USER MOD reduce.3.24.130724 H: found=0, std=0, add=950, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 945 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 37 TYR OH : rot 150:sc= 0.75 USER MOD Set 1.2: A 39 TYR OH : rot 180:sc= 0 USER MOD Set 1.3: A 102 SER OG : rot -108:sc= 1.71 USER MOD Set 2.1: A 85 TYR OH : rot -60:sc= 1.69 USER MOD Set 2.2: A 93 TYR OH : rot -118:sc= 1.23 USER MOD Set 3.1: A 59 SER OG : rot -160:sc= -0.549 USER MOD Set 3.2: A 80 GLN : amide:sc= 0 K(o=-0.55,f=-1.4) USER MOD Set 4.1: A 46 LYS NZ :NH3+ -123:sc= -0.185 (180deg=0) USER MOD Set 4.2: A 48 ASN : amide:sc= -2.55 K(o=-2.7,f=-11!) USER MOD Set 5.1: A 40 GLN : amide:sc= 0.72 K(o=1.6,f=-3.8) USER MOD Set 5.2: A 60 LYS NZ :NH3+ -134:sc= 0.879 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 172:sc= 0 (180deg=-0.0777) USER MOD Single : A 6 ASN : amide:sc= -0.725 K(o=-0.73,f=-4.2!) USER MOD Single : A 13 LYS NZ :NH3+ -109:sc= -0.448 (180deg=-1.4!) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 TYR OH : rot -152:sc= 1.23 USER MOD Single : A 38 MET CE :methyl -153:sc= -3.72 (180deg=-6.76!) USER MOD Single : A 42 LYS NZ :NH3+ 157:sc= -0.0101 (180deg=-0.482) USER MOD Single : A 47 THR OG1 : rot -115:sc= -0.0322 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 160:sc= -0.358 (180deg=-0.66) USER MOD Single : A 72 GLN : amide:sc= -0.279 K(o=-0.28,f=-1.3!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 95:sc= -0.805 USER MOD Single : A 76 HIS :FLIP no HD1:sc= -0.172 F(o=-0.95,f=-0.17) USER MOD Single : A 77 HIS : no HE2:sc= -1.04 K(o=-1,f=-2.2) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.0295 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -0.769 K(o=-0.77,f=-2.5) USER MOD Single : A 108 CYS SG : rot 40:sc= -0.0188 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot -160:sc= 0 USER MOD Single : A 121 ASN : amide:sc= 0.0344 X(o=0.034,f=0) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0.0165 USER MOD Single : A 124 TYR OH : rot 30:sc=-0.00125 USER MOD Single : A 125 HIS :FLIP no HD1:sc= -1.5 F(o=-2.2,f=-1.5) USER MOD Single : A 127 GLN : amide:sc= -0.0516 X(o=-0.052,f=0) USER MOD Single : A 128 THR OG1 : rot 180:sc= -0.0623 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.606 1.506 -3.171 1.00 4.02 N ATOM 2 CA MET A 1 -6.334 1.202 -3.816 1.00 25.42 C ATOM 3 C MET A 1 -5.257 2.194 -3.390 1.00 3.42 C ATOM 4 O MET A 1 -4.468 2.659 -4.212 1.00 3.10 O ATOM 5 CB MET A 1 -6.491 1.223 -5.337 1.00 43.44 C ATOM 6 CG MET A 1 -5.511 0.315 -6.063 1.00 2.43 C ATOM 7 SD MET A 1 -6.294 -1.172 -6.714 1.00 71.22 S ATOM 8 CE MET A 1 -5.739 -2.394 -5.528 1.00 33.20 C ATOM 0 H1 MET A 1 -8.353 0.906 -3.576 1.00 4.02 H new ATOM 0 H2 MET A 1 -7.530 1.322 -2.150 1.00 4.02 H new ATOM 0 H3 MET A 1 -7.843 2.507 -3.326 1.00 4.02 H new ATOM 0 HA MET A 1 -6.027 0.204 -3.504 1.00 25.42 H new ATOM 0 HB2 MET A 1 -7.508 0.925 -5.593 1.00 43.44 H new ATOM 0 HB3 MET A 1 -6.359 2.245 -5.693 1.00 43.44 H new ATOM 0 HG2 MET A 1 -5.049 0.866 -6.882 1.00 2.43 H new ATOM 0 HG3 MET A 1 -4.711 0.030 -5.380 1.00 2.43 H new ATOM 0 HE1 MET A 1 -6.142 -3.371 -5.796 1.00 33.20 H new ATOM 0 HE2 MET A 1 -4.650 -2.437 -5.533 1.00 33.20 H new ATOM 0 HE3 MET A 1 -6.087 -2.119 -4.532 1.00 33.20 H new ATOM 18 N ALA A 2 -5.231 2.515 -2.100 1.00 44.34 N ATOM 19 CA ALA A 2 -4.250 3.452 -1.566 1.00 24.51 C ATOM 20 C ALA A 2 -3.064 2.714 -0.954 1.00 4.04 C ATOM 21 O ALA A 2 -1.947 2.778 -1.469 1.00 25.22 O ATOM 22 CB ALA A 2 -4.897 4.362 -0.533 1.00 53.35 C ATOM 0 H ALA A 2 -5.878 2.140 -1.406 1.00 44.34 H new ATOM 0 HA ALA A 2 -3.880 4.062 -2.390 1.00 24.51 H new ATOM 0 HB1 ALA A 2 -4.153 5.056 -0.143 1.00 53.35 H new ATOM 0 HB2 ALA A 2 -5.707 4.923 -0.999 1.00 53.35 H new ATOM 0 HB3 ALA A 2 -5.295 3.760 0.284 1.00 53.35 H new ATOM 28 N LEU A 3 -3.313 2.015 0.148 1.00 5.13 N ATOM 29 CA LEU A 3 -2.264 1.265 0.832 1.00 53.22 C ATOM 30 C LEU A 3 -1.109 2.180 1.227 1.00 55.14 C ATOM 31 O LEU A 3 0.049 1.765 1.236 1.00 65.23 O ATOM 32 CB LEU A 3 -1.752 0.135 -0.063 1.00 40.40 C ATOM 33 CG LEU A 3 -2.798 -0.877 -0.531 1.00 50.23 C ATOM 34 CD1 LEU A 3 -3.735 -1.243 0.609 1.00 2.24 C ATOM 35 CD2 LEU A 3 -3.583 -0.325 -1.712 1.00 50.23 C ATOM 0 H LEU A 3 -4.231 1.952 0.587 1.00 5.13 H new ATOM 0 HA LEU A 3 -2.690 0.837 1.739 1.00 53.22 H new ATOM 0 HB2 LEU A 3 -1.286 0.578 -0.943 1.00 40.40 H new ATOM 0 HB3 LEU A 3 -0.971 -0.402 0.475 1.00 40.40 H new ATOM 0 HG LEU A 3 -2.281 -1.781 -0.854 1.00 50.23 H new ATOM 0 HD11 LEU A 3 -4.472 -1.964 0.257 1.00 2.24 H new ATOM 0 HD12 LEU A 3 -3.161 -1.681 1.426 1.00 2.24 H new ATOM 0 HD13 LEU A 3 -4.244 -0.347 0.963 1.00 2.24 H new ATOM 0 HD21 LEU A 3 -4.323 -1.059 -2.032 1.00 50.23 H new ATOM 0 HD22 LEU A 3 -4.088 0.594 -1.415 1.00 50.23 H new ATOM 0 HD23 LEU A 3 -2.901 -0.115 -2.536 1.00 50.23 H new ATOM 47 N ASP A 4 -1.434 3.426 1.554 1.00 20.11 N ATOM 48 CA ASP A 4 -0.424 4.399 1.953 1.00 11.33 C ATOM 49 C ASP A 4 -1.065 5.745 2.278 1.00 1.03 C ATOM 50 O ASP A 4 -1.636 6.399 1.406 1.00 63.42 O ATOM 51 CB ASP A 4 0.616 4.570 0.845 1.00 4.24 C ATOM 52 CG ASP A 4 2.026 4.284 1.326 1.00 53.35 C ATOM 53 OD1 ASP A 4 2.349 4.658 2.472 1.00 13.42 O ATOM 54 OD2 ASP A 4 2.806 3.687 0.554 1.00 10.23 O ATOM 0 H ASP A 4 -2.388 3.786 1.551 1.00 20.11 H new ATOM 0 HA ASP A 4 0.070 4.026 2.850 1.00 11.33 H new ATOM 0 HB2 ASP A 4 0.375 3.902 0.018 1.00 4.24 H new ATOM 0 HB3 ASP A 4 0.567 5.588 0.458 1.00 4.24 H new ATOM 59 N ALA A 5 -0.967 6.152 3.540 1.00 50.03 N ATOM 60 CA ALA A 5 -1.536 7.420 3.980 1.00 72.24 C ATOM 61 C ALA A 5 -3.055 7.415 3.848 1.00 73.34 C ATOM 62 O ALA A 5 -3.634 6.499 3.264 1.00 41.41 O ATOM 63 CB ALA A 5 -0.939 8.571 3.184 1.00 71.13 C ATOM 0 H ALA A 5 -0.499 5.622 4.275 1.00 50.03 H new ATOM 0 HA ALA A 5 -1.289 7.555 5.033 1.00 72.24 H new ATOM 0 HB1 ALA A 5 -1.373 9.512 3.523 1.00 71.13 H new ATOM 0 HB2 ALA A 5 0.141 8.595 3.333 1.00 71.13 H new ATOM 0 HB3 ALA A 5 -1.156 8.432 2.125 1.00 71.13 H new ATOM 69 N ASN A 6 -3.696 8.443 4.394 1.00 4.15 N ATOM 70 CA ASN A 6 -5.149 8.556 4.338 1.00 4.04 C ATOM 71 C ASN A 6 -5.812 7.444 5.145 1.00 12.00 C ATOM 72 O ASN A 6 -5.177 6.445 5.484 1.00 11.30 O ATOM 73 CB ASN A 6 -5.629 8.505 2.887 1.00 73.12 C ATOM 74 CG ASN A 6 -6.684 9.553 2.590 1.00 42.53 C ATOM 75 OD1 ASN A 6 -7.751 9.568 3.204 1.00 43.32 O ATOM 76 ND2 ASN A 6 -6.389 10.437 1.643 1.00 12.23 N ATOM 0 H ASN A 6 -3.232 9.210 4.881 1.00 4.15 H new ATOM 0 HA ASN A 6 -5.432 9.514 4.773 1.00 4.04 H new ATOM 0 HB2 ASN A 6 -4.779 8.650 2.221 1.00 73.12 H new ATOM 0 HB3 ASN A 6 -6.034 7.515 2.676 1.00 73.12 H new ATOM 0 HD21 ASN A 6 -7.059 11.166 1.399 1.00 12.23 H new ATOM 0 HD22 ASN A 6 -5.492 10.387 1.160 1.00 12.23 H new ATOM 83 N ASP A 7 -7.093 7.624 5.448 1.00 1.33 N ATOM 84 CA ASP A 7 -7.844 6.636 6.214 1.00 61.25 C ATOM 85 C ASP A 7 -8.531 5.638 5.286 1.00 3.02 C ATOM 86 O ASP A 7 -9.514 5.000 5.663 1.00 74.51 O ATOM 87 CB ASP A 7 -8.882 7.326 7.099 1.00 54.51 C ATOM 88 CG ASP A 7 -10.041 7.890 6.300 1.00 32.01 C ATOM 89 OD1 ASP A 7 -9.788 8.525 5.255 1.00 21.03 O ATOM 90 OD2 ASP A 7 -11.202 7.697 6.720 1.00 25.23 O ATOM 0 H ASP A 7 -7.633 8.445 5.175 1.00 1.33 H new ATOM 0 HA ASP A 7 -7.142 6.093 6.847 1.00 61.25 H new ATOM 0 HB2 ASP A 7 -9.262 6.614 7.831 1.00 54.51 H new ATOM 0 HB3 ASP A 7 -8.403 8.131 7.656 1.00 54.51 H new ATOM 95 N LEU A 8 -8.007 5.509 4.072 1.00 0.32 N ATOM 96 CA LEU A 8 -8.570 4.590 3.090 1.00 71.34 C ATOM 97 C LEU A 8 -8.148 3.154 3.383 1.00 32.45 C ATOM 98 O LEU A 8 -8.753 2.203 2.886 1.00 54.23 O ATOM 99 CB LEU A 8 -8.127 4.985 1.680 1.00 55.03 C ATOM 100 CG LEU A 8 -9.076 5.907 0.912 1.00 23.03 C ATOM 101 CD1 LEU A 8 -9.346 7.175 1.707 1.00 53.22 C ATOM 102 CD2 LEU A 8 -8.500 6.245 -0.455 1.00 74.34 C ATOM 0 H LEU A 8 -7.193 6.029 3.744 1.00 0.32 H new ATOM 0 HA LEU A 8 -9.656 4.651 3.154 1.00 71.34 H new ATOM 0 HB2 LEU A 8 -7.155 5.473 1.750 1.00 55.03 H new ATOM 0 HB3 LEU A 8 -7.985 4.075 1.097 1.00 55.03 H new ATOM 0 HG LEU A 8 -10.022 5.385 0.767 1.00 23.03 H new ATOM 0 HD11 LEU A 8 -10.023 7.819 1.146 1.00 53.22 H new ATOM 0 HD12 LEU A 8 -9.801 6.915 2.663 1.00 53.22 H new ATOM 0 HD13 LEU A 8 -8.408 7.701 1.883 1.00 53.22 H new ATOM 0 HD21 LEU A 8 -9.188 6.902 -0.988 1.00 74.34 H new ATOM 0 HD22 LEU A 8 -7.541 6.748 -0.331 1.00 74.34 H new ATOM 0 HD23 LEU A 8 -8.358 5.328 -1.027 1.00 74.34 H new ATOM 114 N LEU A 9 -7.108 3.003 4.196 1.00 34.43 N ATOM 115 CA LEU A 9 -6.606 1.682 4.559 1.00 34.21 C ATOM 116 C LEU A 9 -6.932 1.356 6.013 1.00 1.23 C ATOM 117 O LEU A 9 -7.190 2.240 6.830 1.00 3.44 O ATOM 118 CB LEU A 9 -5.095 1.610 4.334 1.00 31.53 C ATOM 119 CG LEU A 9 -4.323 2.913 4.539 1.00 1.33 C ATOM 120 CD1 LEU A 9 -2.931 2.629 5.082 1.00 42.51 C ATOM 121 CD2 LEU A 9 -4.240 3.695 3.236 1.00 33.22 C ATOM 0 H LEU A 9 -6.596 3.779 4.616 1.00 34.43 H new ATOM 0 HA LEU A 9 -7.097 0.946 3.923 1.00 34.21 H new ATOM 0 HB2 LEU A 9 -4.683 0.858 5.007 1.00 31.53 H new ATOM 0 HB3 LEU A 9 -4.916 1.261 3.317 1.00 31.53 H new ATOM 0 HG LEU A 9 -4.859 3.519 5.269 1.00 1.33 H new ATOM 0 HD11 LEU A 9 -2.396 3.568 5.222 1.00 42.51 H new ATOM 0 HD12 LEU A 9 -3.012 2.112 6.038 1.00 42.51 H new ATOM 0 HD13 LEU A 9 -2.386 2.003 4.376 1.00 42.51 H new ATOM 0 HD21 LEU A 9 -3.687 4.620 3.401 1.00 33.22 H new ATOM 0 HD22 LEU A 9 -3.728 3.095 2.484 1.00 33.22 H new ATOM 0 HD23 LEU A 9 -5.246 3.931 2.889 1.00 33.22 H new ATOM 133 N PRO A 10 -6.918 0.057 6.346 1.00 12.04 N ATOM 134 CA PRO A 10 -7.207 -0.415 7.704 1.00 62.22 C ATOM 135 C PRO A 10 -6.104 -0.050 8.692 1.00 52.44 C ATOM 136 O PRO A 10 -4.958 0.196 8.316 1.00 4.01 O ATOM 137 CB PRO A 10 -7.295 -1.935 7.539 1.00 13.55 C ATOM 138 CG PRO A 10 -6.466 -2.235 6.339 1.00 54.45 C ATOM 139 CD PRO A 10 -6.619 -1.051 5.424 1.00 53.03 C ATOM 0 HA PRO A 10 -8.112 0.038 8.109 1.00 62.22 H new ATOM 0 HB2 PRO A 10 -6.916 -2.451 8.421 1.00 13.55 H new ATOM 0 HB3 PRO A 10 -8.326 -2.259 7.399 1.00 13.55 H new ATOM 0 HG2 PRO A 10 -5.422 -2.384 6.613 1.00 54.45 H new ATOM 0 HG3 PRO A 10 -6.801 -3.151 5.852 1.00 54.45 H new ATOM 0 HD2 PRO A 10 -5.709 -0.864 4.853 1.00 53.03 H new ATOM 0 HD3 PRO A 10 -7.422 -1.202 4.703 1.00 53.03 H new ATOM 147 N PRO A 11 -6.456 -0.012 9.985 1.00 20.34 N ATOM 148 CA PRO A 11 -5.509 0.321 11.054 1.00 55.52 C ATOM 149 C PRO A 11 -4.468 -0.771 11.267 1.00 25.24 C ATOM 150 O PRO A 11 -3.529 -0.602 12.045 1.00 32.34 O ATOM 151 CB PRO A 11 -6.403 0.457 12.289 1.00 2.44 C ATOM 152 CG PRO A 11 -7.593 -0.387 11.991 1.00 54.23 C ATOM 153 CD PRO A 11 -7.805 -0.294 10.505 1.00 42.21 C ATOM 0 HA PRO A 11 -4.935 1.219 10.825 1.00 55.52 H new ATOM 0 HB2 PRO A 11 -5.890 0.115 13.188 1.00 2.44 H new ATOM 0 HB3 PRO A 11 -6.687 1.495 12.459 1.00 2.44 H new ATOM 0 HG2 PRO A 11 -7.426 -1.420 12.297 1.00 54.23 H new ATOM 0 HG3 PRO A 11 -8.469 -0.032 12.533 1.00 54.23 H new ATOM 0 HD2 PRO A 11 -8.207 -1.222 10.098 1.00 42.21 H new ATOM 0 HD3 PRO A 11 -8.508 0.498 10.248 1.00 42.21 H new ATOM 161 N GLU A 12 -4.639 -1.891 10.571 1.00 13.34 N ATOM 162 CA GLU A 12 -3.713 -3.011 10.687 1.00 43.24 C ATOM 163 C GLU A 12 -2.459 -2.768 9.851 1.00 11.11 C ATOM 164 O GLU A 12 -1.343 -3.047 10.289 1.00 21.23 O ATOM 165 CB GLU A 12 -4.390 -4.309 10.244 1.00 31.52 C ATOM 166 CG GLU A 12 -4.905 -4.271 8.815 1.00 22.31 C ATOM 167 CD GLU A 12 -6.191 -5.055 8.637 1.00 1.41 C ATOM 168 OE1 GLU A 12 -7.124 -4.855 9.442 1.00 11.03 O ATOM 169 OE2 GLU A 12 -6.264 -5.867 7.692 1.00 63.34 O ATOM 0 H GLU A 12 -5.410 -2.046 9.921 1.00 13.34 H new ATOM 0 HA GLU A 12 -3.420 -3.101 11.733 1.00 43.24 H new ATOM 0 HB2 GLU A 12 -3.681 -5.131 10.344 1.00 31.52 H new ATOM 0 HB3 GLU A 12 -5.222 -4.522 10.915 1.00 31.52 H new ATOM 0 HG2 GLU A 12 -5.072 -3.235 8.520 1.00 22.31 H new ATOM 0 HG3 GLU A 12 -4.143 -4.674 8.147 1.00 22.31 H new ATOM 176 N LYS A 13 -2.652 -2.246 8.644 1.00 24.43 N ATOM 177 CA LYS A 13 -1.538 -1.964 7.746 1.00 74.43 C ATOM 178 C LYS A 13 -1.181 -0.482 7.771 1.00 3.21 C ATOM 179 O LYS A 13 -0.209 -0.057 7.146 1.00 31.45 O ATOM 180 CB LYS A 13 -1.888 -2.391 6.318 1.00 22.22 C ATOM 181 CG LYS A 13 -2.893 -1.477 5.639 1.00 72.40 C ATOM 182 CD LYS A 13 -2.213 -0.514 4.681 1.00 3.33 C ATOM 183 CE LYS A 13 -1.569 -1.248 3.515 1.00 22.24 C ATOM 184 NZ LYS A 13 -0.089 -1.326 3.659 1.00 64.44 N ATOM 0 H LYS A 13 -3.569 -2.010 8.265 1.00 24.43 H new ATOM 0 HA LYS A 13 -0.674 -2.533 8.088 1.00 74.43 H new ATOM 0 HB2 LYS A 13 -0.976 -2.420 5.722 1.00 22.22 H new ATOM 0 HB3 LYS A 13 -2.288 -3.405 6.339 1.00 22.22 H new ATOM 0 HG2 LYS A 13 -3.623 -2.077 5.096 1.00 72.40 H new ATOM 0 HG3 LYS A 13 -3.442 -0.914 6.394 1.00 72.40 H new ATOM 0 HD2 LYS A 13 -2.944 0.201 4.303 1.00 3.33 H new ATOM 0 HD3 LYS A 13 -1.455 0.058 5.216 1.00 3.33 H new ATOM 0 HE2 LYS A 13 -1.981 -2.255 3.447 1.00 22.24 H new ATOM 0 HE3 LYS A 13 -1.817 -0.739 2.584 1.00 22.24 H new ATOM 0 HZ1 LYS A 13 0.361 -0.702 2.960 1.00 64.44 H new ATOM 0 HZ2 LYS A 13 0.183 -1.026 4.617 1.00 64.44 H new ATOM 0 HZ3 LYS A 13 0.224 -2.305 3.501 1.00 64.44 H new ATOM 198 N ALA A 14 -1.971 0.301 8.498 1.00 34.44 N ATOM 199 CA ALA A 14 -1.735 1.735 8.608 1.00 74.21 C ATOM 200 C ALA A 14 -0.532 2.027 9.498 1.00 32.10 C ATOM 201 O ALA A 14 0.046 3.113 9.441 1.00 34.44 O ATOM 202 CB ALA A 14 -2.975 2.434 9.146 1.00 21.03 C ATOM 0 H ALA A 14 -2.781 -0.034 9.020 1.00 34.44 H new ATOM 0 HA ALA A 14 -1.518 2.120 7.612 1.00 74.21 H new ATOM 0 HB1 ALA A 14 -2.785 3.504 9.223 1.00 21.03 H new ATOM 0 HB2 ALA A 14 -3.812 2.262 8.469 1.00 21.03 H new ATOM 0 HB3 ALA A 14 -3.218 2.037 10.132 1.00 21.03 H new ATOM 208 N PHE A 15 -0.160 1.052 10.320 1.00 22.43 N ATOM 209 CA PHE A 15 0.974 1.205 11.224 1.00 1.13 C ATOM 210 C PHE A 15 2.036 0.144 10.950 1.00 72.10 C ATOM 211 O PHE A 15 1.727 -1.041 10.826 1.00 64.52 O ATOM 212 CB PHE A 15 0.510 1.114 12.679 1.00 33.23 C ATOM 213 CG PHE A 15 -0.769 1.855 12.948 1.00 5.41 C ATOM 214 CD1 PHE A 15 -0.892 3.194 12.612 1.00 34.20 C ATOM 215 CD2 PHE A 15 -1.846 1.214 13.538 1.00 