USER MOD reduce.3.24.130724 H: found=0, std=0, add=708, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 706 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 18 GLN :FLIP amide:sc= 0.512 F(o=1.6,f=3.4) USER MOD Set 1.2: A 23 TYR OH : rot 119:sc= 1.74 USER MOD Set 1.3: A 87 TYR OH : rot 76:sc= 1.12 USER MOD Set 2.1: A 65 THR OG1 : rot 80:sc= 1.06 USER MOD Set 2.2: A 67 SER OG : rot 180:sc= 0.626 USER MOD Set 3.1: A 58 SER OG : rot -156:sc= 1.19 USER MOD Set 3.2: A 74 GLN : amide:sc= 0.664 K(o=1.8,f=0.95) USER MOD Set 4.1: A 27 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 33 MET CE :methyl 157:sc= -0.0216 (180deg=-0.129) USER MOD Set 5.1: A 15 CYS SG : rot 81:sc= -5.11! USER MOD Set 5.2: A 25 TYR OH : rot 88:sc= 0.857 USER MOD Set 5.3: A 32 CYS SG : rot -134:sc= -3.55! USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= -1.58 K(o=-1.6,f=-12!) USER MOD Single : A 9 ASN : amide:sc= -0.17 K(o=-0.17,f=-2.5!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.261 X(o=-0.26,f=-0.74) USER MOD Single : A 17 LYS NZ :NH3+ -160:sc= -0.223 (180deg=-0.976) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN :FLIP amide:sc= -1.28 F(o=-2,f=-1.3) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.0169 K(o=-0.017,f=-1.8!) USER MOD Single : A 30 SER OG : rot 180:sc= -0.0167 USER MOD Single : A 34 GLN : amide:sc= -0.225 X(o=-0.22,f=-0.23) USER MOD Single : A 37 ASN :FLIP amide:sc= -1.99 F(o=-3.3!,f=-2) USER MOD Single : A 40 LYS NZ :NH3+ 176:sc= -2.32! (180deg=-2.5!) USER MOD Single : A 45 SER OG : rot 180:sc= -1.84 USER MOD Single : A 47 SER OG : rot 180:sc= -0.514 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.138 X(o=-0.14,f=0) USER MOD Single : A 56 THR OG1 : rot -150:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.992 K(o=-0.99,f=-1.9!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.0997 USER MOD Single : A 71 ASN : amide:sc= -2.16! C(o=-2.2!,f=-4.3!) USER MOD Single : A 72 THR OG1 : rot 120:sc= -0.0491 USER MOD Single : A 73 ASN :FLIP amide:sc= -2.1! C(o=-6!,f=-2.1!) USER MOD Single : A 77 ASN : amide:sc= -0.821 K(o=-0.82,f=-3.1!) USER MOD Single : A 78 LYS NZ :NH3+ -157:sc= -1.3 (180deg=-3.28!) USER MOD Single : A 79 THR OG1 : rot 61:sc= -2.06! USER MOD Single : A 80 ASN : amide:sc= -1.13 K(o=-1.1,f=-2!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 39:sc= 0.349 USER MOD Single : A 96 SER OG : rot -160:sc= -0.364 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 42.236 3.104 -6.813 1.00 0.00 N ATOM 2 CA GLY A 1 42.854 1.841 -7.410 1.00 0.00 C ATOM 3 C GLY A 1 44.095 1.944 -8.228 1.00 0.00 C ATOM 4 O GLY A 1 44.538 3.023 -8.573 1.00 0.00 O ATOM 0 H1 GLY A 1 41.382 2.852 -6.276 1.00 0.00 H new ATOM 0 H2 GLY A 1 42.922 3.560 -6.178 1.00 0.00 H new ATOM 0 H3 GLY A 1 41.983 3.761 -7.578 1.00 0.00 H new ATOM 0 HA2 GLY A 1 43.063 1.159 -6.586 1.00 0.00 H new ATOM 0 HA3 GLY A 1 42.093 1.368 -8.030 1.00 0.00 H new ATOM 10 N GLY A 2 44.688 0.832 -8.557 1.00 0.00 N ATOM 11 CA GLY A 2 45.931 0.864 -9.371 1.00 0.00 C ATOM 12 C GLY A 2 46.320 -0.558 -9.756 1.00 0.00 C ATOM 13 O GLY A 2 45.486 -1.437 -9.858 1.00 0.00 O ATOM 0 H GLY A 2 44.364 -0.099 -8.296 1.00 0.00 H new ATOM 0 HA2 GLY A 2 45.777 1.466 -10.267 1.00 0.00 H new ATOM 0 HA3 GLY A 2 46.737 1.333 -8.806 1.00 0.00 H new ATOM 17 N SER A 3 47.582 -0.796 -9.962 1.00 0.00 N ATOM 18 CA SER A 3 48.031 -2.163 -10.331 1.00 0.00 C ATOM 19 C SER A 3 48.137 -3.003 -9.058 1.00 0.00 C ATOM 20 O SER A 3 48.478 -4.170 -9.091 1.00 0.00 O ATOM 21 CB SER A 3 49.394 -2.074 -11.022 1.00 0.00 C ATOM 22 OG SER A 3 50.327 -1.459 -10.143 1.00 0.00 O ATOM 0 H SER A 3 48.324 -0.100 -9.890 1.00 0.00 H new ATOM 0 HA SER A 3 47.319 -2.628 -11.013 1.00 0.00 H new ATOM 0 HB2 SER A 3 49.740 -3.070 -11.299 1.00 0.00 H new ATOM 0 HB3 SER A 3 49.311 -1.498 -11.943 1.00 0.00 H new ATOM 0 HG SER A 3 51.201 -1.402 -10.582 1.00 0.00 H new ATOM 28 N GLY A 4 47.843 -2.412 -7.929 1.00 0.00 N ATOM 29 CA GLY A 4 47.922 -3.168 -6.648 1.00 0.00 C ATOM 30 C GLY A 4 49.383 -3.329 -6.254 1.00 0.00 C ATOM 31 O GLY A 4 49.744 -4.229 -5.522 1.00 0.00 