746 -3.650 -12.879 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.110 -3.274 -13.913 1.00 0.00 H new ATOM 1189 N PHE A 80 3.500 -4.368 -8.901 1.00 0.00 N ATOM 1190 CA PHE A 80 3.856 -5.035 -7.653 1.00 0.00 C ATOM 1191 C PHE A 80 3.753 -6.551 -7.805 1.00 0.00 C ATOM 1192 O PHE A 80 2.936 -7.052 -8.578 1.00 0.00 O ATOM 1193 CB PHE A 80 2.949 -4.546 -6.513 1.00 0.00 C ATOM 1194 CG PHE A 80 1.833 -5.495 -6.176 1.00 0.00 C ATOM 1195 CD1 PHE A 80 0.695 -5.555 -6.964 1.00 0.00 C ATOM 1196 CD2 PHE A 80 1.932 -6.335 -5.080 1.00 0.00 C ATOM 1197 CE1 PHE A 80 -0.324 -6.437 -6.664 1.00 0.00 C ATOM 1198 CE2 PHE A 80 0.915 -7.218 -4.774 1.00 0.00 C ATOM 1199 CZ PHE A 80 -0.215 -7.270 -5.568 1.00 0.00 C ATOM 0 H PHE A 80 2.558 -3.978 -8.915 1.00 0.00 H new ATOM 0 HA PHE A 80 4.889 -4.786 -7.409 1.00 0.00 H new ATOM 0 HB2 PHE A 80 3.556 -4.383 -5.623 1.00 0.00 H new ATOM 0 HB3 PHE A 80 2.522 -3.582 -6.789 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.604 -4.905 -7.822 1.00 0.00 H new ATOM 0 HD2 PHE A 80 2.814 -6.299 -4.458 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -1.206 -6.475 -7.286 1.00 0.00 H new ATOM 0 HE2 PHE A 80 1.003 -7.867 -3.915 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.011 -7.961 -5.332 1.00 0.00 H new ATOM 1209 N VAL A 81 4.580 -7.277 -7.061 1.00 0.00 N ATOM 1210 CA VAL A 81 4.570 -8.733 -7.117 1.00 0.00 C ATOM 1211 C VAL A 81 3.919 -9.326 -5.871 1.00 0.00 C ATOM 1212 O VAL A 81 3.189 -10.313 -5.953 1.00 0.00 O ATOM 1213 CB VAL A 81 5.994 -9.304 -7.261 1.00 0.00 C ATOM 1214 CG1 VAL A 81 6.610 -8.876 -8.584 1.00 0.00 C ATOM 1215 CG2 VAL A 81 6.868 -8.870 -6.094 1.00 0.00 C ATOM 0 H VAL A 81 5.263 -6.882 -6.414 1.00 0.00 H new ATOM 0 HA VAL A 81 3.988 -9.010 -7.996 1.00 0.00 H new ATOM 0 HB VAL A 81 5.930 -10.392 -7.250 1.00 0.00 H new ATOM 0 HG11 VAL A 81 7.615 -9.289 -8.668 1.00 0.00 H new ATOM 0 HG12 VAL A 81 5.997 -9.244 -9.407 1.00 0.00 H new ATOM 0 HG13 VAL A 81 6.660 -7.788 -8.627 1.00 0.00 H new ATOM 0 HG21 VAL A 81 7.869 -9.284 -6.215 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.926 -7.782 -6.068 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.436 -9.233 -5.161 1.00 0.00 H new ATOM 1225 N ARG A 82 4.186 -8.711 -4.721 1.00 0.00 N ATOM 1226 CA ARG A 82 3.627 -9.170 -3.450 1.00 0.00 C ATOM 1227 C ARG A 82 4.158 -8.332 -2.291 1.00 0.00 C ATOM 1228 O ARG A 82 5.127 -7.589 -2.446 1.00 0.00 O ATOM 1229 CB ARG A 82 3.958 -10.645 -3.214 1.00 0.00 C ATOM 1230 CG ARG A 82 5.424 -10.886 -2.927 1.00 0.00 C ATOM 1231 CD ARG A 82 5.697 -12.343 -2.593 1.00 0.00 C ATOM 1232 NE ARG A 82 5.178 -12.711 -1.278 1.00 0.00 N ATOM 1233 CZ ARG A 82 5.381 -13.895 -0.705 1.00 0.00 C ATOM 1234 NH1 ARG A 82 6.092 -14.828 -1.327 1.00 0.00 N1+ ATOM 1235 NH2 ARG A 82 4.873 -14.147 0.494 1.00 0.00 N ATOM 0 H ARG A 82 4.788 -7.891 -4.643 1.00 0.00 H new ATOM 0 HA ARG A 82 2.544 -9.055 -3.501 1.00 0.00 H new ATOM 0 HB2 ARG A 82 3.365 -11.015 -2.378 1.00 0.00 H new ATOM 0 HB3 ARG A 82 3.666 -11.222 -4.092 1.00 0.00 H new ATOM 0 HG2 ARG A 82 6.018 -10.593 -3.793 1.00 0.00 H new ATOM 0 HG3 ARG A 82 5.741 -10.256 -2.096 1.00 0.00 H new ATOM 0 HD2 ARG A 82 5.244 -12.980 -3.353 1.00 0.00 H new ATOM 0 HD3 ARG A 82 6.771 -12.526 -2.623 1.00 0.00 H new ATOM 0 HE ARG A 82 4.627 -12.020 -0.769 1.00 0.00 H new ATOM 0 HH11 ARG A 82 6.486 -14.639 -2.249 1.00 0.00 H new ATOM 0 HH12 ARG A 82 6.244 -15.734 -0.883 1.00 0.00 H new ATOM 0 HH21 ARG A 82 4.327 -13.433 0.977 1.00 0.00 H new ATOM 0 HH22 ARG A 82 5.028 -15.054 0.933 1.00 0.00 H new ATOM 1249 N VAL A 83 3.523 -8.458 -1.129 1.00 0.00 N ATOM 1250 CA VAL A 83 3.943 -7.710 0.047 1.00 0.00 C ATOM 1251 C VAL A 83 4.977 -8.488 0.856 1.00 0.00 C ATOM 1252 O VAL A 83 4.883 -9.708 0.994 1.00 0.00 O ATOM 1253 CB VAL A 83 2.744 -7.356 0.953 1.00 0.00 C ATOM 1254 CG1 VAL A 83 1.600 -6.777 0.131 1.00 0.00 C ATOM 1255 CG2 VAL A 83 2.280 -8.572 1.743 1.00 0.00 C ATOM 0 H VAL A 83 2.720 -9.069 -0.979 1.00 0.00 H new ATOM 0 HA VAL A 83 4.394 -6.785 -0.313 1.00 0.00 H new ATOM 0 HB VAL A 83 3.071 -6.598 1.664 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.766 -6.535 0.789 1.00 0.00 H new ATOM 0 HG12 VAL A 83 1.937 -5.873 -0.376 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.277 -7.509 -0.610 1.00 0.00 H new ATOM 0 HG21 VAL A 83 1.435 -8.296 2.373 1.00 0.00 H new ATOM 0 HG22 VAL A 83 1.976 -9.360 1.053 1.00 0.00 H new ATOM 0 HG23 VAL A 83 3.096 -8.932 2.369 1.00 0.00 H new ATOM 1265 N VAL A 84 5.962 -7.774 1.390 1.00 0.00 N ATOM 1266 CA VAL A 84 7.013 -8.395 2.186 1.00 0.00 C ATOM 1267 C VAL A 84 6.960 -7.929 3.641 1.00 0.00 C ATOM 1268 O VAL A 84 7.526 -8.572 4.526 1.00 0.00 O ATOM 1269 CB VAL A 84 8.408 -8.089 1.607 1.00 0.00 C ATOM 1270 CG1 VAL A 84 8.671 -6.590 1.601 1.00 0.00 C ATOM 1271 CG2 VAL A 84 9.487 -8.826 2.389 1.00 0.00 C ATOM 0 H VAL A 84 6.054 -6.764 1.286 1.00 0.00 H new ATOM 0 HA VAL A 84 6.840 -9.471 2.151 1.00 0.00 H new ATOM 0 HB VAL A 84 8.436 -8.441 0.576 1.00 0.00 H new ATOM 0 HG11 VAL A 84 9.661 -6.396 1.188 1.00 0.00 H new ATOM 0 HG12 VAL A 84 7.919 -6.091 0.990 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.622 -6.208 2.621 1.00 0.00 H new ATOM 0 HG21 VAL A 84 10.465 -8.597 1.965 1.00 0.00 H new ATOM 0 HG22 VAL A 84 9.461 -8.510 3.432 1.00 0.00 H new ATOM 0 HG23 VAL A 84 9.309 -9.900 2.331 1.00 0.00 H new ATOM 1281 N LYS A 85 6.280 -6.811 3.886 1.00 0.00 N ATOM 1282 CA LYS A 85 6.165 -6.271 5.238 1.00 0.00 C ATOM 1283 C LYS A 85 4.808 -5.610 5.451 1.00 0.00 C ATOM 1284 O LYS A 85 4.160 -5.176 4.498 1.00 0.00 O ATOM 1285 CB LYS A 85 7.282 -5.260 5.508 1.00 0.00 C ATOM 1286 CG LYS A 85 8.625 -5.659 4.918 1.00 0.00 C ATOM 1287 CD LYS A 85 9.777 -5.012 5.668 1.00 0.00 C ATOM 1288 CE LYS A 85 11.096 -5.205 4.937 1.00 0.00 C ATOM 1289 NZ LYS A 85 12.257 -5.185 5.869 1.00 0.00 N1+ ATOM 0 H LYS A 85 5.803 -6.264 3.170 1.00 0.00 H new ATOM 0 HA LYS A 85 6.259 -7.102 5.937 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.990 -4.292 5.101 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.392 -5.133 6.585 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.731 -6.743 4.952 1.00 0.00 H new ATOM 0 HG3 LYS A 85 8.663 -5.368 3.868 1.00 0.00 H new ATOM 0 HD2 LYS A 85 9.580 -3.947 5.791 1.00 0.00 H new ATOM 0 HD3 LYS A 85 9.848 -5.440 6.668 1.00 0.00 H new ATOM 0 HE2 LYS A 85 11.078 -6.154 4.400 1.00 0.00 H new ATOM 0 HE3 LYS A 85 11.216 -4.419 4.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 13.137 -5.320 5.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 12.290 -4.270 6.