51.04 C ATOM 216 CE1 PHE A 15 -2.067 3.879 12.858 1.00 53.13 C ATOM 217 CE2 PHE A 15 -3.024 1.894 13.785 1.00 24.02 C ATOM 218 CZ PHE A 15 -3.134 3.228 13.446 1.00 0.41 C ATOM 0 H PHE A 15 -0.627 0.147 10.379 1.00 22.43 H new ATOM 0 HA PHE A 15 1.414 2.187 11.051 1.00 1.13 H new ATOM 0 HB2 PHE A 15 0.376 0.065 12.944 1.00 33.23 H new ATOM 0 HB3 PHE A 15 1.293 1.509 13.327 1.00 33.23 H new ATOM 0 HD1 PHE A 15 -0.060 3.708 12.153 1.00 34.20 H new ATOM 0 HD2 PHE A 15 -1.764 0.171 13.808 1.00 51.04 H new ATOM 0 HE1 PHE A 15 -2.151 4.922 12.591 1.00 53.13 H new ATOM 0 HE2 PHE A 15 -3.858 1.382 14.243 1.00 24.02 H new ATOM 0 HZ PHE A 15 -4.053 3.762 13.640 1.00 0.41 H new ATOM 228 N VAL A 16 3.288 0.579 10.856 1.00 63.11 N ATOM 229 CA VAL A 16 4.397 -0.332 10.597 1.00 73.21 C ATOM 230 C VAL A 16 5.387 -0.336 11.756 1.00 45.15 C ATOM 231 O VAL A 16 6.407 0.353 11.735 1.00 44.41 O ATOM 232 CB VAL A 16 5.140 0.043 9.301 1.00 23.41 C ATOM 233 CG1 VAL A 16 6.139 -1.042 8.926 1.00 52.34 C ATOM 234 CG2 VAL A 16 4.151 0.283 8.170 1.00 4.04 C ATOM 0 H VAL A 16 3.560 1.557 10.955 1.00 63.11 H new ATOM 0 HA VAL A 16 3.969 -1.328 10.486 1.00 73.21 H new ATOM 0 HB VAL A 16 5.691 0.968 9.473 1.00 23.41 H new ATOM 0 HG11 VAL A 16 6.655 -0.760 8.008 1.00 52.34 H new ATOM 0 HG12 VAL A 16 6.866 -1.160 9.729 1.00 52.34 H new ATOM 0 HG13 VAL A 16 5.612 -1.984 8.772 1.00 52.34 H new ATOM 0 HG21 VAL A 16 4.693 0.547 7.262 1.00 4.04 H new ATOM 0 HG22 VAL A 16 3.571 -0.623 7.996 1.00 4.04 H new ATOM 0 HG23 VAL A 16 3.479 1.097 8.441 1.00 4.04 H new ATOM 244 N PRO A 17 5.083 -1.131 12.792 1.00 51.10 N ATOM 245 CA PRO A 17 5.935 -1.245 13.980 1.00 52.35 C ATOM 246 C PRO A 17 7.246 -1.966 13.685 1.00 12.35 C ATOM 247 O PRO A 17 7.248 -3.080 13.163 1.00 53.55 O ATOM 248 CB PRO A 17 5.081 -2.063 14.952 1.00 51.25 C ATOM 249 CG PRO A 17 4.162 -2.848 14.080 1.00 3.03 C ATOM 250 CD PRO A 17 3.884 -1.980 12.884 1.00 34.42 C ATOM 0 HA PRO A 17 6.228 -0.269 14.367 1.00 52.35 H new ATOM 0 HB2 PRO A 17 5.698 -2.718 15.567 1.00 51.25 H new ATOM 0 HB3 PRO A 17 4.526 -1.417 15.632 1.00 51.25 H new ATOM 0 HG2 PRO A 17 4.619 -3.791 13.780 1.00 3.03 H new ATOM 0 HG3 PRO A 17 3.240 -3.094 14.606 1.00 3.03 H new ATOM 0 HD2 PRO A 17 3.742 -2.574 11.981 1.00 34.42 H new ATOM 0 HD3 PRO A 17 2.980 -1.386 13.020 1.00 34.42 H new ATOM 258 N GLU A 18 8.359 -1.323 14.026 1.00 53.04 N ATOM 259 CA GLU A 18 9.676 -1.905 13.797 1.00 42.51 C ATOM 260 C GLU A 18 10.554 -1.767 15.037 1.00 22.45 C ATOM 261 O GLU A 18 10.773 -0.663 15.538 1.00 23.51 O ATOM 262 CB GLU A 18 10.355 -1.232 12.602 1.00 54.03 C ATOM 263 CG GLU A 18 11.686 -1.860 12.225 1.00 1.41 C ATOM 264 CD GLU A 18 12.788 -0.832 12.056 1.00 24.02 C ATOM 265 OE1 GLU A 18 12.881 0.084 12.900 1.00 55.25 O ATOM 266 OE2 GLU A 18 13.559 -0.945 11.080 1.00 2.10 O ATOM 0 H GLU A 18 8.375 -0.401 14.461 1.00 53.04 H new ATOM 0 HA GLU A 18 9.544 -2.965 13.581 1.00 42.51 H new ATOM 0 HB2 GLU A 18 9.686 -1.276 11.743 1.00 54.03 H new ATOM 0 HB3 GLU A 18 10.512 -0.178 12.830 1.00 54.03 H new ATOM 0 HG2 GLU A 18 11.977 -2.576 12.994 1.00 1.41 H new ATOM 0 HG3 GLU A 18 11.570 -2.419 11.296 1.00 1.41 H new ATOM 273 N LEU A 19 11.054 -2.896 15.529 1.00 53.11 N ATOM 274 CA LEU A 19 11.908 -2.903 16.712 1.00 72.44 C ATOM 275 C LEU A 19 13.369 -3.113 16.327 1.00 72.11 C ATOM 276 O LEU A 19 13.670 -3.739 15.311 1.00 33.32 O ATOM 277 CB LEU A 19 11.461 -4.000 17.680 1.00 2.24 C ATOM 278 CG LEU A 19 11.196 -3.557 19.120 1.00 41.54 C ATOM 279 CD1 LEU A 19 9.733 -3.763 19.481 1.00 25.51 C ATOM 280 CD2 LEU A 19 12.098 -4.312 20.085 1.00 50.30 C ATOM 0 H LEU A 19 10.883 -3.818 15.127 1.00 53.11 H new ATOM 0 HA LEU A 19 11.816 -1.934 17.203 1.00 72.44 H new ATOM 0 HB2 LEU A 19 10.551 -4.455 17.288 1.00 2.24 H new ATOM 0 HB3 LEU A 19 12.225 -4.777 17.695 1.00 2.24 H new ATOM 0 HG LEU A 19 11.422 -2.494 19.200 1.00 41.54 H new ATOM 0 HD11 LEU A 19 9.563 -3.442 20.509 1.00 25.51 H new ATOM 0 HD12 LEU A 19 9.106 -3.176 18.810 1.00 25.51 H new ATOM 0 HD13 LEU A 19 9.479 -4.819 19.384 1.00 25.51 H new ATOM 0 HD21 LEU A 19 11.896 -3.984 21.105 1.00 50.30 H new ATOM 0 HD22 LEU A 19 11.904 -5.382 20.003 1.00 50.30 H new ATOM 0 HD23 LEU A 19 13.141 -4.112 19.840 1.00 50.30 H new ATOM 292 N ALA A 20 14.273 -2.587 17.147 1.00 54.32 N ATOM 293 CA ALA A 20 15.702 -2.720 16.895 1.00 41.13 C ATOM 294 C ALA A 20 16.488 -2.770 18.201 1.00 54.31 C ATOM 295 O ALA A 20 16.680 -1.748 18.861 1.00 71.43 O ATOM 296 CB ALA A 20 16.194 -1.573 16.024 1.00 13.35 C ATOM 0 H ALA A 20 14.041 -2.065 17.992 1.00 54.32 H new ATOM 0 HA ALA A 20 15.866 -3.659 16.367 1.00 41.13 H new ATOM 0 HB1 ALA A 20 17.263 -1.685 15.844 1.00 13.35 H new ATOM 0 HB2 ALA A 20 15.663 -1.585 15.072 1.00 13.35 H new ATOM 0 HB3 ALA A 20 16.009 -0.626 16.531 1.00 13.35 H new ATOM 302 N VAL A 21 16.939 -3.964 18.569 1.00 30.54 N ATOM 303 CA VAL A 21 17.704 -4.147 19.797 1.00 62.31 C ATOM 304 C VAL A 21 19.103 -3.555 19.666 1.00 71.00 C ATOM 305 O VAL A 21 19.759 -3.709 18.637 1.00 64.24 O ATOM 306 CB VAL A 21 17.822 -5.638 20.168 1.00 44.51 C ATOM 307 CG1 VAL A 21 18.840 -5.832 21.282 1.00 14.50 C ATOM 308 CG2 VAL A 21 16.465 -6.195 20.571 1.00 65.13 C ATOM 0 H VAL A 21 16.788 -4.820 18.035 1.00 30.54 H new ATOM 0 HA VAL A 21 17.164 -3.625 20.587 1.00 62.31 H new ATOM 0 HB VAL A 21 18.169 -6.187 19.292 1.00 44.51 H new ATOM 0 HG11 VAL A 21 18.910 -6.891 21.531 1.00 14.50 H new ATOM 0 HG12 VAL A 21 19.814 -5.472 20.951 1.00 14.50 H new ATOM 0 HG13 VAL A 21 18.526 -5.272 22.163 1.00 14.50 H new ATOM 0 HG21 VAL A 21 16.567 -7.249 20.830 1.00 65.13 H new ATOM 0 HG22 VAL A 21 16.087 -5.645 21.433 1.00 65.13 H new ATOM 0 HG23 VAL A 21 15.768 -6.091 19.740 1.00 65.13 H new ATOM 318 N ALA A 22 19.553 -2.877 20.717 1.00 41.14 N ATOM 319 CA ALA A 22 20.875 -2.263 20.720 1.00 22.43 C ATOM 320 C ALA A 22 21.694 -2.732 21.918 1.00 4.21 C ATOM 321 O ALA A 22 21.242 -3.564 22.705 1.00 52.23 O ATOM 322 CB ALA A 22 20.753 -0.747 20.722 1.00 3.25 C ATOM 0 H ALA A 22 19.022 -2.739 21.577 1.00 41.14 H new ATOM 0 HA ALA A 22 21.395 -2.573 19.813 1.00 22.43 H new ATOM 0 HB1 ALA A 22 21.748 -0.302 20.724 1.00 3.25 H new ATOM 0 HB2 ALA A 22 20.213 -0.424 19.832 1.00 3.25 H new ATOM 0 HB3 ALA A 22 20.210 -0.427 21.611 1.00 3.25 H new ATOM 328 N ASP A 23 22.902 -2.193 22.050 1.00 34.33 N ATOM 329 CA ASP A 23 23.784 -2.556 23.153 1.00 21.21 C ATOM 330 C ASP A 23 23.577 -1.626 24.344 1.00 53.41 C ATOM 331 O ASP A 23 23.960 -1.946 25.469 1.00 22.10 O ATOM 332 CB ASP A 23 25.245 -2.510 22.702 1.00 52.51 C ATOM 333 CG ASP A 23 26.111 -3.510 23.441 1.00 4.14 C ATOM 334 OD1 ASP A 23 26.030 -4.715 23.124 1.00 71.13 O ATOM 335 OD2 ASP A 23 26.872 -3.087 24.337 1.00 33.52 O ATOM 0 H ASP A 23 23.292 -1.504 21.407 1.00 34.33 H new ATOM 0 HA ASP A 23 23.539 -3.572 23.462 1.00 21.21 H new ATOM 0 HB2 ASP A 23 25.298 -2.709 21.632 1.00 52.51 H new ATOM 0 HB3 ASP A 23 25.639 -1.506 22.860 1.00 52.51 H new ATOM 340 N ASP A 24 22.969 -0.472 24.088 1.00 31.40 N ATOM 341 CA ASP A 24 22.710 0.505 25.139 1.00 43.33 C ATOM 342 C ASP A 24 21.211 0.683 25.359 1.00 63.21 C ATOM 343 O ASP A 24 20.779 1.617 26.033 1.00 31.51 O ATOM 344 CB ASP A 24 23.349 1.849 24.783 1.00 32.21 C ATOM 345 CG ASP A 24 24.627 2.105 25.557 1.00 43.15 C ATOM 346 OD1 ASP A 24 25.526 1.238 25.522 1.00 12.23 O ATOM 347 OD2 ASP A 24 24.730 3.173 26.195 1.00 33.14 O ATOM 0 H ASP A 24 22.647 -0.191 23.162 1.00 31.40 H new ATOM 0 HA ASP A 24 23.153 0.134 26.063 1.00 43.33 H new ATOM 0 HB2 ASP A 24 23.563 1.875 23.715 1.00 32.21 H new ATOM 0 HB3 ASP A 24 22.639 2.651 24.985 1.00 32.21 H new ATOM 352 N GLY A 25 20.423 -0.220 24.784 1.00 74.21 N ATOM 353 CA GLY A 25 18.980 -0.145 24.928 1.00 45.20 C ATOM 354 C GLY A 25 18.248 -0.655 23.703 1.00 31.20 C ATOM 355 O GLY A 25 18.846 -1.285 22.831 1.00 71.15 O ATOM 0 H GLY A 25 20.757 -1.002 24.221 1.00 74.21 H new ATOM 0 HA2 GLY A 25 18.674 -0.726 25.798 1.00 45.20 H new ATOM 0 HA3 GLY A 25 18.690 0.889 25.117 1.00 45.20 H new ATOM 359 N VAL A 26 16.948 -0.385 23.637 1.00 1.32 N ATOM 360 CA VAL A 26 16.132 -0.821 22.510 1.00 25.33 C ATOM 361 C VAL A 26 15.524 0.370 21.778 1.00 22.42 C ATOM 362 O VAL A 26 15.330 1.436 22.360 1.00 20.33 O ATOM 363 CB VAL A 26 15.001 -1.761 22.967 1.00 22.52 C ATOM 364 CG1 VAL A 26 14.326 -2.407 21.767 1.00 55.21 C ATOM 365 CG2 VAL A 26 15.540 -2.819 23.919 1.00 72.23 C ATOM 0 H VAL A 26 16.437 0.134 24.351 1.00 1.32 H new ATOM 0 HA VAL A 26 16.792 -1.362 21.832 1.00 25.33 H new ATOM 0 HB VAL A 26 14.255 -1.171 23.500 1.00 22.52 H new ATOM 0 HG11 VAL A 26 13.530 -3.068 22.110 1.00 55.21 H new ATOM 0 HG12 VAL A 26 13.905 -1.633 21.126 1.00 55.21 H new ATOM 0 HG13 VAL A 26 15.059 -2.984 21.204 1.00 55.21 H new ATOM 0 HG21 VAL A 26 14.727 -3.475 24.232 1.00 72.23 H new ATOM 0 HG22 VAL A 26 16.306 -3.407 23.414 1.00 72.23 H new ATOM 0 HG23 VAL A 26 15.973 -2.334 24.794 1.00 72.23 H new ATOM 375 N ASN A 27 15.225 0.180 20.497 1.00 32.32 N ATOM 376 CA ASN A 27 14.638 1.239 19.684 1.00 21.23 C ATOM 377 C ASN A 27 13.431 0.723 18.908 1.00 74.24 C ATOM 378 O ASN A 27 13.565 -0.112 18.013 1.00 52.24 O ATOM 379 CB ASN A 27 15.679 1.802 18.715 1.00 42.40 C ATOM 380 CG ASN A 27 16.801 2.530 19.430 1.00 11.23 C ATOM 381 OD1 ASN A 27 16.680 3.710 19.759 1.00 14.41 O ATOM 382 ND2 ASN A 27 17.901 1.827 19.674 1.00 11.44 N ATOM 0 H ASN A 27 15.379 -0.697 20.000 1.00 32.32 H new ATOM 0 HA ASN A 27 14.305 2.034 20.352 1.00 21.23 H new ATOM 0 HB2 ASN A 27 16.097 0.988 18.122 1.00 42.40 H new ATOM 0 HB3 ASN A 27 15.192 2.485 18.019 1.00 42.40 H new ATOM 0 HD21 ASN A 27 18.689 2.263 20.152 1.00 11.44 H new ATOM 0 HD22 ASN A 27 17.957 0.851 19.383 1.00 11.44 H new ATOM 389 N VAL A 28 12.251 1.226 19.256 1.00 34.01 N ATOM 390 CA VAL A 28 11.019 0.818 18.591 1.00 31.21 C ATOM 391 C VAL A 28 10.404 1.976 17.814 1.00 12.42 C ATOM 392 O VAL A 28 9.949 2.958 18.401 1.00 55.20 O ATOM 393 CB VAL A 28 9.985 0.285 19.602 1.00 44.55 C ATOM 394 CG1 VAL A 28 9.032 -0.689 18.927 1.00 11.00 C ATOM 395 CG2 VAL A 28 10.685 -0.371 20.782 1.00 14.13 C ATOM 0 H VAL A 28 12.122 1.917 19.995 1.00 34.01 H new ATOM 0 HA VAL A 28 11.283 0.019 17.898 1.00 31.21 H new ATOM 0 HB VAL A 28 9.401 1.125 19.977 1.00 44.55 H new ATOM 0 HG11 VAL A 28 8.309 -1.055 19.656 1.00 11.00 H new ATOM 0 HG12 VAL A 28 8.506 -0.182 18.118 1.00 11.00 H new ATOM 0 HG13 VAL A 28 9.597 -1.529 18.523 1.00 11.00 H new ATOM 0 HG21 VAL A 28 9.940 -0.742 21.486 1.00 14.13 H new ATOM 0 HG22 VAL A 28 11.295 -1.202 20.427 1.00 14.13 H new ATOM 0 HG23 VAL A 28 11.322 0.360 21.279 1.00 14.13 H new ATOM 405 N ARG A 29 10.393 1.855 16.491 1.00 64.22 N ATOM 406 CA ARG A 29 9.834 2.892 15.633 1.00 43.43 C ATOM 407 C ARG A 29 8.679 2.345 14.800 1.00 62.15 C ATOM 408 O ARG A 29 8.832 1.357 14.080 1.00 1.35 O ATOM 409 CB ARG A 29 10.916 3.461 14.713 1.00 63.23 C ATOM 410 CG ARG A 29 10.397 4.499 13.731 1.00 24.20 C ATOM 411 CD ARG A 29 9.921 3.854 12.439 1.00 50.23 C ATOM 412 NE ARG A 29 10.835 4.113 11.329 1.00 74.50 N ATOM 413 CZ ARG A 29 10.920 5.282 10.704 1.00 32.32 C ATOM 414 NH1 ARG A 29 10.151 6.295 11.079 1.00 70.24 N ATOM 415 NH2 ARG A 29 11.776 5.439 9.703 1.00 40.22 N ATOM 0 H ARG A 29 10.765 1.048 15.990 1.00 64.22 H new ATOM 0 HA ARG A 29 9.453 3.689 16.271 1.00 43.43 H new ATOM 0 HB2 ARG A 29 11.700 3.910 15.323 1.00 63.23 H new ATOM 0 HB3 ARG A 29 11.374 2.644 14.156 1.00 63.23 H new ATOM 0 HG2 ARG A 29 9.576 5.054 14.186 1.00 24.20 H new ATOM 0 HG3 ARG A 29 11.185 5.219 13.511 1.00 24.20 H new ATOM 0 HD2 ARG A 29 9.824 2.778 12.585 1.00 50.23 H new ATOM 0 HD3 ARG A 29 8.930 4.232 12.188 1.00 50.23 H new ATOM 0 HE ARG A 29 11.441 3.354 11.017 1.00 74.50 H new ATOM 0 HH11 ARG A 29 9.492 6.178 11.849 1.00 70.24 H new ATOM 0 HH12 ARG A 29 10.218 7.192 10.598 1.00 70.24 H new ATOM 0 HH21 ARG A 29 12.369 4.662 9.413 1.00 40.22 H new ATOM 0 HH22 ARG A 29 11.841 6.337 9.223 1.00 40.22 H new ATOM 429 N PHE A 30 7.523 2.993 14.902 1.00 65.21 N ATOM 430 CA PHE A 30 6.342 2.570 14.159 1.00 13.23 C ATOM 431 C PHE A 30 5.893 3.657 13.187 1.00 12.32 C ATOM 432 O PHE A 30 5.624 4.790 13.587 1.00 10.21 O ATOM 433 CB PHE A 30 5.203 2.230 15.123 1.00 73.34 C ATOM 434 CG PHE A 30 5.532 2.507 16.562 1.00 54.03 C ATOM 435 CD1 PHE A 30 6.306 1.620 17.292 1.00 34.05 C ATOM 436 CD2 PHE A 30 5.067 3.655 17.183 1.00 23.25 C ATOM 437 CE1 PHE A 30 6.609 1.873 18.617 1.00 71.50 C ATOM 438 CE2 PHE A 30 5.368 3.913 18.508 1.00 72.13 C ATOM 439 CZ PHE A 30 6.141 3.021 19.225 1.00 34.10 C ATOM 0 H PHE A 30 7.379 3.813 15.492 1.00 65.21 H new ATOM 0 HA PHE A 30 6.603 1.680 13.586 1.00 13.23 H new ATOM 0 HB2 PHE A 30 4.319 2.803 14.844 1.00 73.34 H new ATOM 0 HB3 PHE A 30 4.948 1.176 15.013 1.00 73.34 H new ATOM 0 HD1 PHE A 30 6.677 0.721 16.821 1.00 34.05 H new ATOM 0 HD2 PHE A 30 4.463 4.356 16.626 1.00 23.25 H new ATOM 0 HE1 PHE A 30 7.212 1.173 19.176 1.00 71.50 H new ATOM 0 HE2 PHE A 30 4.999 4.811 18.981 1.00 72.13 H new ATOM 0 HZ PHE A 30 6.379 3.221 20.259 1.00 34.10 H new ATOM 449 N ARG A 31 5.815 3.304 11.908 1.00 32.34 N ATOM 450 CA ARG A 31 5.401 4.249 10.878 1.00 33.43 C ATOM 451 C ARG A 31 3.881 4.269 10.739 1.00 43.15 C ATOM 452 O ARG A 31 3.274 3.286 10.314 1.00 61.34 O ATOM 453 CB ARG A 31 6.042 3.887 9.537 1.00 1.53 C ATOM 454 CG ARG A 31 7.556 3.767 9.599 1.00 30.32 C ATOM 455 CD ARG A 31 8.214 4.372 8.369 1.00 72.21 C ATOM 456 NE ARG A 31 7.948 3.589 7.165 1.00 24.42 N ATOM 457 CZ ARG A 31 8.270 3.991 5.941 1.00 52.22 C ATOM 458 NH1 ARG A 31 8.866 5.162 5.759 1.00 33.42 N ATOM 459 NH2 ARG A 31 7.995 3.222 4.895 1.00 45.12 N ATOM 0 H ARG A 31 6.033 2.370 11.560 1.00 32.34 H new ATOM 0 HA ARG A 31 5.735 5.243 11.176 1.00 33.43 H new ATOM 0 HB2 ARG A 31 5.625 2.942 9.188 1.00 1.53 H new ATOM 0 HB3 ARG A 31 5.776 4.645 8.800 1.00 1.53 H new ATOM 0 HG2 ARG A 31 7.925 4.268 10.494 1.00 30.32 H new ATOM 0 HG3 ARG A 31 7.836 2.717 9.683 1.00 30.32 H new ATOM 0 HD2 ARG A 31 7.851 5.390 8.227 