USER MOD reduce.3.24.130724 H: found=0, std=0, add=950, rem=0, adj=27 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 165:sc= 0.551 USER MOD Set 1.2: A 39 TYR OH : rot 180:sc= 0 USER MOD Set 1.3: A 102 SER OG : rot -87:sc= 2.11 USER MOD Set 2.1: A 99 TYR OH : rot 30:sc= 0.817 USER MOD Set 2.2: A 114 THR OG1 : rot 142:sc= 1.62 USER MOD Set 3.1: A 85 TYR OH : rot -51:sc= 1.35 USER MOD Set 3.2: A 93 TYR OH : rot -86:sc= 1.1 USER MOD Set 4.1: A 40 GLN :FLIP amide:sc= -0.294 F(o=-2,f=-0.82) USER MOD Set 4.2: A 75 TYR OH : rot 67:sc= -0.53 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc=-0.00546 X(o=-0.0055,f=-0.14) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 TYR OH : rot 166:sc= 1.25 USER MOD Single : A 38 MET CE :methyl -170:sc= -4.67! (180deg=-5.97!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot -107:sc= -0.151 USER MOD Single : A 48 ASN : amide:sc= -4.76! C(o=-4.8!,f=-13!) USER MOD Single : A 55 GLN : amide:sc= -0.0947 X(o=-0.095,f=-0.026) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot -15:sc= 0.55 USER MOD Single : A 60 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.00557) USER MOD Single : A 64 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0142) USER MOD Single : A 72 GLN :FLIP amide:sc= -0.52 F(o=-1.7!,f=-0.52) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0271 USER MOD Single : A 76 HIS :FLIP no HD1:sc= -0.158 F(o=-1.6,f=-0.16) USER MOD Single : A 77 HIS : no HD1:sc= -0.131 X(o=-0.13,f=-0.5) USER MOD Single : A 80 GLN : amide:sc= -0.0124 K(o=-0.012,f=-1.8!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 168:sc= 0.197 (180deg=0.0503) USER MOD Single : A 98 THR OG1 : rot -34:sc= 0.112 USER MOD Single : A 100 GLN : amide:sc= -0.0457 K(o=-0.046,f=-0.99) USER MOD Single : A 108 CYS SG : rot 41:sc= -0.0355 USER MOD Single : A 109 TYR OH : rot -34:sc= 0.419 USER MOD Single : A 121 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 TYR OH : rot 100:sc= -0.938 USER MOD Single : A 125 HIS :FLIP no HD1:sc= -0.286 F(o=-1.3,f=-0.29) USER MOD Single : A 127 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 128 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.590 0.201 -7.089 1.00 40.40 N ATOM 2 CA MET A 1 -2.131 1.282 -6.224 1.00 24.21 C ATOM 3 C MET A 1 -2.377 0.945 -4.757 1.00 2.24 C ATOM 4 O MET A 1 -3.475 0.538 -4.379 1.00 60.35 O ATOM 5 CB MET A 1 -2.838 2.589 -6.585 1.00 55.10 C ATOM 6 CG MET A 1 -2.176 3.344 -7.726 1.00 60.32 C ATOM 7 SD MET A 1 -3.252 3.515 -9.163 1.00 12.23 S ATOM 8 CE MET A 1 -2.120 4.233 -10.350 1.00 42.13 C ATOM 0 H1 MET A 1 -2.413 0.452 -8.082 1.00 40.40 H new ATOM 0 H2 MET A 1 -2.076 -0.672 -6.856 1.00 40.40 H new ATOM 0 H3 MET A 1 -3.609 0.051 -6.947 1.00 40.40 H new ATOM 0 HA MET A 1 -1.059 1.405 -6.376 1.00 24.21 H new ATOM 0 HB2 MET A 1 -3.871 2.371 -6.856 1.00 55.10 H new ATOM 0 HB3 MET A 1 -2.868 3.231 -5.705 1.00 55.10 H new ATOM 0 HG2 MET A 1 -1.881 4.334 -7.378 1.00 60.32 H new ATOM 0 HG3 MET A 1 -1.264 2.824 -8.020 1.00 60.32 H new ATOM 0 HE1 MET A 1 -2.639 4.399 -11.294 1.00 42.13 H new ATOM 0 HE2 MET A 1 -1.748 5.184 -9.969 1.00 42.13 H new ATOM 0 HE3 MET A 1 -1.283 3.554 -10.511 1.00 42.13 H new ATOM 18 N ALA A 2 -1.348 1.118 -3.934 1.00 4.13 N ATOM 19 CA ALA A 2 -1.453 0.834 -2.508 1.00 14.21 C ATOM 20 C ALA A 2 -1.178 2.083 -1.678 1.00 3.15 C ATOM 21 O ALA A 2 -0.894 3.152 -2.220 1.00 73.02 O ATOM 22 CB ALA A 2 -0.495 -0.282 -2.120 1.00 34.24 C ATOM 0 H ALA A 2 -0.432 1.454 -4.231 1.00 4.13 H new ATOM 0 HA ALA A 2 -2.473 0.510 -2.301 1.00 14.21 H new ATOM 0 HB1 ALA A 2 -0.584 -0.483 -1.052 1.00 34.24 H new ATOM 0 HB2 ALA A 2 -0.740 -1.184 -2.681 1.00 34.24 H new ATOM 0 HB3 ALA A 2 0.527 0.020 -2.348 1.00 34.24 H new ATOM 28 N LEU A 3 -1.263 1.942 -0.359 1.00 52.04 N ATOM 29 CA LEU A 3 -1.023 3.060 0.547 1.00 74.22 C ATOM 30 C LEU A 3 -2.006 4.196 0.282 1.00 34.24 C ATOM 31 O LEU A 3 -1.763 5.056 -0.564 1.00 51.10 O ATOM 32 CB LEU A 3 0.412 3.566 0.395 1.00 51.42 C ATOM 33 CG LEU A 3 1.376 3.202 1.525 1.00 75.13 C ATOM 34 CD1 LEU A 3 1.937 1.804 1.318 1.00 73.35 C ATOM 35 CD2 LEU A 3 2.501 4.222 1.616 1.00 51.12 C ATOM 0 H LEU A 3 -1.496 1.065 0.106 1.00 52.04 H new ATOM 0 HA LEU A 3 -1.171 2.707 1.568 1.00 74.22 H new ATOM 0 HB2 LEU A 3 0.816 3.177 -0.540 1.00 51.42 H new ATOM 0 HB3 LEU A 3 0.385 4.652 0.303 1.00 51.42 H new ATOM 0 HG LEU A 3 0.825 3.215 2.465 1.00 75.13 H new ATOM 0 HD11 LEU A 3 2.621 1.562 2.132 1.00 73.35 H new ATOM 0 HD12 LEU A 3 1.120 1.083 1.304 1.00 73.35 H new ATOM 0 HD13 LEU A 3 2.473 1.764 0.370 1.00 73.35 H new ATOM 0 HD21 LEU A 3 3.177 3.947 2.425 1.00 51.12 H new ATOM 0 HD22 LEU A 3 3.051 4.242 0.675 1.00 51.12 H new ATOM 0 HD23 LEU A 3 2.082 5.209 1.813 1.00 51.12 H new ATOM 47 N ASP A 4 -3.116 4.193 1.013 1.00 2.21 N ATOM 48 CA ASP A 4 -4.135 5.225 0.860 1.00 45.40 C ATOM 49 C ASP A 4 -4.403 5.925 2.189 1.00 73.13 C ATOM 50 O ASP A 4 -5.523 5.900 2.699 1.00 24.45 O ATOM 51 CB ASP A 4 -5.429 4.618 0.318 1.00 33.43 C ATOM 52 CG ASP A 4 -5.373 4.372 -1.177 1.00 5.04 C ATOM 53 OD1 ASP A 4 -4.935 5.282 -1.912 1.00 2.24 O ATOM 54 OD2 ASP A 4 -5.765 3.269 -1.612 1.00 0.44 O ATOM 0 H ASP A 4 -3.333 3.488 1.717 1.00 2.21 H new ATOM 0 HA ASP A 4 -3.765 5.964 0.149 1.00 45.40 H new ATOM 0 HB2 ASP A 4 -5.628 3.677 0.831 1.00 33.43 H new ATOM 0 HB3 ASP A 4 -6.261 5.285 0.542 1.00 33.43 H new ATOM 59 N ALA A 5 -3.369 6.548 2.743 1.00 23.15 N ATOM 60 CA ALA A 5 -3.493 7.255 4.012 1.00 34.11 C ATOM 61 C ALA A 5 -4.682 8.210 3.994 1.00 72.22 C ATOM 62 O ALA A 5 -4.608 9.297 3.422 1.00 33.34 O ATOM 63 CB ALA A 5 -2.211 8.012 4.323 1.00 64.22 C ATOM 0 H ALA A 5 -2.435 6.578 2.333 1.00 23.15 H new ATOM 0 HA ALA A 5 -3.664 6.517 4.795 1.00 34.11 H new ATOM 0 HB1 ALA A 5 -2.319 8.535 5.273 1.00 64.22 H new ATOM 0 HB2 ALA A 5 -1.380 7.309 4.387 1.00 64.22 H new ATOM 0 HB3 ALA A 5 -2.014 8.735 3.531 1.00 64.22 H new ATOM 69 N ASN A 6 -5.778 7.796 4.622 1.00 24.25 N ATOM 70 CA ASN A 6 -6.983 8.615 4.677 1.00 31.21 C ATOM 71 C ASN A 6 -8.107 7.881 5.402 1.00 20.12 C ATOM 72 O ASN A 6 -9.281 8.034 5.065 1.00 71.21 O ATOM 73 CB ASN A 6 -7.433 8.992 3.264 1.00 33.51 C ATOM 74 CG ASN A 6 -7.709 10.476 3.122 1.00 70.13 C ATOM 75 OD1 ASN A 6 -8.303 11.096 4.004 1.00 23.22 O ATOM 76 ND2 ASN A 6 -7.278 11.053 2.006 1.00 10.21 N ATOM 0 H ASN A 6 -5.856 6.898 5.100 1.00 24.25 H new ATOM 0 HA ASN A 6 -6.750 9.524 5.232 1.00 31.21 H new ATOM 0 HB2 ASN A 6 -6.663 8.698 2.550 1.00 33.51 H new ATOM 0 HB3 ASN A 6 -8.333 8.432 3.011 1.00 33.51 H new ATOM 0 HD21 ASN A 6 -7.435 12.049 1.853 1.00 10.21 H new ATOM 0 HD22 ASN A 6 -6.790 10.500 1.302 1.00 10.21 H new ATOM 83 N ASP A 7 -7.739 7.085 6.400 1.00 62.43 N ATOM 84 CA ASP A 7 -8.715 6.328 7.174 1.00 35.24 C ATOM 85 C ASP A 7 -9.475 5.349 6.284 1.00 40.31 C ATOM 86 O ASP A 7 -10.539 4.852 6.656 1.00 50.44 O ATOM 87 CB ASP A 7 -9.697 7.277 7.864 1.00 71.32 C ATOM 88 CG ASP A 7 -10.646 6.550 8.797 1.00 3.52 C ATOM 89 OD1 ASP A 7 -10.165 5.943 9.777 1.00 72.31 O ATOM 90 OD2 ASP A 7 -11.869 6.591 8.549 1.00 64.45 O ATOM 0 H ASP A 7 -6.771 6.947 6.692 1.00 62.43 H new ATOM 0 HA ASP A 7 -8.177 5.759 7.932 1.00 35.24 H new ATOM 0 HB2 ASP A 7 -9.140 8.025 8.428 1.00 71.32 H new ATOM 0 HB3 ASP A 7 -10.273 7.811 7.109 1.00 71.32 H new ATOM 95 N LEU A 8 -8.923 5.078 5.107 1.00 65.42 N ATOM 96 CA LEU A 8 -9.548 4.159 4.162 1.00 71.11 C ATOM 97 C LEU A 8 -9.048 2.734 4.376 1.00 73.23 C ATOM 98 O LEU A 8 -9.686 1.770 3.950 1.00 53.12 O ATOM 99 CB LEU A 8 -9.263 4.601 2.726 1.00 52.35 C ATOM 100 CG LEU A 8 -10.470 5.082 1.919 1.00 34.13 C ATOM 101 CD1 LEU A 8 -11.406 3.922 1.617 1.00 73.02 C ATOM 102 CD2 LEU A 8 -11.207 6.183 2.668 1.00 53.14 C ATOM 0 H LEU A 8 -8.044 5.481 4.784 1.00 65.42 H new ATOM 0 HA LEU A 8 -10.624 4.176 4.334 1.00 71.11 H new ATOM 0 HB2 LEU A 8 -8.527 5.404 2.754 1.00 52.35 H new ATOM 0 HB3 LEU A 8 -8.805 3.767 2.195 1.00 52.35 H new ATOM 0 HG LEU A 8 -10.112 5.489 0.973 1.00 34.13 H new ATOM 0 HD11 LEU A 8 -12.259 4.283 1.042 1.00 73.02 H new ATOM 0 HD12 LEU A 8 -10.874 3.166 1.040 1.00 73.02 H new ATOM 0 HD13 LEU A 8 -11.757 3.485 2.552 1.00 73.02 H new ATOM 0 HD21 LEU A 8 -12.063 6.513 2.079 1.00 53.14 H new ATOM 0 HD22 LEU A 8 -11.553 5.801 3.628 1.00 53.14 H new ATOM 0 HD23 LEU A 8 -10.534 7.024 2.833 1.00 53.14 H new ATOM 114 N LEU A 9 -7.905 2.607 5.040 1.00 63.03 N ATOM 115 CA LEU A 9 -7.320 1.299 5.313 1.00 64.11 C ATOM 116 C LEU A 9 -7.445 0.944 6.791 1.00 2.31 C ATOM 117 O LEU A 9 -7.604 1.811 7.651 1.00 25.23 O ATOM 118 CB LEU A 9 -5.848 1.279 4.895 1.00 73.03 C ATOM 119 CG LEU A 9 -5.061 2.565 5.149 1.00 60.04 C ATOM 120 CD1 LEU A 9 -3.708 2.249 5.766 1.00 5.11 C ATOM 121 CD2 LEU A 9 -4.889 3.349 3.856 1.00 55.32 C ATOM 0 H LEU A 9 -7.365 3.394 5.399 1.00 63.03 H new ATOM 0 HA LEU A 9 -7.867 0.556 4.732 1.00 64.11 H new ATOM 0 HB2 LEU A 9 -5.352 0.463 5.422 1.00 73.03 H new ATOM 0 HB3 LEU A 9 -5.796 1.049 3.831 1.00 73.03 H new ATOM 0 HG LEU A 9 -5.623 3.180 5.852 1.00 60.04 H new ATOM 0 HD11 LEU A 9 -3.162 3.176 5.940 1.00 5.11 H new ATOM 0 HD12 LEU A 9 -3.853 1.730 6.714 1.00 5.11 H new ATOM 0 HD13 LEU A 9 -3.138 1.614 5.088 1.00 5.11 H new ATOM 0 HD21 LEU A 9 -4.327 4.261 4.056 1.00 55.32 H new ATOM 0 HD22 LEU A 9 -4.348 2.741 3.131 1.00 55.32 H new ATOM 0 HD23 LEU A 9 -5.869 3.607 3.454 1.00 55.32 H new ATOM 133 N PRO A 10 -7.370 -0.360 7.096 1.00 42.25 N ATOM 134 CA PRO A 10 -7.469 -0.859 8.470 1.00 14.23 C ATOM 135 C PRO A 10 -6.250 -0.492 9.310 1.00 73.32 C ATOM 136 O PRO A 10 -5.174 -0.198 8.789 1.00 22.44 O ATOM 137 CB PRO A 10 -7.559 -2.376 8.291 1.00 23.43 C ATOM 138 CG PRO A 10 -6.893 -2.644 6.986 1.00 42.43 C ATOM 139 CD PRO A 10 -7.181 -1.448 6.121 1.00 14.31 C ATOM 0 HA PRO A 10 -8.318 -0.428 9.000 1.00 14.23 H new ATOM 0 HB2 PRO A 10 -7.060 -2.901 9.105 1.00 23.43 H new ATOM 0 HB3 PRO A 10 -8.596 -2.713 8.283 1.00 23.43 H new ATOM 0 HG2 PRO A 10 -5.820 -2.782 7.117 1.00 42.43 H new ATOM 0 HG3 PRO A 10 -7.278 -3.557 6.531 1.00 42.43 H new ATOM 0 HD2 PRO A 10 -6.357 -1.238 5.439 1.00 14.31 H new ATOM 0 HD3 PRO A 10 -8.071 -1.599 5.510 1.00 14.31 H new ATOM 147 N PRO A 11 -6.420 -0.510 10.640 1.00 1.22 N ATOM 148 CA PRO A 11 -5.343 -0.183 11.580 1.00 54.32 C ATOM 149 C PRO A 11 -4.253 -1.249 11.606 1.00 14.25 C ATOM 150 O PRO A 11 -3.234 -1.089 12.276 1.00 24.32 O ATOM 151 CB PRO A 11 -6.060 -0.117 12.931 1.00 42.40 C ATOM 152 CG PRO A 11 -7.258 -0.987 12.768 1.00 64.14 C ATOM 153 CD PRO A 11 -7.676 -0.851 11.330 1.00 43.34 C ATOM 0 HA PRO A 11 -4.831 0.740 11.309 1.00 54.32 H new ATOM 0 HB2 PRO A 11 -5.419 -0.474 13.737 1.00 42.40 H new ATOM 0 HB3 PRO A 11 -6.344 0.906 13.179 1.00 42.40 H new ATOM 0 HG2 PRO A 11 -7.023 -2.024 13.010 1.00 64.14 H new ATOM 0 HG3 PRO A 11 -8.060 -0.677 13.438 1.00 64.14 H new ATOM 0 HD2 PRO A 11 -8.106 -1.777 10.947 1.00 43.34 H new ATOM 0 HD3 PRO A 11 -8.429 -0.073 11.202 1.00 43.34 H new ATOM 161 N GLU A 12 -4.476 -2.335 10.873 1.00 34.14 N ATOM 162 CA GLU A 12 -3.512 -3.427 10.814 1.00 20.35 C ATOM 163 C GLU A 12 -2.362 -3.087 9.871 1.00 23.12 C ATOM 164 O GLU A 12 -1.199 -3.366 10.165 1.00 10.11 O ATOM 165 CB GLU A 12 -4.196 -4.717 10.358 1.00 72.34 C ATOM 166 CG GLU A 12 -4.868 -4.602 8.999 1.00 22.04 C ATOM 167 CD GLU A 12 -3.998 -5.124 7.872 1.00 30.14 C ATOM 168 OE1 GLU A 12 -2.782 -5.303 8.094 1.00 34.13 O ATOM 169 OE2 GLU A 12 -4.534 -5.354 6.768 1.00 50.01 O ATOM 0 H GLU A 12 -5.315 -2.482 10.312 1.00 34.14 H new ATOM 0 HA GLU A 12 -3.107 -3.574 11.815 1.00 20.35 H new ATOM 0 HB2 GLU A 12 -3.457 -5.517 10.322 1.00 72.34 H new ATOM 0 HB3 GLU A 12 -4.941 -5.005 11.099 1.00 72.34 H new ATOM 0 HG2 GLU A 12 -5.807 -5.155 9.014 1.00 22.04 H new ATOM 0 HG3 GLU A 12 -5.116 -3.558 8.808 1.00 22.04 H new ATOM 176 N LYS A 13 -2.695 -2.483 8.735 1.00 24.15 N ATOM 177 CA LYS A 13 -1.692 -2.103 7.748 1.00 64.33 C ATOM 178 C LYS A 13 -1.424 -0.602 7.793 1.00 34.31 C ATOM 179 O LYS A 13 -0.538 -0.099 7.103 1.00 32.04 O ATOM 180 CB LYS A 13 -2.149 -2.509 6.345 1.00 42.54 C ATOM 181 CG LYS A 13 -3.296 -1.667 5.812 1.00 64.01 C ATOM 182 CD LYS A 13 -2.814 -0.652 4.789 1.00 0.53 C ATOM 183 CE LYS A 13 -2.283 -1.331 3.536 1.00 34.02 C ATOM 184 NZ LYS A 13 -3.102 -1.000 2.337 1.00 31.40 N ATOM 0 H LYS A 13 -3.653 -2.246 8.475 1.00 24.15 H new ATOM 0 HA LYS A 13 -0.766 -2.626 7.988 1.00 64.33 H new ATOM 0 HB2 LYS A 13 -1.304 -2.432 5.660 1.00 42.54 H new ATOM 0 HB3 LYS A 13 -2.454 -3.555 6.360 1.00 42.54 H new ATOM 0 HG2 LYS A 13 -4.044 -2.316 5.357 1.00 64.01 H new ATOM 0 HG3 LYS A 13 -3.783 -1.149 6.638 1.00 64.01 H new ATOM 0 HD2 LYS A 13 -3.634 0.015 4.523 1.00 0.53 H new ATOM 0 HD3 LYS A 13 -2.031 -0.035 5.229 1.00 0.53 H new ATOM 0 HE2 LYS A 13 -1.251 -1.025 3.367 1.00 34.02 H new ATOM 0 HE3 LYS A 13 -2.275 -2.411 3.684 1.00 34.02 H new ATOM 0 HZ1 LYS A 13 -2.708 -1.482 1.504 1.00 31.40 H new ATOM 0 HZ2 LYS A 13 -4.082 -1.315 2.488 1.00 31.40 H new ATOM 0 HZ3 LYS A 13 -3.089 0.028 2.181 1.00 31.40 H new ATOM 198 N ALA A 14 -2.196 0.107 8.611 1.00 44.04 N ATOM 199 CA ALA A 14 -2.039 1.550 8.748 1.00 33.33 C ATOM 200 C ALA A 14 -0.822 1.891 9.601 1.00 42.14 C ATOM 201 O ALA A 14 -0.323 3.016 9.566 1.00 11.21 O ATOM 202 CB ALA A 14 -3.296 2.162 9.350 1.00 24.41 C ATOM 0 H ALA A 14 -2.935 -0.294 9.188 1.00 44.04 H new ATOM 0 HA ALA A 14 -1.883 1.970 7.754 1.00 33.33 H new ATOM 0 HB1 ALA A 14 -3.165 3.240 9.447 1.00 24.41 H new ATOM 0 HB2 ALA A 14 -4.147 1.956 8.701 1.00 24.41 H new ATOM 0 HB3 ALA A 14 -3.477 1.729 10.334 1.00 24.41 H new ATOM 208 N PHE A 15 -0.348 0.913 10.366 1.00 40.32 N ATOM 209 CA PHE A 15 0.811 1.111 11.229 1.00 53.12 C ATOM 210 C PHE A 15 1.895 0.081 10.928 1.00 62.21 C ATOM 211 O PHE A 15 1.621 -1.115 10.831 1.00 62.51 O ATOM 212 CB PHE A 15 0.399 1.020 12.700 1.00 41.23 C ATOM 213 CG PHE A 15 -0.873 1.755 13.013 1.00 70.03 C ATOM 214 CD1 PHE A 15 -1.001 3.103 12.717 1.00 21.43 C ATOM 215 CD2 PHE A 15 -1.941 1.098 13.603 1.00 43.01 C ATOM 216 CE1 PHE A 15 -2.170 