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 12.156 -5.951 6.565 1.00 0.00 H new ATOM 1303 N ALA A 86 4.388 -5.535 6.709 1.00 0.00 N ATOM 1304 CA ALA A 86 3.110 -4.927 7.056 1.00 0.00 C ATOM 1305 C ALA A 86 3.135 -4.375 8.478 1.00 0.00 C ATOM 1306 O ALA A 86 3.421 -5.100 9.430 1.00 0.00 O ATOM 1307 CB ALA A 86 1.987 -5.941 6.901 1.00 0.00 C ATOM 0 H ALA A 86 4.916 -5.889 7.507 1.00 0.00 H new ATOM 0 HA ALA A 86 2.931 -4.095 6.374 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.037 -5.475 7.163 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.949 -6.287 5.868 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.169 -6.789 7.561 1.00 0.00 H new ATOM 1313 N LYS A 87 2.836 -3.088 8.614 1.00 0.00 N ATOM 1314 CA LYS A 87 2.827 -2.440 9.921 1.00 0.00 C ATOM 1315 C LYS A 87 1.548 -1.635 10.123 1.00 0.00 C ATOM 1316 O LYS A 87 0.878 -1.263 9.160 1.00 0.00 O ATOM 1317 CB LYS A 87 4.046 -1.529 10.069 1.00 0.00 C ATOM 1318 CG LYS A 87 5.362 -2.283 10.171 1.00 0.00 C ATOM 1319 CD LYS A 87 6.030 -2.422 8.813 1.00 0.00 C ATOM 1320 CE LYS A 87 7.160 -3.439 8.850 1.00 0.00 C ATOM 1321 NZ LYS A 87 8.192 -3.085 9.863 1.00 0.00 N1+ ATOM 0 H LYS A 87 2.597 -2.473 7.836 1.00 0.00 H new ATOM 0 HA LYS A 87 2.868 -3.218 10.684 1.00 0.00 H new ATOM 0 HB2 LYS A 87 4.090 -0.853 9.215 1.00 0.00 H new ATOM 0 HB3 LYS A 87 3.921 -0.911 10.958 1.00 0.00 H new ATOM 0 HG2 LYS A 87 6.030 -1.760 10.855 1.00 0.00 H new ATOM 0 HG3 LYS A 87 5.184 -3.272 10.593 1.00 0.00 H new ATOM 0 HD2 LYS A 87 5.290 -2.725 8.072 1.00 0.00 H new ATOM 0 HD3 LYS A 87 6.420 -1.454 8.497 1.00 0.00 H new ATOM 0 HE2 LYS A 87 6.754 -4.425 9.075 1.00 0.00 H new ATOM 0 HE3 LYS A 87 7.624 -3.502 7.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 8.993 -3.744 9.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 8.525 -2.114 9.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 7.780 -3.149 10.816 1.00 0.00 H new ATOM 1335 N GLU A 88 1.216 -1.369 11.382 1.00 0.00 N ATOM 1336 CA GLU A 88 0.017 -0.607 11.713 1.00 0.00 C ATOM 1337 C GLU A 88 0.374 0.671 12.464 1.00 0.00 C ATOM 1338 O GLU A 88 1.455 0.782 13.043 1.00 0.00 O ATOM 1339 CB GLU A 88 -0.935 -1.458 12.555 1.00 0.00 C ATOM 1340 CG GLU A 88 -0.324 -1.946 13.859 1.00 0.00 C ATOM 1341 CD GLU A 88 0.034 -3.419 13.820 1.00 0.00 C ATOM 1342 OE1 GLU A 88 0.772 -3.826 12.898 1.00 0.00 O1- ATOM 1343 OE2 GLU A 88 -0.424 -4.165 14.710 1.00 0.00 O ATOM 0 H GLU A 88 1.761 -1.670 12.190 1.00 0.00 H new ATOM 0 HA GLU A 88 -0.478 -0.332 10.782 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.829 -0.875 12.778 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -1.254 -2.319 11.968 1.00 0.00 H new ATOM 0 HG2 GLU A 88 0.572 -1.364 14.077 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -1.026 -1.768 14.674 1.00 0.00 H new ATOM 1350 N GLN A 89 -0.542 1.635 12.450 1.00 0.00 N ATOM 1351 CA GLN A 89 -0.325 2.906 13.130 1.00 0.00 C ATOM 1352 C GLN A 89 -1.642 3.653 13.315 1.00 0.00 C ATOM 1353 O GLN A 89 -2.515 3.617 12.448 1.00 0.00 O ATOM 1354 CB GLN A 89 0.659 3.771 12.339 1.00 0.00 C ATOM 1355 CG GLN A 89 0.990 5.091 13.015 1.00 0.00 C ATOM 1356 CD GLN A 89 2.284 5.035 13.803 1.00 0.00 C ATOM 1357 OE1 GLN A 89 3.265 5.692 13.455 1.00 0.00 O ATOM 1358 NE2 GLN A 89 2.293 4.246 14.871 1.00 0.00 N ATOM 0 H GLN A 89 -1.441 1.559 11.975 1.00 0.00 H new ATOM 0 HA GLN A 89 0.096 2.697 14.113 1.00 0.00 H new ATOM 0 HB2 GLN A 89 1.581 3.210 12.186 1.00 0.00 H new ATOM 0 HB3 GLN A 89 0.241 3.973 11.353 1.00 0.00 H new ATOM 0 HG2 GLN A 89 1.063 5.873 12.260 1.00 0.00 H new ATOM 0 HG3 GLN A 89 0.174 5.367 13.683 1.00 0.00 H new ATOM 0 HE21 GLN A 89 1.457 3.719 15.123 1.00 0.00 H new ATOM 0 HE22 GLN A 89 3.136 4.167 15.439 1.00 0.00 H new ATOM 1367 N VAL A 90 -1.781 4.328 14.452 1.00 0.00 N ATOM 1368 CA VAL A 90 -2.993 5.081 14.749 1.00 0.00 C ATOM 1369 C VAL A 90 -2.736 6.584 14.702 1.00 0.00 C ATOM 1370 O VAL A 90 -1.928 7.110 15.467 1.00 0.00 O ATOM 1371 CB VAL A 90 -3.559 4.712 16.133 1.00 0.00 C ATOM 1372 CG1 VAL A 90 -4.925 5.348 16.339 1.00 0.00 C ATOM 1373 CG2 VAL A 90 -3.636 3.202 16.293 1.00 0.00 C ATOM 0 H VAL A 90 -1.069 4.368 15.182 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.722 4.817 13.983 1.00 0.00 H new ATOM 0 HB VAL A 90 -2.885 5.101 16.896 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -5.309 5.076 17.322 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -4.835 6.432 16.272 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.612 4.992 15.571 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -4.038 2.960 17.277 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -4.287 2.787 15.523 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.638 2.774 16.194 1.00 0.00 H new ATOM 1383 N VAL A 91 -3.432 7.268 13.800 1.00 0.00 N ATOM 1384 CA VAL A 91 -3.285 8.711 13.650 1.00 0.00 C ATOM 1385 C VAL A 91 -4.497 9.312 12.947 1.00 0.00 C ATOM 1386 O VAL A 91 -4.611 9.248 11.723 1.00 0.00 O ATOM 1387 CB VAL A 91 -2.015 9.068 12.856 1.00 0.00 C ATOM 1388 CG1 VAL A 91 -0.775 8.880 13.717 1.00 0.00 C ATOM 1389 CG2 VAL A 91 -1.924 8.234 11.588 1.00 0.00 C ATOM 0 H VAL A 91 -4.105 6.845 13.161 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.204 9.128 14.654 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.073 10.118 12.568 1.00 0.00 H new ATOM 0 HG11 VAL A 91 0.112 9.137 13.138 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.838 9.527 14.592 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.710 7.841 14.039 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.020 8.501 11.041 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.891 7.176 11.850 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.796 8.426 10.963 1.00 0.00 H new ATOM 1399 N SER A 92 -5.401 9.893 13.729 1.00 0.00 N ATOM 1400 CA SER A 92 -6.607 10.501 13.179 1.00 0.00 C ATOM 1401 C SER A 92 -7.448 9.466 12.437 1.00 0.00 C ATOM 1402 O SER A 92 -8.230 9.807 11.550 1.00 0.00 O ATOM 1403 CB SER A 92 -6.241 11.649 12.237 1.00 0.00 C ATOM 1404 OG SER A 92 -5.400 12.590 12.882 1.00 0.00 O ATOM 0 H SER A 92 -5.322 9.956 14.744 1.00 0.00 H new ATOM 0 HA SER A 92 -7.196 10.895 14.007 1.00 0.00 H new ATOM 0 HB2 SER A 92 -5.739 11.253 11.354 1.00 0.00 H new ATOM 0 HB3 SER A 92 -7.149 12.144 11.892 1.00 0.00 H new ATOM 0 HG SER A 92 -5.179 13.313 12.258 1.00 0.00 H new ATOM 1410 N GLY A 93 -7.281 8.199 12.805 1.00 0.00 N ATOM 1411 CA GLY A 93 -8.028 7.134 12.164 1.00 0.00 C ATOM 1412 C GLY A 93 -7.284 5.814 12.195 1.00 0.00 C ATOM 1413 O GLY A 93 -7.065 5.242 13.262 1.00 0.00 O ATOM 0 H GLY A 93 -6.640 7.892 13.537 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -8.991 7.018 12.661 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -8.234 7.409 11.130 1.00 0.00 H new ATOM 1417 N MET A 94 -6.894 5.330 11.021 1.00 0.00 N ATOM 1418 CA MET A 94 -6.169 4.069 10.919 1.00 0.00 C ATOM 1419 C MET A 94 -5.149 4.117 9.785 1.00 0.00 C ATOM 1420 O MET A 94 -5.513 4.216 8.613 1.00 0.00 O ATOM 1421 CB MET A 94 -7.144 