1.00 72.21 H new ATOM 0 HD3 ARG A 31 9.290 4.437 8.529 1.00 72.21 H new ATOM 0 HE ARG A 31 7.490 2.684 7.270 1.00 24.42 H new ATOM 0 HH11 ARG A 31 9.078 5.756 6.560 1.00 33.42 H new ATOM 0 HH12 ARG A 31 9.112 5.468 4.818 1.00 33.42 H new ATOM 0 HH21 ARG A 31 7.536 2.321 5.031 1.00 45.12 H new ATOM 0 HH22 ARG A 31 8.243 3.532 3.955 1.00 45.12 H new ATOM 473 N ILE A 32 3.274 5.395 11.099 1.00 23.31 N ATOM 474 CA ILE A 32 1.827 5.543 11.013 1.00 32.32 C ATOM 475 C ILE A 32 1.422 6.246 9.722 1.00 12.44 C ATOM 476 O ILE A 32 2.129 7.129 9.237 1.00 75.24 O ATOM 477 CB ILE A 32 1.270 6.333 12.212 1.00 34.10 C ATOM 478 CG1 ILE A 32 1.554 5.588 13.518 1.00 10.31 C ATOM 479 CG2 ILE A 32 -0.224 6.567 12.044 1.00 72.01 C ATOM 480 CD1 ILE A 32 2.202 6.452 14.577 1.00 25.12 C ATOM 0 H ILE A 32 3.762 6.218 11.453 1.00 23.31 H new ATOM 0 HA ILE A 32 1.406 4.538 11.024 1.00 32.32 H new ATOM 0 HB ILE A 32 1.768 7.302 12.253 1.00 34.10 H new ATOM 0 HG12 ILE A 32 0.619 5.188 13.909 1.00 10.31 H new ATOM 0 HG13 ILE A 32 2.202 4.737 13.308 1.00 10.31 H new ATOM 0 HG21 ILE A 32 -0.603 7.126 12.899 1.00 72.01 H new ATOM 0 HG22 ILE A 32 -0.403 7.135 11.131 1.00 72.01 H new ATOM 0 HG23 ILE A 32 -0.738 5.608 11.981 1.00 72.01 H new ATOM 0 HD11 ILE A 32 2.374 5.859 15.475 1.00 25.12 H new ATOM 0 HD12 ILE A 32 3.154 6.832 14.205 1.00 25.12 H new ATOM 0 HD13 ILE A 32 1.546 7.289 14.815 1.00 25.12 H new ATOM 492 N ALA A 33 0.278 5.850 9.173 1.00 43.51 N ATOM 493 CA ALA A 33 -0.223 6.446 7.941 1.00 73.35 C ATOM 494 C ALA A 33 -0.552 7.922 8.138 1.00 71.41 C ATOM 495 O ALA A 33 -0.990 8.331 9.213 1.00 53.40 O ATOM 496 CB ALA A 33 -1.450 5.691 7.451 1.00 71.41 C ATOM 0 H ALA A 33 -0.319 5.120 9.562 1.00 43.51 H new ATOM 0 HA ALA A 33 0.561 6.373 7.187 1.00 73.35 H new ATOM 0 HB1 ALA A 33 -1.814 6.147 6.530 1.00 71.41 H new ATOM 0 HB2 ALA A 33 -1.185 4.651 7.261 1.00 71.41 H new ATOM 0 HB3 ALA A 33 -2.231 5.734 8.210 1.00 71.41 H new ATOM 502 N ASP A 34 -0.337 8.715 7.095 1.00 53.35 N ATOM 503 CA ASP A 34 -0.611 10.146 7.153 1.00 14.43 C ATOM 504 C ASP A 34 -2.068 10.406 7.524 1.00 73.04 C ATOM 505 O ASP A 34 -2.413 11.481 8.013 1.00 70.20 O ATOM 506 CB ASP A 34 -0.288 10.805 5.811 1.00 33.21 C ATOM 507 CG ASP A 34 0.495 12.093 5.972 1.00 63.43 C ATOM 508 OD1 ASP A 34 1.658 12.028 6.424 1.00 33.14 O ATOM 509 OD2 ASP A 34 -0.053 13.165 5.644 1.00 54.21 O ATOM 0 H ASP A 34 0.026 8.391 6.199 1.00 53.35 H new ATOM 0 HA ASP A 34 0.025 10.581 7.924 1.00 14.43 H new ATOM 0 HB2 ASP A 34 0.284 10.110 5.197 1.00 33.21 H new ATOM 0 HB3 ASP A 34 -1.216 11.012 5.278 1.00 33.21 H new ATOM 514 N GLY A 35 -2.920 9.413 7.285 1.00 13.33 N ATOM 515 CA GLY A 35 -4.330 9.555 7.598 1.00 33.45 C ATOM 516 C GLY A 35 -4.662 9.089 9.002 1.00 22.33 C ATOM 517 O GLY A 35 -5.832 8.931 9.352 1.00 40.35 O ATOM 0 H GLY A 35 -2.659 8.514 6.881 1.00 13.33 H new ATOM 0 HA2 GLY A 35 -4.620 10.600 7.487 1.00 33.45 H new ATOM 0 HA3 GLY A 35 -4.918 8.983 6.880 1.00 33.45 H new ATOM 521 N TYR A 36 -3.630 8.866 9.809 1.00 73.11 N ATOM 522 CA TYR A 36 -3.818 8.411 11.181 1.00 4.05 C ATOM 523 C TYR A 36 -2.857 9.125 12.128 1.00 54.01 C ATOM 524 O TYR A 36 -1.833 9.661 11.704 1.00 73.03 O ATOM 525 CB TYR A 36 -3.610 6.898 11.272 1.00 12.34 C ATOM 526 CG TYR A 36 -4.706 6.096 10.608 1.00 33.23 C ATOM 527 CD1 TYR A 36 -6.011 6.140 11.083 1.00 34.14 C ATOM 528 CD2 TYR A 36 -4.437 5.293 9.507 1.00 41.11 C ATOM 529 CE1 TYR A 36 -7.016 5.408 10.480 1.00 30.04 C ATOM 530 CE2 TYR A 36 -5.436 4.559 8.897 1.00 45.03 C ATOM 531 CZ TYR A 36 -6.723 4.620 9.387 1.00 32.52 C ATOM 532 OH TYR A 36 -7.720 3.889 8.783 1.00 35.31 O ATOM 0 H TYR A 36 -2.655 8.993 9.536 1.00 73.11 H new ATOM 0 HA TYR A 36 -4.839 8.650 11.479 1.00 4.05 H new ATOM 0 HB2 TYR A 36 -2.655 6.643 10.813 1.00 12.34 H new ATOM 0 HB3 TYR A 36 -3.546 6.611 12.322 1.00 12.34 H new ATOM 0 HD1 TYR A 36 -6.244 6.757 11.938 1.00 34.14 H new ATOM 0 HD2 TYR A 36 -3.430 5.242 9.121 1.00 41.11 H new ATOM 0 HE1 TYR A 36 -8.025 5.453 10.863 1.00 30.04 H new ATOM 0 HE2 TYR A 36 -5.210 3.941 8.041 1.00 45.03 H new ATOM 0 HH TYR A 36 -7.333 3.092 8.363 1.00 35.31 H new ATOM 542 N TYR A 37 -3.196 9.127 13.412 1.00 1.34 N ATOM 543 CA TYR A 37 -2.366 9.776 14.420 1.00 11.44 C ATOM 544 C TYR A 37 -2.602 9.163 15.797 1.00 24.03 C ATOM 545 O TYR A 37 -3.741 8.922 16.195 1.00 70.12 O ATOM 546 CB TYR A 37 -2.658 11.277 14.462 1.00 43.42 C ATOM 547 CG TYR A 37 -4.072 11.608 14.883 1.00 43.12 C ATOM 548 CD1 TYR A 37 -4.405 11.740 16.225 1.00 5.54 C ATOM 549 CD2 TYR A 37 -5.075 11.787 13.939 1.00 41.44 C ATOM 550 CE1 TYR A 37 -5.695 12.042 16.615 1.00 72.10 C ATOM 551 CE2 TYR A 37 -6.368 12.090 14.319 1.00 41.41 C ATOM 552 CZ TYR A 37 -6.673 12.216 15.658 1.00 11.51 C ATOM 553 OH TYR A 37 -7.960 12.517 16.041 1.00 33.11 O ATOM 0 H TYR A 37 -4.039 8.687 13.780 1.00 1.34 H new ATOM 0 HA TYR A 37 -1.322 9.623 14.147 1.00 11.44 H new ATOM 0 HB2 TYR A 37 -1.962 11.755 15.151 1.00 43.42 H new ATOM 0 HB3 TYR A 37 -2.473 11.702 13.476 1.00 43.42 H new ATOM 0 HD1 TYR A 37 -3.642 11.604 16.977 1.00 5.54 H new ATOM 0 HD2 TYR A 37 -4.840 11.688 12.890 1.00 41.44 H new ATOM 0 HE1 TYR A 37 -5.937 12.141 17.663 1.00 72.10 H new ATOM 0 HE2 TYR A 37 -7.136 12.227 13.572 1.00 41.41 H new ATOM 0 HH TYR A 37 -8.391 13.056 15.345 1.00 33.11 H new ATOM 563 N MET A 38 -1.515 8.914 16.521 1.00 62.25 N ATOM 564 CA MET A 38 -1.602 8.330 17.854 1.00 10.42 C ATOM 565 C MET A 38 -1.147 9.328 18.915 1.00 61.33 C ATOM 566 O MET A 38 -0.226 10.112 18.688 1.00 45.41 O ATOM 567 CB MET A 38 -0.754 7.060 17.935 1.00 63.23 C ATOM 568 CG MET A 38 -1.518 5.795 17.578 1.00 41.23 C ATOM 569 SD MET A 38 -1.411 5.391 15.824 1.00 71.03 S ATOM 570 CE MET A 38 -0.588 3.802 15.892 1.00 31.41 C ATOM 0 H MET A 38 -0.564 9.108 16.207 1.00 62.25 H new ATOM 0 HA MET A 38 -2.644 8.074 18.044 1.00 10.42 H new ATOM 0 HB2 MET A 38 0.100 7.160 17.265 1.00 63.23 H new ATOM 0 HB3 MET A 38 -0.357 6.962 18.945 1.00 63.23 H new ATOM 0 HG2 MET A 38 -1.128 4.962 18.163 1.00 41.23 H new ATOM 0 HG3 MET A 38 -2.565 5.917 17.856 1.00 41.23 H new ATOM 0 HE1 MET A 38 -0.032 3.640 14.968 1.00 31.41 H new ATOM 0 HE2 MET A 38 0.100 3.784 16.737 1.00 31.41 H new ATOM 0 HE3 MET A 38 -1.330 3.013 16.012 1.00 31.41 H new ATOM 580 N TYR A 39 -1.798 9.292 20.072 1.00 41.10 N ATOM 581 CA TYR A 39 -1.461 10.195 21.166 1.00 35.14 C ATOM 582 C TYR A 39 -0.275 9.664 21.966 1.00 74.24 C ATOM 583 O TYR A 39 -0.207 8.476 22.279 1.00 61.33 O ATOM 584 CB TYR A 39 -2.668 10.385 22.088 1.00 65.12 C ATOM 585 CG TYR A 39 -3.976 10.549 21.347 1.00 25.41 C ATOM 586 CD1 TYR A 39 -4.391 11.796 20.898 1.00 61.13 C ATOM 587 CD2 TYR A 39 -4.796 9.455 21.096 1.00 44.31 C ATOM 588 CE1 TYR A 39 -5.586 11.950 20.221 1.00 25.04 C ATOM 589 CE2 TYR A 39 -5.991 9.600 20.419 1.00 72.21 C ATOM 590 CZ TYR A 39 -6.382 10.849 19.984 1.00 0.12 C ATOM 591 OH TYR A 39 -7.572 10.998 19.310 1.00 40.24 O ATOM 0 H TYR A 39 -2.562 8.648 20.277 1.00 41.10 H new ATOM 0 HA TYR A 39 -1.184 11.158 20.736 1.00 35.14 H new ATOM 0 HB2 TYR A 39 -2.743 9.527 22.756 1.00 65.12 H new ATOM 0 HB3 TYR A 39 -2.502 11.262 22.714 1.00 65.12 H new ATOM 0 HD1 TYR A 39 -3.769 12.660 21.081 1.00 61.13 H new ATOM 0 HD2 TYR A 39 -4.494 8.476 21.436 1.00 44.31 H new ATOM 0 HE1 TYR A 39 -5.895 12.927 19.880 1.00 25.04 H new ATOM 0 HE2 TYR A 39 -6.616 8.740 20.231 1.00 72.21 H new ATOM 0 HH TYR A 39 -8.011 10.126 19.225 1.00 40.24 H new ATOM 601 N GLN A 40 0.656 10.554 22.292 1.00 12.24 N ATOM 602 CA GLN A 40 1.839 10.176 23.055 1.00 25.11 C ATOM 603 C GLN A 40 1.454 9.399 24.309 1.00 35.24 C ATOM 604 O GLN A 40 2.122 8.436 24.685 1.00 1.43 O ATOM 605 CB GLN A 40 2.644 11.419 23.438 1.00 11.25 C ATOM 606 CG GLN A 40 3.928 11.105 24.190 1.00 15.50 C ATOM 607 CD GLN A 40 4.026 11.844 25.510 1.00 20.34 C ATOM 608 OE1 GLN A 40 4.672 12.888 25.604 1.00 32.14 O ATOM 609 NE2 GLN A 40 3.384 11.304 26.540 1.00 22.00 N ATOM 0 H GLN A 40 0.614 11.541 22.040 1.00 12.24 H new ATOM 0 HA GLN A 40 2.454 9.533 22.426 1.00 25.11 H new ATOM 0 HB2 GLN A 40 2.889 11.976 22.534 1.00 11.25 H new ATOM 0 HB3 GLN A 40 2.022 12.069 24.053 1.00 11.25 H new ATOM 0 HG2 GLN A 40 3.984 10.032 24.374 1.00 15.50 H new ATOM 0 HG3 GLN A 40 4.783 11.367 23.567 1.00 15.50 H new ATOM 0 HE21 GLN A 40 2.860 10.437 26.417 1.00 22.00 H new ATOM 0 HE22 GLN A 40 3.415 11.756 27.454 1.00 22.00 H new ATOM 618 N ALA A 41 0.371 9.823 24.953 1.00 41.51 N ATOM 619 CA ALA A 41 -0.105 9.166 26.164 1.00 44.40 C ATOM 620 C ALA A 41 -0.712 7.804 25.847 1.00 0.11 C ATOM 621 O ALA A 41 -0.654 6.882 26.661 1.00 13.21 O ATOM 622 CB ALA A 41 -1.120 10.046 26.878 1.00 53.34 C ATOM 0 H ALA A 41 -0.193 10.619 24.656 1.00 41.51 H new ATOM 0 HA ALA A 41 0.749 9.009 26.822 1.00 44.40 H new ATOM 0 HB1 ALA A 41 -1.467 9.543 27.780 1.00 53.34 H new ATOM 0 HB2 ALA A 41 -0.654 10.994 27.147 1.00 53.34 H new ATOM 0 HB3 ALA A 41 -1.967 10.233 26.218 1.00 53.34 H new ATOM 628 N LYS A 42 -1.295 7.683 24.659 1.00 12.43 N ATOM 629 CA LYS A 42 -1.913 6.433 24.233 1.00 15.55 C ATOM 630 C LYS A 42 -0.855 5.413 23.829 1.00 64.13 C ATOM 631 O LYS A 42 -1.016 4.214 24.056 1.00 33.43 O ATOM 632 CB LYS A 42 -2.868 6.685 23.064 1.00 41.21 C ATOM 633 CG LYS A 42 -4.310 6.895 23.490 1.00 35.24 C ATOM 634 CD LYS A 42 -4.483 8.198 24.253 1.00 22.31 C ATOM 635 CE LYS A 42 -5.086 7.962 25.629 1.00 1.35 C ATOM 636 NZ LYS A 42 -4.037 7.788 26.672 1.00 31.12 N ATOM 0 H LYS A 42 -1.352 8.436 23.974 1.00 12.43 H new ATOM 0 HA LYS A 42 -2.477 6.030 25.074 1.00 15.55 H new ATOM 0 HB2 LYS A 42 -2.530 7.562 22.512 1.00 41.21 H new ATOM 0 HB3 LYS A 42 -2.820 5.839 22.378 1.00 41.21 H new ATOM 0 HG2 LYS A 42 -4.953 6.900 22.610 1.00 35.24 H new ATOM 0 HG3 LYS A 42 -4.631 6.061 24.115 1.00 35.24 H new ATOM 0 HD2 LYS A 42 -3.516 8.691 24.358 1.00 22.31 H new ATOM 0 HD3 LYS A 42 -5.124 8.872 23.684 1.00 22.31 H new ATOM 0 HE2 LYS A 42 -5.726 8.804 25.894 1.00 1.35 H new ATOM 0 HE3 LYS A 42 -5.720 7.076 25.600 1.00 1.35 H new ATOM 0 HZ1 LYS A 42 -4.434 8.016 27.606 1.00 31.12 H new ATOM 0 HZ2 LYS A 42 -3.705 6.803 26.669 1.00 31.12 H new ATOM 0 HZ3 LYS A 42 -3.239 8.423 26.471 1.00 31.12 H new ATOM 650 N ILE A 43 0.228 5.897 23.229 1.00 22.54 N ATOM 651 CA ILE A 43 1.314 5.026 22.796 1.00 10.00 C ATOM 652 C ILE A 43 2.130 4.531 23.985 1.00 11.15 C ATOM 653 O ILE A 43 2.735 5.322 24.709 1.00 11.13 O ATOM 654 CB ILE A 43 2.252 5.745 21.808 1.00 33.21 C ATOM 655 CG1 ILE A 43 1.469 6.221 20.583 1.00 52.41 C ATOM 656 CG2 ILE A 43 3.389 4.824 21.391 1.00 34.35 C ATOM 657 CD1 ILE A 43 1.875 7.597 20.104 1.00 45.32 C ATOM 0 H ILE A 43 0.376 6.887 23.032 1.00 22.54 H new ATOM 0 HA ILE A 43 0.854 4.174 22.295 1.00 10.00 H new ATOM 0 HB ILE A 43 2.680 6.616 22.304 1.00 33.21 H new ATOM 0 HG12 ILE A 43 1.610 5.507 19.772 1.00 52.41 H new ATOM 0 HG13 ILE A 43 0.405 6.227 20.822 1.00 52.41 H new ATOM 0 HG21 ILE A 43 4.043 5.346 20.693 1.00 34.35 H new ATOM 0 HG22 ILE A 43 3.960 4.529 22.271 1.00 34.35 H new ATOM 0 HG23 ILE A 43 2.980 3.936 20.909 1.00 34.35 H new ATOM 0 HD11 ILE A 43 1.279 7.870 19.233 1.00 45.32 H new ATOM 0 HD12 ILE A 43 1.708 8.323 20.900 1.00 45.32 H new ATOM 0 HD13 ILE A 43 2.931 7.591 19.834 1.00 45.32 H new ATOM 669 N VAL A 44 2.144 3.216 24.181 1.00 54.32 N ATOM 670 CA VAL A 44 2.888 2.615 25.281 1.00 72.53 C ATOM 671 C VAL A 44 3.992 1.701 24.762 1.00 63.42 C ATOM 672 O VAL A 44 3.819 1.006 23.762 1.00 74.44 O ATOM 673 CB VAL A 44 1.962 1.807 26.209 1.00 31.51 C ATOM 674 CG1 VAL A 44 2.683 1.442 27.498 1.00 44.23 C ATOM 675 CG2 VAL A 44 0.690 2.587 26.503 1.00 11.32 C ATOM 0 H VAL A 44 1.648 2.547 23.592 1.00 54.32 H new ATOM 0 HA VAL A 44 3.333 3.433 25.847 1.00 72.53 H new ATOM 0 HB VAL A 44 1.685 0.883 25.702 1.00 31.51 H new ATOM 0 HG11 VAL A 44 2.013 0.871 28.141 1.00 44.23 H new ATOM 0 HG12 VAL A 44 3.562 0.841 27.266 1.00 44.23 H new ATOM 0 HG13 VAL A 44 2.992 2.352 28.012 1.00 44.23 H new ATOM 0 HG21 VAL A 44 0.047 2.001 27.160 1.00 11.32 H new ATOM 0 HG22 VAL A 44 0.945 3.528 26.990 1.00 11.32 H new ATOM 0 HG23 VAL A 44 0.165 2.792 25.570 1.00 11.32 H new ATOM 685 N GLY A 45 5.130 1.706 25.450 1.00 40.51 N ATOM 686 CA GLY A 45 6.247 0.874 25.044 1.00 71.43 C ATOM 687 C GLY A 45 7.238 0.644 26.167 1.00 10.35 C ATOM 688 O GLY A 45 7.919 1.572 26.604 1.00 0.42 O ATOM 0 H GLY A 45 5.298 2.272 26.282 1.00 40.51 H new ATOM 0 HA2 GLY A 45 5.871 -0.087 24.693 1.00 71.43 H new ATOM 0 HA3 GLY A 45 6.758 1.343 24.203 1.00 71.43 H new ATOM 692 N LYS A 46 7.319 -0.595 26.639 1.00 30.20 N ATOM 693 CA LYS A 46 8.233 -0.945 27.719 1.00 24.14 C ATOM 694 C LYS A 46 8.856 -2.317 27.482 1.00 20.34 C ATOM 695 O LYS A 46 8.163 -3.274 27.136 1.00 75.31 O ATOM 696 CB LYS A 46 7.499 -0.932 29.062 1.00 55.23 C ATOM 697 CG LYS A 46 8.409 -1.161 30.256 1.00 72.22 C ATOM 698 CD LYS A 46 8.009 -2.406 31.030 1.00 5.14 C ATOM 699 CE LYS A 46 8.125 -3.657 30.173 1.00 51.11 C ATOM 700 NZ LYS A 46 7.857 -4.894 30.957 1.00 12.25 N ATOM 0 H LYS A 46 6.762 -1.375 26.290 1.00 30.20 H new ATOM 0 HA LYS A 46 9.030 -0.202 27.741 1.00 24.14 H new ATOM 0 HB2 LYS A 46 6.993 0.026 29.180 1.00 55.23 H new ATOM 0 HB3 LYS A 46 6.727 -1.701 29.052 1.00 55.23 H new ATOM 0 HG2 LYS A 46 9.440 -1.258 29.916 1.00 72.22 H new ATOM 0 HG3 LYS A 46 8.371 -0.294 30.915 1.00 72.22 H new ATOM 0 HD2 LYS A 46 8.643 -2.507 31.911 1.00 5.14 H new ATOM 0 HD3 LYS A 46 6.984 -2.301 31.385 1.00 5.14 H new ATOM 0 HE2 LYS A 46 7.422 -3.594 29.342 1.00 51.11 H new ATOM 0 HE3 LYS A 46 9.125 -3.710 29.742 1.00 51.11 H new ATOM 0 HZ1 LYS A 46 8.676 -5.532 30.890 1.00 12.25 H new ATOM 0 HZ2 LYS A 46 7.693 -4.645 31.953 1.00 12.25 H new ATOM 0 HZ3 LYS A 46 7.015 -5.371 30.576 1.00 12.25 H new ATOM 714 N THR A 47 10.169 -2.408 27.672 1.00 13.45 N ATOM 715 CA THR A 47 10.884 -3.662 27.480 1.00 64.43 C ATOM 716 C THR A 47 11.900 -3.893 28.593 1.00 43.42 C ATOM 717 O THR A 47 12.725 -3.027 28.881 1.00 25.03 O ATOM 718 CB THR A 47 11.612 -3.691 26.122 1.00 31.53 