3.782 13.004 1.00 73.33 C ATOM 217 CE2 PHE A 15 -3.113 1.772 13.891 1.00 24.31 C ATOM 218 CZ PHE A 15 -3.227 3.115 13.592 1.00 11.34 C ATOM 0 H PHE A 15 -0.748 -0.024 10.406 1.00 40.32 H new ATOM 0 HA PHE A 15 1.214 2.104 11.032 1.00 53.12 H new ATOM 0 HB2 PHE A 15 0.279 -0.029 12.971 1.00 41.23 H new ATOM 0 HB3 PHE A 15 1.202 1.420 13.319 1.00 41.23 H new ATOM 0 HD1 PHE A 15 -0.178 3.629 12.257 1.00 21.43 H new ATOM 0 HD2 PHE A 15 -1.857 0.048 13.840 1.00 43.01 H new ATOM 0 HE1 PHE A 15 -2.257 4.833 12.769 1.00 73.33 H new ATOM 0 HE2 PHE A 15 -3.939 1.248 14.350 1.00 24.31 H new ATOM 0 HZ PHE A 15 -4.141 3.643 13.818 1.00 11.34 H new ATOM 228 N VAL A 16 3.129 0.554 10.781 1.00 55.44 N ATOM 229 CA VAL A 16 4.255 -0.324 10.491 1.00 24.42 C ATOM 230 C VAL A 16 5.268 -0.313 11.631 1.00 33.40 C ATOM 231 O VAL A 16 6.276 0.392 11.592 1.00 21.11 O ATOM 232 CB VAL A 16 4.964 0.083 9.186 1.00 41.22 C ATOM 233 CG1 VAL A 16 5.973 -0.977 8.772 1.00 31.41 C ATOM 234 CG2 VAL A 16 3.947 0.323 8.080 1.00 0.44 C ATOM 0 H VAL A 16 3.373 1.541 10.858 1.00 55.44 H new ATOM 0 HA VAL A 16 3.850 -1.330 10.377 1.00 24.42 H new ATOM 0 HB VAL A 16 5.503 1.014 9.362 1.00 41.22 H new ATOM 0 HG11 VAL A 16 6.463 -0.671 7.848 1.00 31.41 H new ATOM 0 HG12 VAL A 16 6.720 -1.095 9.557 1.00 31.41 H new ATOM 0 HG13 VAL A 16 5.460 -1.926 8.614 1.00 31.41 H new ATOM 0 HG21 VAL A 16 4.465 0.610 7.165 1.00 0.44 H new ATOM 0 HG22 VAL A 16 3.379 -0.590 7.904 1.00 0.44 H new ATOM 0 HG23 VAL A 16 3.268 1.122 8.378 1.00 0.44 H new ATOM 244 N PRO A 17 4.995 -1.114 12.672 1.00 22.01 N ATOM 245 CA PRO A 17 5.871 -1.215 13.843 1.00 31.52 C ATOM 246 C PRO A 17 7.187 -1.916 13.524 1.00 44.52 C ATOM 247 O PRO A 17 7.207 -2.937 12.838 1.00 35.35 O ATOM 248 CB PRO A 17 5.048 -2.048 14.830 1.00 5.31 C ATOM 249 CG PRO A 17 4.126 -2.847 13.975 1.00 1.54 C ATOM 250 CD PRO A 17 3.811 -1.982 12.786 1.00 63.42 C ATOM 0 HA PRO A 17 6.156 -0.235 14.224 1.00 31.52 H new ATOM 0 HB2 PRO A 17 5.687 -2.693 15.433 1.00 5.31 H new ATOM 0 HB3 PRO A 17 4.495 -1.411 15.521 1.00 5.31 H new ATOM 0 HG2 PRO A 17 4.593 -3.782 13.665 1.00 1.54 H new ATOM 0 HG3 PRO A 17 3.218 -3.109 14.519 1.00 1.54 H new ATOM 0 HD2 PRO A 17 3.661 -2.577 11.885 1.00 63.42 H new ATOM 0 HD3 PRO A 17 2.901 -1.402 12.941 1.00 63.42 H new ATOM 258 N GLU A 18 8.285 -1.359 14.025 1.00 5.24 N ATOM 259 CA GLU A 18 9.606 -1.931 13.792 1.00 22.00 C ATOM 260 C GLU A 18 10.433 -1.933 15.075 1.00 51.53 C ATOM 261 O GLU A 18 10.577 -0.903 15.735 1.00 45.31 O ATOM 262 CB GLU A 18 10.340 -1.149 12.700 1.00 13.04 C ATOM 263 CG GLU A 18 11.570 -1.861 12.164 1.00 5.34 C ATOM 264 CD GLU A 18 11.921 -1.436 10.751 1.00 34.43 C ATOM 265 OE1 GLU A 18 11.174 -1.804 9.820 1.00 21.10 O ATOM 266 OE2 GLU A 18 12.940 -0.737 10.577 1.00 65.44 O ATOM 0 H GLU A 18 8.286 -0.513 14.594 1.00 5.24 H new ATOM 0 HA GLU A 18 9.474 -2.962 13.464 1.00 22.00 H new ATOM 0 HB2 GLU A 18 9.652 -0.960 11.876 1.00 13.04 H new ATOM 0 HB3 GLU A 18 10.637 -0.178 13.097 1.00 13.04 H new ATOM 0 HG2 GLU A 18 12.416 -1.660 12.821 1.00 5.34 H new ATOM 0 HG3 GLU A 18 11.400 -2.937 12.184 1.00 5.34 H new ATOM 273 N LEU A 19 10.973 -3.095 15.422 1.00 32.50 N ATOM 274 CA LEU A 19 11.785 -3.233 16.626 1.00 10.21 C ATOM 275 C LEU A 19 13.270 -3.280 16.279 1.00 75.30 C ATOM 276 O LEU A 19 13.655 -3.783 15.224 1.00 55.23 O ATOM 277 CB LEU A 19 11.388 -4.496 17.392 1.00 72.24 C ATOM 278 CG LEU A 19 11.122 -4.319 18.887 1.00 25.31 C ATOM 279 CD1 LEU A 19 12.409 -3.974 19.620 1.00 23.13 C ATOM 280 CD2 LEU A 19 10.070 -3.245 19.119 1.00 51.15 C ATOM 0 H LEU A 19 10.864 -3.956 14.887 1.00 32.50 H new ATOM 0 HA LEU A 19 11.605 -2.362 17.257 1.00 10.21 H new ATOM 0 HB2 LEU A 19 10.491 -4.910 16.930 1.00 72.24 H new ATOM 0 HB3 LEU A 19 12.180 -5.235 17.269 1.00 72.24 H new ATOM 0 HG LEU A 19 10.743 -5.261 19.283 1.00 25.31 H new ATOM 0 HD11 LEU A 19 12.201 -3.852 20.683 1.00 23.13 H new ATOM 0 HD12 LEU A 19 13.133 -4.777 19.482 1.00 23.13 H new ATOM 0 HD13 LEU A 19 12.817 -3.045 19.221 1.00 23.13 H new ATOM 0 HD21 LEU A 19 9.894 -3.133 20.189 1.00 51.15 H new ATOM 0 HD22 LEU A 19 10.420 -2.298 18.708 1.00 51.15 H new ATOM 0 HD23 LEU A 19 9.141 -3.533 18.627 1.00 51.15 H new ATOM 292 N ALA A 20 14.099 -2.756 17.175 1.00 14.44 N ATOM 293 CA ALA A 20 15.541 -2.742 16.966 1.00 70.10 C ATOM 294 C ALA A 20 16.289 -2.766 18.295 1.00 71.43 C ATOM 295 O ALA A 20 16.349 -1.761 19.003 1.00 21.42 O ATOM 296 CB ALA A 20 15.945 -1.521 16.153 1.00 32.00 C ATOM 0 H ALA A 20 13.796 -2.335 18.053 1.00 14.44 H new ATOM 0 HA ALA A 20 15.811 -3.640 16.411 1.00 70.10 H new ATOM 0 HB1 ALA A 20 17.025 -1.524 16.005 1.00 32.00 H new ATOM 0 HB2 ALA A 20 15.446 -1.547 15.184 1.00 32.00 H new ATOM 0 HB3 ALA A 20 15.654 -0.616 16.687 1.00 32.00 H new ATOM 302 N VAL A 21 16.857 -3.921 18.628 1.00 44.15 N ATOM 303 CA VAL A 21 17.602 -4.076 19.871 1.00 1.24 C ATOM 304 C VAL A 21 18.994 -3.464 19.758 1.00 20.45 C ATOM 305 O VAL A 21 19.675 -3.628 18.747 1.00 71.44 O ATOM 306 CB VAL A 21 17.735 -5.559 20.265 1.00 63.01 C ATOM 307 CG1 VAL A 21 18.633 -5.710 21.483 1.00 2.13 C ATOM 308 CG2 VAL A 21 16.365 -6.166 20.524 1.00 73.21 C ATOM 0 H VAL A 21 16.815 -4.763 18.054 1.00 44.15 H new ATOM 0 HA VAL A 21 17.040 -3.552 20.644 1.00 1.24 H new ATOM 0 HB VAL A 21 18.195 -6.097 19.436 1.00 63.01 H new ATOM 0 HG11 VAL A 21 18.715 -6.765 21.746 1.00 2.13 H new ATOM 0 HG12 VAL A 21 19.623 -5.315 21.256 1.00 2.13 H new ATOM 0 HG13 VAL A 21 18.206 -5.159 22.321 1.00 2.13 H new ATOM 0 HG21 VAL A 21 16.478 -7.214 20.801 1.00 73.21 H new ATOM 0 HG22 VAL A 21 15.876 -5.627 21.335 1.00 73.21 H new ATOM 0 HG23 VAL A 21 15.758 -6.093 19.622 1.00 73.21 H new ATOM 318 N ALA A 22 19.411 -2.759 20.805 1.00 40.23 N ATOM 319 CA ALA A 22 20.723 -2.125 20.824 1.00 3.43 C ATOM 320 C ALA A 22 21.546 -2.602 22.016 1.00 30.12 C ATOM 321 O ALA A 22 21.105 -3.457 22.784 1.00 22.41 O ATOM 322 CB ALA A 22 20.577 -0.610 20.854 1.00 63.41 C ATOM 0 H ALA A 22 18.859 -2.613 21.650 1.00 40.23 H new ATOM 0 HA ALA A 22 21.250 -2.411 19.914 1.00 3.43 H new ATOM 0 HB1 ALA A 22 21.565 -0.149 20.868 1.00 63.41 H new ATOM 0 HB2 ALA A 22 20.035 -0.279 19.968 1.00 63.41 H new ATOM 0 HB3 ALA A 22 20.027 -0.315 21.747 1.00 63.41 H new ATOM 328 N ASP A 23 22.743 -2.045 22.164 1.00 13.22 N ATOM 329 CA ASP A 23 23.627 -2.414 23.263 1.00 2.44 C ATOM 330 C ASP A 23 23.382 -1.526 24.479 1.00 4.44 C ATOM 331 O ASP A 23 23.761 -1.871 25.599 1.00 40.32 O ATOM 332 CB ASP A 23 25.089 -2.310 22.827 1.00 43.34 C ATOM 333 CG ASP A 23 25.984 -3.289 23.561 1.00 71.24 C ATOM 334 OD1 ASP A 23 25.943 -3.310 24.809 1.00 73.42 O ATOM 335 OD2 ASP A 23 26.725 -4.035 22.887 1.00 75.22 O ATOM 0 H ASP A 23 23.123 -1.336 21.537 1.00 13.22 H new ATOM 0 HA ASP A 23 23.411 -3.446 23.539 1.00 2.44 H new ATOM 0 HB2 ASP A 23 25.159 -2.492 21.755 1.00 43.34 H new ATOM 0 HB3 ASP A 23 25.446 -1.295 23.002 1.00 43.34 H new ATOM 340 N ASP A 24 22.748 -0.381 24.251 1.00 2.23 N ATOM 341 CA ASP A 24 22.453 0.557 25.328 1.00 53.30 C ATOM 342 C ASP A 24 20.947 0.688 25.537 1.00 22.31 C ATOM 343 O ASP A 24 20.479 1.623 26.184 1.00 11.33 O ATOM 344 CB ASP A 24 23.058 1.928 25.020 1.00 71.43 C ATOM 345 CG ASP A 24 24.557 1.961 25.240 1.00 5.12 C ATOM 346 OD1 ASP A 24 25.046 1.216 26.115 1.00 34.45 O ATOM 347 OD2 ASP A 24 25.243 2.732 24.537 1.00 0.10 O ATOM 0 H ASP A 24 22.429 -0.080 23.330 1.00 2.23 H new ATOM 0 HA ASP A 24 22.897 0.170 26.245 1.00 53.30 H new ATOM 0 HB2 ASP A 24 22.839 2.194 23.986 1.00 71.43 H new ATOM 0 HB3 ASP A 24 22.584 2.681 25.650 1.00 71.43 H new ATOM 352 N GLY A 25 20.194 -0.257 24.983 1.00 34.52 N ATOM 353 CA GLY A 25 18.749 -0.229 25.119 1.00 20.03 C ATOM 354 C GLY A 25 18.040 -0.746 23.883 1.00 30.34 C ATOM 355 O GLY A 25 18.669 -1.311 22.988 1.00 0.04 O ATOM 0 H GLY A 25 20.558 -1.041 24.442 1.00 34.52 H new ATOM 0 HA2 GLY A 25 18.457 -0.830 25.980 1.00 20.03 H new ATOM 0 HA3 GLY A 25 18.426 0.793 25.319 1.00 20.03 H new ATOM 359 N VAL A 26 16.725 -0.555 23.834 1.00 65.14 N ATOM 360 CA VAL A 26 15.930 -1.007 22.698 1.00 13.15 C ATOM 361 C VAL A 26 15.217 0.162 22.027 1.00 20.41 C ATOM 362 O VAL A 26 14.695 1.051 22.697 1.00 2.34 O ATOM 363 CB VAL A 26 14.884 -2.054 23.127 1.00 3.31 C ATOM 364 CG1 VAL A 26 14.124 -2.575 21.917 1.00 32.55 C ATOM 365 CG2 VAL A 26 15.551 -3.195 23.881 1.00 42.53 C ATOM 0 H VAL A 26 16.188 -0.091 24.567 1.00 65.14 H new ATOM 0 HA VAL A 26 16.621 -1.463 21.989 1.00 13.15 H new ATOM 0 HB VAL A 26 14.169 -1.576 23.797 1.00 3.31 H new ATOM 0 HG11 VAL A 26 13.390 -3.313 22.239 1.00 32.55 H new ATOM 0 HG12 VAL A 26 13.614 -1.747 21.423 1.00 32.55 H new ATOM 0 HG13 VAL A 26 14.823 -3.038 21.220 1.00 32.55 H new ATOM 0 HG21 VAL A 26 14.798 -3.925 24.177 1.00 42.53 H new ATOM 0 HG22 VAL A 26 16.288 -3.675 23.237 1.00 42.53 H new ATOM 0 HG23 VAL A 26 16.045 -2.804 24.770 1.00 42.53 H new ATOM 375 N ASN A 27 15.199 0.152 20.698 1.00 30.11 N ATOM 376 CA ASN A 27 14.550 1.212 19.935 1.00 61.32 C ATOM 377 C ASN A 27 13.409 0.653 19.089 1.00 5.15 C ATOM 378 O ASN A 27 13.573 -0.347 18.390 1.00 35.04 O ATOM 379 CB ASN A 27 15.567 1.918 19.036 1.00 24.31 C ATOM 380 CG ASN A 27 15.736 3.382 19.393 1.00 54.14 C ATOM 381 OD1 ASN A 27 16.816 3.815 19.794 1.00 30.42 O ATOM 382 ND2 ASN A 27 14.664 4.153 19.247 1.00 2.11 N ATOM 0 H ASN A 27 15.626 -0.578 20.128 1.00 30.11 H new ATOM 0 HA ASN A 27 14.137 1.933 20.641 1.00 61.32 H new ATOM 0 HB2 ASN A 27 16.530 1.414 19.116 1.00 24.31 H new ATOM 0 HB3 ASN A 27 15.249 1.835 17.997 1.00 24.31 H new ATOM 0 HD21 ASN A 27 14.716 5.147 19.471 1.00 2.11 H new ATOM 0 HD22 ASN A 27 13.789 3.751 18.911 1.00 2.11 H new ATOM 389 N VAL A 28 12.254 1.307 19.158 1.00 30.33 N ATOM 390 CA VAL A 28 11.086 0.877 18.398 1.00 22.05 C ATOM 391 C VAL A 28 10.469 2.042 17.634 1.00 52.42 C ATOM 392 O VAL A 28 10.188 3.095 18.207 1.00 12.01 O ATOM 393 CB VAL A 28 10.017 0.256 19.316 1.00 32.45 C ATOM 394 CG1 VAL A 28 9.521 1.278 20.328 1.00 44.23 C ATOM 395 CG2 VAL A 28 8.862 -0.294 18.493 1.00 62.24 C ATOM 0 H VAL A 28 12.102 2.136 19.732 1.00 30.33 H new ATOM 0 HA VAL A 28 11.429 0.123 17.690 1.00 22.05 H new ATOM 0 HB VAL A 28 10.470 -0.571 19.863 1.00 32.45 H new ATOM 0 HG11 VAL A 28 8.766 0.820 20.967 1.00 44.23 H new ATOM 0 HG12 VAL A 28 10.356 1.619 20.940 1.00 44.23 H new ATOM 0 HG13 VAL A 28 9.085 2.128 19.803 1.00 44.23 H new ATOM 0 HG21 VAL A 28 8.116 -0.729 19.158 1.00 62.24 H new ATOM 0 HG22 VAL A 28 8.409 0.513 17.918 1.00 62.24 H new ATOM 0 HG23 VAL A 28 9.233 -1.061 17.813 1.00 62.24 H new ATOM 405 N ARG A 29 10.260 1.847 16.336 1.00 72.11 N ATOM 406 CA ARG A 29 9.676 2.882 15.492 1.00 53.23 C ATOM 407 C ARG A 29 8.503 2.330 14.687 1.00 71.22 C ATOM 408 O ARG A 29 8.639 1.336 13.974 1.00 64.44 O ATOM 409 CB ARG A 29 10.733 3.455 14.546 1.00 54.03 C ATOM 410 CG ARG A 29 10.213 4.574 13.658 1.00 70.23 C ATOM 411 CD ARG A 29 9.631 4.032 12.362 1.00 74.42 C ATOM 412 NE ARG A 29 10.020 4.837 11.207 1.00 24.25 N ATOM 413 CZ ARG A 29 11.256 4.875 10.722 1.00 42.21 C ATOM 414 NH1 ARG A 29 12.217 4.158 11.287 1.00 31.55 N ATOM 415 NH2 ARG A 29 11.533 5.632 9.668 1.00 50.41 N ATOM 0 H ARG A 29 10.487 0.981 15.846 1.00 72.11 H new ATOM 0 HA ARG A 29 9.307 3.678 16.139 1.00 53.23 H new ATOM 0 HB2 ARG A 29 11.571 3.829 15.135 1.00 54.03 H new ATOM 0 HB3 ARG A 29 11.119 2.653 13.917 1.00 54.03 H new ATOM 0 HG2 ARG A 29 9.450 5.139 14.193 1.00 70.23 H new ATOM 0 HG3 ARG A 29 11.023 5.267 13.432 1.00 70.23 H new ATOM 0 HD2 ARG A 29 9.965 3.005 12.217 1.00 74.42 H new ATOM 0 HD3 ARG A 29 8.544 4.006 12.436 1.00 74.42 H new ATOM 0 HE ARG A 29 9.304 5.400 10.748 1.00 24.25 H new ATOM 0 HH11 ARG A 29 12.009 3.574 12.097 1.00 31.55 H new ATOM 0 HH12 ARG A 29 13.165 4.190 10.912 1.00 31.55 H new ATOM 0 HH21 ARG A 29 10.797 6.185 9.230 1.00 50.41 H new ATOM 0 HH22 ARG A 29 12.482 5.661 9.296 1.00 50.41 H new ATOM 429 N PHE A 30 7.351 2.981 14.807 1.00 52.01 N ATOM 430 CA PHE A 30 6.153 2.554 14.092 1.00 45.50 C ATOM 431 C PHE A 30 5.670 3.645 13.141 1.00 45.34 C ATOM 432 O PHE A 30 5.373 4.764 13.561 1.00 22.50 O ATOM 433 CB PHE A 30 5.043 2.197 15.082 1.00 52.01 C ATOM 434 CG PHE A 30 5.303 2.687 16.478 1.00 64.14 C ATOM 435 CD1 PHE A 30 6.133 1.978 17.331 1.00 33.44 C ATOM 436 CD2 PHE A 30 4.719 3.857 16.936 1.00 64.13 C ATOM 437 CE1 PHE A 30 6.373 2.426 18.616 1.00 24.14 C ATOM 438 CE2 PHE A 30 4.957 4.310 18.220 1.00 52.43 C ATOM 439 CZ PHE A 30 5.786 3.594 19.061 1.00 53.33 C ATOM 0 H PHE A 30 7.221 3.806 15.392 1.00 52.01 H new ATOM 0 HA PHE A 30 6.405 1.671 13.506 1.00 45.50 H new ATOM 0 HB2 PHE A 30 4.102 2.618 14.727 1.00 52.01 H new ATOM 0 HB3 PHE A 30 4.920 1.114 15.103 1.00 52.01 H new ATOM 0 HD1 PHE A 30 6.597 1.065 16.988 1.00 33.44 H new ATOM 0 HD2 PHE A 30 4.070 4.421 16.282 1.00 64.13 H new ATOM 0 HE1 PHE A 30 7.020 1.863 19.272 1.00 24.14 H new ATOM 0 HE2 PHE A 30 4.495 5.223 18.565 1.00 52.43 H new ATOM 0 HZ PHE A 30 5.975 3.947 20.064 1.00 53.33 H new ATOM 449 N ARG A 31 5.596 3.311 11.856 1.00 13.44 N ATOM 450 CA ARG A 31 5.151 4.262 10.844 1.00 0.14 C ATOM 451 C ARG A 31 3.629 4.264 10.732 1.00 3.41 C ATOM 452 O ARG A 31 3.025 3.266 10.341 1.00 74.33 O ATOM 453 CB ARG A 31 5.773 3.924 9.488 1.00 33.02 C ATOM 454 CG ARG A 31 7.259 3.615 9.560 1.00 42.03 C ATOM 455 CD ARG A 31 8.019 4.263 8.413 1.00 53.32 C ATOM 456 NE ARG A 31 7.736 3.616 7.134 1.00 1.53 N ATOM 457 CZ ARG A 31 8.233 2.436 6.782 1.00 21.12 C ATOM 458 NH1 ARG A 31 9.033 1.777 7.609 1.00 70.52 N ATOM 459 NH2 ARG A 31 7.930 1.912 5.601 1.00 15.43 N ATOM 0 H ARG A 31 5.838 2.390 11.492 1.00 13.44 H new ATOM 0 HA ARG A 31 5.477 5.257 11.147 1.00 0.14 H new ATOM 0 HB2 ARG A 31 5.252 3.066 9.063 1.00 33.02 H new ATOM 0 HB3 ARG A 31 5.617 4.761 8.807 1.00 33.02 H new ATOM 0 HG2 ARG A 31 7.660 3.969 10.510 1.00 42.03 H new ATOM 0 HG3 ARG A 31 7.409 2.536 9.534 1.00 42.03 H new ATOM 0 HD2 ARG A 31 7.753 5.318 8.352 1.00 53.32 H new ATOM 0 HD3 ARG A 31 9.089 