2.912 10.695 1.00 0.00 C ATOM 1422 CG MET A 94 -8.019 2.611 11.901 1.00 0.00 C ATOM 1423 SD MET A 94 -7.151 1.669 13.170 1.00 0.00 S ATOM 1424 CE MET A 94 -7.217 2.812 14.546 1.00 0.00 C ATOM 0 H MET A 94 -7.067 5.791 10.128 1.00 0.00 H new ATOM 0 HA MET A 94 -5.636 3.909 11.856 1.00 0.00 H new ATOM 0 HB2 MET A 94 -7.782 3.146 9.843 1.00 0.00 H new ATOM 0 HB3 MET A 94 -6.579 2.017 10.434 1.00 0.00 H new ATOM 0 HG2 MET A 94 -8.376 3.548 12.329 1.00 0.00 H new ATOM 0 HG3 MET A 94 -8.898 2.053 11.577 1.00 0.00 H new ATOM 0 HE1 MET A 94 -7.323 2.255 15.477 1.00 0.00 H new ATOM 0 HE2 MET A 94 -6.299 3.399 14.576 1.00 0.00 H new ATOM 0 HE3 MET A 94 -8.070 3.480 14.424 1.00 0.00 H new ATOM 1434 N MET A 95 -3.871 4.043 10.143 1.00 0.00 N ATOM 1435 CA MET A 95 -2.797 4.074 9.157 1.00 0.00 C ATOM 1436 C MET A 95 -2.077 2.730 9.104 1.00 0.00 C ATOM 1437 O MET A 95 -1.899 2.071 10.128 1.00 0.00 O ATOM 1438 CB MET A 95 -1.802 5.190 9.487 1.00 0.00 C ATOM 1439 CG MET A 95 -1.361 5.989 8.272 1.00 0.00 C ATOM 1440 SD MET A 95 -0.388 7.442 8.712 1.00 0.00 S ATOM 1441 CE MET A 95 -1.460 8.756 8.136 1.00 0.00 C ATOM 0 H MET A 95 -3.554 3.961 11.109 1.00 0.00 H new ATOM 0 HA MET A 95 -3.237 4.272 8.179 1.00 0.00 H new ATOM 0 HB2 MET A 95 -2.255 5.867 10.212 1.00 0.00 H new ATOM 0 HB3 MET A 95 -0.924 4.754 9.963 1.00 0.00 H new ATOM 0 HG2 MET A 95 -0.773 5.348 7.615 1.00 0.00 H new ATOM 0 HG3 MET A 95 -2.240 6.302 7.709 1.00 0.00 H new ATOM 0 HE1 MET A 95 -0.872 9.659 7.971 1.00 0.00 H new ATOM 0 HE2 MET A 95 -1.934 8.455 7.202 1.00 0.00 H new ATOM 0 HE3 MET A 95 -2.227 8.954 8.885 1.00 0.00 H new ATOM 1451 N HIS A 96 -1.669 2.327 7.905 1.00 0.00 N ATOM 1452 CA HIS A 96 -0.973 1.058 7.726 1.00 0.00 C ATOM 1453 C HIS A 96 0.281 1.232 6.875 1.00 0.00 C ATOM 1454 O HIS A 96 0.212 1.694 5.736 1.00 0.00 O ATOM 1455 CB HIS A 96 -1.903 0.031 7.078 1.00 0.00 C ATOM 1456 CG HIS A 96 -1.709 -1.361 7.592 1.00 0.00 C ATOM 1457 ND1 HIS A 96 -1.808 -1.692 8.927 1.00 0.00 N ATOM 1458 CD2 HIS A 96 -1.419 -2.514 6.941 1.00 0.00 C ATOM 1459 CE1 HIS A 96 -1.587 -2.986 9.076 1.00 0.00 C ATOM 1460 NE2 HIS A 96 -1.350 -3.507 7.886 1.00 0.00 N ATOM 0 H HIS A 96 -1.808 2.859 7.046 1.00 0.00 H new ATOM 0 HA HIS A 96 -0.671 0.700 8.710 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -2.937 0.331 7.248 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -1.742 0.037 6.000 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -1.270 -2.630 5.878 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -1.598 -3.526 10.011 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -1.148 -4.489 7.699 1.00 0.00 H new ATOM 1469 N TYR A 97 1.424 0.852 7.436 1.00 0.00 N ATOM 1470 CA TYR A 97 2.696 0.957 6.732 1.00 0.00 C ATOM 1471 C TYR A 97 3.149 -0.417 6.250 1.00 0.00 C ATOM 1472 O TYR A 97 3.787 -1.165 6.990 1.00 0.00 O ATOM 1473 CB TYR A 97 3.761 1.569 7.645 1.00 0.00 C ATOM 1474 CG TYR A 97 3.550 3.040 7.927 1.00 0.00 C ATOM 1475 CD1 TYR A 97 2.350 3.504 8.453 1.00 0.00 C ATOM 1476 CD2 TYR A 97 4.553 3.966 7.668 1.00 0.00 C ATOM 1477 CE1 TYR A 97 2.157 4.848 8.712 1.00 0.00 C ATOM 1478 CE2 TYR A 97 4.367 5.311 7.925 1.00 0.00 C ATOM 1479 CZ TYR A 97 3.168 5.747 8.446 1.00 0.00 C ATOM 1480 OH TYR A 97 2.979 7.085 8.702 1.00 0.00 O ATOM 0 H TYR A 97 1.495 0.468 8.378 1.00 0.00 H new ATOM 0 HA TYR A 97 2.560 1.606 5.867 1.00 0.00 H new ATOM 0 HB2 TYR A 97 3.773 1.025 8.590 1.00 0.00 H new ATOM 0 HB3 TYR A 97 4.741 1.433 7.187 1.00 0.00 H new ATOM 0 HD1 TYR A 97 1.556 2.803 8.663 1.00 0.00 H new ATOM 0 HD2 TYR A 97 5.494 3.629 7.259 1.00 0.00 H new ATOM 0 HE1 TYR A 97 1.219 5.192 9.121 1.00 0.00 H new ATOM 0 HE2 TYR A 97 5.158 6.017 7.719 1.00 0.00 H new ATOM 0 HH TYR A 97 3.651 7.393 9.346 1.00 0.00 H new ATOM 1490 N LEU A 98 2.807 -0.748 5.009 1.00 0.00 N ATOM 1491 CA LEU A 98 3.170 -2.040 4.436 1.00 0.00 C ATOM 1492 C LEU A 98 4.171 -1.883 3.298 1.00 0.00 C ATOM 1493 O LEU A 98 4.082 -0.949 2.501 1.00 0.00 O ATOM 1494 CB LEU A 98 1.920 -2.760 3.928 1.00 0.00 C ATOM 1495 CG LEU A 98 1.241 -2.103 2.723 1.00 0.00 C ATOM 1496 CD1 LEU A 98 0.939 -3.136 1.648 1.00 0.00 C ATOM 1497 CD2 LEU A 98 -0.031 -1.387 3.151 1.00 0.00 C ATOM 0 H LEU A 98 2.280 -0.141 4.381 1.00 0.00 H new ATOM 0 HA LEU A 98 3.638 -2.633 5.222 1.00 0.00 H new ATOM 0 HB2 LEU A 98 2.190 -3.782 3.662 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.199 -2.823 4.743 1.00 0.00 H new ATOM 0 HG LEU A 98 1.925 -1.365 2.304 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.457 -2.649 0.801 1.00 0.00 H new ATOM 0 HD12 LEU A 98 1.868 -3.601 1.319 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.275 -3.900 2.053 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.499 -0.926 2.281 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -0.720 -2.104 3.597 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.214 -0.616 3.882 1.00 0.00 H new ATOM 1509 N THR A 99 5.121 -2.809 3.225 1.00 0.00 N ATOM 1510 CA THR A 99 6.137 -2.785 2.181 1.00 0.00 C ATOM 1511 C THR A 99 5.938 -3.949 1.218 1.00 0.00 C ATOM 1512 O THR A 99 5.719 -5.083 1.643 1.00 0.00 O ATOM 1513 CB THR A 99 7.534 -2.853 2.798 1.00 0.00 C ATOM 1514 OG1 THR A 99 7.525 -2.351 4.123 1.00 0.00 O ATOM 1515 CG2 THR A 99 8.572 -2.076 2.018 1.00 0.00 C ATOM 0 H THR A 99 5.208 -3.587 3.879 1.00 0.00 H new ATOM 0 HA THR A 99 6.040 -1.851 1.628 1.00 0.00 H new ATOM 0 HB THR A 99 7.805 -3.909 2.779 1.00 0.00 H new ATOM 0 HG1 THR A 99 8.428 -2.405 4.500 1.00 0.00 H new ATOM 0 HG21 THR A 99 9.540 -2.166 2.510 1.00 0.00 H new ATOM 0 HG22 THR A 99 8.641 -2.475 1.006 1.00 0.00 H new ATOM 0 HG23 THR A 99 8.284 -1.026 1.975 1.00 0.00 H new ATOM 1523 N VAL A 100 6.013 -3.667 -0.079 1.00 0.00 N ATOM 1524 CA VAL A 100 5.838 -4.705 -1.088 1.00 0.00 C ATOM 1525 C VAL A 100 6.905 -4.608 -2.173 1.00 0.00 C ATOM 1526 O VAL A 100 7.544 -3.569 -2.342 1.00 0.00 O ATOM 1527 CB VAL A 100 4.432 -4.643 -1.731 1.00 0.00 C ATOM 1528 CG1 VAL A 100 3.365 -4.456 -0.663 1.00 0.00 C ATOM 1529 CG2 VAL A 100 4.345 -3.535 -2.771 1.00 0.00 C ATOM 0 H VAL A 100 6.192 -2.735 -0.454 1.00 0.00 H new ATOM 0 HA VAL A 100 5.942 -5.662 -0.577 1.00 0.00 H new ATOM 0 HB VAL A 100 4.256 -5.591 -2.239 1.00 0.00 H new ATOM 0 HG11 VAL A 100 2.383 -4.415 -1.133 1.00 0.00 H new ATOM 0 HG12 VAL A 100 3.398 -5.293 0.035 1.00 0.00 H new ATOM 0 HG13 VAL A 100 3.549 -3.527 -0.124 1.00 0.00 H new ATOM 0 HG21 VAL A 100 3.344 -3.519 -3.203 1.00 0.00 H new ATOM 0 HG22 VAL A 100 4.551 -2.575 -2.298 1.00 0.00 H new ATOM 0 HG23 VAL A 100 5.077 -3.716 -3.558 1.00 0.00 H new ATOM 1539 N GLU A 101 7.092 -5.699 -2.907 1.00 0.00 N ATOM 1540 CA GLU A 101 8.079 -5.740 -3.977 1.00 0.00 C ATOM 1541 C GLU A 101 7.463 -5.284 -5.294 1.00 0.00 C ATOM 1542 O GLU A 101 6.360 -5.699 -5.651 1.00 0.00 O ATOM 