C ATOM 719 OG1 THR A 47 12.158 -4.994 25.887 1.00 4.01 O ATOM 720 CG2 THR A 47 12.724 -2.654 26.082 1.00 21.41 C ATOM 0 H THR A 47 10.758 -1.627 27.959 1.00 13.45 H new ATOM 0 HA THR A 47 10.139 -4.457 27.502 1.00 64.43 H new ATOM 0 HB THR A 47 10.889 -3.455 25.341 1.00 31.53 H new ATOM 0 HG1 THR A 47 13.136 -4.940 25.865 1.00 4.01 H new ATOM 0 HG21 THR A 47 13.223 -2.693 25.114 1.00 21.41 H new ATOM 0 HG22 THR A 47 12.301 -1.661 26.232 1.00 21.41 H new ATOM 0 HG23 THR A 47 13.446 -2.864 26.871 1.00 21.41 H new ATOM 728 N ASN A 48 11.834 -5.065 29.214 1.00 24.55 N ATOM 729 CA ASN A 48 12.750 -5.409 30.297 1.00 74.33 C ATOM 730 C ASN A 48 12.410 -6.777 30.882 1.00 4.21 C ATOM 731 O ASN A 48 11.301 -7.287 30.729 1.00 74.30 O ATOM 732 CB ASN A 48 12.697 -4.345 31.394 1.00 1.15 C ATOM 733 CG ASN A 48 11.305 -3.773 31.580 1.00 74.44 C ATOM 734 OD1 ASN A 48 10.968 -2.733 31.014 1.00 5.33 O ATOM 735 ND2 ASN A 48 10.487 -4.454 32.375 1.00 40.42 N ATOM 0 H ASN A 48 11.157 -5.793 28.987 1.00 24.55 H new ATOM 0 HA ASN A 48 13.760 -5.449 29.888 1.00 74.33 H new ATOM 0 HB2 ASN A 48 13.037 -4.780 32.334 1.00 1.15 H new ATOM 0 HB3 ASN A 48 13.388 -3.539 31.148 1.00 1.15 H new ATOM 0 HD21 ASN A 48 9.537 -4.119 32.537 1.00 40.42 H new ATOM 0 HD22 ASN A 48 10.809 -5.312 32.824 1.00 40.42 H new ATOM 742 N PRO A 49 13.388 -7.385 31.570 1.00 43.01 N ATOM 743 CA PRO A 49 13.217 -8.701 32.193 1.00 3.32 C ATOM 744 C PRO A 49 12.270 -8.658 33.388 1.00 42.45 C ATOM 745 O PRO A 49 11.567 -9.628 33.669 1.00 2.54 O ATOM 746 CB PRO A 49 14.633 -9.065 32.647 1.00 62.15 C ATOM 747 CG PRO A 49 15.322 -7.756 32.826 1.00 61.51 C ATOM 748 CD PRO A 49 14.736 -6.835 31.792 1.00 11.24 C ATOM 0 HA PRO A 49 12.776 -9.423 31.506 1.00 3.32 H new ATOM 0 HB2 PRO A 49 14.617 -9.634 33.577 1.00 62.15 H new ATOM 0 HB3 PRO A 49 15.141 -9.681 31.905 1.00 62.15 H new ATOM 0 HG2 PRO A 49 15.163 -7.366 33.831 1.00 61.51 H new ATOM 0 HG3 PRO A 49 16.399 -7.860 32.691 1.00 61.51 H new ATOM 0 HD2 PRO A 49 14.696 -5.805 32.147 1.00 11.24 H new ATOM 0 HD3 PRO A 49 15.325 -6.833 30.875 1.00 11.24 H new ATOM 756 N ALA A 50 12.257 -7.527 34.086 1.00 54.13 N ATOM 757 CA ALA A 50 11.394 -7.357 35.248 1.00 33.00 C ATOM 758 C ALA A 50 11.248 -5.884 35.613 1.00 1.41 C ATOM 759 O ALA A 50 10.163 -5.428 35.976 1.00 62.51 O ATOM 760 CB ALA A 50 11.940 -8.144 36.430 1.00 35.21 C ATOM 0 H ALA A 50 12.834 -6.715 33.867 1.00 54.13 H new ATOM 0 HA ALA A 50 10.406 -7.741 34.995 1.00 33.00 H new ATOM 0 HB1 ALA A 50 11.286 -8.008 37.291 1.00 35.21 H new ATOM 0 HB2 ALA A 50 11.986 -9.202 36.173 1.00 35.21 H new ATOM 0 HB3 ALA A 50 12.940 -7.786 36.674 1.00 35.21 H new ATOM 766 N ASP A 51 12.347 -5.144 35.516 1.00 52.55 N ATOM 767 CA ASP A 51 12.341 -3.721 35.835 1.00 2.33 C ATOM 768 C ASP A 51 13.740 -3.127 35.697 1.00 33.21 C ATOM 769 O ASP A 51 14.128 -2.242 36.461 1.00 65.15 O ATOM 770 CB ASP A 51 11.817 -3.497 37.255 1.00 71.34 C ATOM 771 CG ASP A 51 10.754 -2.418 37.316 1.00 73.31 C ATOM 772 OD1 ASP A 51 11.118 -1.224 37.283 1.00 71.55 O ATOM 773 OD2 ASP A 51 9.557 -2.768 37.398 1.00 3.30 O ATOM 0 H ASP A 51 13.253 -5.506 35.219 1.00 52.55 H new ATOM 0 HA ASP A 51 11.681 -3.218 35.128 1.00 2.33 H new ATOM 0 HB2 ASP A 51 11.405 -4.431 37.639 1.00 71.34 H new ATOM 0 HB3 ASP A 51 12.647 -3.223 37.906 1.00 71.34 H new ATOM 778 N LEU A 52 14.492 -3.620 34.720 1.00 60.34 N ATOM 779 CA LEU A 52 15.849 -3.140 34.481 1.00 14.44 C ATOM 780 C LEU A 52 15.837 -1.881 33.620 1.00 51.11 C ATOM 781 O LEU A 52 16.593 -0.940 33.866 1.00 62.23 O ATOM 782 CB LEU A 52 16.685 -4.227 33.804 1.00 34.12 C ATOM 783 CG LEU A 52 17.286 -5.285 34.730 1.00 63.01 C ATOM 784 CD1 LEU A 52 18.451 -4.705 35.517 1.00 64.41 C ATOM 785 CD2 LEU A 52 16.225 -5.835 35.672 1.00 62.22 C ATOM 0 H LEU A 52 14.185 -4.352 34.080 1.00 60.34 H new ATOM 0 HA LEU A 52 16.296 -2.895 35.445 1.00 14.44 H new ATOM 0 HB2 LEU A 52 16.061 -4.731 33.066 1.00 34.12 H new ATOM 0 HB3 LEU A 52 17.497 -3.746 33.259 1.00 34.12 H new ATOM 0 HG LEU A 52 17.660 -6.106 34.118 1.00 63.01 H new ATOM 0 HD11 LEU A 52 18.866 -5.472 36.171 1.00 64.41 H new ATOM 0 HD12 LEU A 52 19.221 -4.361 34.827 1.00 64.41 H new ATOM 0 HD13 LEU A 52 18.102 -3.866 36.119 1.00 64.41 H new ATOM 0 HD21 LEU A 52 16.671 -6.587 36.323 1.00 62.22 H new ATOM 0 HD22 LEU A 52 15.820 -5.024 36.278 1.00 62.22 H new ATOM 0 HD23 LEU A 52 15.422 -6.289 35.091 1.00 62.22 H new ATOM 797 N LEU A 53 14.973 -1.869 32.611 1.00 60.12 N ATOM 798 CA LEU A 53 14.861 -0.725 31.713 1.00 15.53 C ATOM 799 C LEU A 53 14.345 0.503 32.458 1.00 74.30 C ATOM 800 O LEU A 53 13.285 0.463 33.082 1.00 72.05 O ATOM 801 CB LEU A 53 13.929 -1.056 30.546 1.00 32.13 C ATOM 802 CG LEU A 53 13.491 0.125 29.680 1.00 3.50 C ATOM 803 CD1 LEU A 53 12.296 0.830 30.303 1.00 43.42 C ATOM 804 CD2 LEU A 53 14.644 1.099 29.484 1.00 25.11 C ATOM 0 H LEU A 53 14.340 -2.639 32.394 1.00 60.12 H new ATOM 0 HA LEU A 53 15.854 -0.501 31.324 1.00 15.53 H new ATOM 0 HB2 LEU A 53 14.426 -1.785 29.906 1.00 32.13 H new ATOM 0 HB3 LEU A 53 13.037 -1.538 30.945 1.00 32.13 H new ATOM 0 HG LEU A 53 13.193 -0.256 28.703 1.00 3.50 H new ATOM 0 HD11 LEU A 53 11.999 1.668 29.672 1.00 43.42 H new ATOM 0 HD12 LEU A 53 11.466 0.129 30.391 1.00 43.42 H new ATOM 0 HD13 LEU A 53 12.566 1.199 31.293 1.00 43.42 H new ATOM 0 HD21 LEU A 53 14.314 1.933 28.865 1.00 25.11 H new ATOM 0 HD22 LEU A 53 14.972 1.474 30.453 1.00 25.11 H new ATOM 0 HD23 LEU A 53 15.472 0.588 28.993 1.00 25.11 H new ATOM 816 N GLY A 54 15.101 1.594 32.386 1.00 22.22 N ATOM 817 CA GLY A 54 14.703 2.818 33.056 1.00 20.02 C ATOM 818 C GLY A 54 13.327 3.291 32.631 1.00 60.53 C ATOM 819 O GLY A 54 12.315 2.807 33.136 1.00 74.31 O ATOM 0 H GLY A 54 15.982 1.652 31.876 1.00 22.22 H new ATOM 0 HA2 GLY A 54 14.712 2.658 34.134 1.00 20.02 H new ATOM 0 HA3 GLY A 54 15.434 3.599 32.844 1.00 20.02 H new ATOM 823 N GLN A 55 13.290 4.239 31.700 1.00 3.25 N ATOM 824 CA GLN A 55 12.028 4.779 31.210 1.00 73.44 C ATOM 825 C GLN A 55 12.076 4.988 29.700 1.00 54.32 C ATOM 826 O GLN A 55 13.142 5.142 29.103 1.00 33.23 O ATOM 827 CB GLN A 55 11.707 6.100 31.910 1.00 34.01 C ATOM 828 CG GLN A 55 12.898 7.039 32.014 1.00 72.31 C ATOM 829 CD GLN A 55 12.497 8.451 32.392 1.00 32.10 C ATOM 830 OE1 GLN A 55 12.532 9.361 31.564 1.00 54.33 O ATOM 831 NE2 GLN A 55 12.113 8.641 33.649 1.00 54.02 N ATOM 0 H GLN A 55 14.119 4.649 31.270 1.00 3.25 H new ATOM 0 HA GLN A 55 11.242 4.058 31.434 1.00 73.44 H new ATOM 0 HB2 GLN A 55 10.905 6.602 31.369 1.00 34.01 H new ATOM 0 HB3 GLN A 55 11.333 5.889 32.912 1.00 34.01 H new ATOM 0 HG2 GLN A 55 13.596 6.653 32.756 1.00 72.31 H new ATOM 0 HG3 GLN A 55 13.425 7.058 31.060 1.00 72.31 H new ATOM 0 HE21 GLN A 55 12.099 7.858 34.302 1.00 54.02 H new ATOM 0 HE22 GLN A 55 11.832 9.570 33.961 1.00 54.02 H new ATOM 840 N PRO A 56 10.894 4.995 29.065 1.00 10.20 N ATOM 841 CA PRO A 56 10.775 5.185 27.616 1.00 13.54 C ATOM 842 C PRO A 56 11.124 6.607 27.188 1.00 70.53 C ATOM 843 O PRO A 56 10.874 7.565 27.919 1.00 62.30 O ATOM 844 CB PRO A 56 9.298 4.891 27.340 1.00 1.45 C ATOM 845 CG PRO A 56 8.607 5.181 28.628 1.00 21.21 C ATOM 846 CD PRO A 56 9.583 4.818 29.713 1.00 44.13 C ATOM 0 HA PRO A 56 11.462 4.545 27.063 1.00 13.54 H new ATOM 0 HB2 PRO A 56 8.913 5.517 26.535 1.00 1.45 H new ATOM 0 HB3 PRO A 56 9.151 3.855 27.036 1.00 1.45 H new ATOM 0 HG2 PRO A 56 8.326 6.232 28.692 1.00 21.21 H new ATOM 0 HG3 PRO A 56 7.689 4.600 28.718 1.00 21.21 H new ATOM 0 HD2 PRO A 56 9.475 5.464 30.584 1.00 44.13 H new ATOM 0 HD3 PRO A 56 9.439 3.794 30.057 1.00 44.13 H new ATOM 854 N SER A 57 11.702 6.736 25.998 1.00 25.40 N ATOM 855 CA SER A 57 12.089 8.040 25.473 1.00 1.15 C ATOM 856 C SER A 57 11.430 8.299 24.122 1.00 1.31 C ATOM 857 O SER A 57 12.001 8.002 23.073 1.00 44.23 O ATOM 858 CB SER A 57 13.610 8.128 25.337 1.00 24.11 C ATOM 859 OG SER A 57 14.184 8.795 26.448 1.00 64.21 O ATOM 0 H SER A 57 11.913 5.953 25.379 1.00 25.40 H new ATOM 0 HA SER A 57 11.750 8.802 26.175 1.00 1.15 H new ATOM 0 HB2 SER A 57 14.029 7.125 25.254 1.00 24.11 H new ATOM 0 HB3 SER A 57 13.866 8.657 24.419 1.00 24.11 H new ATOM 0 HG SER A 57 15.157 8.837 26.338 1.00 64.21 H new ATOM 865 N PHE A 58 10.224 8.856 24.156 1.00 33.53 N ATOM 866 CA PHE A 58 9.485 9.155 22.935 1.00 31.51 C ATOM 867 C PHE A 58 10.262 10.128 22.054 1.00 61.13 C ATOM 868 O PHE A 58 11.000 10.979 22.551 1.00 70.33 O ATOM 869 CB PHE A 58 8.113 9.740 23.274 1.00 13.34 C ATOM 870 CG PHE A 58 7.370 8.960 24.322 1.00 44.52 C ATOM 871 CD1 PHE A 58 7.497 7.583 24.398 1.00 22.22 C ATOM 872 CD2 PHE A 58 6.546 9.605 25.230 1.00 4.12 C ATOM 873 CE1 PHE A 58 6.815 6.863 25.360 1.00 34.05 C ATOM 874 CE2 PHE A 58 5.862 8.890 26.195 1.00 14.50 C ATOM 875 CZ PHE A 58 5.997 7.518 26.261 1.00 72.43 C ATOM 0 H PHE A 58 9.738 9.109 25.016 1.00 33.53 H new ATOM 0 HA PHE A 58 9.349 8.224 22.385 1.00 31.51 H new ATOM 0 HB2 PHE A 58 8.240 10.766 23.618 1.00 13.34 H new ATOM 0 HB3 PHE A 58 7.510 9.780 22.367 1.00 13.34 H new ATOM 0 HD1 PHE A 58 8.136 7.066 23.697 1.00 22.22 H new ATOM 0 HD2 PHE A 58 6.437 10.678 25.183 1.00 4.12 H new ATOM 0 HE1 PHE A 58 6.921 5.789 25.408 1.00 34.05 H new ATOM 0 HE2 PHE A 58 5.222 9.404 26.897 1.00 14.50 H new ATOM 0 HZ PHE A 58 5.465 6.957 27.015 1.00 72.43 H new ATOM 885 N SER A 59 10.091 9.995 20.742 1.00 11.53 N ATOM 886 CA SER A 59 10.779 10.860 19.790 1.00 31.24 C ATOM 887 C SER A 59 10.202 12.272 19.823 1.00 33.30 C ATOM 888 O SER A 59 10.730 13.186 19.190 1.00 53.12 O ATOM 889 CB SER A 59 10.671 10.285 18.377 1.00 72.13 C ATOM 890 OG SER A 59 11.923 10.320 17.715 1.00 42.23 O ATOM 0 H SER A 59 9.482 9.297 20.314 1.00 11.53 H new ATOM 0 HA SER A 59 11.830 10.910 20.075 1.00 31.24 H new ATOM 0 HB2 SER A 59 10.311 9.257 18.426 1.00 72.13 H new ATOM 0 HB3 SER A 59 9.938 10.853 17.805 1.00 72.13 H new ATOM 0 HG SER A 59 11.783 10.256 16.747 1.00 42.23 H new ATOM 896 N LYS A 60 9.113 12.442 20.566 1.00 4.00 N ATOM 897 CA LYS A 60 8.463 13.742 20.684 1.00 31.42 C ATOM 898 C LYS A 60 7.878 14.181 19.346 1.00 72.12 C ATOM 899 O LYS A 60 8.610 14.439 18.392 1.00 64.02 O ATOM 900 CB LYS A 60 9.459 14.790 21.186 1.00 34.42 C ATOM 901 CG LYS A 60 8.825 15.865 22.052 1.00 22.33 C ATOM 902 CD LYS A 60 8.566 15.363 23.463 1.00 12.20 C ATOM 903 CE LYS A 60 7.081 15.373 23.794 1.00 3.50 C ATOM 904 NZ LYS A 60 6.804 14.749 25.117 1.00 74.30 N ATOM 0 H LYS A 60 8.662 11.696 21.095 1.00 4.00 H new ATOM 0 HA LYS A 60 7.649 13.649 21.403 1.00 31.42 H new ATOM 0 HB2 LYS A 60 10.242 14.291 21.756 1.00 34.42 H new ATOM 0 HB3 LYS A 60 9.940 15.262 20.329 1.00 34.42 H new ATOM 0 HG2 LYS A 60 9.479 16.736 22.089 1.00 22.33 H new ATOM 0 HG3 LYS A 60 7.887 16.190 21.602 1.00 22.33 H new ATOM 0 HD2 LYS A 60 8.956 14.351 23.568 1.00 12.20 H new ATOM 0 HD3 LYS A 60 9.103 15.987 24.177 1.00 12.20 H new ATOM 0 HE2 LYS A 60 6.716 16.400 23.793 1.00 3.50 H new ATOM 0 HE3 LYS A 60 6.532 14.839 23.018 1.00 3.50 H new ATOM 0 HZ1 LYS A 60 6.000 14.094 25.031 1.00 74.30 H new ATOM 0 HZ2 LYS A 60 7.644 14.226 25.437 1.00 74.30 H new ATOM 0 HZ3 LYS A 60 6.574 15.490 25.809 1.00 74.30 H new ATOM 918 N GLY A 61 6.552 14.265 19.283 1.00 2.03 N ATOM 919 CA GLY A 61 5.892 14.675 18.058 1.00 71.22 C ATOM 920 C GLY A 61 5.459 16.127 18.090 1.00 43.21 C ATOM 921 O GLY A 61 6.265 17.015 18.367 1.00 20.12 O ATOM 0 H GLY A 61 5.924 14.056 20.059 1.00 2.03 H new ATOM 0 HA2 GLY A 61 6.566 14.519 17.216 1.00 71.22 H new ATOM 0 HA3 GLY A 61 5.020 14.043 17.890 1.00 71.22 H new ATOM 925 N GLU A 62 4.184 16.370 17.804 1.00 71.20 N ATOM 926 CA GLU A 62 3.647 17.726 17.799 1.00 23.31 C ATOM 927 C GLU A 62 2.503 17.861 18.799 1.00 11.54 C ATOM 928 O GLU A 62 1.662 16.971 18.920 1.00 52.54 O ATOM 929 CB GLU A 62 3.161 18.101 16.398 1.00 64.35 C ATOM 930 CG GLU A 62 4.122 19.003 15.641 1.00 20.14 C ATOM 931 CD GLU A 62 3.941 20.468 15.987 1.00 12.23 C ATOM 932 OE1 GLU A 62 2.779 20.907 16.115 1.00 13.55 O ATOM 933 OE2 GLU A 62 4.960 21.175 16.129 1.00 1.35 O ATOM 0 H GLU A 62 3.504 15.646 17.573 1.00 71.20 H new ATOM 0 HA GLU A 62 4.446 18.407 18.093 1.00 23.31 H new ATOM 0 HB2 GLU A 62 3.001 17.190 15.822 1.00 64.35 H new ATOM 0 HB3 GLU A 62 2.195 18.600 16.479 1.00 64.35 H new ATOM 0 HG2 GLU A 62 5.146 18.705 15.864 1.00 20.14 H new ATOM 0 HG3 GLU A 62 3.976 18.866 14.570 1.00 20.14 H new ATOM 940 N GLU A 63 2.480 18.982 19.515 1.00 72.23 N ATOM 941 CA GLU A 63 1.440 19.233 20.506 1.00 51.34 C ATOM 942 C GLU A 63 0.169 19.754 19.840 1.00 30.24 C ATOM 943 O GLU A 63 0.218 20.650 18.997 1.00 33.41 O ATOM 944 CB GLU A 63 1.931 20.239 21.549 1.00 21.20 C ATOM 945 CG GLU A 63 1.683 19.799 22.982 1.00 11.21 C ATOM 946 CD GLU A 63 2.740 20.312 23.941 1.00 70.31 C ATOM 947 OE1 GLU A 63 3.799 19.662 24.060 1.00 64.43 O ATOM 948 OE2 GLU A 63 2.507 21.364 24.572 1.00 22.25 O ATOM 0 H GLU A 63 3.169 19.729 19.427 1.00 72.23 H new ATOM 0 HA GLU A 63 1.210 18.290 21.001 1.00 51.34 H new ATOM 0 HB2 GLU A 63 2.999 20.404 21.408 1.00 21.20 H new ATOM 0 HB3 GLU A 63 1.436 21.195 21.380 1.00 21.20 H new ATOM 0 HG2 GLU A 63 0.704 20.154 23.303 1.00 11.21 H new ATOM 0 HG3 GLU A 63 1.657 18.710 23.024 1.00 11.21 H new ATOM 955 N LYS A 64 -0.969 19.185 20.225 1.00 4.44 N ATOM 956 CA LYS A 64 -2.254 19.591 19.669 1.00 62.55 C ATOM 957 C LYS A 64 -3.355 19.501 20.720 1.00 31.40 C ATOM 958 O LYS A 64 -3.280 18.689 21.642 1.00 41.11 O ATOM 959 CB LYS A 64 -2.610 18.715 18.465 1.00 32.21 C ATOM 960 CG LYS A 64 -3.902 19.122 17.778 1.00 50.22 C ATOM 961 CD LYS A 64 -5.078 18.291 18.263 1.00 62.45 C ATOM 962 CE LYS A 64 -5.280 17.055 17.399 1.00 31.01 C ATOM 963 NZ LYS A 64 -4.219 16.036 17.631 1.00 12.15 N ATOM 0 H LYS A 64 -1.027 18.441 20.920 1.00 4.44 H new ATOM 0 HA LYS A 64 -2.171 20.628 19.345 1.00 62.55 H new ATOM 0 HB2 LYS A 64 -1.795 18.757 17.742 1.00 32.21 H new ATOM 0 HB3 LYS A 64 -2.693 17.679 18.792 1.00 32.21 H new ATOM 0 HG2 LYS A 64 -4.099 20.177 17.967 1.00 50.22 H new ATOM 0 HG3 LYS A 