O ATOM 0 H GLY A 4 47.552 -1.438 -7.841 1.00 0.00 H new ATOM 0 HA2 GLY A 4 47.378 -2.640 -5.865 1.00 0.00 H new ATOM 0 HA3 GLY A 4 47.452 -4.145 -6.759 1.00 0.00 H new ATOM 35 N TRP A 5 50.235 -2.470 -6.739 1.00 0.00 N ATOM 36 CA TRP A 5 51.669 -2.593 -6.389 1.00 0.00 C ATOM 37 C TRP A 5 51.853 -2.435 -4.890 1.00 0.00 C ATOM 38 O TRP A 5 51.338 -1.526 -4.268 1.00 0.00 O ATOM 39 CB TRP A 5 52.506 -1.530 -7.139 1.00 0.00 C ATOM 40 CG TRP A 5 53.753 -1.216 -6.354 1.00 0.00 C ATOM 41 CD1 TRP A 5 54.908 -1.916 -6.420 1.00 0.00 C ATOM 42 CD2 TRP A 5 53.968 -0.172 -5.350 1.00 0.00 C ATOM 43 NE1 TRP A 5 55.821 -1.356 -5.549 1.00 0.00 N ATOM 44 CE2 TRP A 5 55.291 -0.284 -4.866 1.00 0.00 C ATOM 45 CE3 TRP A 5 53.157 0.853 -4.823 1.00 0.00 C ATOM 46 CZ2 TRP A 5 55.796 0.581 -3.900 1.00 0.00 C ATOM 47 CZ3 TRP A 5 53.664 1.729 -3.845 1.00 0.00 C ATOM 48 CH2 TRP A 5 54.981 1.591 -3.385 1.00 0.00 C ATOM 0 H TRP A 5 49.999 -1.695 -7.358 1.00 0.00 H new ATOM 0 HA TRP A 5 52.015 -3.582 -6.690 1.00 0.00 H new ATOM 0 HB2 TRP A 5 52.772 -1.896 -8.131 1.00 0.00 H new ATOM 0 HB3 TRP A 5 51.917 -0.624 -7.281 1.00 0.00 H new ATOM 0 HD1 TRP A 5 55.087 -2.774 -7.051 1.00 0.00 H new ATOM 0 HE1 TRP A 5 56.775 -1.696 -5.426 1.00 0.00 H new ATOM 0 HE3 TRP A 5 52.141 0.967 -5.171 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 56.812 0.472 -3.551 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 53.035 2.512 -3.447 1.00 0.00 H new ATOM 0 HH2 TRP A 5 55.365 2.265 -2.633 1.00 0.00 H new ATOM 59 N ASN A 6 52.643 -3.305 -4.328 1.00 0.00 N ATOM 60 CA ASN A 6 52.958 -3.233 -2.883 1.00 0.00 C ATOM 61 C ASN A 6 54.475 -3.335 -2.741 1.00 0.00 C ATOM 62 O ASN A 6 55.101 -4.208 -3.311 1.00 0.00 O ATOM 63 CB ASN A 6 52.289 -4.384 -2.132 1.00 0.00 C ATOM 64 CG ASN A 6 52.519 -4.203 -0.631 1.00 0.00 C ATOM 65 OD1 ASN A 6 53.445 -3.531 -0.226 1.00 0.00 O ATOM 66 ND2 ASN A 6 51.705 -4.774 0.216 1.00 0.00 N ATOM 0 H ASN A 6 53.090 -4.077 -4.823 1.00 0.00 H new ATOM 0 HA ASN A 6 52.589 -2.298 -2.461 1.00 0.00 H new ATOM 0 HB2 ASN A 6 51.221 -4.404 -2.349 1.00 0.00 H new ATOM 0 HB3 ASN A 6 52.700 -5.338 -2.463 1.00 0.00 H new ATOM 0 HD21 ASN A 6 51.847 -4.655 1.219 1.00 0.00 H new ATOM 0 HD22 ASN A 6 50.927 -5.338 -0.126 1.00 0.00 H new ATOM 73 N ALA A 7 55.075 -2.448 -2.003 1.00 0.00 N ATOM 74 CA ALA A 7 56.555 -2.495 -1.844 1.00 0.00 C ATOM 75 C ALA A 7 56.964 -3.848 -1.265 1.00 0.00 C ATOM 76 O ALA A 7 58.131 -4.140 -1.097 1.00 0.00 O ATOM 77 CB ALA A 7 56.997 -1.383 -0.891 1.00 0.00 C ATOM 0 H ALA A 7 54.607 -1.692 -1.503 1.00 0.00 H new ATOM 0 HA ALA A 7 57.029 -2.357 -2.816 1.00 0.00 H new ATOM 0 HB1 ALA A 7 58.080 -1.415 -0.772 1.00 0.00 H new ATOM 0 HB2 ALA A 7 56.705 -0.416 -1.300 1.00 0.00 H new ATOM 0 HB3 ALA A 7 56.521 -1.525 0.079 1.00 0.00 H new ATOM 83 N ASP A 8 56.010 -4.668 -0.942 1.00 0.00 N ATOM 84 CA ASP A 8 56.335 -5.999 -0.354 1.00 0.00 C ATOM 85 C ASP A 8 56.924 -6.928 -1.421 1.00 0.00 C ATOM 86 O ASP A 8 57.802 -7.720 -1.147 1.00 0.00 O ATOM 87 CB ASP A 8 55.074 -6.615 0.250 1.00 0.00 C ATOM 88 CG ASP A 8 54.676 -5.824 1.498 1.00 0.00 C ATOM 89 OD1 ASP A 8 55.543 -5.178 2.067 1.00 0.00 O ATOM 90 OD2 ASP A 8 53.513 -5.871 1.860 1.00 0.00 O ATOM 0 H ASP A 8 55.015 -4.477 -1.059 1.00 0.00 H new ATOM 0 HA ASP A 8 57.079 -5.867 0.431 1.00 0.00 H new ATOM 0 HB2 ASP A 8 54.263 -6.601 -0.478 1.00 0.00 H new ATOM 0 HB3 ASP A 8 55.252 -7.659 0.508 1.00 0.00 H new ATOM 95 N ASN A 9 56.441 -6.854 -2.632 1.00 0.00 N ATOM 96 CA ASN A 9 56.973 -7.748 -3.703 1.00 0.00 C ATOM 97 C ASN A 9 58.268 -7.163 -4.270 1.00 0.00 C ATOM 98 O ASN A 9 58.882 -7.735 -5.149 1.00 0.00 O ATOM 99 CB ASN A 9 55.942 -7.865 -4.831 1.00 0.00 C ATOM 100 CG ASN A 9 56.285 -9.066 -5.720 1.00 0.00 C ATOM 101 OD1 ASN A 9 57.137 -9.865 -5.381 1.00 0.00 O ATOM 102 ND2 ASN A 9 55.648 -9.234 -6.847 1.00 0.00 N ATOM 0 H ASN A 9 55.703 -6.215 -2.926 1.00 0.00 H new ATOM 0 HA ASN A 9 57.172 -8.732 -3.279 1.00 0.00 H new ATOM 0 HB2 ASN A 9 54.942 -7.983 -4.413 1.00 0.00 H new ATOM 0 HB3 ASN A 9 55.933 -6.951 -5.425 1.00 0.00 H new ATOM 0 HD21 ASN A 9 