1543 CB GLU A 101 8.645 -7.154 -4.125 1.00 0.00 C ATOM 1544 CG GLU A 101 9.893 -7.400 -3.293 1.00 0.00 C ATOM 1545 CD GLU A 101 10.347 -8.846 -3.338 1.00 0.00 C ATOM 1546 OE1 GLU A 101 9.550 -9.731 -2.962 1.00 0.00 O ATOM 1547 OE2 GLU A 101 11.500 -9.093 -3.749 1.00 0.00 O1- ATOM 0 H GLU A 101 6.572 -6.567 -2.780 1.00 0.00 H new ATOM 0 HA GLU A 101 8.891 -5.060 -3.719 1.00 0.00 H new ATOM 0 HB2 GLU A 101 7.879 -7.875 -3.838 1.00 0.00 H new ATOM 0 HB3 GLU A 101 8.876 -7.336 -5.175 1.00 0.00 H new ATOM 0 HG2 GLU A 101 10.698 -6.759 -3.653 1.00 0.00 H new ATOM 0 HG3 GLU A 101 9.698 -7.116 -2.259 1.00 0.00 H new ATOM 1554 N VAL A 102 8.178 -4.424 -6.008 1.00 0.00 N ATOM 1555 CA VAL A 102 7.697 -3.908 -7.282 1.00 0.00 C ATOM 1556 C VAL A 102 8.703 -4.164 -8.399 1.00 0.00 C ATOM 1557 O VAL A 102 9.912 -4.191 -8.168 1.00 0.00 O ATOM 1558 CB VAL A 102 7.411 -2.397 -7.200 1.00 0.00 C ATOM 1559 CG1 VAL A 102 6.739 -1.909 -8.473 1.00 0.00 C ATOM 1560 CG2 VAL A 102 6.557 -2.081 -5.982 1.00 0.00 C ATOM 0 H VAL A 102 9.092 -4.070 -5.726 1.00 0.00 H new ATOM 0 HA VAL A 102 6.771 -4.437 -7.507 1.00 0.00 H new ATOM 0 HB VAL A 102 8.361 -1.872 -7.096 1.00 0.00 H new ATOM 0 HG11 VAL A 102 6.545 -0.839 -8.395 1.00 0.00 H new ATOM 0 HG12 VAL A 102 7.392 -2.098 -9.325 1.00 0.00 H new ATOM 0 HG13 VAL A 102 5.797 -2.439 -8.613 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.365 -1.009 -5.940 1.00 0.00 H new ATOM 0 HG22 VAL A 102 5.610 -2.617 -6.053 1.00 0.00 H new ATOM 0 HG23 VAL A 102 7.083 -2.391 -5.079 1.00 0.00 H new ATOM 1570 N ASN A 103 8.192 -4.350 -9.612 1.00 0.00 N ATOM 1571 CA ASN A 103 9.040 -4.603 -10.771 1.00 0.00 C ATOM 1572 C ASN A 103 8.783 -3.571 -11.864 1.00 0.00 C ATOM 1573 O ASN A 103 7.652 -3.120 -12.051 1.00 0.00 O ATOM 1574 CB ASN A 103 8.792 -6.012 -11.313 1.00 0.00 C ATOM 1575 CG ASN A 103 9.848 -6.442 -12.311 1.00 0.00 C ATOM 1576 OD1 ASN A 103 10.163 -5.713 -13.252 1.00 0.00 O ATOM 1577 ND2 ASN A 103 10.403 -7.632 -12.111 1.00 0.00 N ATOM 0 H ASN A 103 7.193 -4.330 -9.818 1.00 0.00 H new ATOM 0 HA ASN A 103 10.080 -4.522 -10.456 1.00 0.00 H new ATOM 0 HB2 ASN A 103 8.771 -6.719 -10.483 1.00 0.00 H new ATOM 0 HB3 ASN A 103 7.811 -6.048 -11.788 1.00 0.00 H new ATOM 0 HD21 ASN A 103 11.120 -7.974 -12.750 1.00 0.00 H new ATOM 0 HD22 ASN A 103 10.112 -8.204 -11.318 1.00 0.00 H new ATOM 1584 N ASP A 104 9.838 -3.198 -12.582 1.00 0.00 N ATOM 1585 CA ASP A 104 9.722 -2.216 -13.654 1.00 0.00 C ATOM 1586 C ASP A 104 10.403 -2.710 -14.927 1.00 0.00 C ATOM 1587 O ASP A 104 11.573 -2.414 -15.172 1.00 0.00 O ATOM 1588 CB ASP A 104 10.334 -0.883 -13.220 1.00 0.00 C ATOM 1589 CG ASP A 104 9.657 0.305 -13.877 1.00 0.00 C ATOM 1590 OD1 ASP A 104 9.616 0.350 -15.124 1.00 0.00 O ATOM 1591 OD2 ASP A 104 9.167 1.189 -13.143 1.00 0.00 O1- ATOM 0 H ASP A 104 10.781 -3.560 -12.441 1.00 0.00 H new ATOM 0 HA ASP A 104 8.662 -2.072 -13.865 1.00 0.00 H new ATOM 0 HB2 ASP A 104 10.259 -0.787 -12.137 1.00 0.00 H new ATOM 0 HB3 ASP A 104 11.395 -0.876 -13.468 1.00 0.00 H new ATOM 1596 N ALA A 105 9.662 -3.462 -15.735 1.00 0.00 N ATOM 1597 CA ALA A 105 10.191 -3.996 -16.986 1.00 0.00 C ATOM 1598 C ALA A 105 11.487 -4.767 -16.757 1.00 0.00 C ATOM 1599 O ALA A 105 12.347 -4.830 -17.636 1.00 0.00 O ATOM 1600 CB ALA A 105 10.415 -2.871 -17.985 1.00 0.00 C ATOM 0 H ALA A 105 8.692 -3.716 -15.546 1.00 0.00 H new ATOM 0 HA ALA A 105 9.456 -4.691 -17.392 1.00 0.00 H new ATOM 0 HB1 ALA A 105 10.810 -3.283 -18.914 1.00 0.00 H new ATOM 0 HB2 ALA A 105 9.469 -2.368 -18.184 1.00 0.00 H new ATOM 0 HB3 ALA A 105 11.127 -2.156 -17.574 1.00 0.00 H new ATOM 1606 N GLY A 106 11.622 -5.352 -15.571 1.00 0.00 N ATOM 1607 CA GLY A 106 12.817 -6.110 -15.250 1.00 0.00 C ATOM 1608 C GLY A 106 13.449 -5.672 -13.944 1.00 0.00 C ATOM 1609 O GLY A 106 13.943 -6.499 -13.178 1.00 0.00 O ATOM 0 H GLY A 106 10.925 -5.315 -14.827 1.00 0.00 H new ATOM 0 HA2 GLY A 106 12.567 -7.169 -15.191 1.00 0.00 H new ATOM 0 HA3 GLY A 106 13.542 -5.998 -16.056 1.00 0.00 H new ATOM 1613 N LYS A 107 13.433 -4.368 -13.689 1.00 0.00 N ATOM 1614 CA LYS A 107 14.010 -3.824 -12.465 1.00 0.00 C ATOM 1615 C LYS A 107 13.198 -4.252 -11.247 1.00 0.00 C ATOM 1616 O LYS A 107 12.073 -3.795 -11.048 1.00 0.00 O ATOM 1617 CB LYS A 107 14.072 -2.297 -12.540 1.00 0.00 C ATOM 1618 CG LYS A 107 15.242 -1.775 -13.359 1.00 0.00 C ATOM 1619 CD LYS A 107 15.078 -0.300 -13.687 1.00 0.00 C ATOM 1620 CE LYS A 107 15.307 0.572 -12.463 1.00 0.00 C ATOM 1621 NZ LYS A 107 16.733 0.979 -12.330 1.00 0.00 N1+ ATOM 0 H LYS A 107 13.028 -3.669 -14.312 1.00 0.00 H new ATOM 0 HA LYS A 107 15.022 -4.217 -12.363 1.00 0.00 H new ATOM 0 HB2 LYS A 107 13.143 -1.925 -12.971 1.00 0.00 H new ATOM 0 HB3 LYS A 107 14.138 -1.894 -11.529 1.00 0.00 H new ATOM 0 HG2 LYS A 107 16.170 -1.925 -12.807 1.00 0.00 H new ATOM 0 HG3 LYS A 107 15.325 -2.347 -14.283 1.00 0.00 H new ATOM 0 HD2 LYS A 107 15.782 -0.020 -14.471 1.00 0.00 H new ATOM 0 HD3 LYS A 107 14.077 -0.123 -14.079 1.00 0.00 H new ATOM 0 HE2 LYS A 107 14.680 1.461 -12.529 1.00 0.00 H new ATOM 0 HE3 LYS A 107 14.999 0.030 -11.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 16.847 1.572 -11.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 17.329 0.131 -12.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 17.020 1.518 -13.172 1.00 0.00 H new ATOM 1635 N LYS A 108 13.776 -5.132 -10.437 1.00 0.00 N ATOM 1636 CA LYS A 108 13.106 -5.624 -9.239 1.00 0.00 C ATOM 1637 C LYS A 108 13.616 -4.904 -7.995 1.00 0.00 C ATOM 1638 O LYS A 108 14.823 -4.798 -7.778 1.00 0.00 O ATOM 1639 CB LYS A 108 13.323 -7.131 -9.094 1.00 0.00 C ATOM 1640 CG LYS A 108 12.609 -7.737 -7.897 1.00 0.00 C ATOM 1641 CD LYS A 108 11.225 -8.240 -8.272 1.00 0.00 C ATOM 1642 CE LYS A 108 10.215 -7.964 -7.170 1.00 0.00 C ATOM 1643 NZ LYS A 108 9.378 -6.769 -7.471 1.00 0.00 N1+ ATOM 0 H LYS A 108 14.707 -5.519 -10.588 1.00 0.00 H new ATOM 0 HA LYS A 108 12.039 -5.424 -9.340 1.00 0.00 H new ATOM 0 HB2 LYS A 108 12.979 -7.628 -10.001 1.00 0.00 H new ATOM 0 HB3 LYS A 108 14.391 -7.329 -9.007 1.00 0.00 H new ATOM 0 HG2 LYS A 108 13.201 -8.560 -7.497 1.00 0.00 H new ATOM 0 HG3 LYS A 108 12.525 -6.992 -7.106 1.00 0.00 H new ATOM 0 HD2 LYS A 108 10.899 -7.759 -9.194 1.00 0.00 H new ATOM 0 HD3 LYS A 108 11.267 -9.311 -8.469 1.00 0.00 H new ATOM 0 HE2 LYS A 108 9.572 -8.834 -7.040 1.00 0.00 H new ATOM 0 HE3 LYS A 108 10.739 -7.812 -6.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 8.429 -6.899 -7.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 9.819 -5.923 -7.