64 -3.794 19.006 16.700 1.00 50.22 H new ATOM 0 HD2 LYS A 64 -4.911 17.990 19.297 1.00 62.45 H new ATOM 0 HD3 LYS A 64 -5.984 18.897 18.250 1.00 62.45 H new ATOM 0 HE2 LYS A 64 -6.256 16.618 17.612 1.00 31.01 H new ATOM 0 HE3 LYS A 64 -5.283 17.343 16.348 1.00 31.01 H new ATOM 0 HZ1 LYS A 64 -4.553 15.106 17.306 1.00 12.15 H new ATOM 0 HZ2 LYS A 64 -3.363 16.300 17.103 1.00 12.15 H new ATOM 0 HZ3 LYS A 64 -3.999 15.989 18.646 1.00 12.15 H new ATOM 977 N GLU A 65 -4.377 20.338 20.574 1.00 41.34 N ATOM 978 CA GLU A 65 -5.493 20.352 21.511 1.00 34.54 C ATOM 979 C GLU A 65 -6.781 19.894 20.831 1.00 4.42 C ATOM 980 O GLU A 65 -7.104 20.338 19.729 1.00 33.12 O ATOM 981 CB GLU A 65 -5.682 21.754 22.095 1.00 61.54 C ATOM 982 CG GLU A 65 -6.898 21.879 22.997 1.00 22.22 C ATOM 983 CD GLU A 65 -7.160 23.309 23.427 1.00 12.12 C ATOM 984 OE1 GLU A 65 -6.246 24.148 23.290 1.00 65.11 O ATOM 985 OE2 GLU A 65 -8.281 23.589 23.901 1.00 54.20 O ATOM 0 H GLU A 65 -4.455 21.015 19.815 1.00 41.34 H new ATOM 0 HA GLU A 65 -5.263 19.658 22.320 1.00 34.54 H new ATOM 0 HB2 GLU A 65 -4.791 22.026 22.661 1.00 61.54 H new ATOM 0 HB3 GLU A 65 -5.771 22.470 21.278 1.00 61.54 H new ATOM 0 HG2 GLU A 65 -7.774 21.494 22.475 1.00 22.22 H new ATOM 0 HG3 GLU A 65 -6.755 21.258 23.881 1.00 22.22 H new ATOM 992 N ASP A 66 -7.510 19.005 21.496 1.00 61.24 N ATOM 993 CA ASP A 66 -8.762 18.487 20.957 1.00 51.05 C ATOM 994 C ASP A 66 -9.702 18.061 22.080 1.00 72.32 C ATOM 995 O ASP A 66 -9.467 18.367 23.248 1.00 51.40 O ATOM 996 CB ASP A 66 -8.491 17.305 20.025 1.00 30.52 C ATOM 997 CG ASP A 66 -9.267 17.401 18.726 1.00 31.34 C ATOM 998 OD1 ASP A 66 -10.484 17.120 18.741 1.00 42.33 O ATOM 999 OD2 ASP A 66 -8.658 17.755 17.695 1.00 3.45 O ATOM 0 H ASP A 66 -7.256 18.628 22.409 1.00 61.24 H new ATOM 0 HA ASP A 66 -9.242 19.284 20.389 1.00 51.05 H new ATOM 0 HB2 ASP A 66 -7.425 17.257 19.805 1.00 30.52 H new ATOM 0 HB3 ASP A 66 -8.754 16.377 20.534 1.00 30.52 H new ATOM 1004 N GLU A 67 -10.767 17.353 21.717 1.00 54.13 N ATOM 1005 CA GLU A 67 -11.744 16.887 22.695 1.00 65.15 C ATOM 1006 C GLU A 67 -11.654 15.374 22.874 1.00 55.05 C ATOM 1007 O GLU A 67 -12.279 14.806 23.770 1.00 64.11 O ATOM 1008 CB GLU A 67 -13.158 17.278 22.262 1.00 33.12 C ATOM 1009 CG GLU A 67 -13.494 16.869 20.838 1.00 53.22 C ATOM 1010 CD GLU A 67 -14.883 17.309 20.417 1.00 50.21 C ATOM 1011 OE1 GLU A 67 -15.607 17.875 21.263 1.00 73.33 O ATOM 1012 OE2 GLU A 67 -15.246 17.088 19.243 1.00 44.13 O ATOM 0 H GLU A 67 -10.975 17.090 20.754 1.00 54.13 H new ATOM 0 HA GLU A 67 -11.520 17.362 23.650 1.00 65.15 H new ATOM 0 HB2 GLU A 67 -13.877 16.820 22.942 1.00 33.12 H new ATOM 0 HB3 GLU A 67 -13.272 18.358 22.357 1.00 33.12 H new ATOM 0 HG2 GLU A 67 -12.759 17.299 20.157 1.00 53.22 H new ATOM 0 HG3 GLU A 67 -13.417 15.785 20.747 1.00 53.22 H new ATOM 1019 N PHE A 68 -10.875 14.727 22.014 1.00 45.34 N ATOM 1020 CA PHE A 68 -10.704 13.280 22.075 1.00 52.42 C ATOM 1021 C PHE A 68 -9.625 12.902 23.085 1.00 32.01 C ATOM 1022 O PHE A 68 -9.341 11.722 23.294 1.00 3.52 O ATOM 1023 CB PHE A 68 -10.342 12.729 20.694 1.00 2.41 C ATOM 1024 CG PHE A 68 -11.515 12.632 19.761 1.00 65.12 C ATOM 1025 CD1 PHE A 68 -12.259 13.756 19.443 1.00 40.52 C ATOM 1026 CD2 PHE A 68 -11.872 11.416 19.201 1.00 12.01 C ATOM 1027 CE1 PHE A 68 -13.339 13.669 18.585 1.00 50.31 C ATOM 1028 CE2 PHE A 68 -12.951 11.323 18.342 1.00 32.21 C ATOM 1029 CZ PHE A 68 -13.685 12.451 18.033 1.00 42.31 C ATOM 0 H PHE A 68 -10.352 15.182 21.266 1.00 45.34 H new ATOM 0 HA PHE A 68 -11.648 12.841 22.397 1.00 52.42 H new ATOM 0 HB2 PHE A 68 -9.582 13.368 20.244 1.00 2.41 H new ATOM 0 HB3 PHE A 68 -9.898 11.740 20.811 1.00 2.41 H new ATOM 0 HD1 PHE A 68 -11.992 14.711 19.870 1.00 40.52 H new ATOM 0 HD2 PHE A 68 -11.301 10.531 19.438 1.00 12.01 H new ATOM 0 HE1 PHE A 68 -13.912 14.553 18.346 1.00 50.31 H new ATOM 0 HE2 PHE A 68 -13.220 10.369 17.913 1.00 32.21 H new ATOM 0 HZ PHE A 68 -14.528 12.381 17.361 1.00 42.31 H new ATOM 1039 N PHE A 69 -9.027 13.911 23.709 1.00 51.50 N ATOM 1040 CA PHE A 69 -7.978 13.686 24.697 1.00 51.15 C ATOM 1041 C PHE A 69 -7.561 14.998 25.355 1.00 25.44 C ATOM 1042 O PHE A 69 -7.231 15.032 26.540 1.00 1.41 O ATOM 1043 CB PHE A 69 -6.765 13.023 24.041 1.00 70.21 C ATOM 1044 CG PHE A 69 -6.029 13.924 23.091 1.00 14.20 C ATOM 1045 CD1 PHE A 69 -6.646 14.393 21.942 1.00 13.54 C ATOM 1046 CD2 PHE A 69 -4.721 14.303 23.347 1.00 74.21 C ATOM 1047 CE1 PHE A 69 -5.971 15.222 21.066 1.00 12.44 C ATOM 1048 CE2 PHE A 69 -4.041 15.132 22.475 1.00 74.13 C ATOM 1049 CZ PHE A 69 -4.668 15.593 21.333 1.00 3.04 C ATOM 0 H PHE A 69 -9.251 14.893 23.548 1.00 51.50 H new ATOM 0 HA PHE A 69 -8.374 13.023 25.467 1.00 51.15 H new ATOM 0 HB2 PHE A 69 -6.078 12.690 24.819 1.00 70.21 H new ATOM 0 HB3 PHE A 69 -7.094 12.133 23.504 1.00 70.21 H new ATOM 0 HD1 PHE A 69 -7.666 14.108 21.729 1.00 13.54 H new ATOM 0 HD2 PHE A 69 -4.227 13.946 24.239 1.00 74.21 H new ATOM 0 HE1 PHE A 69 -6.462 15.579 20.173 1.00 12.44 H new ATOM 0 HE2 PHE A 69 -3.021 15.419 22.686 1.00 74.13 H new ATOM 0 HZ PHE A 69 -4.140 16.242 20.651 1.00 3.04 H new ATOM 1059 N GLY A 70 -7.577 16.076 24.577 1.00 22.41 N ATOM 1060 CA GLY A 70 -7.197 17.375 25.101 1.00 35.42 C ATOM 1061 C GLY A 70 -5.920 17.901 24.478 1.00 23.40 C ATOM 1062 O GLY A 70 -5.652 17.663 23.300 1.00 54.31 O ATOM 0 H GLY A 70 -7.846 16.073 23.593 1.00 22.41 H new ATOM 0 HA2 GLY A 70 -8.004 18.086 24.922 1.00 35.42 H new ATOM 0 HA3 GLY A 70 -7.068 17.304 26.181 1.00 35.42 H new ATOM 1066 N ARG A 71 -5.129 18.618 25.269 1.00 11.23 N ATOM 1067 CA ARG A 71 -3.874 19.182 24.787 1.00 22.43 C ATOM 1068 C ARG A 71 -2.701 18.266 25.125 1.00 33.45 C ATOM 1069 O ARG A 71 -2.232 18.237 26.263 1.00 54.01 O ATOM 1070 CB ARG A 71 -3.645 20.567 25.396 1.00 61.55 C ATOM 1071 CG ARG A 71 -3.818 20.605 26.905 1.00 22.21 C ATOM 1072 CD ARG A 71 -4.973 21.507 27.311 1.00 61.22 C ATOM 1073 NE ARG A 71 -4.569 22.907 27.399 1.00 42.51 N ATOM 1074 CZ ARG A 71 -5.415 23.903 27.642 1.00 64.53 C ATOM 1075 NH1 ARG A 71 -6.704 23.652 27.820 1.00 13.01 N ATOM 1076 NH2 ARG A 71 -4.971 25.151 27.707 1.00 3.30 N ATOM 0 H ARG A 71 -5.335 18.822 26.247 1.00 11.23 H new ATOM 0 HA ARG A 71 -3.939 19.276 23.703 1.00 22.43 H new ATOM 0 HB2 ARG A 71 -2.639 20.903 25.146 1.00 61.55 H new ATOM 0 HB3 ARG A 71 -4.339 21.274 24.941 1.00 61.55 H new ATOM 0 HG2 ARG A 71 -3.995 19.596 27.278 1.00 22.21 H new ATOM 0 HG3 ARG A 71 -2.898 20.960 27.369 1.00 22.21 H new ATOM 0 HD2 ARG A 71 -5.782 21.408 26.587 1.00 61.22 H new ATOM 0 HD3 ARG A 71 -5.366 21.182 28.274 1.00 61.22 H new ATOM 0 HE ARG A 71 -3.583 23.133 27.267 1.00 42.51 H new ATOM 0 HH11 ARG A 71 -7.048 22.693 27.771 1.00 13.01 H new ATOM 0 HH12 ARG A 71 -7.352 24.418 28.006 1.00 13.01 H new ATOM 0 HH21 ARG A 71 -3.979 25.347 27.570 1.00 3.30 H new ATOM 0 HH22 ARG A 71 -5.621 25.915 27.894 1.00 3.30 H new ATOM 1090 N GLN A 72 -2.234 17.519 24.130 1.00 31.01 N ATOM 1091 CA GLN A 72 -1.117 16.601 24.323 1.00 15.31 C ATOM 1092 C GLN A 72 -0.343 16.405 23.024 1.00 10.40 C ATOM 1093 O GLN A 72 -0.785 16.827 21.955 1.00 53.12 O ATOM 1094 CB GLN A 72 -1.622 15.252 24.839 1.00 42.35 C ATOM 1095 CG GLN A 72 -0.671 14.580 25.815 1.00 25.11 C ATOM 1096 CD GLN A 72 -1.154 14.660 27.250 1.00 72.34 C ATOM 1097 OE1 GLN A 72 -2.357 14.671 27.512 1.00 73.05 O ATOM 1098 NE2 GLN A 72 -0.217 14.715 28.188 1.00 2.45 N ATOM 0 H GLN A 72 -2.611 17.531 23.182 1.00 31.01 H new ATOM 0 HA GLN A 72 -0.445 17.036 25.062 1.00 15.31 H new ATOM 0 HB2 GLN A 72 -2.587 15.396 25.326 1.00 42.35 H new ATOM 0 HB3 GLN A 72 -1.789 14.587 23.991 1.00 42.35 H new ATOM 0 HG2 GLN A 72 -0.548 13.534 25.535 1.00 25.11 H new ATOM 0 HG3 GLN A 72 0.311 15.047 25.740 1.00 25.11 H new ATOM 0 HE21 GLN A 72 0.769 14.703 27.926 1.00 2.45 H new ATOM 0 HE22 GLN A 72 -0.482 14.769 29.171 1.00 2.45 H new ATOM 1107 N THR A 73 0.817 15.763 23.123 1.00 33.21 N ATOM 1108 CA THR A 73 1.654 15.512 21.957 1.00 52.42 C ATOM 1109 C THR A 73 1.230 14.236 21.239 1.00 34.04 C ATOM 1110 O THR A 73 0.891 13.238 21.875 1.00 35.22 O ATOM 1111 CB THR A 73 3.140 15.399 22.346 1.00 50.43 C ATOM 1112 OG1 THR A 73 3.401 16.181 23.517 1.00 34.30 O ATOM 1113 CG2 THR A 73 4.034 15.868 21.208 1.00 43.11 C ATOM 0 H THR A 73 1.198 15.407 24.000 1.00 33.21 H new ATOM 0 HA THR A 73 1.525 16.362 21.287 1.00 52.42 H new ATOM 0 HB THR A 73 3.360 14.352 22.553 1.00 50.43 H new ATOM 0 HG1 THR A 73 4.347 16.102 23.759 1.00 34.30 H new ATOM 0 HG21 THR A 73 5.079 15.779 21.506 1.00 43.11 H new ATOM 0 HG22 THR A 73 3.854 15.252 20.327 1.00 43.11 H new ATOM 0 HG23 THR A 73 3.810 16.909 20.975 1.00 43.11 H new ATOM 1121 N VAL A 74 1.251 14.274 19.911 1.00 42.22 N ATOM 1122 CA VAL A 74 0.870 13.119 19.106 1.00 2.35 C ATOM 1123 C VAL A 74 1.775 12.976 17.888 1.00 53.14 C ATOM 1124 O VAL A 74 2.603 13.844 17.611 1.00 63.20 O ATOM 1125 CB VAL A 74 -0.593 13.220 18.637 1.00 13.41 C ATOM 1126 CG1 VAL A 74 -1.509 13.539 19.809 1.00 73.11 C ATOM 1127 CG2 VAL A 74 -0.730 14.268 17.543 1.00 72.04 C ATOM 0 H VAL A 74 1.528 15.093 19.369 1.00 42.22 H new ATOM 0 HA VAL A 74 0.980 12.240 19.741 1.00 2.35 H new ATOM 0 HB VAL A 74 -0.892 12.256 18.225 1.00 13.41 H new ATOM 0 HG11 VAL A 74 -2.539 13.606 19.458 1.00 73.11 H new ATOM 0 HG12 VAL A 74 -1.431 12.750 20.557 1.00 73.11 H new ATOM 0 HG13 VAL A 74 -1.214 14.490 20.253 1.00 73.11 H new ATOM 0 HG21 VAL A 74 -1.770 14.326 17.223 1.00 72.04 H new ATOM 0 HG22 VAL A 74 -0.413 15.238 17.927 1.00 72.04 H new ATOM 0 HG23 VAL A 74 -0.104 13.992 16.694 1.00 72.04 H new ATOM 1137 N TYR A 75 1.610 11.876 17.162 1.00 52.04 N ATOM 1138 CA TYR A 75 2.413 11.618 15.972 1.00 31.44 C ATOM 1139 C TYR A 75 1.530 11.498 14.734 1.00 12.40 C ATOM 1140 O TYR A 75 0.445 10.917 14.784 1.00 42.30 O ATOM 1141 CB TYR A 75 3.233 10.339 16.153 1.00 75.20 C ATOM 1142 CG TYR A 75 4.249 10.424 17.269 1.00 64.22 C ATOM 1143 CD1 TYR A 75 5.290 11.344 17.218 1.00 32.52 C ATOM 1144 CD2 TYR A 75 4.171 9.584 18.373 1.00 55.21 C ATOM 1145 CE1 TYR A 75 6.222 11.425 18.235 1.00 74.50 C ATOM 1146 CE2 TYR A 75 5.097 9.659 19.395 1.00 51.12 C ATOM 1147 CZ TYR A 75 6.121 10.581 19.321 1.00 34.42 C ATOM 1148 OH TYR A 75 7.046 10.657 20.337 1.00 43.34 O ATOM 0 H TYR A 75 0.928 11.149 17.376 1.00 52.04 H new ATOM 0 HA TYR A 75 3.091 12.460 15.832 1.00 31.44 H new ATOM 0 HB2 TYR A 75 2.556 9.508 16.352 1.00 75.20 H new ATOM 0 HB3 TYR A 75 3.749 10.113 15.220 1.00 75.20 H new ATOM 0 HD1 TYR A 75 5.372 12.007 16.369 1.00 32.52 H new ATOM 0 HD2 TYR A 75 3.372 8.860 18.433 1.00 55.21 H new ATOM 0 HE1 TYR A 75 7.025 12.145 18.180 1.00 74.50 H new ATOM 0 HE2 TYR A 75 5.020 9.000 20.247 1.00 51.12 H new ATOM 0 HH TYR A 75 6.703 11.236 21.049 1.00 43.34 H new ATOM 1158 N HIS A 76 2.003 12.053 13.622 1.00 31.33 N ATOM 1159 CA HIS A 76 1.258 12.008 12.369 1.00 0.20 C ATOM 1160 C HIS A 76 1.817 10.933 11.443 1.00 63.25 C ATOM 1161 O HIS A 76 1.288 10.699 10.355 1.00 3.13 O ATOM 1162 CB HIS A 76 1.304 13.370 11.675 1.00 22.03 C ATOM 1163 CG HIS A 76 2.676 13.969 11.623 1.00 53.31 C ATOM 1164 ND1 HIS A 76 3.890 13.390 11.471 1.00 61.41 N flip ATOM 1165 CD2 HIS A 76 2.910 15.324 11.735 1.00 13.21 C flip ATOM 1166 CE1 HIS A 76 4.826 14.395 11.493 1.00 74.35 C flip ATOM 1167 NE2 HIS A 76 4.209 15.552 11.653 1.00 73.13 N flip ATOM 0 H HIS A 76 2.898 12.539 13.563 1.00 31.33 H new ATOM 0 HA HIS A 76 0.222 11.761 12.600 1.00 0.20 H new ATOM 0 HB2 HIS A 76 0.924 13.264 10.659 1.00 22.03 H new ATOM 0 HB3 HIS A 76 0.636 14.057 12.195 1.00 22.03 H new ATOM 0 HD2 HIS A 76 2.150 16.080 11.869 1.00 13.21 H new ATOM 0 HE1 HIS A 76 5.893 14.261 11.395 1.00 74.35 H new ATOM 0 HE2 HIS A 76 4.659 16.466 11.704 1.00 73.13 H new ATOM 1175 N HIS A 77 2.891 10.281 11.880 1.00 55.54 N ATOM 1176 CA HIS A 77 3.522 9.231 11.089 1.00 32.31 C ATOM 1177 C HIS A 77 4.724 8.646 11.824 1.00 32.53 C ATOM 1178 O HIS A 77 4.751 7.456 12.139 1.00 1.31 O ATOM 1179 CB HIS A 77 3.958 9.778 9.730 1.00 53.33 C ATOM 1180 CG HIS A 77 4.842 8.844 8.963 1.00 23.33 C ATOM 1181 ND1 HIS A 77 4.390 8.069 7.916 1.00 24.52 N ATOM 1182 CD2 HIS A 77 6.160 8.563 9.096 1.00 51.43 C ATOM 1183 CE1 HIS A 77 5.391 7.351 7.439 1.00 63.51 C ATOM 1184 NE2 HIS A 77 6.477 7.633 8.137 1.00 75.30 N ATOM 0 H HIS A 77 3.342 10.462 12.777 1.00 55.54 H new ATOM 0 HA HIS A 77 2.790 8.438 10.935 1.00 32.31 H new ATOM 0 HB2 HIS A 77 3.072 9.997 9.135 1.00 53.33 H new ATOM 0 HB3 HIS A 77 4.483 10.722 9.879 1.00 53.33 H new ATOM 0 HD1 HIS A 77 3.433 8.053 7.565 1.00 24.52 H new ATOM 0 HD2 HIS A 77 6.836 8.991 9.821 1.00 51.43 H new ATOM 0 HE1 HIS A 77 5.332 6.652 6.618 1.00 63.51 H new ATOM 1192 N GLU A 78 5.715 9.489 12.093 1.00 2.34 N ATOM 1193 CA GLU A 78 6.920 9.054 12.790 1.00 40.01 C ATOM 1194 C GLU A 78 6.676 8.963 14.294 1.00 62.44 C ATOM 1195 O GLU A 78 6.281 9.939 14.929 1.00 14.13 O ATOM 1196 CB GLU A 78 8.075 10.017 12.507 1.00 23.51 C ATOM 1197 CG GLU A 78 7.738 11.471 12.787 1.00 1.34 C ATOM 1198 CD GLU A 78 8.764 12.147 13.676 1.00 44.44 C ATOM 1199 OE1 GLU A 78 9.134 11.555 14.711 1.00 20.01 O ATOM 1200 OE2 GLU A 78 9.198 13.268 13.336 1.00 54.11 O ATOM 0 H GLU A 78 5.708 10.477 11.839 1.00 2.34 H new ATOM 0 HA GLU A 78 7.184 8.063 12.422 1.00 40.01 H new ATOM 0 HB2 GLU A 78 8.934 9.729 13.113 1.00 23.51 H new ATOM 0 HB3 GLU A 78 8.373 9.916 11.463 1.00 23.51 H new ATOM 0 HG2 GLU A 78 7.668 12.012 11.843 1.00 1.34 H new ATOM 0 HG3 GLU A 78 6.758 11.528 13.261 1.00 1.34 H new ATOM 1207 N ALA A 79 6.915 7.782 14.855 1.00 30.01 N ATOM 1208 CA ALA A 79 6.723 7.562 16.283 1.00 1.52 C ATOM 1209 C ALA A 79 7.657 6.474 16.802 1.00 75.34 C ATOM 1210 O ALA A 79 7.327 5.289 16.757 1.00 61.24 O ATOM 1211 CB ALA A 79 5.274 7.199 16.571 1.00 10.23 C ATOM 0 H ALA A 79 7.242 6.963 14.342 1.00 30.01 H new ATOM 0 HA ALA A 79 6.964 8.489 16.804 1.00 1.52 H new ATOM 0 HB1 ALA A 79 5.145 7.037 17.641 1.00 10.23 H new ATOM 0 HB2 ALA A 79 4.624 8.011 16.246 1.00 10.23 H new ATOM 