55.865 -10.034 -7.441 1.00 0.00 H new ATOM 0 HD22 ASN A 9 54.933 -8.565 -7.133 1.00 0.00 H new ATOM 109 N VAL A 10 58.687 -6.026 -3.780 1.00 0.00 N ATOM 110 CA VAL A 10 59.942 -5.397 -4.293 1.00 0.00 C ATOM 111 C VAL A 10 61.082 -5.687 -3.322 1.00 0.00 C ATOM 112 O VAL A 10 60.909 -5.660 -2.121 1.00 0.00 O ATOM 113 CB VAL A 10 59.750 -3.882 -4.407 1.00 0.00 C ATOM 114 CG1 VAL A 10 60.853 -3.289 -5.285 1.00 0.00 C ATOM 115 CG2 VAL A 10 58.399 -3.580 -5.043 1.00 0.00 C ATOM 0 H VAL A 10 58.213 -5.503 -3.044 1.00 0.00 H new ATOM 0 HA VAL A 10 60.178 -5.807 -5.275 1.00 0.00 H new ATOM 0 HB VAL A 10 59.794 -3.444 -3.410 1.00 0.00 H new ATOM 0 HG11 VAL A 10 60.714 -2.211 -5.365 1.00 0.00 H new ATOM 0 HG12 VAL A 10 61.825 -3.498 -4.839 1.00 0.00 H new ATOM 0 HG13 VAL A 10 60.807 -3.735 -6.278 1.00 0.00 H new ATOM 0 HG21 VAL A 10 58.267 -2.501 -5.122 1.00 0.00 H new ATOM 0 HG22 VAL A 10 58.358 -4.024 -6.037 1.00 0.00 H new ATOM 0 HG23 VAL A 10 57.604 -3.998 -4.425 1.00 0.00 H new ATOM 125 N ASP A 11 62.250 -5.966 -3.836 1.00 0.00 N ATOM 126 CA ASP A 11 63.419 -6.258 -2.956 1.00 0.00 C ATOM 127 C ASP A 11 64.316 -5.003 -2.901 1.00 0.00 C ATOM 128 O ASP A 11 64.989 -4.693 -3.864 1.00 0.00 O ATOM 129 CB ASP A 11 64.197 -7.429 -3.569 1.00 0.00 C ATOM 130 CG ASP A 11 63.240 -8.605 -3.796 1.00 0.00 C ATOM 131 OD1 ASP A 11 62.820 -9.200 -2.817 1.00 0.00 O ATOM 132 OD2 ASP A 11 62.942 -8.889 -4.945 1.00 0.00 O ATOM 0 H ASP A 11 62.446 -6.004 -4.836 1.00 0.00 H new ATOM 0 HA ASP A 11 63.097 -6.517 -1.948 1.00 0.00 H new ATOM 0 HB2 ASP A 11 64.650 -7.126 -4.513 1.00 0.00 H new ATOM 0 HB3 ASP A 11 65.009 -7.728 -2.907 1.00 0.00 H new ATOM 137 N PRO A 12 64.327 -4.269 -1.800 1.00 0.00 N ATOM 138 CA PRO A 12 65.160 -3.032 -1.684 1.00 0.00 C ATOM 139 C PRO A 12 66.612 -3.271 -2.123 1.00 0.00 C ATOM 140 O PRO A 12 67.368 -2.345 -2.346 1.00 0.00 O ATOM 141 CB PRO A 12 65.078 -2.672 -0.193 1.00 0.00 C ATOM 142 CG PRO A 12 63.787 -3.256 0.279 1.00 0.00 C ATOM 143 CD PRO A 12 63.565 -4.520 -0.557 1.00 0.00 C ATOM 0 HA PRO A 12 64.802 -2.233 -2.333 1.00 0.00 H new ATOM 0 HB2 PRO A 12 65.922 -3.085 0.359 1.00 0.00 H new ATOM 0 HB3 PRO A 12 65.099 -1.592 -0.047 1.00 0.00 H new ATOM 0 HG2 PRO A 12 63.832 -3.494 1.342 1.00 0.00 H new ATOM 0 HG3 PRO A 12 62.967 -2.550 0.145 1.00 0.00 H new ATOM 0 HD2 PRO A 12 63.927 -5.409 -0.040 1.00 0.00 H new ATOM 0 HD3 PRO A 12 62.507 -4.681 -0.764 1.00 0.00 H new ATOM 151 N SER A 13 66.998 -4.508 -2.246 1.00 0.00 N ATOM 152 CA SER A 13 68.389 -4.830 -2.669 1.00 0.00 C ATOM 153 C SER A 13 68.642 -4.308 -4.092 1.00 0.00 C ATOM 154 O SER A 13 69.718 -3.837 -4.409 1.00 0.00 O ATOM 155 CB SER A 13 68.580 -6.348 -2.639 1.00 0.00 C ATOM 156 OG SER A 13 69.921 -6.663 -2.986 1.00 0.00 O ATOM 0 H SER A 13 66.404 -5.318 -2.070 1.00 0.00 H new ATOM 0 HA SER A 13 69.094 -4.353 -1.988 1.00 0.00 H new ATOM 0 HB2 SER A 13 68.349 -6.735 -1.646 1.00 0.00 H new ATOM 0 HB3 SER A 13 67.891 -6.826 -3.335 1.00 0.00 H new ATOM 0 HG SER A 13 70.045 -7.635 -2.966 1.00 0.00 H new ATOM 162 N GLN A 14 67.664 -4.411 -4.955 1.00 0.00 N ATOM 163 CA GLN A 14 67.840 -3.946 -6.369 1.00 0.00 C ATOM 164 C GLN A 14 67.550 -2.441 -6.477 1.00 0.00 C ATOM 165 O GLN A 14 67.844 -1.815 -7.474 1.00 0.00 O ATOM 166 CB GLN A 14 66.856 -4.719 -7.260 1.00 0.00 C ATOM 167 CG GLN A 14 67.205 -4.534 -8.742 1.00 0.00 C ATOM 168 CD GLN A 14 68.543 -5.207 -9.048 1.00 0.00 C ATOM 169 OE1 GLN A 14 69.584 -4.588 -8.952 1.00 0.00 O ATOM 170 NE2 GLN A 14 68.560 -6.459 -9.415 1.00 0.00 N ATOM 0 H GLN A 14 66.745 -4.799 -4.742 1.00 0.00 H new ATOM 0 HA GLN A 14 68.867 -4.126 -6.687 1.00 0.00 H new ATOM 0 HB2 GLN A 14 66.882 -5.778 -7.005 1.00 0.00 H new ATOM 0 HB3 GLN A 14 65.840 -4.371 -7.075 1.00 0.00 H new ATOM 0 HG2 GLN A 14 66.421 -4.963 -9.366 1.00 0.00 H new ATOM 0 HG3 GLN A 14 67.258 -3.472 -8.982 1.00 0.00 H new ATOM 0 HE21 GLN A 14 67.686 -6.979 -9.496 1.00 0.00 H new ATOM 0 HE22 GLN A 14 69.447 -6.918 -9.621 1.00 0.00 H new ATOM 179 N CYS A 15 66.973 -1.850 -5.466 1.00 0.00 N ATOM 180 CA CYS A 15 66.667 -0.390 -5.541 1.00 0.00 C