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 9.301 -6.650 -8.501 1.00 0.00 H new ATOM 1657 N LYS A 109 12.689 -4.410 -7.179 1.00 0.00 N ATOM 1658 CA LYS A 109 13.050 -3.701 -5.957 1.00 0.00 C ATOM 1659 C LYS A 109 11.917 -3.751 -4.937 1.00 0.00 C ATOM 1660 O LYS A 109 10.798 -4.153 -5.254 1.00 0.00 O ATOM 1661 CB LYS A 109 13.400 -2.245 -6.273 1.00 0.00 C ATOM 1662 CG LYS A 109 14.806 -2.061 -6.819 1.00 0.00 C ATOM 1663 CD LYS A 109 15.147 -0.591 -6.996 1.00 0.00 C ATOM 1664 CE LYS A 109 15.514 0.059 -5.671 1.00 0.00 C ATOM 1665 NZ LYS A 109 16.525 1.138 -5.843 1.00 0.00 N1+ ATOM 0 H LYS A 109 11.685 -4.488 -7.342 1.00 0.00 H new ATOM 0 HA LYS A 109 13.921 -4.195 -5.527 1.00 0.00 H new ATOM 0 HB2 LYS A 109 12.684 -1.857 -6.998 1.00 0.00 H new ATOM 0 HB3 LYS A 109 13.290 -1.649 -5.367 1.00 0.00 H new ATOM 0 HG2 LYS A 109 15.524 -2.523 -6.141 1.00 0.00 H new ATOM 0 HG3 LYS A 109 14.896 -2.574 -7.776 1.00 0.00 H new ATOM 0 HD2 LYS A 109 15.978 -0.491 -7.694 1.00 0.00 H new ATOM 0 HD3 LYS A 109 14.297 -0.069 -7.435 1.00 0.00 H new ATOM 0 HE2 LYS A 109 14.617 0.472 -5.209 1.00 0.00 H new ATOM 0 HE3 LYS A 109 15.904 -0.698 -4.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 16.748 1.556 -4.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 17.390 0.740 -6.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 16.144 1.874 -6.472 1.00 0.00 H new ATOM 1679 N LEU A 110 12.218 -3.334 -3.712 1.00 0.00 N ATOM 1680 CA LEU A 110 11.229 -3.324 -2.639 1.00 0.00 C ATOM 1681 C LEU A 110 10.895 -1.891 -2.234 1.00 0.00 C ATOM 1682 O LEU A 110 11.776 -1.127 -1.841 1.00 0.00 O ATOM 1683 CB LEU A 110 11.752 -4.109 -1.431 1.00 0.00 C ATOM 1684 CG LEU A 110 10.995 -3.877 -0.119 1.00 0.00 C ATOM 1685 CD1 LEU A 110 9.501 -4.074 -0.321 1.00 0.00 C ATOM 1686 CD2 LEU A 110 11.516 -4.808 0.966 1.00 0.00 C ATOM 0 H LEU A 110 13.141 -2.998 -3.437 1.00 0.00 H new ATOM 0 HA LEU A 110 10.319 -3.802 -3.001 1.00 0.00 H new ATOM 0 HB2 LEU A 110 11.718 -5.172 -1.668 1.00 0.00 H new ATOM 0 HB3 LEU A 110 12.800 -3.851 -1.277 1.00 0.00 H new ATOM 0 HG LEU A 110 11.164 -2.848 0.199 1.00 0.00 H new ATOM 0 HD11 LEU A 110 8.981 -3.905 0.622 1.00 0.00 H new ATOM 0 HD12 LEU A 110 9.138 -3.367 -1.067 1.00 0.00 H new ATOM 0 HD13 LEU A 110 9.311 -5.091 -0.663 1.00 0.00 H new ATOM 0 HD21 LEU A 110 10.968 -4.631 1.891 1.00 0.00 H new ATOM 0 HD22 LEU A 110 11.377 -5.843 0.655 1.00 0.00 H new ATOM 0 HD23 LEU A 110 12.577 -4.618 1.130 1.00 0.00 H new ATOM 1698 N TYR A 111 9.620 -1.533 -2.335 1.00 0.00 N ATOM 1699 CA TYR A 111 9.176 -0.189 -1.981 1.00 0.00 C ATOM 1700 C TYR A 111 8.159 -0.227 -0.844 1.00 0.00 C ATOM 1701 O TYR A 111 7.329 -1.134 -0.767 1.00 0.00 O ATOM 1702 CB TYR A 111 8.572 0.509 -3.202 1.00 0.00 C ATOM 1703 CG TYR A 111 9.419 0.399 -4.454 1.00 0.00 C ATOM 1704 CD1 TYR A 111 10.807 0.341 -4.382 1.00 0.00 C ATOM 1705 CD2 TYR A 111 8.827 0.358 -5.710 1.00 0.00 C ATOM 1706 CE1 TYR A 111 11.578 0.245 -5.525 1.00 0.00 C ATOM 1707 CE2 TYR A 111 9.592 0.261 -6.857 1.00 0.00 C ATOM 1708 CZ TYR A 111 10.965 0.205 -6.759 1.00 0.00 C ATOM 1709 OH TYR A 111 11.729 0.109 -7.900 1.00 0.00 O ATOM 0 H TYR A 111 8.877 -2.152 -2.658 1.00 0.00 H new ATOM 0 HA TYR A 111 10.046 0.374 -1.642 1.00 0.00 H new ATOM 0 HB2 TYR A 111 7.589 0.083 -3.402 1.00 0.00 H new ATOM 0 HB3 TYR A 111 8.422 1.563 -2.968 1.00 0.00 H new ATOM 0 HD1 TYR A 111 11.290 0.372 -3.417 1.00 0.00 H new ATOM 0 HD2 TYR A 111 7.751 0.403 -5.792 1.00 0.00 H new ATOM 0 HE1 TYR A 111 12.655 0.202 -5.452 1.00 0.00 H new ATOM 0 HE2 TYR A 111 9.116 0.229 -7.826 1.00 0.00 H new ATOM 0 HH TYR A 111 11.143 0.091 -8.685 1.00 0.00 H new ATOM 1719 N GLU A 112 8.233 0.766 0.038 1.00 0.00 N ATOM 1720 CA GLU A 112 7.323 0.854 1.174 1.00 0.00 C ATOM 1721 C GLU A 112 6.128 1.744 0.849 1.00 0.00 C ATOM 1722 O GLU A 112 6.274 2.788 0.212 1.00 0.00 O ATOM 1723 CB GLU A 112 8.057 1.397 2.402 1.00 0.00 C ATOM 1724 CG GLU A 112 7.583 0.792 3.713 1.00 0.00 C ATOM 1725 CD GLU A 112 7.494 1.814 4.828 1.00 0.00 C ATOM 1726 OE1 GLU A 112 7.177 2.986 4.536 1.00 0.00 O1- ATOM 1727 OE2 GLU A 112 7.742 1.443 5.995 1.00 0.00 O ATOM 0 H GLU A 112 8.916 1.522 -0.013 1.00 0.00 H new ATOM 0 HA GLU A 112 6.957 -0.150 1.391 1.00 0.00 H new ATOM 0 HB2 GLU A 112 9.125 1.208 2.290 1.00 0.00 H new ATOM 0 HB3 GLU A 112 7.928 2.479 2.443 1.00 0.00 H new ATOM 0 HG2 GLU A 112 6.605 0.335 3.565 1.00 0.00 H new ATOM 0 HG3 GLU A 112 8.266 -0.005 4.009 1.00 0.00 H new ATOM 1734 N ALA A 113 4.948 1.325 1.293 1.00 0.00 N ATOM 1735 CA ALA A 113 3.726 2.082 1.052 1.00 0.00 C ATOM 1736 C ALA A 113 2.917 2.239 2.335 1.00 0.00 C ATOM 1737 O ALA A 113 2.680 1.267 3.054 1.00 0.00 O ATOM 1738 CB ALA A 113 2.888 1.401 -0.020 1.00 0.00 C ATOM 0 H ALA A 113 4.812 0.464 1.822 1.00 0.00 H new ATOM 0 HA ALA A 113 4.006 3.076 0.704 1.00 0.00 H new ATOM 0 HB1 ALA A 113 1.978 1.976 -0.191 1.00 0.00 H new ATOM 0 HB2 ALA A 113 3.460 1.343 -0.946 1.00 0.00 H new ATOM 0 HB3 ALA A 113 2.625 0.395 0.308 1.00 0.00 H new ATOM 1744 N LYS A 114 2.492 3.467 2.616 1.00 0.00 N ATOM 1745 CA LYS A 114 1.704 3.742 3.814 1.00 0.00 C ATOM 1746 C LYS A 114 0.335 4.306 3.447 1.00 0.00 C ATOM 1747 O LYS A 114 0.232 5.374 2.845 1.00 0.00 O ATOM 1748 CB LYS A 114 2.443 4.715 4.735 1.00 0.00 C ATOM 1749 CG LYS A 114 2.868 5.999 4.048 1.00 0.00 C ATOM 1750 CD LYS A 114 4.139 6.565 4.660 1.00 0.00 C ATOM 1751 CE LYS A 114 5.376 5.857 4.130 1.00 0.00 C ATOM 1752 NZ LYS A 114 6.570 6.747 4.135 1.00 0.00 N1+ ATOM 0 H LYS A 114 2.678 4.284 2.034 1.00 0.00 H new ATOM 0 HA LYS A 114 1.560 2.800 4.343 1.00 0.00 H new ATOM 0 HB2 LYS A 114 1.800 4.961 5.580 1.00 0.00 H new ATOM 0 HB3 LYS A 114 3.326 4.220 5.139 1.00 0.00 H new ATOM 0 HG2 LYS A 114 3.027 5.809 2.987 1.00 0.00 H new ATOM 0 HG3 LYS A 114 2.068 6.735 4.123 1.00 0.00 H new ATOM 0 HD2 LYS A 114 4.206 7.631 4.441 1.00 0.00 H new ATOM 0 HD3 LYS A 114 4.098 6.465 5.745 1.00 0.00 H new ATOM 0 HE2 LYS A 114 5.578 4.975 4.738 1.00 0.00 H new ATOM 0 HE3 LYS A 114 5.188 5.508 3.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 6.839 6.972 3.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 6.346 7.626 4.