0 HB3 ALA A 79 5.013 6.288 16.033 1.00 10.23 H new ATOM 1217 N GLN A 80 8.822 6.884 17.292 1.00 34.13 N ATOM 1218 CA GLN A 80 9.803 5.942 17.818 1.00 72.14 C ATOM 1219 C GLN A 80 10.070 6.202 19.296 1.00 3.43 C ATOM 1220 O GLN A 80 9.997 7.340 19.760 1.00 13.41 O ATOM 1221 CB GLN A 80 11.108 6.039 17.026 1.00 24.53 C ATOM 1222 CG GLN A 80 11.965 7.235 17.409 1.00 31.54 C ATOM 1223 CD GLN A 80 13.283 7.272 16.662 1.00 62.41 C ATOM 1224 OE1 GLN A 80 13.463 6.577 15.661 1.00 34.44 O ATOM 1225 NE2 GLN A 80 14.215 8.085 17.144 1.00 10.54 N ATOM 0 H GLN A 80 9.110 7.862 17.336 1.00 34.13 H new ATOM 0 HA GLN A 80 9.396 4.936 17.714 1.00 72.14 H new ATOM 0 HB2 GLN A 80 11.684 5.126 17.178 1.00 24.53 H new ATOM 0 HB3 GLN A 80 10.875 6.095 15.963 1.00 24.53 H new ATOM 0 HG2 GLN A 80 11.412 8.153 17.208 1.00 31.54 H new ATOM 0 HG3 GLN A 80 12.160 7.209 18.481 1.00 31.54 H new ATOM 0 HE21 GLN A 80 14.024 8.643 17.976 1.00 10.54 H new ATOM 0 HE22 GLN A 80 15.122 8.151 16.682 1.00 10.54 H new ATOM 1234 N VAL A 81 10.381 5.140 20.033 1.00 54.13 N ATOM 1235 CA VAL A 81 10.660 5.254 21.459 1.00 34.22 C ATOM 1236 C VAL A 81 11.934 4.504 21.832 1.00 75.45 C ATOM 1237 O VAL A 81 12.095 3.330 21.499 1.00 75.13 O ATOM 1238 CB VAL A 81 9.492 4.711 22.304 1.00 11.45 C ATOM 1239 CG1 VAL A 81 9.711 5.018 23.778 1.00 43.40 C ATOM 1240 CG2 VAL A 81 8.171 5.291 21.822 1.00 51.04 C ATOM 0 H VAL A 81 10.446 4.191 19.665 1.00 54.13 H new ATOM 0 HA VAL A 81 10.791 6.315 21.672 1.00 34.22 H new ATOM 0 HB VAL A 81 9.453 3.628 22.184 1.00 11.45 H new ATOM 0 HG11 VAL A 81 8.876 4.627 24.359 1.00 43.40 H new ATOM 0 HG12 VAL A 81 10.637 4.551 24.113 1.00 43.40 H new ATOM 0 HG13 VAL A 81 9.777 6.097 23.919 1.00 43.40 H new ATOM 0 HG21 VAL A 81 7.357 4.897 22.430 1.00 51.04 H new ATOM 0 HG22 VAL A 81 8.197 6.377 21.910 1.00 51.04 H new ATOM 0 HG23 VAL A 81 8.011 5.016 20.780 1.00 51.04 H new ATOM 1250 N ALA A 82 12.836 5.189 22.525 1.00 44.52 N ATOM 1251 CA ALA A 82 14.096 4.587 22.945 1.00 15.40 C ATOM 1252 C ALA A 82 13.996 4.042 24.365 1.00 30.54 C ATOM 1253 O ALA A 82 13.469 4.703 25.260 1.00 52.11 O ATOM 1254 CB ALA A 82 15.225 5.602 22.845 1.00 11.15 C ATOM 0 H ALA A 82 12.718 6.162 22.808 1.00 44.52 H new ATOM 0 HA ALA A 82 14.313 3.753 22.278 1.00 15.40 H new ATOM 0 HB1 ALA A 82 16.160 5.139 23.162 1.00 11.15 H new ATOM 0 HB2 ALA A 82 15.319 5.941 21.813 1.00 11.15 H new ATOM 0 HB3 ALA A 82 15.006 6.454 23.488 1.00 11.15 H new ATOM 1260 N PHE A 83 14.505 2.830 24.566 1.00 51.41 N ATOM 1261 CA PHE A 83 14.472 2.195 25.878 1.00 73.21 C ATOM 1262 C PHE A 83 15.883 2.008 26.427 1.00 32.55 C ATOM 1263 O PHE A 83 16.487 0.942 26.306 1.00 63.11 O ATOM 1264 CB PHE A 83 13.761 0.842 25.795 1.00 12.41 C ATOM 1265 CG PHE A 83 12.359 0.934 25.264 1.00 33.34 C ATOM 1266 CD1 PHE A 83 11.554 2.017 25.579 1.00 60.14 C ATOM 1267 CD2 PHE A 83 11.845 -0.064 24.452 1.00 61.23 C ATOM 1268 CE1 PHE A 83 10.263 2.104 25.092 1.00 44.23 C ATOM 1269 CE2 PHE A 83 10.556 0.018 23.962 1.00 75.15 C ATOM 1270 CZ PHE A 83 9.763 1.103 24.283 1.00 62.31 C ATOM 0 H PHE A 83 14.945 2.269 23.837 1.00 51.41 H new ATOM 0 HA PHE A 83 13.921 2.847 26.556 1.00 73.21 H new ATOM 0 HB2 PHE A 83 14.340 0.175 25.156 1.00 12.41 H new ATOM 0 HB3 PHE A 83 13.736 0.392 26.787 1.00 12.41 H new ATOM 0 HD1 PHE A 83 11.940 2.802 26.212 1.00 60.14 H new ATOM 0 HD2 PHE A 83 12.459 -0.916 24.199 1.00 61.23 H new ATOM 0 HE1 PHE A 83 9.646 2.954 25.344 1.00 44.23 H new ATOM 0 HE2 PHE A 83 10.168 -0.766 23.328 1.00 75.15 H new ATOM 0 HZ PHE A 83 8.755 1.168 23.902 1.00 62.31 H new ATOM 1280 N PRO A 84 16.422 3.068 27.047 1.00 54.33 N ATOM 1281 CA PRO A 84 17.767 3.047 27.627 1.00 24.44 C ATOM 1282 C PRO A 84 17.851 2.159 28.864 1.00 32.24 C ATOM 1283 O PRO A 84 17.126 2.365 29.838 1.00 22.32 O ATOM 1284 CB PRO A 84 18.016 4.510 28.002 1.00 72.12 C ATOM 1285 CG PRO A 84 16.656 5.087 28.199 1.00 63.44 C ATOM 1286 CD PRO A 84 15.758 4.370 27.228 1.00 3.42 C ATOM 0 HA PRO A 84 18.503 2.640 26.934 1.00 24.44 H new ATOM 0 HB2 PRO A 84 18.615 4.590 28.909 1.00 72.12 H new ATOM 0 HB3 PRO A 84 18.558 5.034 27.215 1.00 72.12 H new ATOM 0 HG2 PRO A 84 16.316 4.943 29.225 1.00 63.44 H new ATOM 0 HG3 PRO A 84 16.656 6.161 28.011 1.00 63.44 H new ATOM 0 HD2 PRO A 84 14.749 4.255 27.624 1.00 3.42 H new ATOM 0 HD3 PRO A 84 15.671 4.911 26.286 1.00 3.42 H new ATOM 1294 N TYR A 85 18.739 1.172 28.819 1.00 34.34 N ATOM 1295 CA TYR A 85 18.915 0.251 29.936 1.00 0.12 C ATOM 1296 C TYR A 85 19.545 0.959 31.132 1.00 53.32 C ATOM 1297 O TYR A 85 20.398 1.831 30.972 1.00 4.10 O ATOM 1298 CB TYR A 85 19.785 -0.934 29.515 1.00 65.02 C ATOM 1299 CG TYR A 85 19.152 -1.802 28.451 1.00 24.31 C ATOM 1300 CD1 TYR A 85 17.772 -1.937 28.367 1.00 42.34 C ATOM 1301 CD2 TYR A 85 19.935 -2.488 27.530 1.00 51.32 C ATOM 1302 CE1 TYR A 85 17.190 -2.730 27.397 1.00 52.42 C ATOM 1303 CE2 TYR A 85 19.361 -3.282 26.556 1.00 41.43 C ATOM 1304 CZ TYR A 85 17.988 -3.400 26.494 1.00 43.24 C ATOM 1305 OH TYR A 85 17.412 -4.189 25.525 1.00 31.42 O ATOM 0 H TYR A 85 19.348 0.989 28.021 1.00 34.34 H new ATOM 0 HA TYR A 85 17.931 -0.115 30.230 1.00 0.12 H new ATOM 0 HB2 TYR A 85 20.740 -0.560 29.146 1.00 65.02 H new ATOM 0 HB3 TYR A 85 19.999 -1.546 30.391 1.00 65.02 H new ATOM 0 HD1 TYR A 85 17.143 -1.413 29.072 1.00 42.34 H new ATOM 0 HD2 TYR A 85 21.010 -2.399 27.577 1.00 51.32 H new ATOM 0 HE1 TYR A 85 16.115 -2.825 27.346 1.00 52.42 H new ATOM 0 HE2 TYR A 85 19.984 -3.807 25.847 1.00 41.43 H new ATOM 0 HH TYR A 85 16.882 -4.895 25.950 1.00 31.42 H new ATOM 1315 N ALA A 86 19.117 0.577 32.330 1.00 33.25 N ATOM 1316 CA ALA A 86 19.639 1.172 33.554 1.00 3.00 C ATOM 1317 C ALA A 86 20.633 0.239 34.238 1.00 61.05 C ATOM 1318 O ALA A 86 21.214 0.580 35.268 1.00 15.33 O ATOM 1319 CB ALA A 86 18.500 1.518 34.501 1.00 32.11 C ATOM 0 H ALA A 86 18.410 -0.142 32.479 1.00 33.25 H new ATOM 0 HA ALA A 86 20.165 2.088 33.287 1.00 3.00 H new ATOM 0 HB1 ALA A 86 18.905 1.961 35.411 1.00 32.11 H new ATOM 0 HB2 ALA A 86 17.829 2.229 34.019 1.00 32.11 H new ATOM 0 HB3 ALA A 86 17.949 0.612 34.753 1.00 32.11 H new ATOM 1325 N LYS A 87 20.824 -0.941 33.658 1.00 65.12 N ATOM 1326 CA LYS A 87 21.748 -1.925 34.210 1.00 5.40 C ATOM 1327 C LYS A 87 22.386 -2.756 33.101 1.00 55.42 C ATOM 1328 O LYS A 87 21.913 -2.758 31.965 1.00 74.02 O ATOM 1329 CB LYS A 87 21.020 -2.842 35.195 1.00 4.01 C ATOM 1330 CG LYS A 87 21.442 -2.639 36.640 1.00 31.32 C ATOM 1331 CD LYS A 87 22.825 -3.211 36.903 1.00 32.42 C ATOM 1332 CE LYS A 87 22.835 -4.727 36.772 1.00 44.33 C ATOM 1333 NZ LYS A 87 23.884 -5.350 37.626 1.00 60.23 N ATOM 0 H LYS A 87 20.351 -1.239 32.805 1.00 65.12 H new ATOM 0 HA LYS A 87 22.537 -1.389 34.737 1.00 5.40 H new ATOM 0 HB2 LYS A 87 19.947 -2.672 35.111 1.00 4.01 H new ATOM 0 HB3 LYS A 87 21.201 -3.880 34.915 1.00 4.01 H new ATOM 0 HG2 LYS A 87 21.437 -1.575 36.875 1.00 31.32 H new ATOM 0 HG3 LYS A 87 20.718 -3.115 37.302 1.00 31.32 H new ATOM 0 HD2 LYS A 87 23.538 -2.779 36.201 1.00 32.42 H new ATOM 0 HD3 LYS A 87 23.152 -2.929 37.904 1.00 32.42 H new ATOM 0 HE2 LYS A 87 21.858 -5.122 37.050 1.00 44.33 H new ATOM 0 HE3 LYS A 87 23.005 -5.001 35.731 1.00 44.33 H new ATOM 0 HZ1 LYS A 87 23.859 -6.383 37.509 1.00 60.23 H new ATOM 0 HZ2 LYS A 87 24.819 -4.992 37.344 1.00 60.23 H new ATOM 0 HZ3 LYS A 87 23.708 -5.110 38.623 1.00 60.23 H new ATOM 1347 N ALA A 88 23.460 -3.461 33.439 1.00 40.12 N ATOM 1348 CA ALA A 88 24.159 -4.299 32.472 1.00 1.52 C ATOM 1349 C ALA A 88 23.791 -5.767 32.651 1.00 30.51 C ATOM 1350 O ALA A 88 24.100 -6.375 33.676 1.00 21.02 O ATOM 1351 CB ALA A 88 25.663 -4.110 32.601 1.00 44.11 C ATOM 0 H ALA A 88 23.865 -3.469 34.375 1.00 40.12 H new ATOM 0 HA ALA A 88 23.850 -3.994 31.472 1.00 1.52 H new ATOM 0 HB1 ALA A 88 26.173 -4.741 31.873 1.00 44.11 H new ATOM 0 HB2 ALA A 88 25.916 -3.066 32.416 1.00 44.11 H new ATOM 0 HB3 ALA A 88 25.980 -4.387 33.607 1.00 44.11 H new ATOM 1357 N VAL A 89 23.128 -6.333 31.647 1.00 21.23 N ATOM 1358 CA VAL A 89 22.718 -7.732 31.694 1.00 40.53 C ATOM 1359 C VAL A 89 22.543 -8.300 30.290 1.00 44.11 C ATOM 1360 O VAL A 89 22.002 -7.639 29.404 1.00 23.42 O ATOM 1361 CB VAL A 89 21.401 -7.905 32.473 1.00 10.43 C ATOM 1362 CG1 VAL A 89 21.663 -7.901 33.972 1.00 53.23 C ATOM 1363 CG2 VAL A 89 20.411 -6.814 32.094 1.00 74.10 C ATOM 0 H VAL A 89 22.863 -5.844 30.792 1.00 21.23 H new ATOM 0 HA VAL A 89 23.510 -8.277 32.208 1.00 40.53 H new ATOM 0 HB VAL A 89 20.965 -8.868 32.207 1.00 10.43 H new ATOM 0 HG11 VAL A 89 20.721 -8.024 34.506 1.00 53.23 H new ATOM 0 HG12 VAL A 89 22.334 -8.721 34.226 1.00 53.23 H new ATOM 0 HG13 VAL A 89 22.122 -6.955 34.259 1.00 53.23 H new ATOM 0 HG21 VAL A 89 19.486 -6.952 32.654 1.00 74.10 H new ATOM 0 HG22 VAL A 89 20.836 -5.839 32.330 1.00 74.10 H new ATOM 0 HG23 VAL A 89 20.200 -6.869 31.026 1.00 74.10 H new ATOM 1373 N GLY A 90 23.005 -9.531 30.094 1.00 25.30 N ATOM 1374 CA GLY A 90 22.891 -10.169 28.795 1.00 13.24 C ATOM 1375 C GLY A 90 21.792 -11.212 28.757 1.00 61.51 C ATOM 1376 O GLY A 90 21.869 -12.175 27.994 1.00 12.11 O ATOM 0 H GLY A 90 23.456 -10.098 30.812 1.00 25.30 H new ATOM 0 HA2 GLY A 90 22.695 -9.411 28.037 1.00 13.24 H new ATOM 0 HA3 GLY A 90 23.841 -10.637 28.539 1.00 13.24 H new ATOM 1380 N GLU A 91 20.768 -11.023 29.583 1.00 2.52 N ATOM 1381 CA GLU A 91 19.651 -11.958 29.642 1.00 51.34 C ATOM 1382 C GLU A 91 18.463 -11.437 28.838 1.00 51.11 C ATOM 1383 O GLU A 91 18.355 -10.247 28.542 1.00 42.41 O ATOM 1384 CB GLU A 91 19.233 -12.197 31.094 1.00 74.02 C ATOM 1385 CG GLU A 91 18.062 -11.337 31.540 1.00 72.44 C ATOM 1386 CD GLU A 91 17.939 -11.256 33.049 1.00 43.42 C ATOM 1387 OE1 GLU A 91 18.980 -11.106 33.722 1.00 42.42 O ATOM 1388 OE2 GLU A 91 16.801 -11.341 33.556 1.00 24.45 O ATOM 0 H GLU A 91 20.689 -10.231 30.221 1.00 2.52 H new ATOM 0 HA GLU A 91 19.977 -12.902 29.206 1.00 51.34 H new ATOM 0 HB2 GLU A 91 18.970 -13.247 31.219 1.00 74.02 H new ATOM 0 HB3 GLU A 91 20.085 -12.002 31.745 1.00 74.02 H new ATOM 0 HG2 GLU A 91 18.179 -10.332 31.134 1.00 72.44 H new ATOM 0 HG3 GLU A 91 17.139 -11.743 31.125 1.00 72.44 H new ATOM 1395 N PRO A 92 17.549 -12.349 28.475 1.00 30.11 N ATOM 1396 CA PRO A 92 16.352 -12.006 27.701 1.00 63.31 C ATOM 1397 C PRO A 92 15.354 -11.185 28.510 1.00 43.34 C ATOM 1398 O PRO A 92 15.380 -11.196 29.741 1.00 54.34 O ATOM 1399 CB PRO A 92 15.757 -13.371 27.345 1.00 43.12 C ATOM 1400 CG PRO A 92 16.249 -14.288 28.411 1.00 74.32 C ATOM 1401 CD PRO A 92 17.613 -13.785 28.793 1.00 22.52 C ATOM 0 HA PRO A 92 16.590 -11.390 26.834 1.00 63.31 H new ATOM 0 HB2 PRO A 92 14.668 -13.335 27.325 1.00 43.12 H new ATOM 0 HB3 PRO A 92 16.083 -13.700 26.358 1.00 43.12 H new ATOM 0 HG2 PRO A 92 15.577 -14.284 29.269 1.00 74.32 H new ATOM 0 HG3 PRO A 92 16.299 -15.315 28.050 1.00 74.32 H new ATOM 0 HD2 PRO A 92 17.822 -13.954 29.849 1.00 22.52 H new ATOM 0 HD3 PRO A 92 18.399 -14.287 28.229 1.00 22.52 H new ATOM 1409 N TYR A 93 14.477 -10.474 27.811 1.00 53.43 N ATOM 1410 CA TYR A 93 13.471 -9.645 28.464 1.00 1.54 C ATOM 1411 C TYR A 93 12.178 -9.617 27.655 1.00 31.14 C ATOM 1412 O TYR A 93 12.144 -10.045 26.501 1.00 34.25 O ATOM 1413 CB TYR A 93 13.998 -8.221 28.653 1.00 12.03 C ATOM 1414 CG TYR A 93 14.975 -7.790 27.583 1.00 52.21 C ATOM 1415 CD1 TYR A 93 16.319 -8.132 27.663 1.00 2.04 C ATOM 1416 CD2 TYR A 93 14.554 -7.040 26.492 1.00 41.42 C ATOM 1417 CE1 TYR A 93 17.216 -7.740 26.688 1.00 13.22 C ATOM 1418 CE2 TYR A 93 15.443 -6.644 25.511 1.00 23.42 C ATOM 1419 CZ TYR A 93 16.773 -6.997 25.614 1.00 51.40 C ATOM 1420 OH TYR A 93 17.662 -6.604 24.640 1.00 50.40 O ATOM 0 H TYR A 93 14.442 -10.455 26.792 1.00 53.43 H new ATOM 0 HA TYR A 93 13.258 -10.080 29.441 1.00 1.54 H new ATOM 0 HB2 TYR A 93 13.156 -7.529 28.664 1.00 12.03 H new ATOM 0 HB3 TYR A 93 14.483 -8.148 29.627 1.00 12.03 H new ATOM 0 HD1 TYR A 93 16.669 -8.715 28.502 1.00 2.04 H new ATOM 0 HD2 TYR A 93 13.514 -6.762 26.409 1.00 41.42 H new ATOM 0 HE1 TYR A 93 18.258 -8.014 26.766 1.00 13.22 H new ATOM 0 HE2 TYR A 93 15.099 -6.062 24.669 1.00 23.42 H new ATOM 0 HH TYR A 93 17.697 -5.625 24.605 1.00 50.40 H new ATOM 1430 N LYS A 94 11.114 -9.110 28.269 1.00 4.44 N ATOM 1431 CA LYS A 94 9.818 -9.023 27.608 1.00 13.14 C ATOM 1432 C LYS A 94 9.521 -7.590 27.179 1.00 53.32 C ATOM 1433 O LYS A 94 9.927 -6.635 27.843 1.00 50.04 O ATOM 1434 CB LYS A 94 8.713 -9.527 28.540 1.00 52.32 C ATOM 1435 CG LYS A 94 7.457 -9.970 27.810 1.00 53.44 C ATOM 1436 CD LYS A 94 6.282 -9.056 28.116 1.00 41.42 C ATOM 1437 CE LYS A 94 5.553 -9.489 29.379 1.00 44.43 C ATOM 1438 NZ LYS A 94 5.217 -8.329 30.250 1.00 12.11 N ATOM 0 H LYS A 94 11.124 -8.753 29.224 1.00 4.44 H new ATOM 0 HA LYS A 94 9.849 -9.651 26.718 1.00 13.14 H new ATOM 0 HB2 LYS A 94 9.096 -10.362 29.126 1.00 52.32 H new ATOM 0 HB3 LYS A 94 8.454 -8.736 29.244 1.00 52.32 H new ATOM 0 HG2 LYS A 94 7.643 -9.978 26.736 1.00 53.44 H new ATOM 0 HG3 LYS A 94 7.209 -10.992 28.098 1.00 53.44 H new ATOM 0 HD2 LYS A 94 6.637 -8.032 28.232 1.00 41.42 H new ATOM 0 HD3 LYS A 94 5.588 -9.059 27.275 1.00 41.42 H new ATOM 0 HE2 LYS A 94 4.639 -10.017 29.108 1.00 44.43 H new ATOM 0 HE3 LYS A 94 6.174 -10.192 29.934 1.00 44.43 H new ATOM 0 HZ1 LYS A 94 4.721 -8.665 31.100 1.00 12.11 H new ATOM 0 HZ2 LYS A 94 6.091 -7.840 30.530 1.00 12.11 H new ATOM 0 HZ3 LYS A 94 4.603 -7.670 29.729 1.00 12.11 H new ATOM 1452 N LEU A 95 8.809 -7.446 26.066 1.00 1.03 N ATOM 1453 CA LEU A 95 8.456 -6.128 25.549 1.00 70.51 C ATOM 1454 C LEU A 95 6.943 -5.977 25.433 1.00 13.43 C ATOM 1455 O LEU A 95 6.235 -6.930 25.108 1.00 64.23 O ATOM 1456 CB LEU A 95 9.108 -5.903 24.184 1.00 63.43 C ATOM 1457 CG LEU A 95 9.029 -4.481 23.628 1.00 0.13 C ATOM 1458 CD1 LEU A 95 10.123 -4.249 22.598 1.00 52.44 C ATOM 1459 CD2 LEU A 95 7.658 -4.221 23.021 1.00 31.04 C ATOM 0 H LEU A 95 8.465 -8.225 25.505 1.00 1.03 H new ATOM 0 HA LEU A 95 8.825 -5.379 26.249 1.00 70.51 H new ATOM 0 HB2 LEU A 95 10.158 -6.186 