ATOM 181 C CYS A 15 67.965 0.414 -5.520 1.00 0.00 C ATOM 182 O CYS A 15 68.072 1.453 -6.141 1.00 0.00 O ATOM 183 CB CYS A 15 65.801 0.026 -4.353 1.00 0.00 C ATOM 184 SG CYS A 15 65.262 1.739 -4.582 1.00 0.00 S ATOM 0 H CYS A 15 66.701 -2.310 -4.597 1.00 0.00 H new ATOM 0 HA CYS A 15 66.129 -0.193 -6.468 1.00 0.00 H new ATOM 0 HB2 CYS A 15 64.936 -0.632 -4.270 1.00 0.00 H new ATOM 0 HB3 CYS A 15 66.365 -0.070 -3.425 1.00 0.00 H new ATOM 0 HG CYS A 15 64.236 1.768 -5.380 1.00 0.00 H new ATOM 189 N ILE A 16 68.944 -0.059 -4.799 1.00 0.00 N ATOM 190 CA ILE A 16 70.252 0.659 -4.704 1.00 0.00 C ATOM 191 C ILE A 16 71.356 -0.259 -5.230 1.00 0.00 C ATOM 192 O ILE A 16 71.298 -1.461 -5.068 1.00 0.00 O ATOM 193 CB ILE A 16 70.519 0.995 -3.226 1.00 0.00 C ATOM 194 CG1 ILE A 16 70.472 -0.298 -2.360 1.00 0.00 C ATOM 195 CG2 ILE A 16 69.445 1.980 -2.740 1.00 0.00 C ATOM 196 CD1 ILE A 16 71.889 -0.792 -2.048 1.00 0.00 C ATOM 0 H ILE A 16 68.895 -0.925 -4.263 1.00 0.00 H new ATOM 0 HA ILE A 16 70.230 1.576 -5.292 1.00 0.00 H new ATOM 0 HB ILE A 16 71.509 1.442 -3.130 1.00 0.00 H new ATOM 0 HG12 ILE A 16 69.937 -0.100 -1.431 1.00 0.00 H new ATOM 0 HG13 ILE A 16 69.918 -1.075 -2.887 1.00 0.00 H new ATOM 0 HG21 ILE A 16 69.624 2.226 -1.693 1.00 0.00 H new ATOM 0 HG22 ILE A 16 69.488 2.890 -3.339 1.00 0.00 H new ATOM 0 HG23 ILE A 16 68.460 1.524 -2.843 1.00 0.00 H new ATOM 0 HD11 ILE A 16 71.834 -1.696 -1.442 1.00 0.00 H new ATOM 0 HD12 ILE A 16 72.411 -1.011 -2.979 1.00 0.00 H new ATOM 0 HD13 ILE A 16 72.431 -0.021 -1.500 1.00 0.00 H new ATOM 208 N LYS A 17 72.358 0.293 -5.871 1.00 0.00 N ATOM 209 CA LYS A 17 73.472 -0.545 -6.422 1.00 0.00 C ATOM 210 C LYS A 17 74.806 0.070 -6.009 1.00 0.00 C ATOM 211 O LYS A 17 74.906 1.260 -5.784 1.00 0.00 O ATOM 212 CB LYS A 17 73.376 -0.592 -7.955 1.00 0.00 C ATOM 213 CG LYS A 17 73.448 0.829 -8.522 1.00 0.00 C ATOM 214 CD LYS A 17 73.064 0.823 -10.010 1.00 0.00 C ATOM 215 CE LYS A 17 74.117 0.076 -10.839 1.00 0.00 C ATOM 216 NZ LYS A 17 75.485 0.498 -10.422 1.00 0.00 N ATOM 0 H LYS A 17 72.453 1.295 -6.038 1.00 0.00 H new ATOM 0 HA LYS A 17 73.397 -1.560 -6.031 1.00 0.00 H new ATOM 0 HB2 LYS A 17 74.187 -1.197 -8.361 1.00 0.00 H new ATOM 0 HB3 LYS A 17 72.442 -1.067 -8.256 1.00 0.00 H new ATOM 0 HG2 LYS A 17 72.777 1.485 -7.968 1.00 0.00 H new ATOM 0 HG3 LYS A 17 74.455 1.227 -8.400 1.00 0.00 H new ATOM 0 HD2 LYS A 17 72.091 0.349 -10.138 1.00 0.00 H new ATOM 0 HD3 LYS A 17 72.970 1.847 -10.370 1.00 0.00 H new ATOM 0 HE2 LYS A 17 74.002 -1.000 -10.705 1.00 0.00 H new ATOM 0 HE3 LYS A 17 73.971 0.282 -11.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 76.164 0.270 -11.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 75.494 1.523 -10.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 75.753 -0.004 -9.552 1.00 0.00 H new ATOM 230 N GLN A 18 75.834 -0.728 -5.895 1.00 0.00 N ATOM 231 CA GLN A 18 77.165 -0.187 -5.485 1.00 0.00 C ATOM 232 C GLN A 18 78.037 0.033 -6.719 1.00 0.00 C ATOM 233 O GLN A 18 78.173 -0.838 -7.556 1.00 0.00 O ATOM 234 CB GLN A 18 77.869 -1.186 -4.569 1.00 0.00 C ATOM 235 CG GLN A 18 79.162 -0.561 -4.042 1.00 0.00 C ATOM 236 CD GLN A 18 79.871 -1.560 -3.133 1.00 0.00 C ATOM 237 OE1 GLN A 18 80.256 -1.182 -1.948 1.00 0.00 O flip ATOM 238 NE2 GLN A 18 80.072 -2.697 -3.505 1.00 0.00 N flip ATOM 0 H GLN A 18 75.810 -1.733 -6.068 1.00 0.00 H new ATOM 0 HA GLN A 18 77.012 0.757 -4.962 1.00 0.00 H new ATOM 0 HB2 GLN A 18 77.218 -1.458 -3.738 1.00 0.00 H new ATOM 0 HB3 GLN A 18 78.090 -2.104 -5.114 1.00 0.00 H new ATOM 0 HG2 GLN A 18 79.811 -0.284 -4.873 1.00 0.00 H new ATOM 0 HG3 GLN A 18 78.940 0.354 -3.493 1.00 0.00 H new ATOM 0 HE21 GLN A 18 79.769 -2.991 -4.434 1.00 0.00 H new ATOM 0 HE22 GLN A 18 80.544 -3.359 -2.889 1.00 0.00 H new ATOM 247 N SER A 19 78.648 1.188 -6.821 1.00 0.00 N ATOM 248 CA SER A 19 79.550 1.483 -7.978 1.00 0.00 C ATOM 249 C SER A 19 80.951 1.718 -7.422 1.00 0.00 C ATOM 250 O SER A 19 81.162 2.602 -6.612 1.00 0.00 O ATOM 251 CB SER A 19 79.074 2.749 -8.692 1.00 0.00 C ATOM 252 OG SER A 19 80.031 3.116 -9.676 1.00 0.00 O