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 7.360 6.265 4.609 1.00 0.00 H new ATOM 1766 N VAL A 115 -0.714 3.576 3.812 1.00 0.00 N ATOM 1767 CA VAL A 115 -2.080 3.997 3.522 1.00 0.00 C ATOM 1768 C VAL A 115 -2.785 4.484 4.783 1.00 0.00 C ATOM 1769 O VAL A 115 -2.489 4.027 5.887 1.00 0.00 O ATOM 1770 CB VAL A 115 -2.901 2.852 2.898 1.00 0.00 C ATOM 1771 CG1 VAL A 115 -4.270 3.350 2.461 1.00 0.00 C ATOM 1772 CG2 VAL A 115 -2.153 2.233 1.726 1.00 0.00 C ATOM 0 H VAL A 115 -0.644 2.689 4.310 1.00 0.00 H new ATOM 0 HA VAL A 115 -2.012 4.817 2.807 1.00 0.00 H new ATOM 0 HB VAL A 115 -3.045 2.081 3.655 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -4.834 2.526 2.023 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -4.808 3.739 3.325 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -4.150 4.142 1.721 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -2.749 1.427 1.299 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -1.974 2.994 0.966 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -1.199 1.835 2.072 1.00 0.00 H new ATOM 1782 N TRP A 116 -3.717 5.417 4.612 1.00 0.00 N ATOM 1783 CA TRP A 116 -4.463 5.969 5.737 1.00 0.00 C ATOM 1784 C TRP A 116 -5.966 5.869 5.497 1.00 0.00 C ATOM 1785 O TRP A 116 -6.439 6.051 4.375 1.00 0.00 O ATOM 1786 CB TRP A 116 -4.066 7.427 5.969 1.00 0.00 C ATOM 1787 CG TRP A 116 -4.726 8.045 7.163 1.00 0.00 C ATOM 1788 CD1 TRP A 116 -4.695 7.586 8.449 1.00 0.00 C ATOM 1789 CD2 TRP A 116 -5.516 9.240 7.182 1.00 0.00 C ATOM 1790 NE1 TRP A 116 -5.417 8.422 9.266 1.00 0.00 N ATOM 1791 CE2 TRP A 116 -5.930 9.445 8.512 1.00 0.00 C ATOM 1792 CE3 TRP A 116 -5.912 10.156 6.204 1.00 0.00 C ATOM 1793 CZ2 TRP A 116 -6.721 10.529 8.886 1.00 0.00 C ATOM 1794 CZ3 TRP A 116 -6.697 11.231 6.577 1.00 0.00 C ATOM 1795 CH2 TRP A 116 -7.094 11.410 7.908 1.00 0.00 C ATOM 0 H TRP A 116 -3.973 5.806 3.705 1.00 0.00 H new ATOM 0 HA TRP A 116 -4.218 5.386 6.625 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -2.984 7.485 6.091 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -4.318 8.009 5.083 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -4.178 6.696 8.776 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -5.550 8.301 10.270 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -5.610 10.026 5.175 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -7.029 10.669 9.912 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -7.009 11.945 5.829 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -7.707 12.261 8.168 1.00 0.00 H new ATOM 1806 N GLU A 117 -6.709 5.579 6.561 1.00 0.00 N ATOM 1807 CA GLU A 117 -8.159 5.454 6.474 1.00 0.00 C ATOM 1808 C GLU A 117 -8.814 5.793 7.810 1.00 0.00 C ATOM 1809 O GLU A 117 -8.462 5.228 8.846 1.00 0.00 O ATOM 1810 CB GLU A 117 -8.544 4.034 6.049 1.00 0.00 C ATOM 1811 CG GLU A 117 -10.045 3.793 6.009 1.00 0.00 C ATOM 1812 CD GLU A 117 -10.540 3.003 7.204 1.00 0.00 C ATOM 1813 OE1 GLU A 117 -9.790 2.131 7.692 1.00 0.00 O1- ATOM 1814 OE2 GLU A 117 -11.678 3.255 7.652 1.00 0.00 O ATOM 0 H GLU A 117 -6.329 5.426 7.495 1.00 0.00 H new ATOM 0 HA GLU A 117 -8.517 6.160 5.724 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -8.127 3.834 5.062 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -8.089 3.322 6.738 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -10.562 4.752 5.972 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -10.299 3.258 5.094 1.00 0.00 H new ATOM 1821 N GLN A 118 -9.766 6.720 7.781 1.00 0.00 N ATOM 1822 CA GLN A 118 -10.468 7.135 8.988 1.00 0.00 C ATOM 1823 C GLN A 118 -11.824 6.446 9.093 1.00 0.00 C ATOM 1824 O GLN A 118 -12.240 5.728 8.183 1.00 0.00 O ATOM 1825 CB GLN A 118 -10.654 8.652 8.995 1.00 0.00 C ATOM 1826 CG GLN A 118 -9.458 9.419 8.454 1.00 0.00 C ATOM 1827 CD GLN A 118 -9.538 9.644 6.957 1.00 0.00 C ATOM 1828 OE1 GLN A 118 -10.455 10.301 6.464 1.00 0.00 O ATOM 1829 NE2 GLN A 118 -8.574 9.099 6.224 1.00 0.00 N ATOM 0 H GLN A 118 -10.069 7.198 6.932 1.00 0.00 H new ATOM 0 HA GLN A 118 -9.865 6.844 9.848 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -11.534 8.904 8.402 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -10.853 8.980 10.015 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -9.390 10.382 8.959 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -8.545 8.872 8.687 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -7.833 8.562 6.674 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -8.575 9.217 5.211 1.00 0.00 H new ATOM 1838 N VAL A 119 -12.510 6.670 10.209 1.00 0.00 N ATOM 1839 CA VAL A 119 -13.821 6.072 10.435 1.00 0.00 C ATOM 1840 C VAL A 119 -14.905 7.144 10.515 1.00 0.00 C ATOM 1841 O VAL A 119 -16.023 6.948 10.038 1.00 0.00 O ATOM 1842 CB VAL A 119 -13.841 5.233 11.728 1.00 0.00 C ATOM 1843 CG1 VAL A 119 -13.541 6.103 12.939 1.00 0.00 C ATOM 1844 CG2 VAL A 119 -15.179 4.525 11.887 1.00 0.00 C ATOM 0 H VAL A 119 -12.180 7.262 10.971 1.00 0.00 H new ATOM 0 HA VAL A 119 -14.023 5.418 9.587 1.00 0.00 H new ATOM 0 HB VAL A 119 -13.062 4.474 11.656 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -13.560 5.491 13.841 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -12.555 6.554 12.828 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -14.293 6.889 13.018 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -15.173 3.938 12.805 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -15.979 5.264 11.934 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -15.345 3.865 11.036 1.00 0.00 H new ATOM 1854 N TRP A 120 -14.564 8.277 11.120 1.00 0.00 N ATOM 1855 CA TRP A 120 -15.505 9.383 11.264 1.00 0.00 C ATOM 1856 C TRP A 120 -15.521 10.257 10.012 1.00 0.00 C ATOM 1857 O TRP A 120 -16.483 10.984 9.764 1.00 0.00 O ATOM 1858 CB TRP A 120 -15.144 10.231 12.484 1.00 0.00 C ATOM 1859 CG TRP A 120 -13.741 10.752 12.446 1.00 0.00 C ATOM 1860 CD1 TRP A 120 -13.302 11.882 11.816 1.00 0.00 C ATOM 1861 CD2 TRP A 120 -12.590 10.163 13.062 1.00 0.00 C ATOM 1862 NE1 TRP A 120 -11.949 12.031 12.005 1.00 0.00 N ATOM 1863 CE2 TRP A 120 -11.489 10.989 12.766 1.00 0.00 C ATOM 1864 CE3 TRP A 120 -12.384 9.018 13.836 1.00 0.00 C ATOM 1865 CZ2 TRP A 120 -10.203 10.705 13.217 1.00 0.00 C ATOM 1866 CZ3 TRP A 120 -11.107 8.737 14.283 1.00 0.00 C ATOM 1867 CH2 TRP A 120 -10.031 9.577 13.972 1.00 0.00 C ATOM 0 H TRP A 120 -13.642 8.454 11.519 1.00 0.00 H new ATOM 0 HA TRP A 120 -16.500 8.961 11.402 1.00 0.00 H new ATOM 0 HB2 TRP A 120 -15.835 11.071 12.552 1.00 0.00 H new ATOM 0 HB3 TRP A 120 -15.279 9.634 13.386 1.00 0.00 H new ATOM 0 HD1 TRP A 120 -13.927 12.559 11.252 1.00 0.00 H new ATOM 0 HE1 TRP A 120 -11.380 12.794 11.638 1.00 0.00 H new ATOM 0 HE3 TRP A 120 -13.208 8.364 14.081 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -9.371 11.352 12.980 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 -10.936 7.855 14.882 1.00 0.00 H new ATOM 0 HH2 TRP A 120 -9.045 9.329 14.336 1.00 0.00 H new ATOM 1878 N MET A 121 -14.452 10.181 9.224 1.00 0.00 N ATOM 1879 CA MET A 121 -14.347 10.964 7.999 1.00 0.00 C ATOM 1880 C MET A 121 -14.740 10.125 6.787 1.00 0.00 C ATOM 1881 O MET A 121 -15.161 10.658 5.761 1.00 0.00 O ATOM 1882 CB MET A 121 -12.922 11.494 7.828 1.00 0.00 C ATOM 1883 CG MET A 121 -12.736 12.347 6.583 1.00 0.00 C ATOM 1884 SD MET A 121 -12.423 14.081 6.965 1.00 0.00 S ATOM 1885 CE MET A 121 -10.869 14.341 6.112 1.00 0.00 C ATOM 0 H MET A 121 -13.646 9.585 9.413 1.00 0.00 H new ATOM 0 HA MET A 121 -15.033 11.808 8.074 1.00 0.00 H new ATOM 0 HB2 MET A 121 -12.654 12.083 8.705 1.00 0.00 H new ATOM 0 HB3 MET A 121 -12.232 10.651 7.787 1.00 0.00 H new ATOM 0 HG2 MET A 121 -11.905 