4.215 8.614 1.00 53.32 H new ATOM 0 HE ARG A 31 7.123 4.097 6.476 1.00 1.53 H new ATOM 0 HH11 ARG A 31 9.268 2.176 8.518 1.00 70.52 H new ATOM 0 HH12 ARG A 31 9.414 0.871 7.336 1.00 70.52 H new ATOM 0 HH21 ARG A 31 7.315 2.416 4.962 1.00 15.43 H new ATOM 0 HH22 ARG A 31 8.313 1.006 5.332 1.00 15.43 H new ATOM 473 N ILE A 32 3.017 5.392 11.078 1.00 24.11 N ATOM 474 CA ILE A 32 1.567 5.524 11.015 1.00 21.25 C ATOM 475 C ILE A 32 1.131 6.188 9.714 1.00 42.11 C ATOM 476 O ILE A 32 1.823 7.059 9.188 1.00 41.22 O ATOM 477 CB ILE A 32 1.024 6.341 12.203 1.00 63.03 C ATOM 478 CG1 ILE A 32 1.326 5.627 13.522 1.00 43.21 C ATOM 479 CG2 ILE A 32 -0.472 6.570 12.048 1.00 22.33 C ATOM 480 CD1 ILE A 32 1.885 6.541 14.589 1.00 3.55 C ATOM 0 H ILE A 32 3.503 6.227 11.405 1.00 24.11 H new ATOM 0 HA ILE A 32 1.156 4.515 11.060 1.00 21.25 H new ATOM 0 HB ILE A 32 1.521 7.311 12.215 1.00 63.03 H new ATOM 0 HG12 ILE A 32 0.411 5.165 13.893 1.00 43.21 H new ATOM 0 HG13 ILE A 32 2.037 4.822 13.336 1.00 43.21 H new ATOM 0 HG21 ILE A 32 -0.841 7.149 12.895 1.00 22.33 H new ATOM 0 HG22 ILE A 32 -0.663 7.117 11.124 1.00 22.33 H new ATOM 0 HG23 ILE A 32 -0.986 5.609 12.014 1.00 22.33 H new ATOM 0 HD11 ILE A 32 2.075 5.967 15.496 1.00 3.55 H new ATOM 0 HD12 ILE A 32 2.817 6.984 14.237 1.00 3.55 H new ATOM 0 HD13 ILE A 32 1.166 7.332 14.804 1.00 3.55 H new ATOM 492 N ALA A 33 -0.022 5.772 9.201 1.00 63.54 N ATOM 493 CA ALA A 33 -0.552 6.329 7.963 1.00 74.34 C ATOM 494 C ALA A 33 -0.880 7.809 8.123 1.00 1.30 C ATOM 495 O ALA A 33 -1.240 8.261 9.210 1.00 21.03 O ATOM 496 CB ALA A 33 -1.788 5.557 7.524 1.00 53.31 C ATOM 0 H ALA A 33 -0.607 5.051 9.624 1.00 63.54 H new ATOM 0 HA ALA A 33 0.214 6.235 7.194 1.00 74.34 H new ATOM 0 HB1 ALA A 33 -2.174 5.984 6.598 1.00 53.31 H new ATOM 0 HB2 ALA A 33 -1.525 4.512 7.360 1.00 53.31 H new ATOM 0 HB3 ALA A 33 -2.552 5.622 8.299 1.00 53.31 H new ATOM 502 N ASP A 34 -0.752 8.560 7.035 1.00 60.15 N ATOM 503 CA ASP A 34 -1.035 9.990 7.055 1.00 42.44 C ATOM 504 C ASP A 34 -2.476 10.253 7.479 1.00 12.43 C ATOM 505 O ASP A 34 -2.819 11.358 7.899 1.00 43.01 O ATOM 506 CB ASP A 34 -0.776 10.602 5.677 1.00 52.41 C ATOM 507 CG ASP A 34 -0.171 11.990 5.764 1.00 34.11 C ATOM 508 OD1 ASP A 34 0.610 12.239 6.706 1.00 64.41 O ATOM 509 OD2 ASP A 34 -0.479 12.827 4.890 1.00 31.30 O ATOM 0 H ASP A 34 -0.454 8.202 6.128 1.00 60.15 H new ATOM 0 HA ASP A 34 -0.371 10.457 7.782 1.00 42.44 H new ATOM 0 HB2 ASP A 34 -0.107 9.952 5.114 1.00 52.41 H new ATOM 0 HB3 ASP A 34 -1.713 10.651 5.123 1.00 52.41 H new ATOM 514 N GLY A 35 -3.317 9.230 7.366 1.00 35.03 N ATOM 515 CA GLY A 35 -4.712 9.371 7.741 1.00 13.32 C ATOM 516 C GLY A 35 -4.978 8.924 9.165 1.00 52.01 C ATOM 517 O GLY A 35 -6.130 8.849 9.595 1.00 65.14 O ATOM 0 H GLY A 35 -3.057 8.306 7.021 1.00 35.03 H new ATOM 0 HA2 GLY A 35 -5.012 10.413 7.629 1.00 13.32 H new ATOM 0 HA3 GLY A 35 -5.329 8.787 7.059 1.00 13.32 H new ATOM 521 N TYR A 36 -3.912 8.625 9.898 1.00 63.40 N ATOM 522 CA TYR A 36 -4.036 8.178 11.280 1.00 5.15 C ATOM 523 C TYR A 36 -3.027 8.892 12.176 1.00 71.42 C ATOM 524 O TYR A 36 -1.998 9.379 11.706 1.00 33.43 O ATOM 525 CB TYR A 36 -3.832 6.665 11.370 1.00 73.33 C ATOM 526 CG TYR A 36 -4.999 5.865 10.836 1.00 20.52 C ATOM 527 CD1 TYR A 36 -6.281 6.047 11.341 1.00 25.15 C ATOM 528 CD2 TYR A 36 -4.820 4.926 9.828 1.00 70.31 C ATOM 529 CE1 TYR A 36 -7.350 5.318 10.858 1.00 65.33 C ATOM 530 CE2 TYR A 36 -5.883 4.193 9.337 1.00 13.10 C ATOM 531 CZ TYR A 36 -7.146 4.392 9.855 1.00 0.52 C ATOM 532 OH TYR A 36 -8.208 3.664 9.370 1.00 65.31 O ATOM 0 H TYR A 36 -2.952 8.684 9.558 1.00 63.40 H new ATOM 0 HA TYR A 36 -5.040 8.424 11.625 1.00 5.15 H new ATOM 0 HB2 TYR A 36 -2.933 6.394 10.817 1.00 73.33 H new ATOM 0 HB3 TYR A 36 -3.660 6.391 12.411 1.00 73.33 H new ATOM 0 HD1 TYR A 36 -6.444 6.771 12.125 1.00 25.15 H new ATOM 0 HD2 TYR A 36 -3.832 4.766 9.421 1.00 70.31 H new ATOM 0 HE1 TYR A 36 -8.339 5.472 11.263 1.00 65.33 H new ATOM 0 HE2 TYR A 36 -5.726 3.468 8.552 1.00 13.10 H new ATOM 0 HH TYR A 36 -7.950 3.228 8.531 1.00 65.31 H new ATOM 542 N TYR A 37 -3.330 8.949 13.468 1.00 61.31 N ATOM 543 CA TYR A 37 -2.452 9.604 14.430 1.00 32.24 C ATOM 544 C TYR A 37 -2.649 9.026 15.828 1.00 23.44 C ATOM 545 O TYR A 37 -3.777 8.822 16.275 1.00 13.40 O ATOM 546 CB TYR A 37 -2.714 11.111 14.448 1.00 33.41 C ATOM 547 CG TYR A 37 -4.099 11.479 14.932 1.00 62.22 C ATOM 548 CD1 TYR A 37 -4.360 11.650 16.286 1.00 41.53 C ATOM 549 CD2 TYR A 37 -5.146 11.654 14.035 1.00 22.15 C ATOM 550 CE1 TYR A 37 -5.623 11.986 16.733 1.00 54.14 C ATOM 551 CE2 TYR A 37 -6.412 11.991 14.473 1.00 21.01 C ATOM 552 CZ TYR A 37 -6.646 12.156 15.822 1.00 22.24 C ATOM 553 OH TYR A 37 -7.906 12.490 16.262 1.00 0.15 O ATOM 0 H TYR A 37 -4.177 8.550 13.873 1.00 61.31 H new ATOM 0 HA TYR A 37 -1.421 9.425 14.124 1.00 32.24 H new ATOM 0 HB2 TYR A 37 -1.975 11.592 15.088 1.00 33.41 H new ATOM 0 HB3 TYR A 37 -2.572 11.508 13.443 1.00 33.41 H new ATOM 0 HD1 TYR A 37 -3.562 11.518 17.001 1.00 41.53 H new ATOM 0 HD2 TYR A 37 -4.967 11.524 12.978 1.00 22.15 H new ATOM 0 HE1 TYR A 37 -5.809 12.115 17.789 1.00 54.14 H new ATOM 0 HE2 TYR A 37 -7.214 12.125 13.763 1.00 21.01 H new ATOM 0 HH TYR A 37 -8.444 12.803 15.505 1.00 0.15 H new ATOM 563 N MET A 38 -1.541 8.763 16.514 1.00 0.43 N ATOM 564 CA MET A 38 -1.590 8.210 17.863 1.00 54.42 C ATOM 565 C MET A 38 -1.075 9.220 18.884 1.00 72.14 C ATOM 566 O MET A 38 -0.127 9.959 18.616 1.00 34.12 O ATOM 567 CB MET A 38 -0.766 6.924 17.940 1.00 73.32 C ATOM 568 CG MET A 38 -1.596 5.660 17.777 1.00 45.21 C ATOM 569 SD MET A 38 -0.829 4.464 16.666 1.00 3.54 S ATOM 570 CE MET A 38 -2.106 3.211 16.584 1.00 41.40 C ATOM 0 H MET A 38 -0.599 8.924 16.158 1.00 0.43 H new ATOM 0 HA MET A 38 -2.630 7.981 18.097 1.00 54.42 H new ATOM 0 HB2 MET A 38 0.002 6.947 17.167 1.00 73.32 H new ATOM 0 HB3 MET A 38 -0.251 6.889 18.900 1.00 73.32 H new ATOM 0 HG2 MET A 38 -1.745 5.199 18.754 1.00 45.21 H new ATOM 0 HG3 MET A 38 -2.582 5.924 17.395 1.00 45.21 H new ATOM 0 HE1 MET A 38 -1.716 2.326 16.082 1.00 41.40 H new ATOM 0 HE2 MET A 38 -2.421 2.946 17.593 1.00 41.40 H new ATOM 0 HE3 MET A 38 -2.960 3.597 16.027 1.00 41.40 H new ATOM 580 N TYR A 39 -1.705 9.246 20.053 1.00 70.02 N ATOM 581 CA TYR A 39 -1.312 10.167 21.113 1.00 64.05 C ATOM 582 C TYR A 39 -0.108 9.631 21.881 1.00 24.10 C ATOM 583 O TYR A 39 -0.116 8.495 22.354 1.00 31.12 O ATOM 584 CB TYR A 39 -2.479 10.402 22.072 1.00 55.51 C ATOM 585 CG TYR A 39 -3.804 10.611 21.374 1.00 72.15 C ATOM 586 CD1 TYR A 39 -4.215 11.880 20.984 1.00 64.33 C ATOM 587 CD2 TYR A 39 -4.645 9.538 21.103 1.00 52.43 C ATOM 588 CE1 TYR A 39 -5.424 12.075 20.346 1.00 35.41 C ATOM 589 CE2 TYR A 39 -5.856 9.724 20.464 1.00 32.32 C ATOM 590 CZ TYR A 39 -6.242 10.994 20.088 1.00 24.34 C ATOM 591 OH TYR A 39 -7.447 11.184 19.452 1.00 21.52 O ATOM 0 H TYR A 39 -2.490 8.640 20.291 1.00 70.02 H new ATOM 0 HA TYR A 39 -1.034 11.114 20.652 1.00 64.05 H new ATOM 0 HB2 TYR A 39 -2.563 9.548 22.745 1.00 55.51 H new ATOM 0 HB3 TYR A 39 -2.261 11.274 22.689 1.00 55.51 H new ATOM 0 HD1 TYR A 39 -3.578 12.729 21.183 1.00 64.33 H new ATOM 0 HD2 TYR A 39 -4.347 8.542 21.397 1.00 52.43 H new ATOM 0 HE1 TYR A 39 -5.728 13.068 20.050 1.00 35.41 H new ATOM 0 HE2 TYR A 39 -6.497 8.879 20.260 1.00 32.32 H new ATOM 0 HH TYR A 39 -7.900 10.322 19.346 1.00 21.52 H new ATOM 601 N GLN A 40 0.926 10.458 22.001 1.00 53.12 N ATOM 602 CA GLN A 40 2.138 10.068 22.712 1.00 74.13 C ATOM 603 C GLN A 40 1.803 9.504 24.089 1.00 62.34 C ATOM 604 O GLN A 40 2.432 8.551 24.549 1.00 55.00 O ATOM 605 CB GLN A 40 3.079 11.265 22.853 1.00 42.12 C ATOM 606 CG GLN A 40 4.524 10.875 23.122 1.00 74.43 C ATOM 607 CD GLN A 40 5.405 12.071 23.422 1.00 22.31 C ATOM 608 OE1 GLN A 40 6.428 12.274 22.600 1.00 73.55 O flip ATOM 609 NE2 GLN A 40 5.170 12.805 24.383 1.00 23.33 N flip ATOM 0 H GLN A 40 0.949 11.402 21.615 1.00 53.12 H new ATOM 0 HA GLN A 40 2.635 9.291 22.132 1.00 74.13 H new ATOM 0 HB2 GLN A 40 3.036 11.860 21.941 1.00 42.12 H new ATOM 0 HB3 GLN A 40 2.726 11.901 23.665 1.00 42.12 H new ATOM 0 HG2 GLN A 40 4.559 10.183 23.963 1.00 74.43 H new ATOM 0 HG3 GLN A 40 4.920 10.345 22.256 1.00 74.43 H new ATOM 0 HE21 GLN A 40 4.373 12.612 24.989 1.00 23.33 H new ATOM 0 HE22 GLN A 40 5.773 13.606 24.572 1.00 23.33 H new ATOM 618 N ALA A 41 0.810 10.099 24.741 1.00 21.22 N ATOM 619 CA ALA A 41 0.391 9.655 26.065 1.00 65.42 C ATOM 620 C ALA A 41 -0.338 8.318 25.990 1.00 74.21 C ATOM 621 O ALA A 41 -0.256 7.501 26.907 1.00 23.13 O ATOM 622 CB ALA A 41 -0.494 10.705 26.719 1.00 45.42 C ATOM 0 H ALA A 41 0.280 10.890 24.374 1.00 21.22 H new ATOM 0 HA ALA A 41 1.284 9.519 26.675 1.00 65.42 H new ATOM 0 HB1 ALA A 41 -0.799 10.360 27.707 1.00 45.42 H new ATOM 0 HB2 ALA A 41 0.060 11.639 26.816 1.00 45.42 H new ATOM 0 HB3 ALA A 41 -1.378 10.870 26.103 1.00 45.42 H new ATOM 628 N LYS A 42 -1.054 8.101 24.892 1.00 71.43 N ATOM 629 CA LYS A 42 -1.799 6.863 24.696 1.00 60.53 C ATOM 630 C LYS A 42 -0.863 5.718 24.320 1.00 11.10 C ATOM 631 O LYS A 42 -1.070 4.575 24.729 1.00 2.33 O ATOM 632 CB LYS A 42 -2.858 7.047 23.607 1.00 53.52 C ATOM 633 CG LYS A 42 -4.074 7.833 24.068 1.00 44.42 C ATOM 634 CD LYS A 42 -4.790 7.133 25.210 1.00 12.21 C ATOM 635 CE LYS A 42 -6.196 7.681 25.405 1.00 23.34 C ATOM 636 NZ LYS A 42 -6.181 9.104 25.844 1.00 63.23 N ATOM 0 H LYS A 42 -1.134 8.767 24.124 1.00 71.43 H new ATOM 0 HA LYS A 42 -2.292 6.613 25.636 1.00 60.53 H new ATOM 0 HB2 LYS A 42 -2.407 7.557 22.756 1.00 53.52 H new ATOM 0 HB3 LYS A 42 -3.181 6.067 23.256 1.00 53.52 H new ATOM 0 HG2 LYS A 42 -3.765 8.829 24.387 1.00 44.42 H new ATOM 0 HG3 LYS A 42 -4.762 7.965 23.232 1.00 44.42 H new ATOM 0 HD2 LYS A 42 -4.840 6.063 25.008 1.00 12.21 H new ATOM 0 HD3 LYS A 42 -4.219 7.258 26.130 1.00 12.21 H new ATOM 0 HE2 LYS A 42 -6.752 7.595 24.471 1.00 23.34 H new ATOM 0 HE3 LYS A 42 -6.721 7.078 26.146 1.00 23.34 H new ATOM 0 HZ1 LYS A 42 -7.158 9.440 25.966 1.00 63.23 H new ATOM 0 HZ2 LYS A 42 -5.672 9.183 26.748 1.00 63.23 H new ATOM 0 HZ3 LYS A 42 -5.702 9.684 25.126 1.00 63.23 H new ATOM 650 N ILE A 43 0.166 6.033 23.541 1.00 40.02 N ATOM 651 CA ILE A 43 1.134 5.031 23.113 1.00 4.12 C ATOM 652 C ILE A 43 1.933 4.497 24.298 1.00 55.13 C ATOM 653 O ILE A 43 2.274 5.242 25.216 1.00 22.05 O ATOM 654 CB ILE A 43 2.110 5.602 22.067 1.00 71.53 C ATOM 655 CG1 ILE A 43 1.345 6.077 20.830 1.00 74.31 C ATOM 656 CG2 ILE A 43 3.148 4.557 21.685 1.00 32.31 C ATOM 657 CD1 ILE A 43 1.935 7.316 20.193 1.00 34.43 C ATOM 0 H ILE A 43 0.351 6.974 23.193 1.00 40.02 H new ATOM 0 HA ILE A 43 0.567 4.216 22.663 1.00 4.12 H new ATOM 0 HB ILE A 43 2.627 6.457 22.503 1.00 71.53 H new ATOM 0 HG12 ILE A 43 1.326 5.274 20.094 1.00 74.31 H new ATOM 0 HG13 ILE A 43 0.310 6.279 21.108 1.00 74.31 H new ATOM 0 HG21 ILE A 43 3.830 4.975 20.945 1.00 32.31 H new ATOM 0 HG22 ILE A 43 3.710 4.262 22.571 1.00 32.31 H new ATOM 0 HG23 ILE A 43 2.648 3.684 21.265 1.00 32.31 H new ATOM 0 HD11 ILE A 43 1.342 7.595 19.322 1.00 34.43 H new ATOM 0 HD12 ILE A 43 1.929 8.134 20.914 1.00 34.43 H new ATOM 0 HD13 ILE A 43 2.960 7.113 19.884 1.00 34.43 H new ATOM 669 N VAL A 44 2.228 3.201 24.269 1.00 5.51 N ATOM 670 CA VAL A 44 2.990 2.567 25.339 1.00 55.41 C ATOM 671 C VAL A 44 4.084 1.667 24.776 1.00 15.10 C ATOM 672 O VAL A 44 3.957 1.132 23.675 1.00 13.24 O ATOM 673 CB VAL A 44 2.077 1.734 26.259 1.00 4.40 C ATOM 674 CG1 VAL A 44 2.818 1.336 27.527 1.00 71.15 C ATOM 675 CG2 VAL A 44 0.810 2.507 26.593 1.00 71.43 C ATOM 0 H VAL A 44 1.951 2.570 23.517 1.00 5.51 H new ATOM 0 HA VAL A 44 3.447 3.368 25.921 1.00 55.41 H new ATOM 0 HB VAL A 44 1.792 0.824 25.732 1.00 4.40 H new ATOM 0 HG11 VAL A 44 2.158 0.748 28.165 1.00 71.15 H new ATOM 0 HG12 VAL A 44 3.694 0.742 27.265 1.00 71.15 H new ATOM 0 HG13 VAL A 44 3.134 2.233 28.060 1.00 71.15 H new ATOM 0 HG21 VAL A 44 0.177 1.904 27.244 1.00 71.43 H new ATOM 0 HG22 VAL A 44 1.073 3.435 27.101 1.00 71.43 H new ATOM 0 HG23 VAL A 44 0.271 2.737 25.674 1.00 71.43 H new ATOM 685 N GLY A 45 5.159 1.504 25.540 1.00 25.41 N ATOM 686 CA GLY A 45 6.261 0.667 25.101 1.00 72.30 C ATOM 687 C GLY A 45 7.291 0.445 26.191 1.00 51.33 C ATOM 688 O GLY A 45 7.969 1.382 26.615 1.00 72.43 O ATOM 0 H GLY A 45 5.287 1.936 26.455 1.00 25.41 H new ATOM 0 HA2 GLY A 45 5.872 -0.296 24.771 1.00 72.30 H new ATOM 0 HA3 GLY A 45 6.743 1.128 24.239 1.00 72.30 H new ATOM 692 N LYS A 46 7.409 -0.797 26.648 1.00 52.24 N ATOM 693 CA LYS A 46 8.363 -1.140 27.695 1.00 2.23 C ATOM 694 C LYS A 46 9.025 -2.484 27.409 1.00 3.13 C ATOM 695 O LYS A 46 8.360 -3.448 27.029 1.00 53.30 O ATOM 696 CB LYS A 46 7.664 -1.183 29.056 1.00 3.21 C ATOM 697 CG LYS A 46 8.615 -1.395 30.222 1.00 71.25 C ATOM 698 CD LYS A 46 8.294 -2.674 30.977 1.00 14.33 C ATOM 699 CE LYS A 46 8.539 -3.905 30.119 1.00 30.21 C ATOM 700 NZ LYS A 46 8.462 -5.161 30.916 1.00 44.20 N ATOM 0 H LYS A 46 6.855 -1.583 26.309 1.00 52.24 H new ATOM 0 HA LYS A 46 9.136 -0.371 27.714 1.00 2.23 H new ATOM 0 HB2 LYS A 46 7.121 -0.250 29.206 1.00 3.21 H new ATOM 0 HB3 LYS A 46 6.925 -1.984 29.050 1.00 3.21 H new ATOM 0 HG2 LYS A 46 9.640 -1.436 29.854 1.00 71.25 H new ATOM 0 HG3 LYS A 46 8.554 -0.545 30.902 1.00 71.25 H new ATOM 0 HD2 LYS A 46 8.906 -2.729 31.877 1.00 14.33 H new ATOM 0 HD3 LYS A 46 7.253 -2.656 31.300 1.00 14.33 H new ATOM 0 HE2 LYS A 46 7.804 -3.939 29.315 1.00 30.21 H new ATOM 0 HE3 LYS A 46 9.520 -3.832 29.651 1.00 30.21 H new ATOM 0 HZ1 LYS A 46 8.635 -5.977 30.295 1.00 44.20 H new ATOM 0 HZ2 LYS A 46 9.180 -5.140 31.668 1.00 44.20 H new ATOM 0 HZ3 LYS A 46 7.517 -5.244 31.342 1.00 44.20 H new ATOM 714 N THR A 47 10.340 -2.542 27.596 1.00 63.41 N ATOM 715 CA THR A 47 11.092 -3.768 27.358 1.00 22.14 C ATOM 716 C THR A 47 12.069 -4.043 28.496 1.00 71.11 C ATOM 717 O THR A 47 12.904 -3.202 28.827 1.00 73.24 O ATOM 718 CB THR A 47 11.872 -3.700 26.032 1.00 64.40 C ATOM 719 OG1 THR A 47 12.588 -4.923 25.821 1.00 13.15 O ATOM 720 CG2 THR A 47 12.846 -2.532 26.036 1.00 40.51 C ATOM 0 H THR A 47 10.906 -1.754 27.911 1.00 63.41 H new ATOM 0 HA THR A 47 10.366 -4.579 27.302 1.00 22.14 H new ATOM 0 HB THR A 47 11.156 -3.553 25.223 1.00 64.40 H new ATOM 0 HG1 THR A 47 13.545 -4.772 25.971 1.00 13.15 H new ATOM 0 HG21 THR A 47 13.385 -2.505 25.089 1.00 40.51 H new ATOM 0 HG22 THR A 47 12.296 -1.600 26.167 1.00 40.51 H new ATOM 0 HG23 THR A 47 13.556 -2.653 26.854 1.00 40.51 H new ATOM 728 N ASN A 48 11.959 -5.227 29.091 1.00 41.51 N ATOM 729 CA ASN A 48 12.834 -5.612 30.192 1.00 33.34 C ATOM 730 C ASN A 48 12.418 -6.962 30.770 1.00 14.55 C ATOM 731 O ASN A 48 11.297 -7.431 30.571 1.00 21.25 O ATOM 732 CB ASN A 48 12.809 -4.545 31.289 1.00 74.42 C ATOM 733 CG ASN A 48 14.184 -3.972 31.569 1.00 22.02 C ATOM 734 OD1 ASN A 48 14.620 -3.910 32.719 1.00 44.43 O ATOM 735 ND2 ASN A 48 14.875 -3.550 30.516 1.00 13.55 N ATOM 0 H ASN A 48 11.273 -5.935 28.829 1.00 41.51 H new ATOM 0 HA ASN A 48 13.849 -5.700 29.804 1.00 33.34 H new ATOM 0 HB2 ASN A 48 12.136 -3.740 30.994 1.00 74.42 H new ATOM 0 HB3 ASN A 48 12.406 -4.978 32.204 1.00 74.42 H new ATOM 0 HD21 ASN A 48 15.807 -3.155 30.642 1.00 13.55 H new ATOM 0 HD22 ASN A 48 14.474 -3.621 29.581 1.00 13.55 H new ATOM 742 N PRO A 49 13.340 -7.601 31.505 1.00 45.44 N ATOM 743 CA PRO A 49 13.093 -8.904 32.128 1.00 75.12 C ATOM 744 C PRO A 49 12.096 -8.816 33.279 1.00 61.33 C ATOM 745 O PRO A 49 11.326 -9.746 33.518 1.00 62.03 O ATOM 746 CB PRO A 49 14.472 -9.318 32.646 1.00 43.14 C ATOM 747 CG PRO A 49 15.202 -8.035 32.847 1.00 13.33 C ATOM 748 CD PRO A 49 14.697 -7.100 31.783 1.00 11.33 C ATOM 0 HA PRO A 49 12.656 -9.614 31.426 1.00 75.12 H new ATOM 0 HB2 PRO A 49 14.393 -9.879 33.577 1.00 43.14 H new ATOM 0 HB3 PRO A 49 14.988 -9.959 31.931 1.00 43.14 H new ATOM 0 HG2 PRO A 49 15.015 -7.631 33.842 1.00 13.33 H new ATOM 0 HG3 PRO A 49 16.279 -8.181 32.759 1.00 13.33 H new ATOM 0 HD2 PRO A 49 14.681 -6.067 32.131 1.00 11.33 H new ATOM 0 HD3 PRO A 49 15.326 -7.127 30.893 1.00 11.33 H new ATOM 756 N ALA A 50 12.116 -7.693 33.988 1.00 1.32 N ATOM 757 CA ALA A 50 11.212 -7.483 35.112 1.00 3.04 C ATOM 758 C ALA A 50 10.873 -6.005 35.275 1.00 34.34 C ATOM 759 O ALA A 50 9.774 -5.570 34.931 1.00 12.44 O ATOM 760 CB ALA A 50 11.827 -8.030 36.393 1.00 55.35 C ATOM 0 H ALA A 50 12.748 -6.914 33.804 1.00 1.32 H new ATOM 0 HA ALA A 50 10.286 -8.021 34.908 1.00 3.04 H new ATOM 0 HB1 ALA A 50 11.141 -7.867 37.224 1.00 55.35 H new ATOM 0 HB2 ALA A 50 12.013 -9.098 36.280 1.00 55.35 H new ATOM 0 HB3 ALA A 50 12.768 -7.517 36.593 1.00 55.35 H new ATOM 766 N ASP A 51 11.822 -5.240 35.802 1.00 13.34 N ATOM 767 CA ASP A 51 11.623 -3.810 36.011 1.00 70.12 C ATOM 768 C ASP A 51 12.948 -3.115 36.309 1.00 32.11 C ATOM 769 O ASP A 51 13.059 -2.354 37.271 1.00 51.31 O ATOM 770 CB ASP A 51 10.639 -3.572 37.157 1.00 74.20 C ATOM 771 CG ASP A 51 9.981 -2.208 37.081 1.00 35.53 C ATOM 772 OD1 ASP A 51 9.433 -1.873 36.011 1.00 74.24 O ATOM 773 OD2 ASP A 51 10.014 -1.476 38.092 1.00 22.15 O ATOM 0 H ASP A 51 12.737 -5.585 36.092 1.00 13.34 H new ATOM 0 HA ASP A 51 11.210 -3.388 35.095 1.00 70.12 H new ATOM 0 HB2 ASP A 51 9.870 -4.345 37.138 1.00 74.20 H new ATOM 0 HB3 ASP A 51 11.163 -3.667 38.108 1.00 74.20 H new ATOM 778 N LEU A 52 13.950 -3.383 35.479 1.00 1.44 N ATOM 779 CA LEU A 52 15.269 -2.784 35.654 1.00 12.34 C ATOM 780 C LEU A 52 15.474 -1.626 34.683 1.00 65.25 C ATOM 781 O LEU A 52 16.451 -0.883 34.784 1.00 44.35 O ATOM 782 CB LEU A 52 16.360 -3.836 35.450 1.00 32.21 C ATOM 783 CG LEU A 52 16.071 -5.223 36.027 1.00 44.34 C ATOM 784 CD1 LEU A 52 17.060 -6.243 35.484 1.00 52.14 C ATOM 785 CD2 LEU A 52 16.119 -5.188 37.547 1.00 32.43 C ATOM 0 H LEU A 52 13.875 -4.011 34.679 1.00 1.44 H new ATOM 0 HA LEU A 52 15.333 -2.397 36.671 1.00 12.34 H new ATOM 0 HB2 LEU A 52 16.541 -3.940 34.380 1.00 32.21 H new ATOM 0 HB3 LEU A 52 17.283 -3.464 35.895 1.00 32.21 H new ATOM 0 HG LEU A 52 15.068 -5.521 35.722 1.00 44.34 H new ATOM 0 HD11 LEU A 52 16.839 -7.224 35.905 1.00 52.14 H new ATOM 0 HD12 LEU A 52 16.977 -6.288 34.398 1.00 52.14 H new ATOM 0 HD13 LEU A 52 18.073 -5.950 35.759 1.00 52.14 H new ATOM 0 HD21 LEU A 52 15.911 -6.183 37.941 1.00 32.43 H new ATOM 0 HD22 LEU A 52 17.109 -4.869 37.873 1.00 32.43 H new ATOM 0 HD23 LEU A 52 15.371 -4.487 37.919 1.00 32.43 H new ATOM 797 N LEU A 53 14.547 -1.478 33.743 1.00 43.22 N ATOM 798 CA LEU A 53 14.625 -0.409 32.753 1.00 2.23 C ATOM 799 C LEU A 53 14.526 0.959 33.421 1.00 44.24 C ATOM 800 O LEU A 53 13.908 1.104 34.474 1.00 12.11 O ATOM 801 CB LEU A 53 13.511 -0.565 31.716 1.00 3.35 C ATOM 802 CG LEU A 53 13.567 0.390 30.523 1.00 32.31 C ATOM 803 CD1 LEU A 53 14.326 -0.244 29.368 1.00 42.12 C ATOM 804 CD2 LEU A 53 12.162 0.783 30.089 1.00 63.33 C ATOM 0 H LEU A 53 13.733 -2.084 33.645 1.00 43.22 H new ATOM 0 HA LEU A 53 15.591 -0.480 32.253 1.00 2.23 H new ATOM 0 HB2 LEU A 53 13.533 -1.587 31.339 1.00 3.35 H new ATOM 0 HB3 LEU A 53 12.553 -0.431 32.218 1.00 3.35 H new ATOM 0 HG LEU A 53 14.097 1.292 30.828 1.00 32.31 H new ATOM 0 HD11 LEU A 53 14.356 0.450 28.528 1.00 42.12 H new ATOM 0 HD12 LEU A 53 15.343 -0.475 29.684 1.00 42.12 H new ATOM 0 HD13 LEU A 53 13.824 -1.162 29.063 1.00 42.12 H new ATOM 0 HD21 LEU A 53 12.221 1.463 29.239 1.00 63.33 H new ATOM 0 HD22 LEU A 53 11.607 -0.110 29.802 1.00 63.33 H new ATOM 0 HD23 LEU A 53 11.651 1.278 30.915 1.00 63.33 H new ATOM 816 N GLY A 54 15.139 1.962 32.798 1.00 24.40 N ATOM 817 CA GLY A 54 15.107 3.305 33.345 1.00 13.40 C ATOM 818 C GLY A 54 13.821 4.035 33.013 1.00 55.51 C ATOM 819 O GLY A 54 12.813 3.873 33.701 1.00 51.44 O ATOM 0 H GLY A 54 15.657 1.867 31.924 1.00 24.40 H new ATOM 0 HA2 GLY A 54 15.224 3.256 34.428 1.00 13.40 H new ATOM 0 HA3 GLY A 54 15.954 3.872 32.958 1.00 13.40 H new ATOM 823 N GLN A 55 13.855 4.842 31.957 1.00 5.33 N ATOM 824 CA GLN A 55 12.684 5.602 31.538 1.00 74.43 C ATOM 825 C GLN A 55 12.571 5.632 30.017 1.00 13.51 C ATOM 826 O GLN A 55 13.563 5.534 29.295 1.00 74.15 O ATOM 827 CB GLN A 55 12.751 7.028 32.085 1.00 44.40 C ATOM 828 CG GLN A 55 14.031 7.761 31.717 1.00 44.12 C ATOM 829 CD GLN A 55 15.087 7.673 32.801 1.00 31.14 C ATOM 830 OE1 GLN A 55 16.152 7.088 32.601 1.00 11.02 O ATOM 831 NE2 GLN A 55 14.797 8.255 33.959 1.00 53.20 N ATOM 0 H GLN A 55 14.681 4.986 31.376 1.00 5.33 H new ATOM 0 HA GLN A 55 11.799 5.109 31.941 1.00 74.43 H new ATOM 0 HB2 GLN A 55 11.898 7.593 31.709 1.00 44.40 H new ATOM 0 HB3 GLN A 55 12.659 6.997 33.171 1.00 44.40 H new ATOM 0 HG2 GLN A 55 14.430 7.345 30.792 1.00 44.12 H new ATOM 0 HG3 GLN A 55 13.802 8.809 31.523 1.00 44.12 H new ATOM 0 HE21 GLN A 55 13.902 8.729 34.082 1.00 53.20 H new ATOM 0 HE22 GLN A 55 15.469 8.228 34.726 1.00 53.20 H new ATOM 840 N PRO A 56 11.334 5.772 29.518 1.00 53.22 N ATOM 841 CA PRO A 56 11.062 5.819 28.078 1.00 12.40 C ATOM 842 C PRO A 56 11.573 7.103 27.433 1.00 11.44 C ATOM 843 O PRO A 56 11.708 8.131 28.097 1.00 5.13 O ATOM 844 CB PRO A 56 9.534 5.755 28.003 1.00 23.22 C ATOM 845 CG PRO A 56 9.068 6.299 29.309 1.00 33.32 C ATOM 846 CD PRO A 56 10.105 5.895 30.320 1.00 2.32 C ATOM 0 HA PRO A 56 11.563 5.013 27.542 1.00 12.40 H new ATOM 0 HB2 PRO A 56 9.153 6.346 27.170 1.00 23.22 H new ATOM 0 HB3 PRO A 56 9.187 4.732 27.854 1.00 23.22 H new ATOM 0 HG2 PRO A 56 8.967 7.383 29.266 1.00 33.32 H new ATOM 0 HG3 PRO A 56 8.089 5.898 29.572 1.00 33.32 H new ATOM 0 HD2 PRO A 56 10.212 6.642 31.107 1.00 2.32 H new ATOM 0 HD3 PRO A 56 9.847 4.954 30.806 1.00 2.32 H new ATOM 854 N SER A 57 11.854 7.037 26.136 1.00 5.41 N ATOM 855 CA SER A 57 12.354 8.194 25.402 1.00 10.45 C ATOM 856 C SER A 57 11.585 8.385 24.099 1.00 74.41 C ATOM 857 O SER A 57 12.013 7.927 23.039 1.00 1.22 O ATOM 858 CB SER A 57 13.847 8.033 25.108 1.00 35.31 C ATOM 859 OG SER A 57 14.634 8.629 26.124 1.00 43.33 O ATOM 0 H SER A 57 11.744 6.195 25.571 1.00 5.41 H new ATOM 0 HA SER A 57 12.207 9.078 26.023 1.00 10.45 H new ATOM 0 HB2 SER A 57 14.093 6.974 25.027 1.00 35.31 H new ATOM 0 HB3 SER A 57 14.083 8.489 24.146 1.00 35.31 H new ATOM 0 HG SER A 57 15.584 8.511 25.914 1.00 43.33 H new ATOM 865 N PHE A 58 10.445 9.063 24.185 1.00 2.23 N ATOM 866 CA PHE A 58 9.614 9.314 23.014 1.00 40.04 C ATOM 867 C PHE A 58 10.369 10.144 21.979 1.00 74.30 C ATOM 868 O PHE A 58 11.224 10.958 22.325 1.00 44.11 O ATOM 869 CB PHE A 58 8.326 10.033 23.420 1.00 3.52 C ATOM 870 CG PHE A 58 7.608 9.376 24.564 1.00 0.40 C ATOM 871 CD1 PHE A 58 7.616 7.998 24.704 1.00 12.12 C ATOM 872 CD2 PHE A 58 6.925 10.137 25.499 1.00 54.32 C ATOM 873 CE1 PHE A 58 6.956 7.390 25.756 1.00 41.22 C ATOM 874 CE2 PHE A 58 6.264 9.535 26.553 1.00 55.23 C ATOM 875 CZ PHE A 58 6.278 8.160 26.681 1.00 63.03 C ATOM 0 H PHE A 58 10.076 9.448 25.054 1.00 2.23 H new ATOM 0 HA PHE A 58 9.359 8.353 22.568 1.00 40.04 H new ATOM 0 HB2 PHE A 58 8.564 11.061 23.693 1.00 3.52 H new ATOM 0 HB3 PHE A 58 7.658 10.078 22.560 1.00 3.52 H new ATOM 0 HD1 PHE A 58 8.144 7.391 23.983 1.00 12.12 H new ATOM 0 HD2 PHE A 58 6.909 11.213 25.403 1.00 54.32 H new ATOM 0 HE1 PHE A 58 6.971 6.315 25.854 1.00 41.22 H new ATOM 0 HE2 PHE A 58 5.737 10.140 27.276 1.00 55.23 H new ATOM 0 HZ PHE A 58 5.760 7.688 27.503 1.00 63.03 H new ATOM 885 N SER A 59 10.045 9.930 20.708 1.00 60.14 N ATOM 886 CA SER A 59 10.695 10.654 19.621 1.00 15.24 C ATOM 887 C SER A 59 10.179 12.088 19.540 1.00 72.34 C ATOM 888 O SER A 59 10.675 12.895 18.753 1.00 0.05 O ATOM 889 CB SER A 59 10.458 9.938 18.290 1.00 3.50 C ATOM 890 OG SER A 59 10.982 10.689 17.208 1.00 72.32 O ATOM 0 H SER A 59 9.337 9.261 20.405 1.00 60.14 H new ATOM 0 HA SER A 59 11.766 10.682 19.824 1.00 15.24 H new ATOM 0 HB2 SER A 59 10.926 8.954 18.314 1.00 3.50 H new ATOM 0 HB3 SER A 59 9.390 9.780 18.144 1.00 3.50 H new ATOM 0 HG SER A 59 11.162 11.606 17.503 1.00 72.32 H new ATOM 896 N LYS A 60 9.179 12.398 20.358 1.00 72.53 N ATOM 897 CA LYS A 60 8.594 13.733 20.381 1.00 4.21 C ATOM 898 C LYS A 60 7.926 14.058 19.049 1.00 34.21 C ATOM 899 O LYS A 60 8.598 14.265 18.040 1.00 1.21 O ATOM 900 CB LYS A 60 9.669 14.777 20.692 1.00 43.21 C ATOM 901 CG LYS A 60 9.139 15.996 21.428 1.00 62.42 C ATOM 902 CD LYS A 60 8.937 15.710 22.906 1.00 21.34 C ATOM 903 CE LYS A 60 7.513 16.017 23.344 1.00 42.11 C ATOM 904 NZ LYS A 60 7.205 17.471 23.247 1.00 75.44 N ATOM 0 H LYS A 60 8.756 11.742 21.015 1.00 72.53 H new ATOM 0 HA LYS A 60 7.835 13.756 21.163 1.00 4.21 H new ATOM 0 HB2 LYS A 60 10.452 14.313 21.292 1.00 43.21 H new ATOM 0 HB3 LYS A 60 10.131 15.099 19.759 1.00 43.21 H new ATOM 0 HG2 LYS A 60 9.836 16.826 21.309 1.00 62.42 H new ATOM 0 HG3 LYS A 60 8.194 16.308 20.984 1.00 62.42 H new ATOM 0 HD2 LYS A 60 9.164 14.663 23.109 1.00 21.34 H new ATOM 0 HD3 LYS A 60 9.636 16.307 23.492 1.00 21.34 H new ATOM 0 HE2 LYS A 60 6.813 15.455 22.725 1.00 42.11 H new ATOM 0 HE3 LYS A 60 7.369 15.683 24.371 1.00 42.11 H new ATOM 0 HZ1 LYS A 60 6.263 17.654 23.649 1.00 75.44 H new ATOM 0 HZ2 LYS A 60 7.918 18.013 23.776 1.00 75.44 H new ATOM 0 HZ3 LYS A 60 7.218 17.763 22.249 1.00 75.44 H new ATOM 918 N GLY A 61 6.597 14.101 19.054 1.00 14.53 N ATOM 919 CA GLY A 61 5.860 14.403 17.841 1.00 34.10 C ATOM 920 C GLY A 61 5.409 15.849 17.780 1.00 23.13 C ATOM 921 O GLY A 61 6.173 16.757 18.106 1.00 40.13 O ATOM 0 H GLY A 61 6.018 13.932 19.876 1.00 14.53 H new ATOM 0 HA2 GLY A 61 6.486 14.184 16.976 1.00 34.10 H new ATOM 0 HA3 GLY A 61 4.989 13.751 17.777 1.00 34.10 H new ATOM 925 N GLU A 62 4.166 16.063 17.361 1.00 60.11 N ATOM 926 CA GLU A 62 3.617 17.410 17.256 1.00 20.24 C ATOM 927 C GLU A 62 2.538 17.641 18.310 1.00 20.25 C ATOM 928 O GLU A 62 1.624 16.831 18.465 1.00 4.32 O ATOM 929 CB GLU A 62 3.038 17.642 15.859 1.00 23.40 C ATOM 930 CG GLU A 62 3.272 19.046 15.329 1.00 43.04 C ATOM 931 CD GLU A 62 4.407 19.109 14.325 1.00 43.00 C ATOM 932 OE1 GLU A 62 4.490 18.205 13.467 1.00 43.42 O ATOM 933 OE2 GLU A 62 5.212 20.061 14.398 1.00 61.14 O ATOM 0 H GLU A 62 3.520 15.322 17.089 1.00 60.11 H new ATOM 0 HA GLU A 62 4.427 18.119 17.428 1.00 20.24 H new ATOM 0 HB2 GLU A 62 3.479 16.924 15.168 1.00 23.40 H new ATOM 0 HB3 GLU A 62 1.966 17.445 15.882 1.00 23.40 H new ATOM 0 HG2 GLU A 62 2.358 19.411 14.861 1.00 43.04 H new ATOM 0 HG3 GLU A 62 3.492 19.713 16.163 1.00 43.04 H new ATOM 940 N GLU A 63 2.652 18.751 19.033 1.00 44.14 N ATOM 941 CA GLU A 63 1.688 19.088 20.073 1.00 73.31 C ATOM 942 C GLU A 63 0.425 19.695 19.468 1.00 2.22 C ATOM 943 O GLU A 63 0.493 20.621 18.660 1.00 44.05 O ATOM 944 CB GLU A 63 2.306 20.063 21.077 1.00 40.25 C ATOM 945 CG GLU A 63 2.839 19.390 22.330 1.00 3.31 C ATOM 946 CD GLU A 63 2.616 20.222 23.578 1.00 24.34 C ATOM 947 OE1 GLU A 63 1.478 20.693 23.782 1.00 4.44 O ATOM 948 OE2 GLU A 63 3.581 20.400 24.352 1.00 51.34 O ATOM 0 H GLU A 63 3.403 19.432 18.917 1.00 44.14 H new ATOM 0 HA GLU A 63 1.416 18.169 20.592 1.00 73.31 H new ATOM 0 HB2 GLU A 63 3.118 20.604 20.592 1.00 40.25 H new ATOM 0 HB3 GLU A 63 1.557 20.801 21.362 1.00 40.25 H new ATOM 0 HG2 GLU A 63 2.354 18.421 22.452 1.00 3.31 H new ATOM 0 HG3 GLU A 63 3.906 19.200 22.210 1.00 3.31 H new ATOM 955 N LYS A 64 -0.727 19.167 19.866 1.00 73.22 N ATOM 956 CA LYS A 64 -2.007 19.655 19.365 1.00 4.42 C ATOM 957 C LYS A 64 -3.081 19.570 20.444 1.00 14.52 C ATOM 958 O LYS A 64 -2.991 18.752 21.359 1.00 54.23 O ATOM 959 CB LYS A 64 -2.438 18.851 18.137 1.00 43.24 C ATOM 960 CG LYS A 64 -2.719 17.389 18.435 1.00 33.21 C ATOM 961 CD LYS A 64 -4.186 17.050 18.230 1.00 14.30 C ATOM 962 CE LYS A 64 -4.587 17.169 16.767 1.00 3.45 C ATOM 963 NZ LYS A 64 -4.053 16.042 15.953 1.00 55.50 N ATOM 0 H LYS A 64 -0.801 18.400 20.535 1.00 73.22 H new ATOM 0 HA LYS A 64 -1.883 20.700 19.082 1.00 4.42 H new ATOM 0 HB2 LYS A 64 -3.333 19.305 17.712 1.00 43.24 H new ATOM 0 HB3 LYS A 64 -1.657 18.915 17.379 1.00 43.24 H new ATOM 0 HG2 LYS A 64 -2.106 16.761 17.789 1.00 33.21 H new ATOM 0 HG3 LYS A 64 -2.433 17.165 19.463 