ATOM 0 H SER A 19 78.559 1.947 -6.145 1.00 0.00 H new ATOM 0 HA SER A 19 79.545 0.654 -8.686 1.00 0.00 H new ATOM 0 HB2 SER A 19 78.104 2.576 -9.157 1.00 0.00 H new ATOM 0 HB3 SER A 19 78.943 3.559 -7.974 1.00 0.00 H new ATOM 0 HG SER A 19 79.731 3.926 -10.138 1.00 0.00 H new ATOM 258 N GLY A 20 81.913 0.935 -7.822 1.00 0.00 N ATOM 259 CA GLY A 20 83.285 1.132 -7.274 1.00 0.00 C ATOM 260 C GLY A 20 83.195 1.160 -5.747 1.00 0.00 C ATOM 261 O GLY A 20 82.766 0.211 -5.123 1.00 0.00 O ATOM 0 H GLY A 20 81.812 0.176 -8.496 1.00 0.00 H new ATOM 0 HA2 GLY A 20 83.943 0.327 -7.601 1.00 0.00 H new ATOM 0 HA3 GLY A 20 83.712 2.063 -7.646 1.00 0.00 H new ATOM 265 N VAL A 21 83.584 2.254 -5.142 1.00 0.00 N ATOM 266 CA VAL A 21 83.517 2.376 -3.651 1.00 0.00 C ATOM 267 C VAL A 21 82.433 3.390 -3.290 1.00 0.00 C ATOM 268 O VAL A 21 82.507 4.053 -2.278 1.00 0.00 O ATOM 269 CB VAL A 21 84.860 2.877 -3.123 1.00 0.00 C ATOM 270 CG1 VAL A 21 85.965 1.906 -3.540 1.00 0.00 C ATOM 271 CG2 VAL A 21 85.147 4.263 -3.705 1.00 0.00 C ATOM 0 H VAL A 21 83.949 3.077 -5.621 1.00 0.00 H new ATOM 0 HA VAL A 21 83.289 1.406 -3.210 1.00 0.00 H new ATOM 0 HB VAL A 21 84.826 2.940 -2.035 1.00 0.00 H new ATOM 0 HG11 VAL A 21 86.924 2.263 -3.164 1.00 0.00 H new ATOM 0 HG12 VAL A 21 85.757 0.919 -3.127 1.00 0.00 H new ATOM 0 HG13 VAL A 21 86.003 1.843 -4.628 1.00 0.00 H new ATOM 0 HG21 VAL A 21 86.105 4.624 -3.330 1.00 0.00 H new ATOM 0 HG22 VAL A 21 85.183 4.201 -4.793 1.00 0.00 H new ATOM 0 HG23 VAL A 21 84.358 4.953 -3.407 1.00 0.00 H new ATOM 281 N GLN A 22 81.442 3.536 -4.135 1.00 0.00 N ATOM 282 CA GLN A 22 80.355 4.531 -3.878 1.00 0.00 C ATOM 283 C GLN A 22 78.981 3.862 -4.010 1.00 0.00 C ATOM 284 O GLN A 22 78.824 2.871 -4.696 1.00 0.00 O ATOM 285 CB GLN A 22 80.474 5.653 -4.911 1.00 0.00 C ATOM 286 CG GLN A 22 79.644 6.856 -4.472 1.00 0.00 C ATOM 287 CD GLN A 22 79.720 7.939 -5.553 1.00 0.00 C ATOM 288 OE1 GLN A 22 78.789 8.853 -5.621 1.00 0.00 O flip ATOM 289 NE2 GLN A 22 80.638 7.950 -6.350 1.00 0.00 N flip ATOM 0 H GLN A 22 81.339 3.004 -4.999 1.00 0.00 H new ATOM 0 HA GLN A 22 80.454 4.929 -2.868 1.00 0.00 H new ATOM 0 HB2 GLN A 22 81.518 5.944 -5.026 1.00 0.00 H new ATOM 0 HB3 GLN A 22 80.132 5.300 -5.884 1.00 0.00 H new ATOM 0 HG2 GLN A 22 78.608 6.559 -4.310 1.00 0.00 H new ATOM 0 HG3 GLN A 22 80.017 7.244 -3.524 1.00 0.00 H new ATOM 0 HE21 GLN A 22 81.366 7.238 -6.299 1.00 0.00 H new ATOM 0 HE22 GLN A 22 80.680 8.672 -7.070 1.00 0.00 H new ATOM 298 N TYR A 23 77.985 4.417 -3.366 1.00 0.00 N ATOM 299 CA TYR A 23 76.597 3.858 -3.443 1.00 0.00 C ATOM 300 C TYR A 23 75.684 4.921 -4.061 1.00 0.00 C ATOM 301 O TYR A 23 75.781 6.092 -3.746 1.00 0.00 O ATOM 302 CB TYR A 23 76.095 3.524 -2.029 1.00 0.00 C ATOM 303 CG TYR A 23 76.632 2.184 -1.576 1.00 0.00 C ATOM 304 CD1 TYR A 23 75.899 1.022 -1.841 1.00 0.00 C ATOM 305 CD2 TYR A 23 77.848 2.103 -0.883 1.00 0.00 C ATOM 306 CE1 TYR A 23 76.378 -0.222 -1.415 1.00 0.00 C ATOM 307 CE2 TYR A 23 78.325 0.855 -0.455 1.00 0.00 C ATOM 308 CZ TYR A 23 77.590 -0.306 -0.722 1.00 0.00 C ATOM 309 OH TYR A 23 78.062 -1.531 -0.300 1.00 0.00 O ATOM 0 H TYR A 23 78.075 5.247 -2.780 1.00 0.00 H new ATOM 0 HA TYR A 23 76.593 2.952 -4.048 1.00 0.00 H new ATOM 0 HB2 TYR A 23 76.409 4.302 -1.333 1.00 0.00 H new ATOM 0 HB3 TYR A 23 75.005 3.507 -2.019 1.00 0.00 H new ATOM 0 HD1 TYR A 23 74.962 1.085 -2.375 1.00 0.00 H new ATOM 0 HD2 TYR A 23 78.416 2.999 -0.679 1.00 0.00 H new ATOM 0 HE1 TYR A 23 75.811 -1.118 -1.622 1.00 0.00 H new ATOM 0 HE2 TYR A 23 79.260 0.790 0.081 1.00 0.00 H new ATOM 0 HH TYR A 23 78.929 -1.710 -0.720 1.00 0.00 H new ATOM 319 N THR A 24 74.797 4.526 -4.935 1.00 0.00 N ATOM 320 CA THR A 24 73.874 5.513 -5.576 1.00 0.00 C ATOM 321 C THR A 24 72.475 4.916 -5.659 1.00 0.00 C ATOM 322 O THR A 24 72.303 3.716 -5.714 1.00 0.00 O ATOM 323 CB THR A 24 74.367 5.827 -6.988 1.00 0.00 C ATOM 324 OG1 THR A 24 74.313 4.646 -7.774 1.00 0.00 O ATOM 325 CG2 THR A 24 75.806 6.337 -6.922 1.00 0.00 C ATOM 0 H THR A 24 74.670 3.559 -5.235 1.00 0.00 H new ATOM 0 HA THR A 24 73.851 6.427 -4.982 1.00 0.00 H new ATOM 0 HB THR A 24 73.735 6.593 -7.438 1.00 0.00 H new ATOM 0 HG1 THR A 24 74.627 4.842 -8.681 1.00 0.00 H new ATOM 0 HG21 THR A 24 76.159 6.561 -7.929 1.00 0.00 H new ATOM 0 HG22 THR A 24 75.844 7.241 -6.314 1.00 0.00 H new ATOM 0 HG23 THR A 24 76.443 5.573 -6.476 1.00 0.00 H new ATOM 333 N TYR A 25 71.475 5.743 -5.671 1.00 0.00 N ATOM 334 CA TYR A 25 70.084 5.231 -5.755 1.00 0.00 C ATOM 335 C TYR A 25 69.776 4.902 -7.219 1.00 0.00 C ATOM 336 O TYR A 25 69.936 5.724 -8.100 1.00 0.00 O ATOM 337 CB TYR A 25 69.141 6.317 -5.248 1.00 0.00 C ATOM 338 CG TYR A 25 67.771 5.744 -5.015 1.00 0.00 C ATOM 339 CD1 TYR A 25 66.882 5.595 -6.084 1.00 0.00 C ATOM 340 CD2 TYR A 25 67.384 5.374 -3.724 1.00 0.00 C ATOM 341 CE1 TYR A 25 65.605 5.077 -5.861 1.00 0.00 C ATOM 342 CE2 TYR A 25 66.105 4.858 -3.498 1.00 0.00 C ATOM 343 CZ TYR A 25 65.215 4.710 -4.568 1.00 0.00 C ATOM 344 OH TYR A 25 63.950 4.205 -4.347 1.00 0.00 O ATOM 0 H TYR A 25 71.561 6.758 -5.626 1.00 0.00 H new ATOM 0 HA TYR A 25 69.959 4.333 -5.151 1.00 0.00 H new ATOM 0 HB2 TYR A 25 69.528 6.742 -4.322 1.00 0.00 H new ATOM 0 HB3 TYR A 25 69.086 7.129 -5.973 1.00 0.00 H new ATOM 0 HD1 TYR A 25 67.183 5.880 -7.081 1.00 0.00 H new ATOM 0 HD2 TYR A 25 68.074 5.487 -2.901 1.00 0.00 H new ATOM 0 HE1 TYR A 25 64.918 4.959 -6.686 1.00 0.00 H new ATOM 0 HE2 TYR A 25 65.804 4.574 -2.500 1.00 0.00 H new ATOM 0 HH TYR A 25 63.957 3.234 -4.482 1.00 0.00 H new ATOM 354 N ASN A 26 69.356 3.692 -7.488 1.00 0.00 N ATOM 355 CA ASN A 26 69.060 3.284 -8.896 1.00 0.00 C ATOM 356 C ASN A 26 67.623 3.650 -9.274 1.00 0.00 C ATOM 357 O ASN A 26 66.717 2.855 -9.130 1.00 0.00 O ATOM 358 CB ASN A 26 69.236 1.766 -9.018 1.00 0.00 C ATOM 359 CG ASN A 26 69.245 1.363 -10.494 1.00 0.00 C ATOM 360 OD1 ASN A 26 69.449 2.187 -11.363 1.00 0.00 O ATOM 361 ND2 ASN A 26 69.034 0.114 -10.815 1.00 0.00 N ATOM 0 H ASN A 26 69.204 2.965 -6.789 1.00 0.00 H new ATOM 0 HA ASN A 26 69.743 3.805 -9.567 1.00 0.00 H new ATOM 0 HB2 ASN A 26 70.167 1.459 -8.542 1.00 0.00 H new ATOM 0 HB3 ASN A 26 68.428 1.254 -8.496 1.00 0.00 H new ATOM 0 HD21 ASN A 26 69.041 -0.169 -11.795 1.00 0.00 H new ATOM 0 HD22 ASN A 26 68.863 -0.578 -10.086 1.00 0.00 H new ATOM 368 N SER A 27 67.403 4.835 -9.775 1.00 0.00 N ATOM 369 CA SER A 27 66.021 5.219 -10.177 1.00 0.00 C ATOM 370 C SER A 27 65.720 4.601 -11.546 1.00 0.00 C ATOM 371 O SER A 27 64.605 4.636 -12.025 1.00 0.00 O ATOM 372 CB SER A 27 65.903 6.743 -10.263 1.00 0.00 C ATOM 373 OG SER A 27 66.467 7.323 -9.094 1.00 0.00 O ATOM 0 H SER A 27 68.116 5.550 -9.922 1.00 0.00 H new ATOM 0 HA SER A 27 65.309 4.855 -9.437 1.00 0.00 H new ATOM 0 HB2 SER A 27 66.419 7.110 -11.150 1.00 0.00 H new ATOM 0 HB3 SER A 27 64.857 7.034 -10.359 1.00 0.00 H new ATOM 0 HG SER A 27 66.395 8.299 -9.146 1.00 0.00 H new ATOM 379 N GLY A 28 66.715 4.037 -12.183 1.00 0.00 N ATOM 380 CA GLY A 28 66.496 3.420 -13.524 1.00 0.00 C ATOM 381 C GLY A 28 65.346 2.416 -13.451 1.00 0.00 C ATOM 382 O GLY A 28 64.887 1.921 -14.459 1.00 0.00 O ATOM 0 H GLY A 28 67.670 3.978 -11.831 1.00 0.00 H new ATOM 0 HA2 GLY A 28 66.269 4.194 -14.258 1.00 0.00 H new ATOM 0 HA3 GLY A 28 67.406 2.921 -13.858 1.00 0.00 H new ATOM 386 N VAL A 29 64.862 2.130 -12.267 1.00 0.00 N ATOM 387 CA VAL A 29 63.717 1.176 -12.115 1.00 0.00 C ATOM 388 C VAL A 29 62.474 1.992 -11.743 1.00 0.00 C ATOM 389 O VAL A 29 62.467 2.731 -10.780 1.00 0.00 O ATOM 390 CB VAL A 29 64.034 0.142 -11.018 1.00 0.00 C ATOM 391 CG1 VAL A 29 64.757 -1.064 -11.631 1.00 0.00 C ATOM 392 CG2 VAL A 29 64.931 0.781 -9.954 1.00 0.00 C ATOM 0 H VAL A 29 65.213 2.519 -11.392 1.00 0.00 H new ATOM 0 HA VAL A 29 63.544 0.634 -13.044 1.00 0.00 H new ATOM 0 HB VAL A 29 63.101 -0.189 -10.561 1.00 0.00 H new ATOM 0 HG11 VAL A 29 64.978 -1.791 -10.850 1.00 0.00 H new ATOM 0 HG12 VAL A 29 64.120 -1.525 -12.386 1.00 0.00 H new ATOM 0 HG13 VAL A 29 65.687 -0.734 -12.093 1.00 0.00 H new ATOM 0 HG21 VAL A 29 65.154 0.048 -9.179 1.00 0.00 H new ATOM 0 HG22 VAL A 29 65.860 1.116 -10.415 1.00 0.00 H new ATOM 0 HG23 VAL A 29 64.418 1.634 -9.510 