11.953 5.999 1.00 0.00 H new ATOM 0 HG3 MET A 121 -13.627 12.272 5.960 1.00 0.00 H new ATOM 0 HE1 MET A 121 -10.544 15.371 6.255 1.00 0.00 H new ATOM 0 HE2 MET A 121 -10.116 13.664 6.514 1.00 0.00 H new ATOM 0 HE3 MET A 121 -11.001 14.146 5.048 1.00 0.00 H new ATOM 1895 N ASN A 122 -14.600 8.809 6.916 1.00 0.00 N ATOM 1896 CA ASN A 122 -14.939 7.894 5.834 1.00 0.00 C ATOM 1897 C ASN A 122 -14.063 8.150 4.612 1.00 0.00 C ATOM 1898 O ASN A 122 -14.538 8.112 3.476 1.00 0.00 O ATOM 1899 CB ASN A 122 -16.416 8.034 5.460 1.00 0.00 C ATOM 1900 CG ASN A 122 -17.312 7.144 6.300 1.00 0.00 C ATOM 1901 OD1 ASN A 122 -17.195 7.262 7.617 1.00 0.00 O flip ATOM 1902 ND2 ASN A 122 -18.099 6.361 5.770 1.00 0.00 N flip ATOM 0 H ASN A 122 -14.254 8.353 7.760 1.00 0.00 H new ATOM 0 HA ASN A 122 -14.758 6.877 6.181 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -16.722 9.073 5.583 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -16.546 7.786 4.407 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -18.155 6.304 4.753 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -18.696 5.769 6.347 1.00 0.00 H new ATOM 1909 N PHE A 123 -12.783 8.409 4.853 1.00 0.00 N ATOM 1910 CA PHE A 123 -11.839 8.671 3.773 1.00 0.00 C ATOM 1911 C PHE A 123 -10.638 7.735 3.865 1.00 0.00 C ATOM 1912 O PHE A 123 -10.132 7.463 4.954 1.00 0.00 O ATOM 1913 CB PHE A 123 -11.372 10.127 3.818 1.00 0.00 C ATOM 1914 CG PHE A 123 -11.350 10.792 2.471 1.00 0.00 C ATOM 1915 CD1 PHE A 123 -10.586 10.271 1.439 1.00 0.00 C ATOM 1916 CD2 PHE A 123 -12.092 11.939 2.238 1.00 0.00 C ATOM 1917 CE1 PHE A 123 -10.564 10.881 0.199 1.00 0.00 C ATOM 1918 CE2 PHE A 123 -12.073 12.554 1.001 1.00 0.00 C ATOM 1919 CZ PHE A 123 -11.308 12.024 -0.020 1.00 0.00 C ATOM 0 H PHE A 123 -12.375 8.443 5.787 1.00 0.00 H new ATOM 0 HA PHE A 123 -12.347 8.490 2.826 1.00 0.00 H new ATOM 0 HB2 PHE A 123 -12.028 10.690 4.482 1.00 0.00 H new ATOM 0 HB3 PHE A 123 -10.372 10.166 4.250 1.00 0.00 H new ATOM 0 HD1 PHE A 123 -10.001 9.378 1.605 1.00 0.00 H new ATOM 0 HD2 PHE A 123 -12.692 12.357 3.033 1.00 0.00 H new ATOM 0 HE1 PHE A 123 -9.966 10.464 -0.598 1.00 0.00 H new ATOM 0 HE2 PHE A 123 -12.655 13.448 0.832 1.00 0.00 H new ATOM 0 HZ PHE A 123 -11.292 12.503 -0.988 1.00 0.00 H new ATOM 1929 N ARG A 124 -10.187 7.246 2.714 1.00 0.00 N ATOM 1930 CA ARG A 124 -9.045 6.340 2.664 1.00 0.00 C ATOM 1931 C ARG A 124 -8.229 6.566 1.396 1.00 0.00 C ATOM 1932 O ARG A 124 -8.775 6.593 0.293 1.00 0.00 O ATOM 1933 CB ARG A 124 -9.517 4.887 2.728 1.00 0.00 C ATOM 1934 CG ARG A 124 -10.575 4.545 1.692 1.00 0.00 C ATOM 1935 CD ARG A 124 -11.969 4.906 2.180 1.00 0.00 C ATOM 1936 NE ARG A 124 -12.800 5.448 1.108 1.00 0.00 N ATOM 1937 CZ ARG A 124 -14.102 5.696 1.234 1.00 0.00 C ATOM 1938 NH1 ARG A 124 -14.724 5.453 2.381 1.00 0.00 N1+ ATOM 1939 NH2 ARG A 124 -14.784 6.190 0.209 1.00 0.00 N ATOM 0 H ARG A 124 -10.595 7.462 1.804 1.00 0.00 H new ATOM 0 HA ARG A 124 -8.410 6.546 3.526 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -8.659 4.229 2.590 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -9.916 4.687 3.722 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -10.364 5.078 0.765 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -10.532 3.480 1.465 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -12.448 4.020 2.597 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -11.893 5.637 2.985 1.00 0.00 H new ATOM 0 HE ARG A 124 -12.357 5.648 0.211 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -14.204 5.074 3.173 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -15.722 5.645 2.471 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -14.311 6.379 -0.675 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -15.782 6.380 0.304 1.00 0.00 H new ATOM 1953 N GLN A 125 -6.921 6.729 1.558 1.00 0.00 N ATOM 1954 CA GLN A 125 -6.036 6.953 0.420 1.00 0.00 C ATOM 1955 C GLN A 125 -4.581 6.689 0.794 1.00 0.00 C ATOM 1956 O GLN A 125 -4.262 6.443 1.957 1.00 0.00 O ATOM 1957 CB GLN A 125 -6.188 8.386 -0.096 1.00 0.00 C ATOM 1958 CG GLN A 125 -6.212 9.431 1.008 1.00 0.00 C ATOM 1959 CD GLN A 125 -5.435 10.681 0.644 1.00 0.00 C ATOM 1960 OE1 GLN A 125 -5.943 11.562 -0.049 1.00 0.00 O ATOM 1961 NE2 GLN A 125 -4.195 10.763 1.111 1.00 0.00 N ATOM 0 H GLN A 125 -6.451 6.710 2.463 1.00 0.00 H new ATOM 0 HA GLN A 125 -6.320 6.255 -0.368 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -5.366 8.607 -0.777 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -7.109 8.459 -0.674 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -7.245 9.701 1.226 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -5.796 9.001 1.919 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -3.814 10.009 1.682 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -3.623 11.580 0.899 1.00 0.00 H new ATOM 1970 N LEU A 126 -3.703 6.744 -0.203 1.00 0.00 N ATOM 1971 CA LEU A 126 -2.280 6.514 0.017 1.00 0.00 C ATOM 1972 C LEU A 126 -1.613 7.765 0.579 1.00 0.00 C ATOM 1973 O LEU A 126 -1.886 8.880 0.133 1.00 0.00 O ATOM 1974 CB LEU A 126 -1.601 6.101 -1.291 1.00 0.00 C ATOM 1975 CG LEU A 126 -0.078 5.951 -1.214 1.00 0.00 C ATOM 1976 CD1 LEU A 126 0.361 4.619 -1.804 1.00 0.00 C ATOM 1977 CD2 LEU A 126 0.610 7.104 -1.931 1.00 0.00 C ATOM 0 H LEU A 126 -3.953 6.946 -1.171 1.00 0.00 H new ATOM 0 HA LEU A 126 -2.172 5.708 0.742 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -2.028 5.154 -1.620 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -1.839 6.841 -2.055 1.00 0.00 H new ATOM 0 HG LEU A 126 0.215 5.974 -0.164 1.00 0.00 H new ATOM 0 HD11 LEU A 126 1.446 4.532 -1.740 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -0.102 3.804 -1.247 1.00 0.00 H new ATOM 0 HD13 LEU A 126 0.054 4.565 -2.849 1.00 0.00 H new ATOM 0 HD21 LEU A 126 1.691 6.980 -1.866 1.00 0.00 H new ATOM 0 HD22 LEU A 126 0.309 7.113 -2.978 1.00 0.00 H new ATOM 0 HD23 LEU A 126 0.324 8.046 -1.463 1.00 0.00 H new ATOM 1989 N GLN A 127 -0.741 7.574 1.562 1.00 0.00 N ATOM 1990 CA GLN A 127 -0.039 8.688 2.186 1.00 0.00 C ATOM 1991 C GLN A 127 1.309 8.930 1.516 1.00 0.00 C ATOM 1992 O GLN A 127 1.554 10.003 0.964 1.00 0.00 O ATOM 1993 CB GLN A 127 0.159 8.420 3.681 1.00 0.00 C ATOM 1994 CG GLN A 127 -0.865 9.115 4.567 1.00 0.00 C ATOM 1995 CD GLN A 127 -2.287 8.950 4.064 1.00 0.00 C ATOM 1996 OE1 GLN A 127 -3.093 9.877 4.134 1.00 0.00 O ATOM 1997 NE2 GLN A 127 -2.603 7.764 3.555 1.00 0.00 N ATOM 0 H GLN A 127 -0.504 6.658 1.944 1.00 0.00 H new ATOM 0 HA GLN A 127 -0.648 9.583 2.062 1.00 0.00 H new ATOM 0 HB2 GLN A 127 0.110 7.346 3.858 1.00 0.00 H new ATOM 0 HB3 GLN A 127 1.158 8.746 3.971 1.00 0.00 H new ATOM 0 HG2 GLN A 127 -0.794 8.716 5.579 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -0.626 10.177 4.626 1.00 0.00 H new ATOM 