24.254 1.00 63.43 H new ATOM 0 HB3 LEU A 95 8.643 -6.579 23.466 1.00 63.43 H new ATOM 0 HG LEU A 95 9.179 -3.781 24.450 1.00 0.13 H new ATOM 0 HD11 LEU A 95 10.051 -3.232 22.213 1.00 52.44 H new ATOM 0 HD12 LEU A 95 11.098 -4.392 23.064 1.00 52.44 H new ATOM 0 HD13 LEU A 95 10.006 -4.956 21.777 1.00 52.44 H new ATOM 0 HD21 LEU A 95 7.620 -3.204 22.630 1.00 31.04 H new ATOM 0 HD22 LEU A 95 7.479 -4.928 22.211 1.00 31.04 H new ATOM 0 HD23 LEU A 95 6.892 -4.344 23.786 1.00 31.04 H new ATOM 1471 N VAL A 96 6.452 -4.770 25.700 1.00 20.34 N ATOM 1472 CA VAL A 96 5.023 -4.492 25.623 1.00 31.02 C ATOM 1473 C VAL A 96 4.757 -3.182 24.890 1.00 10.02 C ATOM 1474 O VAL A 96 5.116 -2.106 25.369 1.00 1.45 O ATOM 1475 CB VAL A 96 4.388 -4.421 27.025 1.00 64.31 C ATOM 1476 CG1 VAL A 96 2.874 -4.319 26.921 1.00 3.22 C ATOM 1477 CG2 VAL A 96 4.794 -5.630 27.854 1.00 34.43 C ATOM 0 H VAL A 96 7.023 -3.970 25.971 1.00 20.34 H new ATOM 0 HA VAL A 96 4.570 -5.314 25.069 1.00 31.02 H new ATOM 0 HB VAL A 96 4.754 -3.525 27.527 1.00 64.31 H new ATOM 0 HG11 VAL A 96 2.443 -4.270 27.921 1.00 3.22 H new ATOM 0 HG12 VAL A 96 2.607 -3.419 26.366 1.00 3.22 H new ATOM 0 HG13 VAL A 96 2.485 -5.195 26.401 1.00 3.22 H new ATOM 0 HG21 VAL A 96 4.337 -5.564 28.841 1.00 34.43 H new ATOM 0 HG22 VAL A 96 4.458 -6.541 27.358 1.00 34.43 H new ATOM 0 HG23 VAL A 96 5.879 -5.653 27.957 1.00 34.43 H new ATOM 1487 N LEU A 97 4.125 -3.280 23.726 1.00 41.21 N ATOM 1488 CA LEU A 97 3.810 -2.102 22.925 1.00 14.22 C ATOM 1489 C LEU A 97 2.301 -1.931 22.778 1.00 31.44 C ATOM 1490 O LEU A 97 1.576 -2.897 22.534 1.00 4.21 O ATOM 1491 CB LEU A 97 4.459 -2.210 21.544 1.00 32.54 C ATOM 1492 CG LEU A 97 5.529 -1.167 21.222 1.00 51.11 C ATOM 1493 CD1 LEU A 97 4.931 0.231 21.231 1.00 13.31 C ATOM 1494 CD2 LEU A 97 6.682 -1.262 22.210 1.00 30.23 C ATOM 0 H LEU A 97 3.820 -4.163 23.316 1.00 41.21 H new ATOM 0 HA LEU A 97 4.208 -1.227 23.439 1.00 14.22 H new ATOM 0 HB2 LEU A 97 4.905 -3.200 21.451 1.00 32.54 H new ATOM 0 HB3 LEU A 97 3.675 -2.142 20.790 1.00 32.54 H new ATOM 0 HG LEU A 97 5.916 -1.368 20.223 1.00 51.11 H new ATOM 0 HD11 LEU A 97 5.707 0.960 21.000 1.00 13.31 H new ATOM 0 HD12 LEU A 97 4.140 0.293 20.483 1.00 13.31 H new ATOM 0 HD13 LEU A 97 4.516 0.443 22.216 1.00 13.31 H new ATOM 0 HD21 LEU A 97 7.434 -0.512 21.965 1.00 30.23 H new ATOM 0 HD22 LEU A 97 6.311 -1.087 23.220 1.00 30.23 H new ATOM 0 HD23 LEU A 97 7.128 -2.255 22.154 1.00 30.23 H new ATOM 1506 N THR A 98 1.833 -0.696 22.927 1.00 52.12 N ATOM 1507 CA THR A 98 0.411 -0.398 22.810 1.00 71.12 C ATOM 1508 C THR A 98 0.175 0.815 21.917 1.00 32.04 C ATOM 1509 O THR A 98 0.705 1.897 22.171 1.00 31.11 O ATOM 1510 CB THR A 98 -0.224 -0.138 24.189 1.00 61.00 C ATOM 1511 OG1 THR A 98 0.254 -1.099 25.137 1.00 13.12 O ATOM 1512 CG2 THR A 98 -1.741 -0.209 24.108 1.00 13.42 C ATOM 0 H THR A 98 2.418 0.115 23.129 1.00 52.12 H new ATOM 0 HA THR A 98 -0.059 -1.273 22.361 1.00 71.12 H new ATOM 0 HB THR A 98 0.060 0.863 24.513 1.00 61.00 H new ATOM 0 HG1 THR A 98 -0.153 -0.926 26.012 1.00 13.12 H new ATOM 0 HG21 THR A 98 -2.167 -0.022 25.094 1.00 13.42 H new ATOM 0 HG22 THR A 98 -2.104 0.543 23.407 1.00 13.42 H new ATOM 0 HG23 THR A 98 -2.041 -1.199 23.765 1.00 13.42 H new ATOM 1520 N TYR A 99 -0.624 0.628 20.873 1.00 40.33 N ATOM 1521 CA TYR A 99 -0.929 1.708 19.941 1.00 21.13 C ATOM 1522 C TYR A 99 -2.410 2.071 19.994 1.00 61.42 C ATOM 1523 O TYR A 99 -3.276 1.199 19.927 1.00 63.41 O ATOM 1524 CB TYR A 99 -0.541 1.306 18.517 1.00 31.13 C ATOM 1525 CG TYR A 99 0.734 0.496 18.443 1.00 54.03 C ATOM 1526 CD1 TYR A 99 1.977 1.115 18.487 1.00 53.34 C ATOM 1527 CD2 TYR A 99 0.695 -0.888 18.327 1.00 0.03 C ATOM 1528 CE1 TYR A 99 3.144 0.380 18.418 1.00 20.31 C ATOM 1529 CE2 TYR A 99 1.857 -1.632 18.260 1.00 41.34 C ATOM 1530 CZ TYR A 99 3.079 -0.993 18.305 1.00 20.42 C ATOM 1531 OH TYR A 99 4.239 -1.731 18.237 1.00 51.34 O ATOM 0 H TYR A 99 -1.072 -0.261 20.650 1.00 40.33 H new ATOM 0 HA TYR A 99 -0.349 2.582 20.235 1.00 21.13 H new ATOM 0 HB2 TYR A 99 -1.354 0.729 18.077 1.00 31.13 H new ATOM 0 HB3 TYR A 99 -0.425 2.206 17.913 1.00 31.13 H new ATOM 0 HD1 TYR A 99 2.032 2.190 18.577 1.00 53.34 H new ATOM 0 HD2 TYR A 99 -0.260 -1.391 18.289 1.00 0.03 H new ATOM 0 HE1 TYR A 99 4.102 0.877 18.452 1.00 20.31 H new ATOM 0 HE2 TYR A 99 1.809 -2.707 18.173 1.00 41.34 H new ATOM 0 HH TYR A 99 4.017 -2.683 18.161 1.00 51.34 H new ATOM 1541 N GLN A 100 -2.692 3.364 20.113 1.00 23.03 N ATOM 1542 CA GLN A 100 -4.067 3.843 20.175 1.00 55.00 C ATOM 1543 C GLN A 100 -4.161 5.291 19.706 1.00 53.05 C ATOM 1544 O GLN A 100 -3.483 6.171 20.234 1.00 30.33 O ATOM 1545 CB GLN A 100 -4.609 3.720 21.600 1.00 11.43 C ATOM 1546 CG GLN A 100 -5.944 4.418 21.806 1.00 1.10 C ATOM 1547 CD GLN A 100 -6.447 4.308 23.232 1.00 64.51 C ATOM 1548 OE1 GLN A 100 -5.954 3.495 24.015 1.00 71.42 O ATOM 1549 NE2 GLN A 100 -7.433 5.127 23.578 1.00 63.15 N ATOM 0 H GLN A 100 -1.986 4.099 20.168 1.00 23.03 H new ATOM 0 HA GLN A 100 -4.670 3.225 19.510 1.00 55.00 H new ATOM 0 HB2 GLN A 100 -4.718 2.664 21.848 1.00 11.43 H new ATOM 0 HB3 GLN A 100 -3.880 4.137 22.294 1.00 11.43 H new ATOM 0 HG2 GLN A 100 -5.844 5.470 21.540 1.00 1.10 H new ATOM 0 HG3 GLN A 100 -6.683 3.987 21.130 1.00 1.10 H new ATOM 0 HE21 GLN A 100 -7.812 5.785 22.897 1.00 63.15 H new ATOM 0 HE22 GLN A 100 -7.812 5.098 24.525 1.00 63.15 H new ATOM 1558 N GLY A 101 -5.007 5.531 18.708 1.00 50.20 N ATOM 1559 CA GLY A 101 -5.173 6.874 18.184 1.00 55.14 C ATOM 1560 C GLY A 101 -6.439 7.023 17.362 1.00 2.24 C ATOM 1561 O GLY A 101 -7.403 6.282 17.555 1.00 43.21 O ATOM 0 H GLY A 101 -5.580 4.820 18.254 1.00 50.20 H new ATOM 0 HA2 GLY A 101 -5.195 7.583 19.011 1.00 55.14 H new ATOM 0 HA3 GLY A 101 -4.311 7.129 17.568 1.00 55.14 H new ATOM 1565 N SER A 102 -6.437 7.985 16.445 1.00 72.00 N ATOM 1566 CA SER A 102 -7.596 8.233 15.595 1.00 30.32 C ATOM 1567 C SER A 102 -7.162 8.652 14.194 1.00 73.22 C ATOM 1568 O SER A 102 -6.012 9.032 13.976 1.00 73.43 O ATOM 1569 CB SER A 102 -8.485 9.315 16.211 1.00 22.13 C ATOM 1570 OG SER A 102 -8.923 10.236 15.228 1.00 41.04 O ATOM 0 H SER A 102 -5.646 8.605 16.271 1.00 72.00 H new ATOM 0 HA SER A 102 -8.165 7.306 15.519 1.00 30.32 H new ATOM 0 HB2 SER A 102 -9.348 8.852 16.690 1.00 22.13 H new ATOM 0 HB3 SER A 102 -7.934 9.843 16.989 1.00 22.13 H new ATOM 0 HG SER A 102 -8.464 11.092 15.354 1.00 41.04 H new ATOM 1576 N ALA A 103 -8.092 8.579 13.247 1.00 12.40 N ATOM 1577 CA ALA A 103 -7.808 8.953 11.867 1.00 60.30 C ATOM 1578 C ALA A 103 -7.977 10.454 11.658 1.00 32.33 C ATOM 1579 O ALA A 103 -8.895 11.065 12.204 1.00 50.32 O ATOM 1580 CB ALA A 103 -8.710 8.181 10.915 1.00 25.41 C ATOM 0 H ALA A 103 -9.048 8.264 13.410 1.00 12.40 H new ATOM 0 HA ALA A 103 -6.770 8.698 11.654 1.00 60.30 H new ATOM 0 HB1 ALA A 103 -8.487 8.470 9.888 1.00 25.41 H new ATOM 0 HB2 ALA A 103 -8.537 7.112 11.037 1.00 25.41 H new ATOM 0 HB3 ALA A 103 -9.753 8.408 11.138 1.00 25.41 H new ATOM 1586 N GLU A 104 -7.085 11.041 10.866 1.00 34.31 N ATOM 1587 CA GLU A 104 -7.137 12.471 10.588 1.00 45.23 C ATOM 1588 C GLU A 104 -8.479 12.858 9.973 1.00 4.21 C ATOM 1589 O GLU A 104 -8.884 14.019 10.022 1.00 11.04 O ATOM 1590 CB GLU A 104 -5.998 12.871 9.647 1.00 10.20 C ATOM 1591 CG GLU A 104 -5.028 13.870 10.256 1.00 54.45 C ATOM 1592 CD GLU A 104 -4.713 15.022 9.320 1.00 34.51 C ATOM 1593 OE1 GLU A 104 -5.561 15.929 9.189 1.00 42.11 O ATOM 1594 OE2 GLU A 104 -3.618 15.014 8.719 1.00 14.33 O ATOM 0 H GLU A 104 -6.319 10.549 10.406 1.00 34.31 H new ATOM 0 HA GLU A 104 -7.023 13.003 11.532 1.00 45.23 H new ATOM 0 HB2 GLU A 104 -5.449 11.976 9.354 1.00 10.20 H new ATOM 0 HB3 GLU A 104 -6.422 13.297 8.738 1.00 10.20 H new ATOM 0 HG2 GLU A 104 -5.450 14.263 11.181 1.00 54.45 H new ATOM 0 HG3 GLU A 104 -4.103 13.358 10.520 1.00 54.45 H new ATOM 1601 N ALA A 105 -9.162 11.877 9.394 1.00 74.11 N ATOM 1602 CA ALA A 105 -10.459 12.113 8.771 1.00 42.42 C ATOM 1603 C ALA A 105 -11.550 12.287 9.822 1.00 4.41 C ATOM 1604 O ALA A 105 -12.538 12.984 9.596 1.00 73.54 O ATOM 1605 CB ALA A 105 -10.808 10.971 7.829 1.00 31.40 C ATOM 0 H ALA A 105 -8.839 10.911 9.343 1.00 74.11 H new ATOM 0 HA ALA A 105 -10.395 13.037 8.196 1.00 42.42 H new ATOM 0 HB1 ALA A 105 -11.779 11.161 7.371 1.00 31.40 H new ATOM 0 HB2 ALA A 105 -10.048 10.896 7.051 1.00 31.40 H new ATOM 0 HB3 ALA A 105 -10.847 10.037 8.389 1.00 31.40 H new ATOM 1611 N GLY A 106 -11.363 11.649 10.973 1.00 21.24 N ATOM 1612 CA GLY A 106 -12.340 11.745 12.042 1.00 10.31 C ATOM 1613 C GLY A 106 -12.862 10.390 12.474 1.00 34.42 C ATOM 1614 O GLY A 106 -14.059 10.223 12.709 1.00 14.43 O ATOM 0 H GLY A 106 -10.552 11.067 11.184 1.00 21.24 H new ATOM 0 HA2 GLY A 106 -11.889 12.247 12.898 1.00 10.31 H new ATOM 0 HA3 GLY A 106 -13.174 12.364 11.713 1.00 10.31 H new ATOM 1618 N VAL A 107 -11.963 9.416 12.578 1.00 52.12 N ATOM 1619 CA VAL A 107 -12.340 8.067 12.984 1.00 41.41 C ATOM 1620 C VAL A 107 -11.625 7.660 14.267 1.00 2.02 C ATOM 1621 O VAL A 107 -10.463 8.010 14.480 1.00 32.35 O ATOM 1622 CB VAL A 107 -12.020 7.040 11.882 1.00 23.43 C ATOM 1623 CG1 VAL A 107 -12.268 5.625 12.383 1.00 31.03 C ATOM 1624 CG2 VAL A 107 -12.841 7.324 10.634 1.00 72.20 C ATOM 0 H VAL A 107 -10.968 9.536 12.387 1.00 52.12 H new ATOM 0 HA VAL A 107 -13.416 8.077 13.159 1.00 41.41 H new ATOM 0 HB VAL A 107 -10.965 7.128 11.622 1.00 23.43 H new ATOM 0 HG11 VAL A 107 -12.037 4.913 11.591 1.00 31.03 H new ATOM 0 HG12 VAL A 107 -11.632 5.428 13.246 1.00 31.03 H new ATOM 0 HG13 VAL A 107 -13.314 5.519 12.672 1.00 31.03 H new ATOM 0 HG21 VAL A 107 -12.602 6.588 9.866 1.00 72.20 H new ATOM 0 HG22 VAL A 107 -13.902 7.265 10.875 1.00 72.20 H new ATOM 0 HG23 VAL A 107 -12.608 8.323 10.265 1.00 72.20 H new ATOM 1634 N CYS A 108 -12.325 6.919 15.118 1.00 13.04 N ATOM 1635 CA CYS A 108 -11.757 6.463 16.382 1.00 14.43 C ATOM 1636 C CYS A 108 -11.769 4.941 16.466 1.00 63.41 C ATOM 1637 O CYS A 108 -12.827 4.314 16.416 1.00 73.33 O ATOM 1638 CB CYS A 108 -12.535 7.057 17.558 1.00 31.40 C ATOM 1639 SG CYS A 108 -14.328 6.859 17.432 1.00 50.42 S ATOM 0 H CYS A 108 -13.287 6.621 14.956 1.00 13.04 H new ATOM 0 HA CYS A 108 -10.723 6.803 16.431 1.00 14.43 H new ATOM 0 HB2 CYS A 108 -12.192 6.588 18.480 1.00 31.40 H new ATOM 0 HB3 CYS A 108 -12.302 8.119 17.635 1.00 31.40 H new ATOM 0 HG CYS A 108 -14.602 5.680 16.958 1.00 50.42 H new ATOM 1645 N TYR A 109 -10.585 4.352 16.592 1.00 62.41 N ATOM 1646 CA TYR A 109 -10.458 2.902 16.678 1.00 22.41 C ATOM 1647 C TYR A 109 -9.974 2.478 18.062 1.00 51.42 C ATOM 1648 O TYR A 109 -9.402 3.266 18.815 1.00 23.14 O ATOM 1649 CB TYR A 109 -9.492 2.389 15.609 1.00 64.21 C ATOM 1650 CG TYR A 109 -8.319 3.310 15.361 1.00 45.00 C ATOM 1651 CD1 TYR A 109 -8.423 4.378 14.478 1.00 72.44 C ATOM 1652 CD2 TYR A 109 -7.106 3.113 16.009 1.00 65.51 C ATOM 1653 CE1 TYR A 109 -7.354 5.222 14.247 1.00 21.53 C ATOM 1654 CE2 TYR A 109 -6.032 3.952 15.786 1.00 44.22 C ATOM 1655 CZ TYR A 109 -6.161 5.005 14.904 1.00 5.01 C ATOM 1656 OH TYR A 109 -5.093 5.843 14.678 1.00 24.11 O ATOM 0 H TYR A 109 -9.700 4.856 16.637 1.00 62.41 H new ATOM 0 HA TYR A 109 -11.443 2.466 16.508 1.00 22.41 H new ATOM 0 HB2 TYR A 109 -9.118 1.410 15.909 1.00 64.21 H new ATOM 0 HB3 TYR A 109 -10.037 2.249 14.676 1.00 64.21 H new ATOM 0 HD1 TYR A 109 -9.356 4.551 13.963 1.00 72.44 H new ATOM 0 HD2 TYR A 109 -7.001 2.289 16.699 1.00 65.51 H new ATOM 0 HE1 TYR A 109 -7.452 6.046 13.556 1.00 21.53 H new ATOM 0 HE2 TYR A 109 -5.096 3.785 16.299 1.00 44.22 H new ATOM 0 HH TYR A 109 -4.329 5.553 15.219 1.00 24.11 H new ATOM 1666 N PRO A 110 -10.209 1.203 18.405 1.00 43.12 N ATOM 1667 CA PRO A 110 -9.804 0.644 19.698 1.00 14.13 C ATOM 1668 C PRO A 110 -8.291 0.501 19.821 1.00 52.44 C ATOM 1669 O PRO A 110 -7.559 0.533 18.832 1.00 45.23 O ATOM 1670 CB PRO A 110 -10.474 -0.732 19.715 1.00 74.11 C ATOM 1671 CG PRO A 110 -10.644 -1.088 18.278 1.00 33.13 C ATOM 1672 CD PRO A 110 -10.886 0.208 17.556 1.00 11.52 C ATOM 0 HA PRO A 110 -10.096 1.287 20.529 1.00 14.13 H new ATOM 0 HB2 PRO A 110 -9.858 -1.466 20.235 1.00 74.11 H new ATOM 0 HB3 PRO A 110 -11.434 -0.699 20.231 1.00 74.11 H new ATOM 0 HG2 PRO A 110 -9.756 -1.589 17.893 1.00 33.13 H new ATOM 0 HG3 PRO A 110 -11.481 -1.773 18.142 1.00 33.13 H new ATOM 0 HD2 PRO A 110 -10.471 0.190 16.548 1.00 11.52 H new ATOM 0 HD3 PRO A 110 -11.951 0.421 17.458 1.00 11.52 H new ATOM 1680 N PRO A 111 -7.810 0.340 21.062 1.00 23.30 N ATOM 1681 CA PRO A 111 -6.379 0.188 21.343 1.00 61.34 C ATOM 1682 C PRO A 111 -5.830 -1.147 20.850 1.00 33.25 C ATOM 1683 O PRO A 111 -6.557 -2.138 20.772 1.00 52.43 O ATOM 1684 CB PRO A 111 -6.307 0.265 22.870 1.00 43.34 C ATOM 1685 CG PRO A 111 -7.652 -0.173 23.335 1.00 32.32 C ATOM 1686 CD PRO A 111 -8.625 0.292 22.287 1.00 10.23 C ATOM 0 HA PRO A 111 -5.781 0.946 20.836 1.00 61.34 H new ATOM 0 HB2 PRO A 111 -5.522 -0.382 23.262 1.00 43.34 H new ATOM 0 HB3 PRO A 111 -6.083 1.278 23.205 1.00 43.34 H new ATOM 0 HG2 PRO A 111 -7.691 -1.256 23.451 1.00 32.32 H new ATOM 0 HG3 PRO A 111 -7.889 0.260 24.307 1.00 32.32 H new ATOM 0 HD2 PRO A 111 -9.464 -0.396 22.185 1.00 10.23 H new ATOM 0 HD3 PRO A 111 -9.042 1.269 22.531 1.00 10.23 H new ATOM 1694 N VAL A 112 -4.543 -1.167 20.521 1.00 63.24 N ATOM 1695 CA VAL A 112 -3.896 -2.381 20.037 1.00 31.45 C ATOM 1696 C VAL A 112 -2.674 -2.726 20.881 1.00 44.22 C ATOM 1697 O VAL A 112 -1.686 -1.990 20.891 1.00 74.31 O ATOM 1698 CB VAL A 112 -3.467 -2.241 18.565 1.00 51.12 C ATOM 1699 CG1 VAL A 112 -3.002 -3.580 18.014 1.00 73.31 C ATOM 1700 CG2 VAL A 112 -4.607 -1.678 17.730 1.00 72.24 C ATOM 0 H VAL A 112 -3.927 -0.356 20.581 1.00 63.24 H new ATOM 0 HA VAL A 112 -4.629 -3.184 20.118 1.00 31.45 H new ATOM 0 HB VAL A 112 -2.630 -1.544 18.513 1.00 51.12 H new ATOM 0 HG11 VAL A 112 -2.703 -3.461 16.973 1.00 73.31 H new ATOM 0 HG12 VAL A 112 -2.153 -3.938 18.597 1.00 73.31 H new ATOM 0 HG13 VAL A 112 -3.816 -4.302 18.077 