1.00 0.00 H new ATOM 402 N SER A 30 61.444 1.885 -12.528 1.00 0.00 N ATOM 403 CA SER A 30 60.205 2.671 -12.270 1.00 0.00 C ATOM 404 C SER A 30 59.553 2.277 -10.939 1.00 0.00 C ATOM 405 O SER A 30 59.002 3.110 -10.248 1.00 0.00 O ATOM 406 CB SER A 30 59.214 2.425 -13.402 1.00 0.00 C ATOM 407 OG SER A 30 58.693 1.105 -13.290 1.00 0.00 O ATOM 0 H SER A 30 61.405 1.280 -13.348 1.00 0.00 H new ATOM 0 HA SER A 30 60.476 3.725 -12.217 1.00 0.00 H new ATOM 0 HB2 SER A 30 58.404 3.153 -13.357 1.00 0.00 H new ATOM 0 HB3 SER A 30 59.706 2.554 -14.366 1.00 0.00 H new ATOM 0 HG SER A 30 58.054 0.943 -14.015 1.00 0.00 H new ATOM 413 N VAL A 31 59.576 1.021 -10.583 1.00 0.00 N ATOM 414 CA VAL A 31 58.912 0.602 -9.310 1.00 0.00 C ATOM 415 C VAL A 31 59.500 1.370 -8.114 1.00 0.00 C ATOM 416 O VAL A 31 58.791 1.714 -7.188 1.00 0.00 O ATOM 417 CB VAL A 31 59.098 -0.908 -9.087 1.00 0.00 C ATOM 418 CG1 VAL A 31 58.276 -1.705 -10.104 1.00 0.00 C ATOM 419 CG2 VAL A 31 60.571 -1.283 -9.244 1.00 0.00 C ATOM 0 H VAL A 31 60.021 0.271 -11.112 1.00 0.00 H new ATOM 0 HA VAL A 31 57.849 0.829 -9.390 1.00 0.00 H new ATOM 0 HB VAL A 31 58.759 -1.147 -8.079 1.00 0.00 H new ATOM 0 HG11 VAL A 31 58.419 -2.772 -9.932 1.00 0.00 H new ATOM 0 HG12 VAL A 31 57.220 -1.458 -9.992 1.00 0.00 H new ATOM 0 HG13 VAL A 31 58.603 -1.453 -11.113 1.00 0.00 H new ATOM 0 HG21 VAL A 31 60.693 -2.354 -9.084 1.00 0.00 H new ATOM 0 HG22 VAL A 31 60.907 -1.025 -10.248 1.00 0.00 H new ATOM 0 HG23 VAL A 31 61.166 -0.737 -8.511 1.00 0.00 H new ATOM 429 N CYS A 32 60.779 1.634 -8.111 1.00 0.00 N ATOM 430 CA CYS A 32 61.385 2.367 -6.955 1.00 0.00 C ATOM 431 C CYS A 32 60.764 3.766 -6.821 1.00 0.00 C ATOM 432 O CYS A 32 60.475 4.223 -5.732 1.00 0.00 O ATOM 433 CB CYS A 32 62.897 2.495 -7.176 1.00 0.00 C ATOM 434 SG CYS A 32 63.703 0.932 -6.745 1.00 0.00 S ATOM 0 H CYS A 32 61.430 1.377 -8.853 1.00 0.00 H new ATOM 0 HA CYS A 32 61.189 1.810 -6.039 1.00 0.00 H new ATOM 0 HB2 CYS A 32 63.103 2.749 -8.216 1.00 0.00 H new ATOM 0 HB3 CYS A 32 63.298 3.304 -6.565 1.00 0.00 H new ATOM 0 HG CYS A 32 64.748 1.171 -6.010 1.00 0.00 H new ATOM 439 N MET A 33 60.563 4.452 -7.911 1.00 0.00 N ATOM 440 CA MET A 33 59.972 5.817 -7.832 1.00 0.00 C ATOM 441 C MET A 33 58.474 5.741 -7.515 1.00 0.00 C ATOM 442 O MET A 33 57.891 6.703 -7.056 1.00 0.00 O ATOM 443 CB MET A 33 60.183 6.535 -9.164 1.00 0.00 C ATOM 444 CG MET A 33 61.668 6.864 -9.335 1.00 0.00 C ATOM 445 SD MET A 33 62.052 8.354 -8.372 1.00 0.00 S ATOM 446 CE MET A 33 63.487 7.722 -7.463 1.00 0.00 C ATOM 0 H MET A 33 60.782 4.127 -8.853 1.00 0.00 H new ATOM 0 HA MET A 33 60.465 6.370 -7.032 1.00 0.00 H new ATOM 0 HB2 MET A 33 59.841 5.907 -9.986 1.00 0.00 H new ATOM 0 HB3 MET A 33 59.591 7.450 -9.194 1.00 0.00 H new ATOM 0 HG2 MET A 33 62.281 6.028 -8.998 1.00 0.00 H new ATOM 0 HG3 MET A 33 61.900 7.025 -10.388 1.00 0.00 H new ATOM 0 HE1 MET A 33 64.108 8.557 -7.138 1.00 0.00 H new ATOM 0 HE2 MET A 33 63.148 7.161 -6.592 1.00 0.00 H new ATOM 0 HE3 MET A 33 64.069 7.068 -8.112 1.00 0.00 H new ATOM 456 N GLN A 34 57.836 4.626 -7.757 1.00 0.00 N ATOM 457 CA GLN A 34 56.373 4.548 -7.459 1.00 0.00 C ATOM 458 C GLN A 34 56.127 4.801 -5.968 1.00 0.00 C ATOM 459 O GLN A 34 55.199 5.495 -5.598 1.00 0.00 O ATOM 460 CB GLN A 34 55.816 3.166 -7.832 1.00 0.00 C ATOM 461 CG GLN A 34 55.729 3.015 -9.356 1.00 0.00 C ATOM 462 CD GLN A 34 54.618 3.914 -9.909 1.00 0.00 C ATOM 463 OE1 GLN A 34 53.459 3.745 -9.579 1.00 0.00 O ATOM 464 NE2 GLN A 34 54.922 4.865 -10.751 1.00 0.00 N ATOM 0 H GLN A 34 58.254 3.779 -8.141 1.00 0.00 H new ATOM 0 HA GLN A 34 55.865 5.309 -8.051 1.00 0.00 H new ATOM 0 HB2 GLN A 34 56.456 2.386 -7.419 1.00 0.00 H new ATOM 0 HB3 GLN A 34 54.828 3.034 -7.391 1.00 0.00 H new ATOM 0 HG2 GLN A 34 56.683 3.280 -9.811 1.00 0.00 H new ATOM 0 HG3 GLN A 34 55.530 1.975 -9.616 1.00 0.00 H new ATOM 0 HE21 GLN A 34 55.893 5.009 -11.029 1.00 0.00 H new ATOM 0 HE22 GLN A 34 54.189 5.464 -11.130 1.00 0.00 H new ATOM 473 N GLY A 35 56.935 4.253 -5.103 1.00 0.00 N ATOM 474 CA GLY A 35 56.709 4.487 -3.648 1.00 0.00 C ATOM 