0 HE21 GLN A 127 -1.903 7.023 3.516 1.00 0.00 H new ATOM 0 HE22 GLN A 127 -3.545 7.595 3.203 1.00 0.00 H new ATOM 2006 N GLU A 128 2.183 7.930 1.570 1.00 0.00 N ATOM 2007 CA GLU A 128 3.507 8.045 0.969 1.00 0.00 C ATOM 2008 C GLU A 128 3.985 6.703 0.421 1.00 0.00 C ATOM 2009 O GLU A 128 3.531 5.641 0.852 1.00 0.00 O ATOM 2010 CB GLU A 128 4.519 8.572 1.991 1.00 0.00 C ATOM 2011 CG GLU A 128 3.948 9.611 2.946 1.00 0.00 C ATOM 2012 CD GLU A 128 3.750 10.963 2.288 1.00 0.00 C ATOM 2013 OE1 GLU A 128 3.819 11.034 1.043 1.00 0.00 O ATOM 2014 OE2 GLU A 128 3.525 11.951 3.019 1.00 0.00 O1- ATOM 0 H GLU A 128 1.999 7.034 2.022 1.00 0.00 H new ATOM 0 HA GLU A 128 3.431 8.750 0.142 1.00 0.00 H new ATOM 0 HB2 GLU A 128 4.905 7.734 2.571 1.00 0.00 H new ATOM 0 HB3 GLU A 128 5.364 9.008 1.459 1.00 0.00 H new ATOM 0 HG2 GLU A 128 2.993 9.257 3.334 1.00 0.00 H new ATOM 0 HG3 GLU A 128 4.617 9.721 3.799 1.00 0.00 H new ATOM 2021 N PHE A 129 4.911 6.768 -0.530 1.00 0.00 N ATOM 2022 CA PHE A 129 5.472 5.573 -1.147 1.00 0.00 C ATOM 2023 C PHE A 129 6.976 5.736 -1.345 1.00 0.00 C ATOM 2024 O PHE A 129 7.418 6.471 -2.227 1.00 0.00 O ATOM 2025 CB PHE A 129 4.794 5.300 -2.492 1.00 0.00 C ATOM 2026 CG PHE A 129 4.827 3.856 -2.904 1.00 0.00 C ATOM 2027 CD1 PHE A 129 5.912 3.343 -3.596 1.00 0.00 C ATOM 2028 CD2 PHE A 129 3.771 3.011 -2.600 1.00 0.00 C ATOM 2029 CE1 PHE A 129 5.944 2.016 -3.979 1.00 0.00 C ATOM 2030 CE2 PHE A 129 3.797 1.683 -2.980 1.00 0.00 C ATOM 2031 CZ PHE A 129 4.885 1.184 -3.670 1.00 0.00 C ATOM 0 H PHE A 129 5.291 7.643 -0.892 1.00 0.00 H new ATOM 0 HA PHE A 129 5.293 4.726 -0.485 1.00 0.00 H new ATOM 0 HB2 PHE A 129 3.756 5.630 -2.439 1.00 0.00 H new ATOM 0 HB3 PHE A 129 5.280 5.899 -3.262 1.00 0.00 H new ATOM 0 HD1 PHE A 129 6.743 3.988 -3.839 1.00 0.00 H new ATOM 0 HD2 PHE A 129 2.918 3.395 -2.060 1.00 0.00 H new ATOM 0 HE1 PHE A 129 6.796 1.629 -4.519 1.00 0.00 H new ATOM 0 HE2 PHE A 129 2.967 1.035 -2.738 1.00 0.00 H new ATOM 0 HZ PHE A 129 4.908 0.146 -3.967 1.00 0.00 H new ATOM 2041 N THR A 130 7.757 5.053 -0.515 1.00 0.00 N ATOM 2042 CA THR A 130 9.211 5.133 -0.599 1.00 0.00 C ATOM 2043 C THR A 130 9.781 3.939 -1.355 1.00 0.00 C ATOM 2044 O THR A 130 9.199 2.855 -1.352 1.00 0.00 O ATOM 2045 CB THR A 130 9.824 5.201 0.803 1.00 0.00 C ATOM 2046 OG1 THR A 130 9.891 3.912 1.386 1.00 0.00 O ATOM 2047 CG2 THR A 130 9.054 6.094 1.753 1.00 0.00 C ATOM 0 H THR A 130 7.409 4.439 0.222 1.00 0.00 H new ATOM 0 HA THR A 130 9.466 6.042 -1.145 1.00 0.00 H new ATOM 0 HB THR A 130 10.819 5.622 0.660 1.00 0.00 H new ATOM 0 HG1 THR A 130 10.287 3.978 2.280 1.00 0.00 H new ATOM 0 HG21 THR A 130 9.543 6.096 2.727 1.00 0.00 H new ATOM 0 HG22 THR A 130 9.028 7.109 1.358 1.00 0.00 H new ATOM 0 HG23 THR A 130 8.036 5.720 1.859 1.00 0.00 H new ATOM 2055 N TYR A 131 10.922 4.145 -2.005 1.00 0.00 N ATOM 2056 CA TYR A 131 11.568 3.083 -2.767 1.00 0.00 C ATOM 2057 C TYR A 131 12.825 2.589 -2.059 1.00 0.00 C ATOM 2058 O TYR A 131 13.828 3.298 -1.986 1.00 0.00 O ATOM 2059 CB TYR A 131 11.920 3.577 -4.171 1.00 0.00 C ATOM 2060 CG TYR A 131 12.756 4.838 -4.178 1.00 0.00 C ATOM 2061 CD1 TYR A 131 12.160 6.089 -4.084 1.00 0.00 C ATOM 2062 CD2 TYR A 131 14.140 4.775 -4.280 1.00 0.00 C ATOM 2063 CE1 TYR A 131 12.920 7.243 -4.090 1.00 0.00 C ATOM 2064 CE2 TYR A 131 14.907 5.925 -4.286 1.00 0.00 C ATOM 2065 CZ TYR A 131 14.293 7.156 -4.192 1.00 0.00 C ATOM 2066 OH TYR A 131 15.053 8.303 -4.198 1.00 0.00 O ATOM 0 H TYR A 131 11.418 5.036 -2.019 1.00 0.00 H new ATOM 0 HA TYR A 131 10.869 2.251 -2.846 1.00 0.00 H new ATOM 0 HB2 TYR A 131 12.459 2.791 -4.699 1.00 0.00 H new ATOM 0 HB3 TYR A 131 10.999 3.759 -4.725 1.00 0.00 H new ATOM 0 HD1 TYR A 131 11.085 6.161 -4.005 1.00 0.00 H new ATOM 0 HD2 TYR A 131 14.624 3.813 -4.356 1.00 0.00 H new ATOM 0 HE1 TYR A 131 12.441 8.208 -4.015 1.00 0.00 H new ATOM 0 HE2 TYR A 131 15.982 5.860 -4.364 1.00 0.00 H new ATOM 0 HH TYR A 131 16.001 8.067 -4.275 1.00 0.00 H new ATOM 2076 N LEU A 132 12.762 1.367 -1.538 1.00 0.00 N ATOM 2077 CA LEU A 132 13.896 0.777 -0.836 1.00 0.00 C ATOM 2078 C LEU A 132 14.804 0.027 -1.804 1.00 0.00 C ATOM 2079 O LEU A 132 14.628 0.100 -3.020 1.00 0.00 O ATOM 2080 CB LEU A 132 13.410 -0.171 0.265 1.00 0.00 C ATOM 2081 CG LEU A 132 12.109 0.243 0.956 1.00 0.00 C ATOM 2082 CD1 LEU A 132 11.790 -0.704 2.102 1.00 0.00 C ATOM 2083 CD2 LEU A 132 12.205 1.677 1.458 1.00 0.00 C ATOM 0 H LEU A 132 11.939 0.767 -1.589 1.00 0.00 H new ATOM 0 HA LEU A 132 14.468 1.586 -0.381 1.00 0.00 H new ATOM 0 HB2 LEU A 132 13.274 -1.163 -0.166 1.00 0.00 H new ATOM 0 HB3 LEU A 132 14.192 -0.256 1.020 1.00 0.00 H new ATOM 0 HG LEU A 132 11.299 0.187 0.229 1.00 0.00 H new ATOM 0 HD11 LEU A 132 10.862 -0.395 2.582 1.00 0.00 H new ATOM 0 HD12 LEU A 132 11.679 -1.717 1.716 1.00 0.00 H new ATOM 0 HD13 LEU A 132 12.601 -0.680 2.830 1.00 0.00 H new ATOM 0 HD21 LEU A 132 11.271 1.955 1.947 1.00 0.00 H new ATOM 0 HD22 LEU A 132 13.026 1.759 2.171 1.00 0.00 H new ATOM 0 HD23 LEU A 132 12.387 2.346 0.617 1.00 0.00 H new ATOM 2095 N GLY A 133 15.776 -0.696 -1.256 1.00 0.00 N ATOM 2096 CA GLY A 133 16.697 -1.450 -2.085 1.00 0.00 C ATOM 2097 C GLY A 133 16.045 -2.661 -2.723 1.00 0.00 C ATOM 2098 O GLY A 133 15.682 -2.632 -3.898 1.00 0.00 O ATOM 0 H GLY A 133 15.942 -0.773 -0.252 1.00 0.00 H new ATOM 0 HA2 GLY A 133 17.093 -0.801 -2.866 1.00 0.00 H new ATOM 0 HA3 GLY A 133 17.544 -1.774 -1.480 1.00 0.00 H new ATOM 2102 N ASP A 134 15.897 -3.728 -1.945 1.00 0.00 N ATOM 2103 CA ASP A 134 15.284 -4.955 -2.441 1.00 0.00 C ATOM 2104 C ASP A 134 14.918 -5.885 -1.288 1.00 0.00 C ATOM 2105 O ASP A 134 15.432 -5.746 -0.178 1.00 0.00 O ATOM 2106 CB ASP A 134 16.232 -5.670 -3.406 1.00 0.00 C ATOM 2107 CG ASP A 134 15.605 -6.904 -4.024 1.00 0.00 C ATOM 2108 OD1 ASP A 134 14.488 -6.792 -4.572 1.00 0.00 O ATOM 2109 OD2 ASP A 134 16.231 -7.983 -3.961 1.00 0.00 O1- ATOM 0 H ASP A 134 16.193 -3.768 -0.970 1.00 0.00 H new ATOM 0 HA ASP A 134 14.371 -4.686 -2.972 1.00 0.00 H new ATOM 0 HB2 ASP A 134 16.528 -4.981 -4.197 1.00 0.00 H new ATOM 0 HB3 ASP A 134 17.140 -5.955 -2.875 1.00 0.00 H new ATOM 2114 N ALA A 135 14.026 -6.832 -1.559 1.00 0.00 N ATOM 2115 CA ALA A 135 13.591 -7.784 -0.545 1.00 0.00 C ATOM 2116 C ALA A 135 14.219 -9.155 -0.773 1.00 0.00 C ATOM 2117 O ALA A 135 14.384 -9.901 0.215 1.00 0.00 O ATOM 2118 CB ALA A 135 12.073 -7.891 -0.539 1.00 0.00 C ATOM 2119 OXT ALA A 135 14.540 -9.471 -1.937 1.00 0.00 O ATOM 0 H ALA A 135 13.591 -6.960 -2.472 1.00 0.00 H new ATOM 0 HA ALA A 135 13.923 -7.419 0.427 1.00 0.00 H new ATOM 0 HB1 ALA A 135 11.762 -8.605 0.223 1.00 0.00 H new ATOM 0 HB2 ALA A 135 11.640 -6.915 -0.320 1.00 0.00 H new ATOM 0 HB3 ALA A 135 11.728 -8.229 -1.516 1.00 0.00 H new TER 2125 ALA A 135