1.00 33.21 H new ATOM 0 HD2 LYS A 64 -4.378 16.036 18.580 1.00 14.30 H new ATOM 0 HD3 LYS A 64 -4.802 17.717 18.833 1.00 14.30 H new ATOM 0 HE2 LYS A 64 -5.674 17.191 16.689 1.00 3.45 H new ATOM 0 HE3 LYS A 64 -4.220 18.113 16.365 1.00 3.45 H new ATOM 0 HZ1 LYS A 64 -4.403 16.122 14.977 1.00 55.50 H new ATOM 0 HZ2 LYS A 64 -3.014 16.077 15.952 1.00 55.50 H new ATOM 0 HZ3 LYS A 64 -4.369 15.139 16.361 1.00 55.50 H new ATOM 977 N GLU A 65 -4.097 20.420 20.329 1.00 14.14 N ATOM 978 CA GLU A 65 -5.189 20.439 21.296 1.00 52.22 C ATOM 979 C GLU A 65 -6.495 19.985 20.650 1.00 13.41 C ATOM 980 O GLU A 65 -6.851 20.435 19.561 1.00 42.43 O ATOM 981 CB GLU A 65 -5.358 21.843 21.881 1.00 44.02 C ATOM 982 CG GLU A 65 -4.041 22.526 22.212 1.00 14.22 C ATOM 983 CD GLU A 65 -4.199 23.627 23.244 1.00 62.45 C ATOM 984 OE1 GLU A 65 -5.173 24.401 23.141 1.00 4.45 O ATOM 985 OE2 GLU A 65 -3.347 23.712 24.153 1.00 13.33 O ATOM 0 H GLU A 65 -4.187 21.103 19.577 1.00 14.14 H new ATOM 0 HA GLU A 65 -4.941 19.746 22.100 1.00 52.22 H new ATOM 0 HB2 GLU A 65 -5.909 22.460 21.171 1.00 44.02 H new ATOM 0 HB3 GLU A 65 -5.963 21.780 22.786 1.00 44.02 H new ATOM 0 HG2 GLU A 65 -3.334 21.784 22.583 1.00 14.22 H new ATOM 0 HG3 GLU A 65 -3.614 22.945 21.301 1.00 14.22 H new ATOM 992 N ASP A 66 -7.205 19.091 21.330 1.00 42.43 N ATOM 993 CA ASP A 66 -8.472 18.576 20.824 1.00 42.12 C ATOM 994 C ASP A 66 -9.405 18.205 21.972 1.00 1.11 C ATOM 995 O ASP A 66 -9.145 18.539 23.127 1.00 13.35 O ATOM 996 CB ASP A 66 -8.231 17.357 19.931 1.00 13.44 C ATOM 997 CG ASP A 66 -9.136 17.343 18.715 1.00 34.23 C ATOM 998 OD1 ASP A 66 -9.217 18.379 18.023 1.00 4.14 O ATOM 999 OD2 ASP A 66 -9.765 16.295 18.456 1.00 52.22 O ATOM 0 H ASP A 66 -6.925 18.708 22.233 1.00 42.43 H new ATOM 0 HA ASP A 66 -8.946 19.361 20.234 1.00 42.12 H new ATOM 0 HB2 ASP A 66 -7.191 17.348 19.606 1.00 13.44 H new ATOM 0 HB3 ASP A 66 -8.392 16.448 20.511 1.00 13.44 H new ATOM 1004 N GLU A 67 -10.492 17.513 21.645 1.00 40.32 N ATOM 1005 CA GLU A 67 -11.464 17.099 22.649 1.00 13.15 C ATOM 1006 C GLU A 67 -11.401 15.592 22.879 1.00 73.23 C ATOM 1007 O GLU A 67 -12.066 15.059 23.767 1.00 14.45 O ATOM 1008 CB GLU A 67 -12.877 17.502 22.221 1.00 2.40 C ATOM 1009 CG GLU A 67 -13.196 17.158 20.776 1.00 51.00 C ATOM 1010 CD GLU A 67 -14.583 17.609 20.362 1.00 73.13 C ATOM 1011 OE1 GLU A 67 -15.109 18.556 20.984 1.00 60.05 O ATOM 1012 OE2 GLU A 67 -15.143 17.015 19.417 1.00 53.13 O ATOM 0 H GLU A 67 -10.721 17.228 20.693 1.00 40.32 H new ATOM 0 HA GLU A 67 -11.218 17.602 23.584 1.00 13.15 H new ATOM 0 HB2 GLU A 67 -13.599 17.008 22.871 1.00 2.40 H new ATOM 0 HB3 GLU A 67 -12.999 18.575 22.366 1.00 2.40 H new ATOM 0 HG2 GLU A 67 -12.457 17.623 20.124 1.00 51.00 H new ATOM 0 HG3 GLU A 67 -13.111 16.080 20.636 1.00 51.00 H new ATOM 1019 N PHE A 68 -10.597 14.909 22.070 1.00 53.40 N ATOM 1020 CA PHE A 68 -10.448 13.463 22.183 1.00 42.24 C ATOM 1021 C PHE A 68 -9.356 13.106 23.187 1.00 60.22 C ATOM 1022 O PHE A 68 -9.083 11.931 23.432 1.00 32.44 O ATOM 1023 CB PHE A 68 -10.120 12.855 20.817 1.00 4.24 C ATOM 1024 CG PHE A 68 -11.310 12.747 19.908 1.00 43.14 C ATOM 1025 CD1 PHE A 68 -12.035 13.874 19.557 1.00 13.54 C ATOM 1026 CD2 PHE A 68 -11.703 11.518 19.402 1.00 3.41 C ATOM 1027 CE1 PHE A 68 -13.131 13.778 18.721 1.00 73.50 C ATOM 1028 CE2 PHE A 68 -12.798 11.415 18.565 1.00 43.42 C ATOM 1029 CZ PHE A 68 -13.512 12.547 18.223 1.00 32.31 C ATOM 0 H PHE A 68 -10.039 15.334 21.329 1.00 53.40 H new ATOM 0 HA PHE A 68 -11.393 13.052 22.539 1.00 42.24 H new ATOM 0 HB2 PHE A 68 -9.356 13.463 20.332 1.00 4.24 H new ATOM 0 HB3 PHE A 68 -9.693 11.863 20.963 1.00 4.24 H new ATOM 0 HD1 PHE A 68 -11.740 14.839 19.941 1.00 13.54 H new ATOM 0 HD2 PHE A 68 -11.147 10.630 19.665 1.00 3.41 H new ATOM 0 HE1 PHE A 68 -13.689 14.664 18.457 1.00 73.50 H new ATOM 0 HE2 PHE A 68 -13.095 10.451 18.179 1.00 43.42 H new ATOM 0 HZ PHE A 68 -14.367 12.470 17.567 1.00 32.31 H new ATOM 1039 N PHE A 69 -8.734 14.128 23.764 1.00 2.42 N ATOM 1040 CA PHE A 69 -7.670 13.924 24.741 1.00 74.42 C ATOM 1041 C PHE A 69 -7.215 15.253 25.336 1.00 63.25 C ATOM 1042 O PHE A 69 -6.846 15.328 26.507 1.00 71.52 O ATOM 1043 CB PHE A 69 -6.483 13.209 24.091 1.00 35.14 C ATOM 1044 CG PHE A 69 -5.718 14.071 23.129 1.00 51.22 C ATOM 1045 CD1 PHE A 69 -6.344 14.619 22.021 1.00 42.23 C ATOM 1046 CD2 PHE A 69 -4.373 14.333 23.332 1.00 42.31 C ATOM 1047 CE1 PHE A 69 -5.642 15.413 21.133 1.00 15.51 C ATOM 1048 CE2 PHE A 69 -3.667 15.127 22.448 1.00 5.10 C ATOM 1049 CZ PHE A 69 -4.302 15.667 21.347 1.00 63.23 C ATOM 0 H PHE A 69 -8.948 15.107 23.572 1.00 2.42 H new ATOM 0 HA PHE A 69 -8.063 13.303 25.546 1.00 74.42 H new ATOM 0 HB2 PHE A 69 -5.807 12.861 24.872 1.00 35.14 H new ATOM 0 HB3 PHE A 69 -6.845 12.325 23.566 1.00 35.14 H new ATOM 0 HD1 PHE A 69 -7.392 14.424 21.849 1.00 42.23 H new ATOM 0 HD2 PHE A 69 -3.871 13.912 24.190 1.00 42.31 H new ATOM 0 HE1 PHE A 69 -6.141 15.834 20.273 1.00 15.51 H new ATOM 0 HE2 PHE A 69 -2.619 15.325 22.618 1.00 5.10 H new ATOM 0 HZ PHE A 69 -3.751 16.287 20.655 1.00 63.23 H new ATOM 1059 N GLY A 70 -7.243 16.301 24.518 1.00 43.02 N ATOM 1060 CA GLY A 70 -6.830 17.613 24.980 1.00 42.34 C ATOM 1061 C GLY A 70 -5.558 18.091 24.307 1.00 22.25 C ATOM 1062 O GLY A 70 -5.305 17.774 23.145 1.00 34.40 O ATOM 0 H GLY A 70 -7.544 16.265 23.544 1.00 43.02 H new ATOM 0 HA2 GLY A 70 -7.629 18.330 24.790 1.00 42.34 H new ATOM 0 HA3 GLY A 70 -6.678 17.584 26.059 1.00 42.34 H new ATOM 1066 N ARG A 71 -4.755 18.857 25.039 1.00 32.43 N ATOM 1067 CA ARG A 71 -3.504 19.381 24.506 1.00 40.13 C ATOM 1068 C ARG A 71 -2.332 18.479 24.882 1.00 10.31 C ATOM 1069 O ARG A 71 -1.851 18.511 26.015 1.00 54.35 O ATOM 1070 CB ARG A 71 -3.258 20.799 25.025 1.00 23.21 C ATOM 1071 CG ARG A 71 -3.371 20.922 26.536 1.00 50.22 C ATOM 1072 CD ARG A 71 -4.459 21.907 26.934 1.00 34.42 C ATOM 1073 NE ARG A 71 -4.164 22.564 28.204 1.00 14.24 N ATOM 1074 CZ ARG A 71 -4.758 23.682 28.609 1.00 63.14 C ATOM 1075 NH1 ARG A 71 -5.674 24.263 27.846 1.00 4.23 N ATOM 1076 NH2 ARG A 71 -4.435 24.220 29.778 1.00 54.11 N ATOM 0 H ARG A 71 -4.949 19.128 26.003 1.00 32.43 H new ATOM 0 HA ARG A 71 -3.584 19.408 23.419 1.00 40.13 H new ATOM 0 HB2 ARG A 71 -2.264 21.123 24.716 1.00 23.21 H new ATOM 0 HB3 ARG A 71 -3.973 21.477 24.559 1.00 23.21 H new ATOM 0 HG2 ARG A 71 -3.588 19.945 26.967 1.00 50.22 H new ATOM 0 HG3 ARG A 71 -2.416 21.247 26.948 1.00 50.22 H new ATOM 0 HD2 ARG A 71 -4.570 22.660 26.154 1.00 34.42 H new ATOM 0 HD3 ARG A 71 -5.412 21.384 27.009 1.00 34.42 H new ATOM 0 HE ARG A 71 -3.464 22.142 28.814 1.00 14.24 H new ATOM 0 HH11 ARG A 71 -5.924 23.852 26.947 1.00 4.23 H new ATOM 0 HH12 ARG A 71 -6.129 25.121 28.159 1.00 4.23 H new ATOM 0 HH21 ARG A 71 -3.730 23.776 30.367 1.00 54.11 H new ATOM 0 HH22 ARG A 71 -4.891 25.078 30.088 1.00 54.11 H new ATOM 1090 N GLN A 72 -1.879 17.676 23.925 1.00 44.41 N ATOM 1091 CA GLN A 72 -0.764 16.765 24.157 1.00 52.20 C ATOM 1092 C GLN A 72 -0.010 16.487 22.861 1.00 23.22 C ATOM 1093 O GLN A 72 -0.454 16.867 21.777 1.00 24.11 O ATOM 1094 CB GLN A 72 -1.268 15.453 24.760 1.00 70.22 C ATOM 1095 CG GLN A 72 -0.398 14.929 25.891 1.00 43.12 C ATOM 1096 CD GLN A 72 -1.153 14.806 27.200 1.00 40.35 C ATOM 1097 OE1 GLN A 72 -0.837 13.773 27.971 1.00 13.31 O flip ATOM 1098 NE2 GLN A 72 -2.011 15.631 27.514 1.00 71.41 N flip ATOM 0 H GLN A 72 -2.266 17.637 22.982 1.00 44.41 H new ATOM 0 HA GLN A 72 -0.079 17.240 24.859 1.00 52.20 H new ATOM 0 HB2 GLN A 72 -2.282 15.599 25.131 1.00 70.22 H new ATOM 0 HB3 GLN A 72 -1.322 14.699 23.975 1.00 70.22 H new ATOM 0 HG2 GLN A 72 0.003 13.954 25.614 1.00 43.12 H new ATOM 0 HG3 GLN A 72 0.453 15.596 26.028 1.00 43.12 H new ATOM 0 HE21 GLN A 72 -2.222 16.410 26.890 1.00 71.41 H new ATOM 0 HE22 GLN A 72 -2.511 15.536 28.398 1.00 71.41 H new ATOM 1107 N THR A 73 1.135 15.821 22.980 1.00 72.32 N ATOM 1108 CA THR A 73 1.952 15.493 21.819 1.00 61.45 C ATOM 1109 C THR A 73 1.457 14.221 21.139 1.00 54.30 C ATOM 1110 O THR A 73 1.097 13.250 21.804 1.00 61.51 O ATOM 1111 CB THR A 73 3.432 15.311 22.206 1.00 33.32 C ATOM 1112 OG1 THR A 73 3.656 15.809 23.530 1.00 42.33 O ATOM 1113 CG2 THR A 73 4.341 16.035 21.225 1.00 62.30 C ATOM 0 H THR A 73 1.517 15.499 23.869 1.00 72.32 H new ATOM 0 HA THR A 73 1.865 16.330 21.126 1.00 61.45 H new ATOM 0 HB THR A 73 3.665 14.247 22.174 1.00 33.32 H new ATOM 0 HG1 THR A 73 4.599 15.688 23.770 1.00 42.33 H new ATOM 0 HG21 THR A 73 5.381 15.892 21.519 1.00 62.30 H new ATOM 0 HG22 THR A 73 4.189 15.633 20.223 1.00 62.30 H new ATOM 0 HG23 THR A 73 4.106 17.099 21.229 1.00 62.30 H new ATOM 1121 N VAL A 74 1.441 14.234 19.810 1.00 74.22 N ATOM 1122 CA VAL A 74 0.991 13.080 19.040 1.00 53.53 C ATOM 1123 C VAL A 74 1.844 12.887 17.791 1.00 33.31 C ATOM 1124 O VAL A 74 2.694 13.718 17.472 1.00 54.51 O ATOM 1125 CB VAL A 74 -0.485 13.225 18.623 1.00 41.13 C ATOM 1126 CG1 VAL A 74 -1.354 13.533 19.832 1.00 32.44 C ATOM 1127 CG2 VAL A 74 -0.635 14.303 17.560 1.00 4.53 C ATOM 0 H VAL A 74 1.734 15.030 19.244 1.00 74.22 H new ATOM 0 HA VAL A 74 1.095 12.208 19.686 1.00 53.53 H new ATOM 0 HB VAL A 74 -0.819 12.278 18.198 1.00 41.13 H new ATOM 0 HG11 VAL A 74 -2.393 13.632 19.518 1.00 32.44 H new ATOM 0 HG12 VAL A 74 -1.270 12.723 20.557 1.00 32.44 H new ATOM 0 HG13 VAL A 74 -1.023 14.465 20.290 1.00 32.44 H new ATOM 0 HG21 VAL A 74 -1.684 14.392 17.277 1.00 4.53 H new ATOM 0 HG22 VAL A 74 -0.284 15.256 17.956 1.00 4.53 H new ATOM 0 HG23 VAL A 74 -0.045 14.035 16.684 1.00 4.53 H new ATOM 1137 N TYR A 75 1.611 11.784 17.088 1.00 41.11 N ATOM 1138 CA TYR A 75 2.360 11.479 15.874 1.00 14.43 C ATOM 1139 C TYR A 75 1.427 11.372 14.672 1.00 61.34 C ATOM 1140 O TYR A 75 0.367 10.750 14.747 1.00 70.42 O ATOM 1141 CB TYR A 75 3.141 10.176 16.046 1.00 65.01 C ATOM 1142 CG TYR A 75 4.060 10.175 17.247 1.00 64.34 C ATOM 1143 CD1 TYR A 75 5.135 11.051 17.325 1.00 43.52 C ATOM 1144 CD2 TYR A 75 3.853 9.297 18.304 1.00 72.03 C ATOM 1145 CE1 TYR A 75 5.978 11.053 18.420 1.00 53.04 C ATOM 1146 CE2 TYR A 75 4.689 9.293 19.403 1.00 23.52 C ATOM 1147 CZ TYR A 75 5.750 10.172 19.456 1.00 25.02 C ATOM 1148 OH TYR A 75 6.587 10.171 20.549 1.00 15.42 O ATOM 0 H TYR A 75 0.910 11.086 17.338 1.00 41.11 H new ATOM 0 HA TYR A 75 3.062 12.294 15.695 1.00 14.43 H new ATOM 0 HB2 TYR A 75 2.437 9.349 16.137 1.00 65.01 H new ATOM 0 HB3 TYR A 75 3.731 9.994 15.148 1.00 65.01 H new ATOM 0 HD1 TYR A 75 5.315 11.743 16.516 1.00 43.52 H new ATOM 0 HD2 TYR A 75 3.024 8.606 18.265 1.00 72.03 H new ATOM 0 HE1 TYR A 75 6.810 11.740 18.464 1.00 53.04 H new ATOM 0 HE2 TYR A 75 4.513 8.605 20.217 1.00 23.52 H new ATOM 0 HH TYR A 75 6.487 11.014 21.038 1.00 15.42 H new ATOM 1158 N HIS A 76 1.830 11.982 13.562 1.00 45.02 N ATOM 1159 CA HIS A 76 1.033 11.955 12.341 1.00 34.50 C ATOM 1160 C HIS A 76 1.584 10.930 11.354 1.00 23.24 C ATOM 1161 O HIS A 76 0.995 10.687 10.301 1.00 51.43 O ATOM 1162 CB HIS A 76 1.005 13.339 11.694 1.00 54.44 C ATOM 1163 CG HIS A 76 2.319 13.754 11.108 1.00 24.41 C ATOM 1164 ND1 HIS A 76 3.571 13.284 11.322 1.00 21.25 N flip ATOM 1165 CD2 HIS A 76 2.445 14.769 10.183 1.00 11.51 C flip ATOM 1166 CE1 HIS A 76 4.421 14.016 10.530 1.00 72.04 C flip ATOM 1167 NE2 HIS A 76 3.717 14.905 9.853 1.00 0.30 N flip ATOM 0 H HIS A 76 2.704 12.501 13.483 1.00 45.02 H new ATOM 0 HA HIS A 76 0.016 11.666 12.607 1.00 34.50 H new ATOM 0 HB2 HIS A 76 0.248 13.349 10.910 1.00 54.44 H new ATOM 0 HB3 HIS A 76 0.701 14.073 12.440 1.00 54.44 H new ATOM 0 HD2 HIS A 76 1.631 15.360 9.790 1.00 11.51 H new ATOM 0 HE1 HIS A 76 5.491 13.886 10.470 1.00 72.04 H new ATOM 0 HE2 HIS A 76 4.092 15.582 9.188 1.00 0.30 H new ATOM 1175 N HIS A 77 2.719 10.332 11.703 1.00 62.45 N ATOM 1176 CA HIS A 77 3.351 9.333 10.847 1.00 34.02 C ATOM 1177 C HIS A 77 4.560 8.711 11.540 1.00 75.25 C ATOM 1178 O HIS A 77 4.659 7.490 11.656 1.00 35.14 O ATOM 1179 CB HIS A 77 3.776 9.963 9.521 1.00 62.25 C ATOM 1180 CG HIS A 77 4.046 8.960 8.441 1.00 42.40 C ATOM 1181 ND1 HIS A 77 3.230 8.801 7.341 1.00 20.41 N ATOM 1182 CD2 HIS A 77 5.050 8.064 8.296 1.00 43.21 C ATOM 1183 CE1 HIS A 77 3.719 7.848 6.567 1.00 4.41 C ATOM 1184 NE2 HIS A 77 4.824 7.386 7.124 1.00 61.52 N ATOM 0 H HIS A 77 3.220 10.521 12.571 1.00 62.45 H new ATOM 0 HA HIS A 77 2.623 8.546 10.649 1.00 34.02 H new ATOM 0 HB2 HIS A 77 2.995 10.645 9.185 1.00 62.25 H new ATOM 0 HB3 HIS A 77 4.673 10.561 9.683 1.00 62.25 H new ATOM 0 HD2 HIS A 77 5.875 7.911 8.976 1.00 43.21 H new ATOM 0 HE1 HIS A 77 3.289 7.505 5.638 1.00 4.41 H new ATOM 0 HE2 HIS A 77 5.414 6.645 6.745 1.00 61.52 H new ATOM 1192 N GLU A 78 5.476 9.559 11.995 1.00 11.15 N ATOM 1193 CA GLU A 78 6.679 9.091 12.674 1.00 14.14 C ATOM 1194 C GLU A 78 6.440 8.961 14.176 1.00 50.10 C ATOM 1195 O GLU A 78 6.090 9.932 14.846 1.00 41.21 O ATOM 1196 CB GLU A 78 7.844 10.048 12.413 1.00 73.20 C ATOM 1197 CG GLU A 78 7.529 11.496 12.747 1.00 13.22 C ATOM 1198 CD GLU A 78 8.545 12.112 13.689 1.00 21.10 C ATOM 1199 OE1 GLU A 78 9.758 11.931 13.455 1.00 61.24 O ATOM 1200 OE2 GLU A 78 8.127 12.775 14.661 1.00 54.51 O ATOM 0 H GLU A 78 5.409 10.573 11.906 1.00 11.15 H new ATOM 0 HA GLU A 78 6.930 8.108 12.277 1.00 14.14 H new ATOM 0 HB2 GLU A 78 8.705 9.728 13.000 1.00 73.20 H new ATOM 0 HB3 GLU A 78 8.131 9.980 11.364 1.00 73.20 H new ATOM 0 HG2 GLU A 78 7.494 12.078 11.826 1.00 13.22 H new ATOM 0 HG3 GLU A 78 6.539 11.554 13.199 1.00 13.22 H new ATOM 1207 N ALA A 79 6.631 7.754 14.697 1.00 24.42 N ATOM 1208 CA ALA A 79 6.439 7.496 16.119 1.00 72.11 C ATOM 1209 C ALA A 79 7.432 6.457 16.628 1.00 71.20 C ATOM 1210 O ALA A 79 7.182 5.255 16.547 1.00 73.33 O ATOM 1211 CB ALA A 79 5.012 7.039 16.384 1.00 52.32 C ATOM 0 H ALA A 79 6.919 6.939 14.156 1.00 24.42 H new ATOM 0 HA ALA A 79 6.618 8.426 16.659 1.00 72.11 H new ATOM 0 HB1 ALA A 79 4.882 6.850 17.450 1.00 52.32 H new ATOM 0 HB2 ALA A 79 4.316 7.816 16.066 1.00 52.32 H new ATOM 0 HB3 ALA