1.00 73.31 H new ATOM 0 HG21 VAL A 112 -4.287 -1.586 16.692 1.00 72.24 H new ATOM 0 HG22 VAL A 112 -5.465 -2.348 17.787 1.00 72.24 H new ATOM 0 HG23 VAL A 112 -4.887 -0.696 18.112 1.00 72.24 H new ATOM 1710 N ASP A 113 -2.746 -3.849 21.587 1.00 54.31 N ATOM 1711 CA ASP A 113 -1.645 -4.293 22.433 1.00 3.40 C ATOM 1712 C ASP A 113 -0.833 -5.383 21.741 1.00 71.03 C ATOM 1713 O ASP A 113 -1.391 -6.292 21.124 1.00 12.54 O ATOM 1714 CB ASP A 113 -2.177 -4.807 23.771 1.00 23.43 C ATOM 1715 CG ASP A 113 -3.351 -3.994 24.279 1.00 31.10 C ATOM 1716 OD1 ASP A 113 -4.501 -4.327 23.924 1.00 15.02 O ATOM 1717 OD2 ASP A 113 -3.120 -3.025 25.032 1.00 61.12 O ATOM 0 H ASP A 113 -3.556 -4.469 21.590 1.00 54.31 H new ATOM 0 HA ASP A 113 -0.992 -3.439 22.615 1.00 3.40 H new ATOM 0 HB2 ASP A 113 -2.480 -5.848 23.662 1.00 23.43 H new ATOM 0 HB3 ASP A 113 -1.376 -4.784 24.510 1.00 23.43 H new ATOM 1722 N THR A 114 0.489 -5.287 21.845 1.00 12.43 N ATOM 1723 CA THR A 114 1.378 -6.263 21.228 1.00 54.33 C ATOM 1724 C THR A 114 2.676 -6.398 22.014 1.00 24.40 C ATOM 1725 O THR A 114 3.409 -5.426 22.191 1.00 23.00 O ATOM 1726 CB THR A 114 1.709 -5.879 19.773 1.00 30.41 C ATOM 1727 OG1 THR A 114 1.126 -4.611 19.456 1.00 54.32 O ATOM 1728 CG2 THR A 114 1.197 -6.935 18.805 1.00 33.22 C ATOM 0 H THR A 114 0.968 -4.542 22.351 1.00 12.43 H new ATOM 0 HA THR A 114 0.853 -7.218 21.234 1.00 54.33 H new ATOM 0 HB THR A 114 2.793 -5.814 19.675 1.00 30.41 H new ATOM 0 HG1 THR A 114 1.059 -4.516 18.483 1.00 54.32 H new ATOM 0 HG21 THR A 114 1.442 -6.642 17.784 1.00 33.22 H new ATOM 0 HG22 THR A 114 1.666 -7.893 19.030 1.00 33.22 H new ATOM 0 HG23 THR A 114 0.116 -7.027 18.906 1.00 33.22 H new ATOM 1736 N GLU A 115 2.955 -7.611 22.483 1.00 42.22 N ATOM 1737 CA GLU A 115 4.167 -7.872 23.251 1.00 70.14 C ATOM 1738 C GLU A 115 5.200 -8.608 22.403 1.00 64.04 C ATOM 1739 O GLU A 115 4.858 -9.483 21.607 1.00 33.01 O ATOM 1740 CB GLU A 115 3.839 -8.692 24.500 1.00 72.41 C ATOM 1741 CG GLU A 115 3.134 -7.895 25.584 1.00 10.41 C ATOM 1742 CD GLU A 115 1.686 -7.600 25.244 1.00 70.15 C ATOM 1743 OE1 GLU A 115 1.032 -8.471 24.633 1.00 34.53 O ATOM 1744 OE2 GLU A 115 1.207 -6.499 25.587 1.00 63.04 O ATOM 0 H GLU A 115 2.359 -8.427 22.345 1.00 42.22 H new ATOM 0 HA GLU A 115 4.588 -6.913 23.555 1.00 70.14 H new ATOM 0 HB2 GLU A 115 3.211 -9.536 24.215 1.00 72.41 H new ATOM 0 HB3 GLU A 115 4.763 -9.104 24.906 1.00 72.41 H new ATOM 0 HG2 GLU A 115 3.177 -8.448 26.522 1.00 10.41 H new ATOM 0 HG3 GLU A 115 3.665 -6.956 25.742 1.00 10.41 H new ATOM 1751 N PHE A 116 6.467 -8.246 22.578 1.00 20.31 N ATOM 1752 CA PHE A 116 7.551 -8.870 21.829 1.00 61.25 C ATOM 1753 C PHE A 116 8.588 -9.474 22.772 1.00 53.42 C ATOM 1754 O PHE A 116 9.090 -8.800 23.672 1.00 65.25 O ATOM 1755 CB PHE A 116 8.218 -7.846 20.908 1.00 70.45 C ATOM 1756 CG PHE A 116 7.251 -7.127 20.011 1.00 11.13 C ATOM 1757 CD1 PHE A 116 6.404 -7.835 19.173 1.00 3.44 C ATOM 1758 CD2 PHE A 116 7.189 -5.743 20.006 1.00 11.34 C ATOM 1759 CE1 PHE A 116 5.513 -7.176 18.348 1.00 50.33 C ATOM 1760 CE2 PHE A 116 6.299 -5.078 19.183 1.00 24.43 C ATOM 1761 CZ PHE A 116 5.461 -5.796 18.352 1.00 3.40 C ATOM 0 H PHE A 116 6.768 -7.524 23.232 1.00 20.31 H new ATOM 0 HA PHE A 116 7.126 -9.671 21.224 1.00 61.25 H new ATOM 0 HB2 PHE A 116 8.750 -7.114 21.516 1.00 70.45 H new ATOM 0 HB3 PHE A 116 8.963 -8.352 20.294 1.00 70.45 H new ATOM 0 HD1 PHE A 116 6.441 -8.914 19.165 1.00 3.44 H new ATOM 0 HD2 PHE A 116 7.843 -5.177 20.652 1.00 11.34 H new ATOM 0 HE1 PHE A 116 4.858 -7.740 17.700 1.00 50.33 H new ATOM 0 HE2 PHE A 116 6.259 -3.999 19.190 1.00 24.43 H new ATOM 0 HZ PHE A 116 4.766 -5.279 17.707 1.00 3.40 H new ATOM 1771 N ASP A 117 8.902 -10.747 22.559 1.00 13.24 N ATOM 1772 CA ASP A 117 9.878 -11.442 23.390 1.00 64.25 C ATOM 1773 C ASP A 117 11.291 -11.241 22.850 1.00 22.40 C ATOM 1774 O ASP A 117 11.638 -11.754 21.785 1.00 0.24 O ATOM 1775 CB ASP A 117 9.552 -12.935 23.456 1.00 1.14 C ATOM 1776 CG ASP A 117 8.060 -13.201 23.473 1.00 74.13 C ATOM 1777 OD1 ASP A 117 7.421 -12.931 24.511 1.00 55.13 O ATOM 1778 OD2 ASP A 117 7.531 -13.680 22.448 1.00 71.44 O ATOM 0 H ASP A 117 8.495 -11.318 21.818 1.00 13.24 H new ATOM 0 HA ASP A 117 9.828 -11.022 24.395 1.00 64.25 H new ATOM 0 HB2 ASP A 117 9.998 -13.440 22.599 1.00 1.14 H new ATOM 0 HB3 ASP A 117 10.005 -13.364 24.350 1.00 1.14 H new ATOM 1783 N ILE A 118 12.101 -10.492 23.591 1.00 71.33 N ATOM 1784 CA ILE A 118 13.475 -10.224 23.186 1.00 24.24 C ATOM 1785 C ILE A 118 14.425 -11.286 23.730 1.00 64.13 C ATOM 1786 O ILE A 118 14.402 -11.606 24.918 1.00 1.45 O ATOM 1787 CB ILE A 118 13.944 -8.838 23.668 1.00 75.15 C ATOM 1788 CG1 ILE A 118 12.826 -7.808 23.491 1.00 73.34 C ATOM 1789 CG2 ILE A 118 15.192 -8.408 22.911 1.00 75.41 C ATOM 1790 CD1 ILE A 118 12.369 -7.653 22.057 1.00 10.40 C ATOM 0 H ILE A 118 11.829 -10.060 24.474 1.00 71.33 H new ATOM 0 HA ILE A 118 13.493 -10.246 22.096 1.00 24.24 H new ATOM 0 HB ILE A 118 14.190 -8.902 24.728 1.00 75.15 H new ATOM 0 HG12 ILE A 118 11.974 -8.099 24.106 1.00 73.34 H new ATOM 0 HG13 ILE A 118 13.171 -6.842 23.860 1.00 73.34 H new ATOM 0 HG21 ILE A 118 15.511 -7.427 23.263 1.00 75.41 H new ATOM 0 HG22 ILE A 118 15.989 -9.132 23.082 1.00 75.41 H new ATOM 0 HG23 ILE A 118 14.971 -8.357 21.845 1.00 75.41 H new ATOM 0 HD11 ILE A 118 11.576 -6.907 22.007 1.00 10.40 H new ATOM 0 HD12 ILE A 118 13.208 -7.332 21.440 1.00 10.40 H new ATOM 0 HD13 ILE A 118 11.993 -8.608 21.690 1.00 10.40 H new ATOM 1802 N PHE A 119 15.262 -11.829 22.851 1.00 1.34 N ATOM 1803 CA PHE A 119 16.222 -12.854 23.243 1.00 71.52 C ATOM 1804 C PHE A 119 17.364 -12.944 22.235 1.00 52.14 C ATOM 1805 O PHE A 119 17.962 -14.003 22.050 1.00 2.11 O ATOM 1806 CB PHE A 119 15.527 -14.212 23.366 1.00 65.44 C ATOM 1807 CG PHE A 119 14.427 -14.416 22.364 1.00 12.40 C ATOM 1808 CD1 PHE A 119 14.624 -14.109 21.027 1.00 34.51 C ATOM 1809 CD2 PHE A 119 13.196 -14.913 22.759 1.00 34.13 C ATOM 1810 CE1 PHE A 119 13.612 -14.295 20.104 1.00 41.23 C ATOM 1811 CE2 PHE A 119 12.180 -15.101 21.840 1.00 4.03 C ATOM 1812 CZ PHE A 119 12.389 -14.792 20.510 1.00 24.35 C ATOM 0 H PHE A 119 15.294 -11.576 21.863 1.00 1.34 H new ATOM 0 HA PHE A 119 16.637 -12.576 24.212 1.00 71.52 H new ATOM 0 HB2 PHE A 119 16.268 -15.002 23.246 1.00 65.44 H new ATOM 0 HB3 PHE A 119 15.115 -14.311 24.370 1.00 65.44 H new ATOM 0 HD1 PHE A 119 15.578 -13.720 20.703 1.00 34.51 H new ATOM 0 HD2 PHE A 119 13.028 -15.157 23.798 1.00 34.13 H new ATOM 0 HE1 PHE A 119 13.778 -14.052 19.065 1.00 41.23 H new ATOM 0 HE2 PHE A 119 11.225 -15.489 22.162 1.00 4.03 H new ATOM 0 HZ PHE A 119 11.598 -14.939 19.789 1.00 24.35 H new ATOM 1822 N GLY A 120 17.660 -11.823 21.584 1.00 52.14 N ATOM 1823 CA GLY A 120 18.728 -11.795 20.601 1.00 31.45 C ATOM 1824 C GLY A 120 18.218 -11.975 19.185 1.00 2.23 C ATOM 1825 O GLY A 120 17.838 -13.076 18.790 1.00 20.13 O ATOM 0 H GLY A 120 17.179 -10.934 21.720 1.00 52.14 H new ATOM 0 HA2 GLY A 120 19.260 -10.847 20.674 1.00 31.45 H new ATOM 0 HA3 GLY A 120 19.447 -12.582 20.828 1.00 31.45 H new ATOM 1829 N ASN A 121 18.209 -10.889 18.419 1.00 14.44 N ATOM 1830 CA ASN A 121 17.739 -10.931 17.039 1.00 2.33 C ATOM 1831 C ASN A 121 17.855 -9.558 16.383 1.00 22.22 C ATOM 1832 O ASN A 121 18.277 -9.442 15.233 1.00 1.24 O ATOM 1833 CB ASN A 121 16.288 -11.413 16.987 1.00 50.53 C ATOM 1834 CG ASN A 121 16.043 -12.385 15.850 1.00 73.45 C ATOM 1835 OD1 ASN A 121 15.612 -11.994 14.765 1.00 51.22 O ATOM 1836 ND2 ASN A 121 16.316 -13.662 16.094 1.00 44.33 N ATOM 0 H ASN A 121 18.522 -9.969 18.730 1.00 14.44 H new ATOM 0 HA ASN A 121 18.367 -11.631 16.488 1.00 2.33 H new ATOM 0 HB2 ASN A 121 16.033 -11.892 17.932 1.00 50.53 H new ATOM 0 HB3 ASN A 121 15.626 -10.554 16.876 1.00 50.53 H new ATOM 0 HD21 ASN A 121 16.170 -14.363 15.367 1.00 44.33 H new ATOM 0 HD22 ASN A 121 16.672 -13.942 17.008 1.00 44.33 H new ATOM 1843 N GLY A 122 17.478 -8.520 17.124 1.00 73.33 N ATOM 1844 CA GLY A 122 17.547 -7.169 16.598 1.00 63.51 C ATOM 1845 C GLY A 122 16.203 -6.667 16.111 1.00 52.03 C ATOM 1846 O GLY A 122 15.559 -5.850 16.771 1.00 24.50 O ATOM 0 H GLY A 122 17.126 -8.591 18.079 1.00 73.33 H new ATOM 0 HA2 GLY A 122 17.922 -6.500 17.372 1.00 63.51 H new ATOM 0 HA3 GLY A 122 18.262 -7.139 15.776 1.00 63.51 H new ATOM 1850 N THR A 123 15.776 -7.154 14.950 1.00 71.14 N ATOM 1851 CA THR A 123 14.501 -6.747 14.373 1.00 72.54 C ATOM 1852 C THR A 123 13.358 -7.605 14.905 1.00 2.40 C ATOM 1853 O THR A 123 13.432 -8.834 14.891 1.00 43.53 O ATOM 1854 CB THR A 123 14.525 -6.841 12.835 1.00 35.13 C ATOM 1855 OG1 THR A 123 15.877 -6.879 12.368 1.00 44.34 O ATOM 1856 CG2 THR A 123 13.799 -5.659 12.210 1.00 60.20 C ATOM 0 H THR A 123 16.295 -7.831 14.391 1.00 71.14 H new ATOM 0 HA THR A 123 14.339 -5.709 14.664 1.00 72.54 H new ATOM 0 HB THR A 123 14.014 -7.758 12.540 1.00 35.13 H new ATOM 0 HG1 THR A 123 15.884 -6.940 11.390 1.00 44.34 H new ATOM 0 HG21 THR A 123 13.829 -5.747 11.124 1.00 60.20 H new ATOM 0 HG22 THR A 123 12.762 -5.651 12.545 1.00 60.20 H new ATOM 0 HG23 THR A 123 14.286 -4.732 12.513 1.00 60.20 H new ATOM 1864 N TYR A 124 12.302 -6.949 15.374 1.00 61.34 N ATOM 1865 CA TYR A 124 11.144 -7.652 15.912 1.00 32.05 C ATOM 1866 C TYR A 124 9.847 -7.066 15.363 1.00 72.22 C ATOM 1867 O TYR A 124 9.688 -5.848 15.280 1.00 0.21 O ATOM 1868 CB TYR A 124 11.142 -7.579 17.440 1.00 21.23 C ATOM 1869 CG TYR A 124 12.307 -8.298 18.082 1.00 20.51 C ATOM 1870 CD1 TYR A 124 13.552 -7.690 18.187 1.00 71.13 C ATOM 1871 CD2 TYR A 124 12.163 -9.586 18.583 1.00 64.42 C ATOM 1872 CE1 TYR A 124 14.619 -8.343 18.772 1.00 64.54 C ATOM 1873 CE2 TYR A 124 13.225 -10.247 19.171 1.00 52.24 C ATOM 1874 CZ TYR A 124 14.451 -9.621 19.262 1.00 33.44 C ATOM 1875 OH TYR A 124 15.511 -10.276 19.846 1.00 71.41 O ATOM 0 H TYR A 124 12.224 -5.932 15.392 1.00 61.34 H new ATOM 0 HA TYR A 124 11.209 -8.696 15.604 1.00 32.05 H new ATOM 0 HB2 TYR A 124 11.159 -6.533 17.745 1.00 21.23 H new ATOM 0 HB3 TYR A 124 10.212 -8.006 17.815 1.00 21.23 H new ATOM 0 HD1 TYR A 124 13.688 -6.689 17.804 1.00 71.13 H new ATOM 0 HD2 TYR A 124 11.205 -10.079 18.512 1.00 64.42 H new ATOM 0 HE1 TYR A 124 15.580 -7.855 18.845 1.00 64.54 H new ATOM 0 HE2 TYR A 124 13.096 -11.247 19.557 1.00 52.24 H new ATOM 0 HH TYR A 124 16.110 -9.622 20.262 1.00 71.41 H new ATOM 1885 N HIS A 125 8.921 -7.943 14.988 1.00 32.35 N ATOM 1886 CA HIS A 125 7.636 -7.515 14.447 1.00 11.55 C ATOM 1887 C HIS A 125 6.514 -8.436 14.917 1.00 10.32 C ATOM 1888 O HIS A 125 6.727 -9.611 15.217 1.00 2.53 O ATOM 1889 CB HIS A 125 7.685 -7.489 12.920 1.00 72.35 C ATOM 1890 CG HIS A 125 8.523 -6.379 12.365 1.00 3.03 C ATOM 1891 ND1 HIS A 125 9.861 -6.173 12.408 1.00 71.42 N flip ATOM 1892 CD2 HIS A 125 7.995 -5.311 11.671 1.00 75.41 C flip ATOM 1893 CE1 HIS A 125 10.113 -4.998 11.744 1.00 71.13 C flip ATOM 1894 NE2 HIS A 125 8.971 -4.498 11.309 1.00 22.21 N flip ATOM 0 H HIS A 125 9.037 -8.955 15.049 1.00 32.35 H new ATOM 0 HA HIS A 125 7.433 -6.509 14.813 1.00 11.55 H new ATOM 0 HB2 HIS A 125 8.075 -8.442 12.561 1.00 72.35 H new ATOM 0 HB3 HIS A 125 6.670 -7.394 12.534 1.00 72.35 H new ATOM 0 HD2 HIS A 125 6.947 -5.162 11.457 1.00 75.41 H new ATOM 0 HE1 HIS A 125 11.087 -4.555 11.601 1.00 71.13 H new ATOM 0 HE2 HIS A 125 8.861 -3.631 10.783 1.00 22.21 H new ATOM 1902 N PRO A 126 5.290 -7.892 14.984 1.00 53.22 N ATOM 1903 CA PRO A 126 4.110 -8.647 15.417 1.00 64.35 C ATOM 1904 C PRO A 126 3.693 -9.703 14.399 1.00 72.32 C ATOM 1905 O PRO A 126 3.614 -9.427 13.202 1.00 22.21 O ATOM 1906 CB PRO A 126 3.028 -7.572 15.546 1.00 24.32 C ATOM 1907 CG PRO A 126 3.459 -6.488 14.620 1.00 51.12 C ATOM 1908 CD PRO A 126 4.962 -6.498 14.641 1.00 4.42 C ATOM 0 HA PRO A 126 4.294 -9.198 16.339 1.00 64.35 H new ATOM 0 HB2 PRO A 126 2.048 -7.962 15.271 1.00 24.32 H new ATOM 0 HB3 PRO A 126 2.950 -7.209 16.571 1.00 24.32 H new ATOM 0 HG2 PRO A 126 3.082 -6.663 13.612 1.00 51.12 H new ATOM 0 HG3 PRO A 126 3.071 -5.522 14.943 1.00 51.12 H new ATOM 0 HD2 PRO A 126 5.379 -6.213 13.675 1.00 4.42 H new ATOM 0 HD3 PRO A 126 5.358 -5.799 15.378 1.00 4.42 H new ATOM 1916 N GLN A 127 3.426 -10.912 14.883 1.00 61.13 N ATOM 1917 CA GLN A 127 3.017 -12.009 14.014 1.00 73.04 C ATOM 1918 C GLN A 127 1.500 -12.169 14.017 1.00 40.04 C ATOM 1919 O GLN A 127 0.981 -13.266 14.226 1.00 54.13 O ATOM 1920 CB GLN A 127 3.680 -13.314 14.457 1.00 30.05 C ATOM 1921 CG GLN A 127 3.472 -13.632 15.929 1.00 4.04 C ATOM 1922 CD GLN A 127 3.493 -15.121 16.213 1.00 2.04 C ATOM 1923 OE1 GLN A 127 2.636 -15.640 16.929 1.00 24.24 O ATOM 1924 NE2 GLN A 127 4.475 -15.817 15.652 1.00 33.31 N ATOM 0 H GLN A 127 3.486 -11.156 15.872 1.00 61.13 H new ATOM 0 HA GLN A 127 3.338 -11.774 12.999 1.00 73.04 H new ATOM 0 HB2 GLN A 127 3.286 -14.134 13.857 1.00 30.05 H new ATOM 0 HB3 GLN A 127 4.749 -13.256 14.254 1.00 30.05 H new ATOM 0 HG2 GLN A 127 4.250 -13.143 16.516 1.00 4.04 H new ATOM 0 HG3 GLN A 127 2.518 -13.217 16.255 1.00 4.04 H new ATOM 0 HE21 GLN A 127 5.164 -15.346 15.066 1.00 33.31 H new ATOM 0 HE22 GLN A 127 4.540 -16.823 15.807 1.00 33.31 H new ATOM 1933 N THR A 128 0.793 -11.067 13.783 1.00 21.45 N ATOM 1934 CA THR A 128 -0.664 -11.085 13.761 1.00 40.22 C ATOM 1935 C THR A 128 -1.228 -11.592 15.083 1.00 54.21 C ATOM 1936 O THR A 128 -1.191 -10.892 16.095 1.00 4.32 O ATOM 1937 CB THR A 128 -1.197 -11.967 12.616 1.00 15.40 C ATOM 1938 OG1 THR A 128 -0.221 -12.059 11.573 1.00 23.51 O ATOM 1939 CG2 THR A 128 -2.493 -11.400 12.055 1.00 32.13 C ATOM 0 H THR A 128 1.206 -10.151 13.606 1.00 21.45 H new ATOM 0 HA THR A 128 -0.991 -10.057 13.601 1.00 40.22 H new ATOM 0 HB THR A 128 -1.396 -12.961 13.016 1.00 15.40 H new ATOM 0 HG1 THR A 128 -0.567 -12.623 10.850 1.00 23.51 H new ATOM 0 HG21 THR A 128 -2.851 -12.039 11.248 1.00 32.13 H new ATOM 0 HG22 THR A 128 -3.244 -11.358 12.844 1.00 32.13 H new ATOM 0 HG23 THR A 128 -2.314 -10.396 11.670 1.00 32.13 H new TER 1947 THR A 128