A 79 4.814 6.124 15.826 1.00 52.32 H new ATOM 1217 N GLN A 80 8.559 6.929 17.152 1.00 74.32 N ATOM 1218 CA GLN A 80 9.590 6.039 17.672 1.00 32.14 C ATOM 1219 C GLN A 80 9.853 6.316 19.149 1.00 61.11 C ATOM 1220 O GLN A 80 9.744 7.453 19.607 1.00 51.41 O ATOM 1221 CB GLN A 80 10.884 6.200 16.872 1.00 34.24 C ATOM 1222 CG GLN A 80 12.091 5.554 17.532 1.00 21.31 C ATOM 1223 CD GLN A 80 13.368 5.762 16.742 1.00 24.35 C ATOM 1224 OE1 GLN A 80 13.710 4.962 15.870 1.00 10.34 O ATOM 1225 NE2 GLN A 80 14.082 6.840 17.044 1.00 24.13 N ATOM 0 H GLN A 80 8.781 7.922 17.227 1.00 74.32 H new ATOM 0 HA GLN A 80 9.235 5.014 17.571 1.00 32.14 H new ATOM 0 HB2 GLN A 80 10.746 5.766 15.882 1.00 34.24 H new ATOM 0 HB3 GLN A 80 11.083 7.262 16.729 1.00 34.24 H new ATOM 0 HG2 GLN A 80 12.217 5.966 18.533 1.00 21.31 H new ATOM 0 HG3 GLN A 80 11.909 4.485 17.647 1.00 21.31 H new ATOM 0 HE21 GLN A 80 13.761 7.476 17.774 1.00 24.13 H new ATOM 0 HE22 GLN A 80 14.951 7.032 16.546 1.00 24.13 H new ATOM 1234 N VAL A 81 10.200 5.268 19.890 1.00 44.32 N ATOM 1235 CA VAL A 81 10.480 5.399 21.315 1.00 60.22 C ATOM 1236 C VAL A 81 11.763 4.666 21.692 1.00 14.25 C ATOM 1237 O VAL A 81 12.032 3.571 21.200 1.00 50.10 O ATOM 1238 CB VAL A 81 9.319 4.852 22.167 1.00 64.31 C ATOM 1239 CG1 VAL A 81 9.541 5.170 23.638 1.00 74.42 C ATOM 1240 CG2 VAL A 81 7.992 5.417 21.684 1.00 2.34 C ATOM 0 H VAL A 81 10.294 4.319 19.527 1.00 44.32 H new ATOM 0 HA VAL A 81 10.600 6.463 21.518 1.00 60.22 H new ATOM 0 HB VAL A 81 9.288 3.768 22.055 1.00 64.31 H new ATOM 0 HG11 VAL A 81 8.711 4.776 24.225 1.00 74.42 H new ATOM 0 HG12 VAL A 81 10.472 4.712 23.973 1.00 74.42 H new ATOM 0 HG13 VAL A 81 9.600 6.250 23.772 1.00 74.42 H new ATOM 0 HG21 VAL A 81 7.183 5.020 22.297 1.00 2.34 H new ATOM 0 HG22 VAL A 81 8.008 6.504 21.764 1.00 2.34 H new ATOM 0 HG23 VAL A 81 7.832 5.132 20.644 1.00 2.34 H new ATOM 1250 N ALA A 82 12.550 5.278 22.570 1.00 5.35 N ATOM 1251 CA ALA A 82 13.804 4.683 23.017 1.00 40.23 C ATOM 1252 C ALA A 82 13.673 4.120 24.428 1.00 74.35 C ATOM 1253 O ALA A 82 13.202 4.802 25.338 1.00 20.10 O ATOM 1254 CB ALA A 82 14.926 5.710 22.959 1.00 74.34 C ATOM 0 H ALA A 82 12.342 6.186 22.986 1.00 5.35 H new ATOM 0 HA ALA A 82 14.045 3.859 22.346 1.00 40.23 H new ATOM 0 HB1 ALA A 82 15.856 5.252 23.295 1.00 74.34 H new ATOM 0 HB2 ALA A 82 15.045 6.062 21.934 1.00 74.34 H new ATOM 0 HB3 ALA A 82 14.682 6.553 23.606 1.00 74.34 H new ATOM 1260 N PHE A 83 14.091 2.870 24.602 1.00 53.31 N ATOM 1261 CA PHE A 83 14.018 2.214 25.902 1.00 0.43 C ATOM 1262 C PHE A 83 15.415 1.938 26.451 1.00 71.33 C ATOM 1263 O PHE A 83 15.940 0.829 26.351 1.00 62.24 O ATOM 1264 CB PHE A 83 13.232 0.906 25.794 1.00 0.10 C ATOM 1265 CG PHE A 83 11.963 1.033 25.002 1.00 55.35 C ATOM 1266 CD1 PHE A 83 11.032 2.012 25.311 1.00 0.11 C ATOM 1267 CD2 PHE A 83 11.699 0.174 23.947 1.00 24.41 C ATOM 1268 CE1 PHE A 83 9.863 2.132 24.584 1.00 51.14 C ATOM 1269 CE2 PHE A 83 10.532 0.289 23.216 1.00 44.21 C ATOM 1270 CZ PHE A 83 9.612 1.269 23.535 1.00 24.32 C ATOM 0 H PHE A 83 14.484 2.292 23.859 1.00 53.31 H new ATOM 0 HA PHE A 83 13.502 2.883 26.590 1.00 0.43 H new ATOM 0 HB2 PHE A 83 13.865 0.148 25.332 1.00 0.10 H new ATOM 0 HB3 PHE A 83 12.991 0.552 26.797 1.00 0.10 H new ATOM 0 HD1 PHE A 83 11.223 2.690 26.130 1.00 0.11 H new ATOM 0 HD2 PHE A 83 12.414 -0.595 23.693 1.00 24.41 H new ATOM 0 HE1 PHE A 83 9.146 2.900 24.836 1.00 51.14 H new ATOM 0 HE2 PHE A 83 10.339 -0.387 22.396 1.00 44.21 H new ATOM 0 HZ PHE A 83 8.699 1.360 22.966 1.00 24.32 H new ATOM 1280 N PRO A 84 16.032 2.970 27.044 1.00 1.12 N ATOM 1281 CA PRO A 84 17.376 2.864 27.620 1.00 12.03 C ATOM 1282 C PRO A 84 17.401 2.000 28.876 1.00 24.24 C ATOM 1283 O PRO A 84 16.528 2.113 29.737 1.00 23.51 O ATOM 1284 CB PRO A 84 17.731 4.313 27.961 1.00 1.41 C ATOM 1285 CG PRO A 84 16.418 4.991 28.150 1.00 31.00 C ATOM 1286 CD PRO A 84 15.465 4.320 27.199 1.00 4.41 C ATOM 0 HA PRO A 84 18.077 2.389 26.934 1.00 12.03 H new ATOM 0 HB2 PRO A 84 18.339 4.370 28.864 1.00 1.41 H new ATOM 0 HB3 PRO A 84 18.305 4.779 27.160 1.00 1.41 H new ATOM 0 HG2 PRO A 84 16.074 4.895 29.180 1.00 31.00 H new ATOM 0 HG3 PRO A 84 16.495 6.057 27.938 1.00 31.00 H new ATOM 0 HD2 PRO A 84 14.453 4.287 27.601 1.00 4.41 H new ATOM 0 HD3 PRO A 84 15.412 4.846 26.246 1.00 4.41 H new ATOM 1294 N TYR A 85 18.407 1.138 28.975 1.00 23.13 N ATOM 1295 CA TYR A 85 18.545 0.253 30.126 1.00 62.02 C ATOM 1296 C TYR A 85 19.063 1.016 31.341 1.00 12.22 C ATOM 1297 O TYR A 85 19.720 2.048 31.207 1.00 62.34 O ATOM 1298 CB TYR A 85 19.490 -0.904 29.796 1.00 41.33 C ATOM 1299 CG TYR A 85 18.998 -1.785 28.670 1.00 44.35 C ATOM 1300 CD1 TYR A 85 17.648 -2.082 28.532 1.00 22.03 C ATOM 1301 CD2 TYR A 85 19.884 -2.319 27.742 1.00 63.00 C ATOM 1302 CE1 TYR A 85 17.195 -2.887 27.505 1.00 32.14 C ATOM 1303 CE2 TYR A 85 19.440 -3.124 26.711 1.00 53.11 C ATOM 1304 CZ TYR A 85 18.094 -3.405 26.597 1.00 23.42 C ATOM 1305 OH TYR A 85 17.646 -4.207 25.572 1.00 44.30 O ATOM 0 H TYR A 85 19.139 1.033 28.272 1.00 23.13 H new ATOM 0 HA TYR A 85 17.560 -0.148 30.364 1.00 62.02 H new ATOM 0 HB2 TYR A 85 20.467 -0.500 29.530 1.00 41.33 H new ATOM 0 HB3 TYR A 85 19.630 -1.514 30.689 1.00 41.33 H new ATOM 0 HD1 TYR A 85 16.940 -1.676 29.240 1.00 22.03 H new ATOM 0 HD2 TYR A 85 20.938 -2.101 27.828 1.00 63.00 H new ATOM 0 HE1 TYR A 85 16.142 -3.109 27.414 1.00 32.14 H new ATOM 0 HE2 TYR A 85 20.142 -3.531 25.998 1.00 53.11 H new ATOM 0 HH TYR A 85 17.084 -4.922 25.938 1.00 44.30 H new ATOM 1315 N ALA A 86 18.761 0.500 32.528 1.00 2.12 N ATOM 1316 CA ALA A 86 19.197 1.130 33.768 1.00 2.02 C ATOM 1317 C ALA A 86 20.144 0.219 34.543 1.00 15.53 C ATOM 1318 O ALA A 86 20.926 0.682 35.374 1.00 41.13 O ATOM 1319 CB ALA A 86 17.995 1.497 34.625 1.00 33.22 C ATOM 0 H ALA A 86 18.216 -0.353 32.657 1.00 2.12 H new ATOM 0 HA ALA A 86 19.739 2.041 33.513 1.00 2.02 H new ATOM 0 HB1 ALA A 86 18.336 1.967 35.548 1.00 33.22 H new ATOM 0 HB2 ALA A 86 17.357 2.192 34.079 1.00 33.22 H new ATOM 0 HB3 ALA A 86 17.430 0.596 34.864 1.00 33.22 H new ATOM 1325 N LYS A 87 20.067 -1.078 34.268 1.00 73.03 N ATOM 1326 CA LYS A 87 20.916 -2.055 34.938 1.00 4.24 C ATOM 1327 C LYS A 87 21.373 -3.137 33.966 1.00 62.52 C ATOM 1328 O LYS A 87 20.620 -3.552 33.085 1.00 32.05 O ATOM 1329 CB LYS A 87 20.169 -2.691 36.112 1.00 34.41 C ATOM 1330 CG LYS A 87 19.938 -1.741 37.274 1.00 42.40 C ATOM 1331 CD LYS A 87 21.222 -1.478 38.043 1.00 63.31 C ATOM 1332 CE LYS A 87 21.462 -2.539 39.106 1.00 61.52 C ATOM 1333 NZ LYS A 87 21.978 -1.950 40.372 1.00 1.41 N ATOM 0 H LYS A 87 19.424 -1.478 33.584 1.00 73.03 H new ATOM 0 HA LYS A 87 21.797 -1.535 35.315 1.00 4.24 H new ATOM 0 HB2 LYS A 87 19.206 -3.062 35.761 1.00 34.41 H new ATOM 0 HB3 LYS A 87 20.733 -3.554 36.466 1.00 34.41 H new ATOM 0 HG2 LYS A 87 19.537 -0.799 36.901 1.00 42.40 H new ATOM 0 HG3 LYS A 87 19.190 -2.162 37.946 1.00 42.40 H new ATOM 0 HD2 LYS A 87 22.064 -1.458 37.351 1.00 63.31 H new ATOM 0 HD3 LYS A 87 21.171 -0.496 38.513 1.00 63.31 H new ATOM 0 HE2 LYS A 87 20.531 -3.070 39.306 1.00 61.52 H new ATOM 0 HE3 LYS A 87 22.174 -3.274 38.731 1.00 61.52 H new ATOM 0 HZ1 LYS A 87 22.128 -2.706 41.070 1.00 1.41 H new ATOM 0 HZ2 LYS A 87 22.879 -1.465 40.187 1.00 1.41 H new ATOM 0 HZ3 LYS A 87 21.287 -1.267 40.744 1.00 1.41 H new ATOM 1347 N ALA A 88 22.611 -3.592 34.132 1.00 51.00 N ATOM 1348 CA ALA A 88 23.166 -4.629 33.271 1.00 41.20 C ATOM 1349 C ALA A 88 22.234 -5.833 33.190 1.00 13.23 C ATOM 1350 O ALA A 88 21.578 -6.190 34.169 1.00 1.33 O ATOM 1351 CB ALA A 88 24.538 -5.054 33.774 1.00 52.23 C ATOM 0 H ALA A 88 23.248 -3.258 34.855 1.00 51.00 H new ATOM 0 HA ALA A 88 23.271 -4.216 32.268 1.00 41.20 H new ATOM 0 HB1 ALA A 88 24.941 -5.829 33.122 1.00 52.23 H new ATOM 0 HB2 ALA A 88 25.208 -4.194 33.773 1.00 52.23 H new ATOM 0 HB3 ALA A 88 24.449 -5.444 34.788 1.00 52.23 H new ATOM 1357 N VAL A 89 22.179 -6.455 32.017 1.00 34.31 N ATOM 1358 CA VAL A 89 21.327 -7.620 31.809 1.00 55.01 C ATOM 1359 C VAL A 89 21.901 -8.536 30.734 1.00 12.01 C ATOM 1360 O VAL A 89 22.272 -8.084 29.652 1.00 75.04 O ATOM 1361 CB VAL A 89 19.899 -7.206 31.406 1.00 52.12 C ATOM 1362 CG1 VAL A 89 19.199 -6.506 32.561 1.00 44.21 C ATOM 1363 CG2 VAL A 89 19.931 -6.316 30.173 1.00 52.33 C ATOM 0 H VAL A 89 22.714 -6.172 31.196 1.00 34.31 H new ATOM 0 HA VAL A 89 21.288 -8.157 32.757 1.00 55.01 H new ATOM 0 HB VAL A 89 19.334 -8.106 31.162 1.00 52.12 H new ATOM 0 HG11 VAL A 89 18.192 -6.221 32.257 1.00 44.21 H new ATOM 0 HG12 VAL A 89 19.143 -7.181 33.415 1.00 44.21 H new ATOM 0 HG13 VAL A 89 19.760 -5.614 32.839 1.00 44.21 H new ATOM 0 HG21 VAL A 89 18.914 -6.033 29.902 1.00 52.33 H new ATOM 0 HG22 VAL A 89 20.513 -5.419 30.387 1.00 52.33 H new ATOM 0 HG23 VAL A 89 20.390 -6.857 29.345 1.00 52.33 H new ATOM 1373 N GLY A 90 21.971 -9.828 31.041 1.00 42.12 N ATOM 1374 CA GLY A 90 22.501 -10.788 30.091 1.00 63.14 C ATOM 1375 C GLY A 90 21.463 -11.800 29.648 1.00 53.41 C ATOM 1376 O GLY A 90 21.704 -12.586 28.733 1.00 43.02 O ATOM 0 H GLY A 90 21.670 -10.226 31.930 1.00 42.12 H new ATOM 0 HA2 GLY A 90 22.883 -10.258 29.218 1.00 63.14 H new ATOM 0 HA3 GLY A 90 23.345 -11.311 30.540 1.00 63.14 H new ATOM 1380 N GLU A 91 20.304 -11.780 30.300 1.00 64.41 N ATOM 1381 CA GLU A 91 19.227 -12.705 29.969 1.00 32.41 C ATOM 1382 C GLU A 91 18.184 -12.031 29.082 1.00 63.23 C ATOM 1383 O GLU A 91 18.160 -10.810 28.927 1.00 11.05 O ATOM 1384 CB GLU A 91 18.565 -13.229 31.245 1.00 35.21 C ATOM 1385 CG GLU A 91 19.007 -14.631 31.629 1.00 73.31 C ATOM 1386 CD GLU A 91 18.099 -15.267 32.664 1.00 55.42 C ATOM 1387 OE1 GLU A 91 18.279 -14.981 33.866 1.00 1.21 O ATOM 1388 OE2 GLU A 91 17.208 -16.049 32.272 1.00 70.21 O ATOM 0 H GLU A 91 20.088 -11.134 31.059 1.00 64.41 H new ATOM 0 HA GLU A 91 19.658 -13.543 29.421 1.00 32.41 H new ATOM 0 HB2 GLU A 91 18.790 -12.549 32.066 1.00 35.21 H new ATOM 0 HB3 GLU A 91 17.483 -13.222 31.112 1.00 35.21 H new ATOM 0 HG2 GLU A 91 19.030 -15.258 30.737 1.00 73.31 H new ATOM 0 HG3 GLU A 91 20.024 -14.593 32.018 1.00 73.31 H new ATOM 1395 N PRO A 92 17.302 -12.845 28.483 1.00 30.13 N ATOM 1396 CA PRO A 92 16.241 -12.351 27.601 1.00 12.51 C ATOM 1397 C PRO A 92 15.165 -11.583 28.362 1.00 21.11 C ATOM 1398 O PRO A 92 14.859 -11.899 29.512 1.00 22.51 O ATOM 1399 CB PRO A 92 15.658 -13.630 26.996 1.00 52.12 C ATOM 1400 CG PRO A 92 15.960 -14.693 27.994 1.00 24.41 C ATOM 1401 CD PRO A 92 17.272 -14.311 28.622 1.00 0.21 C ATOM 0 HA PRO A 92 16.622 -11.648 26.860 1.00 12.51 H new ATOM 0 HB2 PRO A 92 14.585 -13.536 26.830 1.00 52.12 H new ATOM 0 HB3 PRO A 92 16.111 -13.853 26.030 1.00 52.12 H new ATOM 0 HG2 PRO A 92 15.172 -14.758 28.745 1.00 24.41 H new ATOM 0 HG3 PRO A 92 16.026 -15.670 27.515 1.00 24.41 H new ATOM 0 HD2 PRO A 92 17.322 -14.617 29.667 1.00 0.21 H new ATOM 0 HD3 PRO A 92 18.113 -14.780 28.112 1.00 0.21 H new ATOM 1409 N TYR A 93 14.594 -10.574 27.714 1.00 63.03 N ATOM 1410 CA TYR A 93 13.554 -9.760 28.331 1.00 73.15 C ATOM 1411 C TYR A 93 12.295 -9.740 27.469 1.00 60.25 C ATOM 1412 O TYR A 93 12.310 -10.172 26.316 1.00 43.25 O ATOM 1413 CB TYR A 93 14.057 -8.333 28.551 1.00 51.40 C ATOM 1414 CG TYR A 93 15.050 -7.873 27.508 1.00 40.23 C ATOM 1415 CD1 TYR A 93 16.403 -8.167 27.631 1.00 55.04 C ATOM 1416 CD2 TYR A 93 14.636 -7.144 26.400 1.00 44.42 C ATOM 1417 CE1 TYR A 93 17.314 -7.748 26.680 1.00 32.53 C ATOM 1418 CE2 TYR A 93 15.540 -6.722 25.444 1.00 63.31 C ATOM 1419 CZ TYR A 93 16.878 -7.027 25.589 1.00 52.13 C ATOM 1420 OH TYR A 93 17.781 -6.608 24.639 1.00 5.24 O ATOM 0 H TYR A 93 14.834 -10.300 26.761 1.00 63.03 H new ATOM 0 HA TYR A 93 13.306 -10.203 29.295 1.00 73.15 H new ATOM 0 HB2 TYR A 93 13.205 -7.653 28.554 1.00 51.40 H new ATOM 0 HB3 TYR A 93 14.521 -8.268 29.535 1.00 51.40 H new ATOM 0 HD1 TYR A 93 16.748 -8.732 28.484 1.00 55.04 H new ATOM 0 HD2 TYR A 93 13.590 -6.903 26.284 1.00 44.42 H new ATOM 0 HE1 TYR A 93 18.362 -7.984 26.791 1.00 32.53 H new ATOM 0 HE2 TYR A 93 15.201 -6.157 24.588 1.00 63.31 H new ATOM 0 HH TYR A 93 18.176 -5.756 24.917 1.00 5.24 H new ATOM 1430 N LYS A 94 11.205 -9.235 28.036 1.00 21.13 N ATOM 1431 CA LYS A 94 9.937 -9.155 27.322 1.00 75.41 C ATOM 1432 C LYS A 94 9.599 -7.710 26.971 1.00 4.33 C ATOM 1433 O LYS A 94 9.956 -6.784 27.701 1.00 14.24 O ATOM 1434 CB LYS A 94 8.813 -9.762 28.166 1.00 43.10 C ATOM 1435 CG LYS A 94 7.892 -10.681 27.383 1.00 62.04 C ATOM 1436 CD LYS A 94 6.516 -10.065 27.197 1.00 13.10 C ATOM 1437 CE LYS A 94 5.489 -11.108 26.783 1.00 63.12 C ATOM 1438 NZ LYS A 94 4.558 -11.443 27.896 1.00 45.00 N ATOM 0 H LYS A 94 11.175 -8.874 28.990 1.00 21.13 H new ATOM 0 HA LYS A 94 10.035 -9.722 26.396 1.00 75.41 H new ATOM 0 HB2 LYS A 94 9.252 -10.320 28.993 1.00 43.10 H new ATOM 0 HB3 LYS A 94 8.223 -8.957 28.603 1.00 43.10 H new ATOM 0 HG2 LYS A 94 8.331 -10.893 26.408 1.00 62.04 H new ATOM 0 HG3 LYS A 94 7.798 -11.633 27.905 1.00 62.04 H new ATOM 0 HD2 LYS A 94 6.200 -9.591 28.126 1.00 13.10 H new ATOM 0 HD3 LYS A 94 6.566 -9.282 26.440 1.00 13.10 H new ATOM 0 HE2 LYS A 94 4.918 -10.738 25.931 1.00 63.12 H new ATOM 0 HE3 LYS A 94 6.002 -12.012 26.454 1.00 63.12 H new ATOM 0 HZ1 LYS A 94 3.758 -11.995 27.525 1.00 45.00 H new ATOM 0 HZ2 LYS A 94 5.062 -12.003 28.613 1.00 45.00 H new ATOM 0 HZ3 LYS A 94 4.203 -10.566 28.328 1.00 45.00 H new ATOM 1452 N LEU A 95 8.910 -7.523 25.851 1.00 1.22 N ATOM 1453 CA LEU A 95 8.523 -6.189 25.405 1.00 60.04 C ATOM 1454 C LEU A 95 7.005 -6.063 25.317 1.00 24.12 C ATOM 1455 O LEU A 95 6.312 -7.015 24.958 1.00 25.34 O ATOM 1456 CB LEU A 95 9.151 -5.883 24.044 1.00 73.35 C ATOM 1457 CG LEU A 95 9.136 -4.417 23.612 1.00 51.42 C ATOM 1458 CD1 LEU A 95 10.221 -4.153 22.580 1.00 43.12 C ATOM 1459 CD2 LEU A 95 7.769 -4.037 23.060 1.00 4.22 C ATOM 0 H LEU A 95 8.608 -8.278 25.235 1.00 1.22 H new ATOM 0 HA LEU A 95 8.887 -5.468 26.137 1.00 60.04 H new ATOM 0 HB2 LEU A 95 10.186 -6.226 24.058 1.00 73.35 H new ATOM 0 HB3 LEU A 95 8.631 -6.469 23.286 1.00 73.35 H new ATOM 0 HG LEU A 95 9.337 -3.799 24.487 1.00 51.42 H new ATOM 0 HD11 LEU A 95 10.195 -3.104 22.285 1.00 43.12 H new ATOM 0 HD12 LEU A 95 11.196 -4.385 23.009 1.00 43.12 H new ATOM 0 HD13 LEU A 95 10.051 -4.781 21.705 1.00 43.12 H new ATOM 0 HD21 LEU A 95 7.777 -2.990 22.758 1.00 4.22 H new ATOM 0 HD22 LEU A 95 7.538 -4.662 22.197 1.00 4.22 H new ATOM 0 HD23 LEU A 95 7.012 -4.187 23.829 1.00 4.22 H new ATOM 1471 N VAL A 96 6.495 -4.881 25.646 1.00 51.52 N ATOM 1472 CA VAL A 96 5.060 -4.628 25.601 1.00 34.43 C ATOM 1473 C VAL A 96 4.762 -3.247 25.030 1.00 52.21 C ATOM 1474 O VAL A 96 5.042 -2.228 25.663 1.00 55.45 O ATOM 1475 CB VAL A 96 4.426 -4.740 27.001 1.00 64.41 C ATOM 1476 CG1 VAL A 96 2.909 -4.699 26.906 1.00 51.25 C ATOM 1477 CG2 VAL A 96 4.891 -6.012 27.695 1.00 75.11 C ATOM 0 H VAL A 96 7.055 -4.083 25.947 1.00 51.52 H new ATOM 0 HA VAL A 96 4.626 -5.388 24.951 1.00 34.43 H new ATOM 0 HB VAL A 96 4.751 -3.887 27.597 1.00 64.41 H new ATOM 0 HG11 VAL A 96 2.480 -4.779 27.905 1.00 51.25 H new ATOM 0 HG12 VAL A 96 2.598 -3.758 26.452 1.00 51.25 H new ATOM 0 HG13 VAL A 96 2.560 -5.530 26.293 1.00 51.25 H new ATOM 0 HG21 VAL A 96 4.434 -6.076 28.683 1.00 75.11 H new ATOM 0 HG22 VAL A 96 4.597 -6.878 27.102 1.00 75.11 H new ATOM 0 HG23 VAL A 96 5.976 -5.995 27.798 1.00 75.11 H new ATOM 1487 N LEU A 97 4.192 -3.219 23.830 1.00 22.21 N ATOM 1488 CA LEU A 97 3.855 -1.962 23.172 1.00 50.30 C ATOM 1489 C LEU A 97 2.354 -1.866 22.916 1.00 64.53 C ATOM 1490 O LEU A 97 1.721 -2.837 22.499 1.00 63.21 O ATOM 1491 CB LEU A 97 4.618 -1.833 21.853 1.00 64.03 C ATOM 1492 CG LEU A 97 5.662 -0.717 21.787 1.00 21.42 C ATOM 1493 CD1 LEU A 97 6.916 -1.201 21.076 1.00 42.13 C ATOM 1494 CD2 LEU A 97 5.090 0.508 21.090 1.00 72.04 C ATOM 0 H LEU A 97 3.954 -4.053 23.293 1.00 22.21 H new ATOM 0 HA LEU A 97 4.145 -1.146 23.833 1.00 50.30 H new ATOM 0 HB2 LEU A 97 5.116 -2.781 21.650 1.00 64.03 H new ATOM 0 HB3 LEU A 97 3.895 -1.675 21.052 1.00 64.03 H new ATOM 0 HG LEU A 97 5.932 -0.437 22.805 1.00 21.42 H new ATOM 0 HD11 LEU A 97 7.647 -0.394 21.038 1.00 42.13 H new ATOM 0 HD12 LEU A 97 7.337 -2.048 21.618 1.00 42.13 H new ATOM 0 HD13 LEU A 97 6.663 -1.509 20.061 1.00 42.13 H new ATOM 0 HD21 LEU A 97 5.847 1.292 21.052 1.00 72.04 H new ATOM 0 HD22 LEU A 97 4.791 0.243 20.076 1.00 72.04 H new ATOM 0 HD23 LEU A 97 4.222 0.868 21.642 1.00 72.04 H new ATOM 1506 N THR A 98 1.790 -0.689 23.166 1.00 71.02 N ATOM 1507 CA THR A 98 0.364 -0.466 22.961 1.00 22.14 C ATOM 1508 C THR A 98 0.117 0.794 22.140 1.00 71.12 C ATOM 1509 O THR A 98 0.559 1.883 22.507 1.00 32.22 O ATOM 1510 CB THR A 98 -0.383 -0.346 24.303 1.00 55.42 C ATOM 1511 OG1 THR A 98 -0.162 -1.518 25.094 1.00 23.13 O ATOM 1512 CG2 THR A 98 -1.876 -0.156 24.075 1.00 4.14 C ATOM 0 H THR A 98 2.299 0.125 23.511 1.00 71.02 H new ATOM 0 HA THR A 98 -0.017 -1.330 22.417 1.00 22.14 H new ATOM 0 HB THR A 98 0.003 0.526 24.832 1.00 55.42 H new ATOM 0 HG1 THR A 98 -0.086 -2.299 24.507 1.00 23.13 H new ATOM 0 HG21 THR A 98 -2.383 -0.074 25.036 1.00 4.14 H new ATOM 0 HG22 THR A 98 -2.043 0.753 23.497 1.00 4.14 H new ATOM 0 HG23 THR A 98 -2.272 -1.011 23.528 1.00 4.14 H new ATOM 1520 N TYR A 99 -0.592 0.639 21.027 1.00 1.22 N ATOM 1521 CA TYR A 99 -0.897 1.765 20.152 1.00 4.13 C ATOM 1522 C TYR A 99 -2.374 2.136 20.236 1.00 72.20 C ATOM 1523 O TYR A 99 -3.244 1.266 20.224 1.00 35.35 O ATOM 1524 CB TYR A 99 -0.524 1.430 18.707 1.00 54.20 C ATOM 1525 CG TYR A 99 0.423 0.258 18.582 1.00 53.34 C ATOM 1526 CD1 TYR A 99 1.717 0.329 19.083 1.00 52.34 C ATOM 1527 CD2 TYR A 99 0.024 -0.919 17.961 1.00 22.35 C ATOM 1528 CE1 TYR A 99 2.586 -0.739 18.970 1.00 41.53 C ATOM 1529 CE2 TYR A 99 0.886 -1.993 17.845 1.00 0.45 C ATOM 1530 CZ TYR A 99 2.166 -1.897 18.351 1.00 71.41 C ATOM 1531 OH TYR A 99 3.028 -2.964 18.236 1.00 11.21 O ATOM 0 H TYR A 99 -0.966 -0.255 20.710 1.00 1.22 H new ATOM 0 HA TYR A 99 -0.308 2.620 20.483 1.00 4.13 H new ATOM 0 HB2 TYR A 99 -1.434 1.213 18.147 1.00 54.20 H new ATOM 0 HB3 TYR A 99 -0.067 2.306 18.246 1.00 54.20 H new ATOM 0 HD1 TYR A 99 2.049 1.234 19.569 1.00 52.34 H new ATOM 0 HD2 TYR A 99 -0.977 -0.996 17.562 1.00 22.35 H new ATOM 0 HE1 TYR A 99 3.589 -0.667 19.364 1.00 41.53 H new ATOM 0 HE2 TYR A 99 0.560 -2.902 17.361 1.00 0.45 H new ATOM 0 HH TYR A 99 3.654 -2.961 18.990 1.00 11.21 H new ATOM 1541 N GLN A 100 -2.648 3.434 20.320 1.00 71.35 N ATOM 1542 CA GLN A 100 -4.020 3.920 20.405 1.00 2.43 C ATOM 1543 C GLN A 100 -4.125 5.348 19.880 1.00 43.24 C ATOM 1544 O GLN A 100 -3.423 6.245 20.346 1.00 53.13 O ATOM 1545 CB GLN A 100 -4.516 3.859 21.851 1.00 23.01 C ATOM 1546 CG GLN A 100 -5.853 4.550 22.066 1.00 62.35 C ATOM 1547 CD GLN A 100 -6.536 4.114 23.347 1.00 71.34 C ATOM 1548 OE1 GLN A 100 -5.899 3.570 24.249 1.00 33.33 O ATOM 1549 NE2 GLN A 100 -7.840 4.351 23.433 1.00 62.21 N ATOM 0 H GLN A 100 -1.939 4.167 20.331 1.00 71.35 H new ATOM 0 HA GLN A 100 -4.645 3.277 19.786 1.00 2.43 H new ATOM 0 HB2 GLN A 100 -4.603 2.815 22.152 1.00 23.01 H new ATOM 0 HB3 GLN A 100 -3.771 4.317 22.501 1.00 23.01 H new ATOM 0 HG2 GLN A 100 -5.700 5.629 22.089 1.00 62.35 H new ATOM 0 HG3 GLN A 100 -6.507 4.339 21.220 1.00 62.35 H new ATOM 0 HE21 GLN A 100 -8.328 4.805 22.661 1.00 62.21 H new ATOM 0 HE22 GLN A 100 -8.354 4.079 24.271 1.00 62.21 H new ATOM 1558 N GLY A 101 -5.006 5.552 18.905 1.00 61.21 N ATOM 1559 CA GLY A 101 -5.186 6.873 18.331 1.00 22.34 C ATOM 1560 C GLY A 101 -6.468 6.988 17.531 1.00 31.51 C ATOM 1561 O GLY A 101 -7.417 6.235 17.754 1.00 4.54 O ATOM 0 H GLY A 101 -5.598 4.826 18.502 1.00 61.21 H new ATOM 0 HA2 GLY A 101 -5.192 7.615 19.130 1.00 22.34 H new ATOM 0 HA3 GLY A 101 -4.338 7.105 17.687 1.00 22.34 H new ATOM 1565 N SER A 102 -6.498 7.933 16.597 1.00 71.41 N ATOM 1566 CA SER A 102 -7.676 8.147 15.764 1.00 1.34 C ATOM 1567 C SER A 102 -7.275 8.576 14.356 1.00 21.41 C ATOM 1568 O SER A 102 -6.122 8.928 14.107 1.00 15.33 O ATOM 1569 CB SER A 102 -8.584 9.206 16.392 1.00 34.14 C ATOM 1570 OG SER A 102 -8.897 10.227 15.461 1.00 0.20 O ATOM 0 H SER A 102 -5.721 8.563 16.398 1.00 71.41 H new ATOM 0 HA SER A 102 -8.220 7.205 15.697 1.00 1.34 H new ATOM 0 HB2 SER A 102 -9.503 8.738 16.746 1.00 34.14 H new ATOM 0 HB3 SER A 102 -8.092 9.641 17.262 1.00 34.14 H new ATOM 0 HG SER A 102 -8.202 10.917 15.486 1.00 0.20 H new ATOM 1576 N ALA A 103 -8.235 8.542 13.438 1.00 33.31 N ATOM 1577 CA ALA A 103 -7.984 8.928 12.055 1.00 32.22 C ATOM 1578 C ALA A 103 -8.163 10.430 11.864 1.00 41.05 C ATOM 1579 O ALA A 103 -9.084 11.030 12.417 1.00 63.20 O ATOM 1580 CB ALA A 103 -8.905 8.161 11.118 1.00 71.04 C ATOM 0 H ALA A 103 -9.194 8.251 13.627 1.00 33.31 H new ATOM 0 HA ALA A 103 -6.950 8.678 11.815 1.00 32.22 H new ATOM 0 HB1 ALA A 103 -8.707 8.459 10.088 1.00 71.04 H new ATOM 0 HB2 ALA A 103 -8.726 7.091 11.227 1.00 71.04 H new ATOM 0 HB3 ALA A 103 -9.943 8.382 11.366 1.00 71.04 H new ATOM 1586 N GLU A 104 -7.276 11.031 11.077 1.00 43.30 N ATOM 1587 CA GLU A 104 -7.336 12.464 10.815 1.00 41.53 C ATOM 1588 C GLU A 104 -8.674 12.847 10.188 1.00 4.21 C ATOM 1589 O GLU A 104 -9.082 14.007 10.231 1.00 42.31 O ATOM 1590 CB GLU A 104 -6.189 12.885 9.893 1.00 54.40 C ATOM 1591 CG GLU A 104 -5.048 13.577 10.619 1.00 65.14 C ATOM 1592 CD GLU A 104 -5.468 14.890 11.250 1.00 43.00 C ATOM 1593 OE1 GLU A 104 -6.142 15.688 10.565 1.00 21.22 O ATOM 1594 OE2 GLU A 104 -5.122 15.120 12.428 1.00 54.14 O ATOM 0 H GLU A 104 -6.508 10.548 10.610 1.00 43.30 H new ATOM 0 HA GLU A 104 -7.238 12.986 11.767 1.00 41.53 H new ATOM 0 HB2 GLU A 104 -5.802 12.003 9.382 1.00 54.40 H new ATOM 0 HB3 GLU A 104 -6.578 13.553 9.125 1.00 54.40 H new ATOM 0 HG2 GLU A 104 -4.660 12.914 11.393 1.00 65.14 H new ATOM 0 HG3 GLU A 104 -4.234 13.759 9.918 1.00 65.14 H new ATOM 1601 N ALA A 105 -9.351 11.863 9.606 1.00 62.11 N ATOM 1602 CA ALA A 105 -10.642 12.095 8.972 1.00 54.23 C ATOM 1603 C ALA A 105 -11.741 12.277 10.014 1.00 61.14 C ATOM 1604 O ALA A 105 -12.730 12.968 9.773 1.00 30.21 O ATOM 1605 CB ALA A 105 -10.985 10.946 8.036 1.00 71.34 C ATOM 0 H ALA A 105 -9.026 10.897 9.561 1.00 62.11 H new ATOM 0 HA ALA A 105 -10.573 13.014 8.391 1.00 54.23 H new ATOM 0 HB1 ALA A 105 -11.952 11.133 7.569 1.00 71.34 H new ATOM 0 HB2 ALA A 105 -10.220 10.864 7.264 1.00 71.34 H new ATOM 0 HB3 ALA A 105 -11.029 10.016 8.603 1.00 71.34 H new ATOM 1611 N GLY A 106 -11.560 11.651 11.173 1.00 74.12 N ATOM 1612 CA GLY A 106 -12.545 11.756 12.234 1.00 71.34 C ATOM 1613 C GLY A 106 -13.079 10.404 12.665 1.00 43.01 C ATOM 1614 O GLY A 106 -14.287 10.224 12.814 1.00 55.31 O ATOM 0 H GLY A 106 -10.749 11.073 11.396 1.00 74.12 H new ATOM 0 HA2 GLY A 106 -12.098 12.257 13.092 1.00 71.34 H new ATOM 0 HA3 GLY A 106 -13.373 12.380 11.897 1.00 71.34 H new ATOM 1618 N VAL A 107 -12.176 9.449 12.865 1.00 44.23 N ATOM 1619 CA VAL A 107 -12.562 8.106 13.281 1.00 51.42 C ATOM 1620 C VAL A 107 -11.792 7.673 14.523 1.00 64.22 C ATOM 1621 O VAL A 107 -10.613 7.994 14.678 1.00 3.10 O ATOM 1622 CB VAL A 107 -12.323 7.080 12.157 1.00 11.15 C ATOM 1623 CG1 VAL A 107 -12.534 5.665 12.673 1.00 21.33 C ATOM 1624 CG2 VAL A 107 -13.234 7.366 10.973 1.00 64.32 C ATOM 0 H VAL A 107 -11.172 9.581 12.746 1.00 44.23 H new ATOM 0 HA VAL A 107 -13.627 8.139 13.511 1.00 51.42 H new ATOM 0 HB VAL A 107 -11.290 7.168 11.821 1.00 11.15 H new ATOM 0 HG11 VAL A 107 -12.361 4.954 11.865 1.00 21.33 H new ATOM 0 HG12 VAL A 107 -11.837 5.467 13.487 1.00 21.33 H new ATOM 0 HG13 VAL A 107 -13.556 5.559 13.037 1.00 21.33 H new ATOM 0 HG21 VAL A 107 -13.052 6.632 10.188 1.00 64.32 H new ATOM 0 HG22 VAL A 107 -14.275 7.306 11.292 1.00 64.32 H new ATOM 0 HG23 VAL A 107 -13.029 8.365 10.589 1.00 64.32 H new ATOM 1634 N CYS A 108 -12.464 6.942 15.404 1.00 34.52 N ATOM 1635 CA CYS A 108 -11.843 6.463 16.634 1.00 1.31 C ATOM 1636 C CYS A 108 -11.864 4.939 16.697 1.00 44.51 C ATOM 1637 O CYS A 108 -12.929 4.325 16.762 1.00 4.14 O ATOM 1638 CB CYS A 108 -12.560 7.046 17.853 1.00 74.24 C ATOM 1639 SG CYS A 108 -14.360 6.878 17.800 1.00 60.23 S ATOM 0 H CYS A 108 -13.440 6.667 15.290 1.00 34.52 H new ATOM 0 HA CYS A 108 -10.805 6.794 16.640 1.00 1.31 H new ATOM 0 HB2 CYS A 108 -12.186 6.554 18.751 1.00 74.24 H new ATOM 0 HB3 CYS A 108 -12.307 8.103 17.939 1.00 74.24 H new ATOM 0 HG CYS A 108 -14.673 5.707 17.329 1.00 60.23 H new ATOM 1645 N TYR A 109 -10.681 4.336 16.675 1.00 63.33 N ATOM 1646 CA TYR A 109 -10.563 2.883 16.725 1.00 41.31 C ATOM 1647 C TYR A 109 -10.011 2.428 18.072 1.00 33.34 C ATOM 1648 O TYR A 109 -9.405 3.198 18.817 1.00 42.33 O ATOM 1649 CB TYR A 109 -9.659 2.385 15.596 1.00 22.32 C ATOM 1650 CG TYR A 109 -8.500 3.309 15.295 1.00 35.32 C ATOM 1651 CD1 TYR A 109 -8.656 4.393 14.440 1.00 5.02 C ATOM 1652 CD2 TYR A 109 -7.251 3.097 15.865 1.00 50.22 C ATOM 1653 CE1 TYR A 109 -7.600 5.240 14.162 1.00 60.34 C ATOM 1654 CE2 TYR A 109 -6.190 3.939 15.593 1.00 13.41 C ATOM 1655 CZ TYR A 109 -6.370 5.009 14.741 1.00 64.02 C ATOM 1656 OH TYR A 109 -5.315 5.849 14.467 1.00 51.45 O ATOM 0 H TYR A 109 -9.790 4.830 16.623 1.00 63.33 H new ATOM 0 HA TYR A 109 -11.559 2.458 16.598 1.00 41.31 H new ATOM 0 HB2 TYR A 109 -9.270 1.402 15.861 1.00 22.32 H new ATOM 0 HB3 TYR A 109 -10.256 2.259 14.693 1.00 22.32 H new ATOM 0 HD1 TYR A 109 -9.618 4.577 13.985 1.00 5.02 H new ATOM 0 HD2 TYR A 109 -7.107 2.260 16.532 1.00 50.22 H new ATOM 0 HE1 TYR A 109 -7.737 6.078 13.495 1.00 60.34 H new ATOM 0 HE2 TYR A 109 -5.225 3.761 16.045 1.00 13.41 H new ATOM 0 HH TYR A 109 -5.382 6.167 13.543 1.00 51.45 H new ATOM 1666 N PRO A 110 -10.226 1.143 18.394 1.00 4.45 N ATOM 1667 CA PRO A 110 -9.757 0.554 19.652 1.00 34.04 C ATOM 1668 C PRO A 110 -8.240 0.414 19.697 1.00 23.14 C ATOM 1669 O PRO A 110 -7.566 0.369 18.668 1.00 24.32 O ATOM 1670 CB PRO A 110 -10.422 -0.825 19.667 1.00 14.32 C ATOM 1671 CG PRO A 110 -10.661 -1.146 18.232 1.00 11.41 C ATOM 1672 CD PRO A 110 -10.941 0.168 17.555 1.00 31.42 C ATOM 0 HA PRO A 110 -10.010 1.174 20.512 1.00 34.04 H new ATOM 0 HB2 PRO A 110 -9.779 -1.569 20.137 1.00 14.32 H new ATOM 0 HB3 PRO A 110 -11.355 -0.808 20.230 1.00 14.32 H new ATOM 0 HG2 PRO A 110 -9.792 -1.635 17.791 1.00 11.41 H new ATOM 0 HG3 PRO A 110 -11.502 -1.830 18.120 1.00 11.41 H new ATOM 0 HD2 PRO A 110 -10.575 0.177 16.528 1.00 31.42 H new ATOM 0 HD3 PRO A 110 -12.009 0.380 17.515 1.00 31.42 H new ATOM 1680 N PRO A 111 -7.687 0.343 20.917 1.00 31.25 N ATOM 1681 CA PRO A 111 -6.243 0.206 21.125 1.00 25.35 C ATOM 1682 C PRO A 111 -5.724 -1.165 20.703 1.00 4.43 C ATOM 1683 O PRO A 111 -6.458 -2.152 20.727 1.00 31.24 O ATOM 1684 CB PRO A 111 -6.082 0.396 22.636 1.00 41.32 C ATOM 1685 CG PRO A 111 -7.398 0.000 23.210 1.00 72.33 C ATOM 1686 CD PRO A 111 -8.430 0.390 22.188 1.00 51.30 C ATOM 0 HA PRO A 111 -5.676 0.921 20.529 1.00 25.35 H new ATOM 0 HB2 PRO A 111 -5.276 -0.224 23.029 1.00 41.32 H new ATOM 0 HB3 PRO A 111 -5.838 1.430 22.881 1.00 41.32 H new ATOM 0 HG2 PRO A 111 -7.431 -1.071 23.408 1.00 72.33 H new ATOM 0 HG3 PRO A 111 -7.578 0.506 24.159 1.00 72.33 H new ATOM 0 HD2 PRO A 111 -9.274 -0.300 22.186 1.00 51.30 H new ATOM 0 HD3 PRO A 111 -8.832 1.385 22.382 1.00 51.30 H new ATOM 1694 N VAL A 112 -4.453 -1.218 20.317 1.00 3.20 N ATOM 1695 CA VAL A 112 -3.835 -2.468 19.891 1.00 41.21 C ATOM 1696 C VAL A 112 -2.561 -2.748 20.680 1.00 61.01 C ATOM 1697 O VAL A 112 -1.588 -1.999 20.594 1.00 64.04 O ATOM 1698 CB VAL A 112 -3.500 -2.445 18.388 1.00 51.43 C ATOM 1699 CG1 VAL A 112 -3.037 -3.817 17.922 1.00 3.44 C ATOM 1700 CG2 VAL A 112 -4.703 -1.977 17.582 1.00 64.34 C ATOM 0 H VAL A 112 -3.831 -0.410 20.291 1.00 3.20 H new ATOM 0 HA VAL A 112 -4.559 -3.260 20.082 1.00 41.21 H new ATOM 0 HB VAL A 112 -2.685 -1.739 18.226 1.00 51.43 H new ATOM 0 HG11 VAL A 112 -2.805 -3.781 16.858 1.00 3.44 H new ATOM 0 HG12 VAL A 112 -2.146 -4.108 18.478 1.00 3.44 H new ATOM 0 HG13 VAL A 112 -3.828 -4.546 18.096 1.00 3.44 H new ATOM 0 HG21 VAL A 112 -4.449 -1.967 16.522 1.00 64.34 H new ATOM 0 HG22 VAL A 112 -5.539 -2.656 17.748 1.00 64.34 H new ATOM 0 HG23 VAL A 112 -4.984 -0.972 17.898 1.00 64.34 H new ATOM 1710 N ASP A 113 -2.574 -3.832 21.448 1.00 1.53 N ATOM 1711 CA ASP A 113 -1.418 -4.213 22.252 1.00 14.43 C ATOM 1712 C ASP A 113 -0.620 -5.318 21.567 1.00 14.43 C ATOM 1713 O ASP A 113 -1.190 -6.235 20.975 1.00 53.55 O ATOM 1714 CB ASP A 113 -1.866 -4.675 23.640 1.00 41.21 C ATOM 1715 CG ASP A 113 -0.720 -5.232 24.462 1.00 12.40 C ATOM 1716 OD1 ASP A 113 0.248 -4.484 24.712 1.00 21.21 O ATOM 1717 OD2 ASP A 113 -0.792 -6.415 24.855 1.00 64.23 O ATOM 0 H ASP A 113 -3.372 -4.462 21.531 1.00 1.53 H new ATOM 0 HA ASP A 113 -0.776 -3.339 22.358 1.00 14.43 H new ATOM 0 HB2 ASP A 113 -2.316 -3.836 24.171 1.00 41.21 H new ATOM 0 HB3 ASP A 113 -2.638 -5.437 23.535 1.00 41.21 H new ATOM 1722 N THR A 114 0.703 -5.224 21.651 1.00 21.14 N ATOM 1723 CA THR A 114 1.580 -6.214 21.038 1.00 12.31 C ATOM 1724 C THR A 114 2.858 -6.394 21.849 1.00 11.10 C ATOM 1725 O THR A 114 3.560 -5.426 22.140 1.00 31.22 O ATOM 1726 CB THR A 114 1.951 -5.818 19.596 1.00 24.35 C ATOM 1727 OG1 THR A 114 1.285 -4.604 19.234 1.00 1.44 O ATOM 1728 CG2 THR A 114 1.574 -6.921 18.619 1.00 51.35 C ATOM 0 H THR A 114 1.191 -4.472 22.138 1.00 21.14 H new ATOM 0 HA THR A 114 1.031 -7.155 21.019 1.00 12.31 H new ATOM 0 HB THR A 114 3.029 -5.667 19.550 1.00 24.35 H new ATOM 0 HG1 THR A 114 1.886 -4.050 18.694 1.00 1.44 H new ATOM 0 HG21 THR A 114 1.845 -6.619 17.607 1.00 51.35 H new ATOM 0 HG22 THR A 114 2.106 -7.836 18.880 1.00 51.35 H new ATOM 0 HG23 THR A 114 0.500 -7.100 18.669 1.00 51.35 H new ATOM 1736 N GLU A 115 3.154 -7.639 22.210 1.00 12.40 N ATOM 1737 CA GLU A 115 4.349 -7.944 22.988 1.00 33.00 C ATOM 1738 C GLU A 115 5.417 -8.592 22.112 1.00 4.32 C ATOM 1739 O GLU A 115 5.114 -9.422 21.255 1.00 41.31 O ATOM 1740 CB GLU A 115 4.001 -8.869 24.156 1.00 61.41 C ATOM 1741 CG GLU A 115 3.279 -8.168 25.294 1.00 31.21 C ATOM 1742 CD GLU A 115 3.201 -9.018 26.547 1.00 31.43 C ATOM 1743 OE1 GLU A 115 2.381 -9.959 26.576 1.00 32.54 O ATOM 1744 OE2 GLU A 115 3.961 -8.742 27.499 1.00 31.01 O ATOM 0 H GLU A 115 2.583 -8.452 21.976 1.00 12.40 H new ATOM 0 HA GLU A 115 4.745 -7.008 23.381 1.00 33.00 H new ATOM 0 HB2 GLU A 115 3.378 -9.684 23.789 1.00 61.41 H new ATOM 0 HB3 GLU A 115 4.918 -9.316 24.540 1.00 61.41 H new ATOM 0 HG2 GLU A 115 3.792 -7.234 25.524 1.00 31.21 H new ATOM 0 HG3 GLU A 115 2.271 -7.907 24.973 1.00 31.21 H new ATOM 1751 N PHE A 116 6.670 -8.206 22.334 1.00 15.30 N ATOM 1752 CA PHE A 116 7.784 -8.747 21.565 1.00 51.23 C ATOM 1753 C PHE A 116 8.822 -9.383 22.485 1.00 73.23 C ATOM 1754 O PHE A 116 9.310 -8.749 23.420 1.00 44.33 O ATOM 1755 CB PHE A 116 8.436 -7.645 20.727 1.00 11.42 C ATOM 1756 CG PHE A 116 7.461 -6.882 19.877 1.00 13.51 C ATOM 1757 CD1 PHE A 116 6.645 -7.542 18.972 1.00 5.12 C ATOM 1758 CD2 PHE A 116 7.360 -5.504 19.983 1.00 54.43 C ATOM 1759 CE1 PHE A 116 5.747 -6.843 18.189 1.00 53.34 C ATOM 1760 CE2 PHE A 116 6.462 -4.799 19.202 1.00 25.32 C ATOM 1761 CZ PHE A 116 5.656 -5.469 18.303 1.00 31.42 C ATOM 0 H PHE A 116 6.938 -7.521 23.040 1.00 15.30 H new ATOM 0 HA PHE A 116 7.393 -9.517 20.900 1.00 51.23 H new ATOM 0 HB2 PHE A 116 8.948 -6.949 21.392 1.00 11.42 H new ATOM 0 HB3 PHE A 116 9.196 -8.090 20.084 1.00 11.42 H new ATOM 0 HD1 PHE A 116 6.712 -8.616 18.878 1.00 5.12 H new ATOM 0 HD2 PHE A 116 7.989 -4.975 20.683 1.00 54.43 H new ATOM 0 HE1 PHE A 116 5.116 -7.370 17.488 1.00 53.34 H new ATOM 0 HE2 PHE A 116 6.391 -3.725 19.295 1.00 25.32 H new ATOM 0 HZ PHE A 116 4.956 -4.920 17.690 1.00 31.42 H new ATOM 1771 N ASP A 117 9.153 -10.641 22.213 1.00 54.44 N ATOM 1772 CA ASP A 117 10.132 -11.364 23.015 1.00 65.14 C ATOM 1773 C ASP A 117 11.546 -11.117 22.498 1.00 5.33 C ATOM 1774 O ASP A 117 11.875 -11.471 21.366 1.00 70.32 O ATOM 1775 CB ASP A 117 9.827 -12.863 23.002 1.00 14.44 C ATOM 1776 CG ASP A 117 9.289 -13.354 24.332 1.00 75.53 C ATOM 1777 OD1 ASP A 117 8.294 -12.777 24.819 1.00 62.52 O ATOM 1778 OD2 ASP A 117 9.862 -14.316 24.885 1.00 3.14 O ATOM 0 H ASP A 117 8.757 -11.181 21.443 1.00 54.44 H new ATOM 0 HA ASP A 117 10.068 -10.997 24.039 1.00 65.14 H new ATOM 0 HB2 ASP A 117 9.101 -13.077 22.218 1.00 14.44 H new ATOM 0 HB3 ASP A 117 10.734 -13.414 22.754 1.00 14.44 H new ATOM 1783 N ILE A 118 12.378 -10.506 23.335 1.00 10.34 N ATOM 1784 CA ILE A 118 13.756 -10.211 22.963 1.00 21.02 C ATOM 1785 C ILE A 118 14.716 -11.239 23.552 1.00 63.35 C ATOM 1786 O ILE A 118 14.704 -11.498 24.755 1.00 25.21 O ATOM 1787 CB ILE A 118 14.177 -8.805 23.431 1.00 63.42 C ATOM 1788 CG1 ILE A 118 13.053 -7.800 23.173 1.00 31.23 C ATOM 1789 CG2 ILE A 118 15.454 -8.373 22.725 1.00 52.21 C ATOM 1790 CD1 ILE A 118 12.682 -7.670 21.713 1.00 51.53 C ATOM 0 H ILE A 118 12.122 -10.206 24.275 1.00 10.34 H new ATOM 0 HA ILE A 118 13.805 -10.253 21.875 1.00 21.02 H new ATOM 0 HB ILE A 118 14.370 -8.837 24.503 1.00 63.42 H new ATOM 0 HG12 ILE A 118 12.171 -8.101 23.738 1.00 31.23 H new ATOM 0 HG13 ILE A 118 13.356 -6.823 23.551 1.00 31.23 H new ATOM 0 HG21 ILE A 118 15.739 -7.378 23.066 1.00 52.21 H new ATOM 0 HG22 ILE A 118 16.253 -9.078 22.955 1.00 52.21 H new ATOM 0 HG23 ILE A 118 15.286 -8.353 21.648 1.00 52.21 H new ATOM 0 HD11 ILE A 118 11.879 -6.941 21.605 1.00 51.53 H new ATOM 0 HD12 ILE A 118 13.551 -7.339 21.145 1.00 51.53 H new ATOM 0 HD13 ILE A 118 12.348 -8.636 21.335 1.00 51.53 H new ATOM 1802 N PHE A 119 15.549 -11.822 22.695 1.00 54.32 N ATOM 1803 CA PHE A 119 16.517 -12.822 23.129 1.00 0.54 C ATOM 1804 C PHE A 119 17.685 -12.908 22.152 1.00 64.02 C ATOM 1805 O PHE A 119 18.293 -13.965 21.985 1.00 14.10 O ATOM 1806 CB PHE A 119 15.845 -14.190 23.261 1.00 1.20 C ATOM 1807 CG PHE A 119 14.785 -14.439 22.227 1.00 54.21 C ATOM 1808 CD1 PHE A 119 15.040 -14.211 20.884 1.00 5.24 C ATOM 1809 CD2 PHE A 119 13.532 -14.901 22.597 1.00 22.42 C ATOM 1810 CE1 PHE A 119 14.066 -14.438 19.931 1.00 61.40 C ATOM 1811 CE2 PHE A 119 12.554 -15.131 21.648 1.00 31.21 C ATOM 1812 CZ PHE A 119 12.822 -14.900 20.313 1.00 32.31 C ATOM 0 H PHE A 119 15.573 -11.619 21.696 1.00 54.32 H new ATOM 0 HA PHE A 119 16.903 -12.520 24.103 1.00 0.54 H new ATOM 0 HB2 PHE A 119 16.605 -14.968 23.186 1.00 1.20 H new ATOM 0 HB3 PHE A 119 15.401 -14.273 24.253 1.00 1.20 H new ATOM 0 HD1 PHE A 119 16.012 -13.852 20.579 1.00 5.24 H new ATOM 0 HD2 PHE A 119 13.317 -15.084 23.640 1.00 22.42 H new ATOM 0 HE1 PHE A 119 14.277 -14.254 18.888 1.00 61.40 H new ATOM 0 HE2 PHE A 119 11.582 -15.491 21.950 1.00 31.21 H new ATOM 0 HZ PHE A 119 12.060 -15.080 19.569 1.00 32.31 H new ATOM 1822 N GLY A 120 17.994 -11.787 21.507 1.00 41.11 N ATOM 1823 CA GLY A 120 19.088 -11.757 20.553 1.00 14.23 C ATOM 1824 C GLY A 120 18.613 -11.913 19.122 1.00 2.31 C ATOM 1825 O GLY A 120 18.292 -13.017 18.684 1.00 4.24 O ATOM 0 H GLY A 120 17.506 -10.899 21.628 1.00 41.11 H new ATOM 0 HA2 GLY A 120 19.628 -10.815 20.653 1.00 14.23 H new ATOM 0 HA3 GLY A 120 19.793 -12.555 20.788 1.00 14.23 H new ATOM 1829 N ASN A 121 18.567 -10.803 18.391 1.00 20.44 N ATOM 1830 CA ASN A 121 18.126 -10.822 17.001 1.00 11.45 C ATOM 1831 C ASN A 121 18.183 -9.423 16.394 1.00 31.13 C ATOM 1832 O ASN A 121 18.618 -9.246 15.257 1.00 2.24 O ATOM 1833 CB ASN A 121 16.703 -11.375 16.904 1.00 54.45 C ATOM 1834 CG ASN A 121 16.557 -12.404 15.799 1.00 11.23 C ATOM 1835 OD1 ASN A 121 16.126 -13.532 16.040 1.00 52.43 O ATOM 1836 ND2 ASN A 121 16.917 -12.019 14.581 1.00 42.35 N ATOM 0 H ASN A 121 18.829 -9.880 18.738 1.00 20.44 H new ATOM 0 HA ASN A 121 18.799 -11.470 16.440 1.00 11.45 H new ATOM 0 HB2 ASN A 121 16.426 -11.827 17.856 1.00 54.45 H new ATOM 0 HB3 ASN A 121 16.008 -10.554 16.726 1.00 54.45 H new ATOM 0 HD21 ASN A 121 16.842 -12.668 13.798 1.00 42.35 H new ATOM 0 HD22 ASN A 121 17.269 -11.074 14.428 1.00 42.35 H new ATOM 1843 N GLY A 122 17.740 -8.432 17.162 1.00 2.21 N ATOM 1844 CA GLY A 122 17.750 -7.062 16.684 1.00 52.25 C ATOM 1845 C GLY A 122 16.400 -6.624 16.152 1.00 54.03 C ATOM 1846 O GLY A 122 15.693 -5.846 16.793 1.00 10.25 O ATOM 0 H GLY A 122 17.374 -8.554 18.106 1.00 2.21 H new ATOM 0 HA2 GLY A 122 18.050 -6.399 17.496 1.00 52.25 H new ATOM 0 HA3 GLY A 122 18.498 -6.960 15.897 1.00 52.25 H new ATOM 1850 N THR A 123 16.039 -7.123 14.973 1.00 30.25 N ATOM 1851 CA THR A 123 14.766 -6.777 14.354 1.00 41.01 C ATOM 1852 C THR A 123 13.659 -7.720 14.809 1.00 75.41 C ATOM 1853 O THR A 123 13.842 -8.937 14.844 1.00 30.40 O ATOM 1854 CB THR A 123 14.860 -6.817 12.817 1.00 60.10 C ATOM 1855 OG1 THR A 123 15.986 -6.051 12.375 1.00 51.22 O ATOM 1856 CG2 THR A 123 13.589 -6.273 12.183 1.00 50.33 C ATOM 0 H THR A 123 16.611 -7.768 14.428 1.00 30.25 H new ATOM 0 HA THR A 123 14.526 -5.762 14.670 1.00 41.01 H new ATOM 0 HB THR A 123 14.985 -7.855 12.509 1.00 60.10 H new ATOM 0 HG1 THR A 123 16.040 -6.083 11.397 1.00 51.22 H new ATOM 0 HG21 THR A 123 13.679 -6.311 11.097 1.00 50.33 H new ATOM 0 HG22 THR A 123 12.738 -6.877 12.498 1.00 50.33 H new ATOM 0 HG23 THR A 123 13.438 -5.241 12.498 1.00 50.33 H new ATOM 1864 N TYR A 124 12.509 -7.152 15.156 1.00 62.03 N ATOM 1865 CA TYR A 124 11.372 -7.943 15.610 1.00 31.13 C ATOM 1866 C TYR A 124 10.062 -7.368 15.081 1.00 53.11 C ATOM 1867 O TYR A 124 9.945 -6.163 14.857 1.00 15.43 O ATOM 1868 CB TYR A 124 11.338 -7.995 17.139 1.00 63.03 C ATOM 1869 CG TYR A 124 12.596 -8.566 17.753 1.00 44.20 C ATOM 1870 CD1 TYR A 124 13.744 -7.792 17.879 1.00 61.54 C ATOM 1871 CD2 TYR A 124 12.638 -9.878 18.207 1.00 62.33 C ATOM 1872 CE1 TYR A 124 14.896 -8.310 18.439 1.00 42.25 C ATOM 1873 CE2 TYR A 124 13.785 -10.403 18.769 1.00 23.43 C ATOM 1874 CZ TYR A 124 14.912 -9.615 18.883 1.00 73.52 C ATOM 1875 OH TYR A 124 16.057 -10.135 19.441 1.00 31.43 O ATOM 0 H TYR A 124 12.340 -6.146 15.131 1.00 62.03 H new ATOM 0 HA TYR A 124 11.487 -8.955 15.221 1.00 31.13 H new ATOM 0 HB2 TYR A 124 11.180 -6.988 17.525 1.00 63.03 H new ATOM 0 HB3 TYR A 124 10.485 -8.595 17.455 1.00 63.03 H new ATOM 0 HD1 TYR A 124 13.735 -6.769 17.533 1.00 61.54 H new ATOM 0 HD2 TYR A 124 11.758 -10.498 18.119 1.00 62.33 H new ATOM 0 HE1 TYR A 124 15.780 -7.696 18.528 1.00 42.25 H new ATOM 0 HE2 TYR A 124 13.800 -11.425 19.118 1.00 23.43 H new ATOM 0 HH TYR A 124 15.980 -10.122 20.418 1.00 31.43 H new ATOM 1885 N HIS A 125 9.078 -8.239 14.883 1.00 73.41 N ATOM 1886 CA HIS A 125 7.774 -7.819 14.381 1.00 61.52 C ATOM 1887 C HIS A 125 6.665 -8.703 14.944 1.00 12.41 C ATOM 1888 O HIS A 125 6.882 -9.860 15.305 1.00 40.50 O ATOM 1889 CB HIS A 125 7.753 -7.867 12.853 1.00 42.42 C ATOM 1890 CG HIS A 125 8.477 -6.725 12.208 1.00 11.43 C ATOM 1891 ND1 HIS A 125 9.797 -6.525 11.986 1.00 45.20 N flip ATOM 1892 CD2 HIS A 125 7.833 -5.613 11.707 1.00 22.52 C flip ATOM 1893 CE1 HIS A 125 9.926 -5.310 11.360 1.00 65.02 C flip ATOM 1894 NE2 HIS A 125 8.726 -4.780 11.203 1.00 30.11 N flip ATOM 0 H HIS A 125 9.158 -9.240 15.062 1.00 73.41 H new ATOM 0 HA HIS A 125 7.599 -6.794 14.708 1.00 61.52 H new ATOM 0 HB2 HIS A 125 8.200 -8.804 12.521 1.00 42.42 H new ATOM 0 HB3 HIS A 125 6.718 -7.869 12.512 1.00 42.42 H new ATOM 0 HD2 HIS A 125 6.766 -5.449 11.724 1.00 22.52 H new ATOM 0 HE1 HIS A 125 10.857 -4.861 11.047 1.00 65.02 H new ATOM 0 HE2 HIS A 125 8.523 -3.881 10.767 1.00 30.11 H new ATOM 1902 N PRO A 126 5.447 -8.146 15.023 1.00 71.14 N ATOM 1903 CA PRO A 126 4.280 -8.866 15.541 1.00 12.42 C ATOM 1904 C PRO A 126 3.819 -9.976 14.603 1.00 24.11 C ATOM 1905 O PRO A 126 3.729 -9.779 13.392 1.00 53.12 O ATOM 1906 CB PRO A 126 3.209 -7.776 15.646 1.00 25.33 C ATOM 1907 CG PRO A 126 3.612 -6.752 14.643 1.00 42.52 C ATOM 1908 CD PRO A 126 5.115 -6.772 14.611 1.00 44.24 C ATOM 0 HA PRO A 126 4.496 -9.364 16.486 1.00 12.42 H new ATOM 0 HB2 PRO A 126 2.217 -8.173 15.430 1.00 25.33 H new ATOM 0 HB3 PRO A 126 3.171 -7.353 16.650 1.00 25.33 H new ATOM 0 HG2 PRO A 126 3.198 -6.983 13.662 1.00 42.52 H new ATOM 0 HG3 PRO A 126 3.241 -5.766 14.922 1.00 42.52 H new ATOM 0 HD2 PRO A 126 5.499 -6.547 13.616 1.00 44.24 H new ATOM 0 HD3 PRO A 126 5.541 -6.035 15.291 1.00 44.24 H new ATOM 1916 N GLN A 127 3.530 -11.142 15.171 1.00 33.22 N ATOM 1917 CA GLN A 127 3.079 -12.284 14.384 1.00 12.21 C ATOM 1918 C GLN A 127 1.565 -12.443 14.473 1.00 14.34 C ATOM 1919 O GLN A 127 1.061 -13.507 14.834 1.00 30.11 O ATOM 1920 CB GLN A 127 3.767 -13.564 14.862 1.00 11.52 C ATOM 1921 CG GLN A 127 5.274 -13.555 14.663 1.00 10.34 C ATOM 1922 CD GLN A 127 5.893 -14.929 14.829 1.00 55.23 C ATOM 1923 OE1 GLN A 127 5.433 -15.905 14.235 1.00 40.33 O ATOM 1924 NE2 GLN A 127 6.941 -15.013 15.639 1.00 43.32 N ATOM 0 H GLN A 127 3.600 -11.321 16.173 1.00 33.22 H new ATOM 0 HA GLN A 127 3.346 -12.103 13.343 1.00 12.21 H new ATOM 0 HB2 GLN A 127 3.549 -13.710 15.920 1.00 11.52 H new ATOM 0 HB3 GLN A 127 3.343 -14.415 14.329 1.00 11.52 H new ATOM 0 HG2 GLN A 127 5.503 -13.176 13.667 1.00 10.34 H new ATOM 0 HG3 GLN A 127 5.727 -12.868 15.378 1.00 10.34 H new ATOM 0 HE21 GLN A 127 7.289 -14.178 16.111 1.00 43.32 H new ATOM 0 HE22 GLN A 127 7.398 -15.912 15.789 1.00 43.32 H new ATOM 1933 N THR A 128 0.842 -11.377 14.143 1.00 40.21 N ATOM 1934 CA THR A 128 -0.615 -11.397 14.187 1.00 25.13 C ATOM 1935 C THR A 128 -1.211 -11.076 12.822 1.00 42.43 C ATOM 1936 O THR A 128 -1.586 -11.975 12.069 1.00 31.13 O ATOM 1937 CB THR A 128 -1.159 -10.394 15.222 1.00 72.13 C ATOM 1938 OG1 THR A 128 -2.588 -10.338 15.144 1.00 1.51 O ATOM 1939 CG2 THR A 128 -0.578 -9.008 14.989 1.00 53.41 C ATOM 0 H THR A 128 1.242 -10.488 13.842 1.00 40.21 H new ATOM 0 HA THR A 128 -0.909 -12.405 14.480 1.00 25.13 H new ATOM 0 HB THR A 128 -0.863 -10.732 16.215 1.00 72.13 H new ATOM 0 HG1 THR A 128 -2.927 -9.700 15.806 1.00 1.51 H new ATOM 0 HG21 THR A 128 -0.977 -8.317 15.732 1.00 53.41 H new ATOM 0 HG22 THR A 128 0.508 -9.049 15.077 1.00 53.41 H new ATOM 0 HG23 THR A 128 -0.848 -8.663 13.991 1.00 53.41 H new TER 1947 THR A 128