475 C GLY A 35 57.215 5.873 -3.261 1.00 0.00 C ATOM 476 O GLY A 35 56.554 6.620 -2.568 1.00 0.00 O ATOM 0 H GLY A 35 57.732 3.661 -5.336 1.00 0.00 H new ATOM 0 HA2 GLY A 35 55.647 4.400 -3.417 1.00 0.00 H new ATOM 0 HA3 GLY A 35 57.225 3.725 -3.064 1.00 0.00 H new ATOM 480 N LEU A 36 58.394 6.209 -3.687 1.00 0.00 N ATOM 481 CA LEU A 36 58.975 7.529 -3.334 1.00 0.00 C ATOM 482 C LEU A 36 58.124 8.674 -3.913 1.00 0.00 C ATOM 483 O LEU A 36 57.870 9.662 -3.251 1.00 0.00 O ATOM 484 CB LEU A 36 60.391 7.572 -3.907 1.00 0.00 C ATOM 485 CG LEU A 36 61.135 8.825 -3.431 1.00 0.00 C ATOM 486 CD1 LEU A 36 61.545 8.681 -1.956 1.00 0.00 C ATOM 487 CD2 LEU A 36 62.389 9.010 -4.293 1.00 0.00 C ATOM 0 H LEU A 36 58.987 5.620 -4.271 1.00 0.00 H new ATOM 0 HA LEU A 36 58.994 7.657 -2.252 1.00 0.00 H new ATOM 0 HB2 LEU A 36 60.939 6.681 -3.601 1.00 0.00 H new ATOM 0 HB3 LEU A 36 60.348 7.561 -4.996 1.00 0.00 H new ATOM 0 HG LEU A 36 60.479 9.690 -3.526 1.00 0.00 H new ATOM 0 HD11 LEU A 36 62.072 9.580 -1.635 1.00 0.00 H new ATOM 0 HD12 LEU A 36 60.654 8.544 -1.343 1.00 0.00 H new ATOM 0 HD13 LEU A 36 62.200 7.817 -1.843 1.00 0.00 H new ATOM 0 HD21 LEU A 36 62.928 9.899 -3.965 1.00 0.00 H new ATOM 0 HD22 LEU A 36 63.033 8.136 -4.191 1.00 0.00 H new ATOM 0 HD23 LEU A 36 62.099 9.127 -5.337 1.00 0.00 H new ATOM 499 N ASN A 37 57.693 8.558 -5.137 1.00 0.00 N ATOM 500 CA ASN A 37 56.872 9.644 -5.755 1.00 0.00 C ATOM 501 C ASN A 37 55.563 9.830 -4.977 1.00 0.00 C ATOM 502 O ASN A 37 55.095 10.936 -4.786 1.00 0.00 O ATOM 503 CB ASN A 37 56.562 9.276 -7.204 1.00 0.00 C ATOM 504 CG ASN A 37 57.854 9.356 -8.018 1.00 0.00 C ATOM 505 OD1 ASN A 37 58.959 9.715 -7.421 1.00 0.00 O flip ATOM 506 ND2 ASN A 37 57.861 9.084 -9.203 1.00 0.00 N flip ATOM 0 H ASN A 37 57.873 7.756 -5.741 1.00 0.00 H new ATOM 0 HA ASN A 37 57.432 10.579 -5.723 1.00 0.00 H new ATOM 0 HB2 ASN A 37 56.144 8.271 -7.257 1.00 0.00 H new ATOM 0 HB3 ASN A 37 55.814 9.955 -7.614 1.00 0.00 H new ATOM 0 HD21 ASN A 37 56.997 8.804 -9.667 1.00 0.00 H new ATOM 0 HD22 ASN A 37 58.731 9.136 -9.733 1.00 0.00 H new ATOM 513 N GLU A 38 54.959 8.757 -4.548 1.00 0.00 N ATOM 514 CA GLU A 38 53.669 8.868 -3.807 1.00 0.00 C ATOM 515 C GLU A 38 53.914 9.367 -2.376 1.00 0.00 C ATOM 516 O GLU A 38 52.988 9.675 -1.652 1.00 0.00 O ATOM 517 CB GLU A 38 53.006 7.488 -3.762 1.00 0.00 C ATOM 518 CG GLU A 38 52.606 7.071 -5.179 1.00 0.00 C ATOM 519 CD GLU A 38 51.440 7.934 -5.660 1.00 0.00 C ATOM 520 OE1 GLU A 38 50.727 8.454 -4.817 1.00 0.00 O ATOM 521 OE2 GLU A 38 51.277 8.062 -6.862 1.00 0.00 O ATOM 0 H GLU A 38 55.303 7.806 -4.678 1.00 0.00 H new ATOM 0 HA GLU A 38 53.021 9.581 -4.316 1.00 0.00 H new ATOM 0 HB2 GLU A 38 53.692 6.756 -3.336 1.00 0.00 H new ATOM 0 HB3 GLU A 38 52.128 7.515 -3.117 1.00 0.00 H new ATOM 0 HG2 GLU A 38 53.455 7.181 -5.854 1.00 0.00 H new ATOM 0 HG3 GLU A 38 52.322 6.019 -5.192 1.00 0.00 H new ATOM 528 N GLY A 39 55.148 9.460 -1.963 1.00 0.00 N ATOM 529 CA GLY A 39 55.435 9.950 -0.583 1.00 0.00 C ATOM 530 C GLY A 39 55.072 8.868 0.437 1.00 0.00 C ATOM 531 O GLY A 39 54.824 9.149 1.595 1.00 0.00 O ATOM 0 H GLY A 39 55.969 9.219 -2.519 1.00 0.00 H new ATOM 0 HA2 GLY A 39 56.490 10.210 -0.491 1.00 0.00 H new ATOM 0 HA3 GLY A 39 54.865 10.857 -0.383 1.00 0.00 H new ATOM 535 N LYS A 40 55.077 7.628 0.022 1.00 0.00 N ATOM 536 CA LYS A 40 54.776 6.508 0.960 1.00 0.00 C ATOM 537 C LYS A 40 56.117 5.955 1.405 1.00 0.00 C ATOM 538 O LYS A 40 56.215 5.103 2.265 1.00 0.00 O ATOM 539 CB LYS A 40 53.971 5.422 0.227 1.00 0.00 C ATOM 540 CG LYS A 40 52.553 5.928 -0.072 1.00 0.00 C ATOM 541 CD LYS A 40 51.764 4.832 -0.804 1.00 0.00 C ATOM 542 CE LYS A 40 50.329 5.306 -1.064 1.00 0.00 C ATOM 543 NZ LYS A 40 50.353 6.579 -1.834 1.00 0.00 N ATOM 0 H LYS A 40 55.279 7.342 -0.936 1.00 0.00 H new ATOM 0 HA LYS A 40 54.186 6.844 1.813 1.00 0.00 H new ATOM 0 HB2 LYS A 40 54.472 5.152 -0.702 1.00 0.00 H new ATOM 0 HB3 LYS A 40 53.923 4.520 0.837 1.00 0.00 H new ATOM 0 HG2 LYS A 40 52.048 6.197 0.856 1.00 0.00 H new ATOM 0 HG3 LYS A 40 52.598 6.829 -0.684 1.00 0.00 H new ATOM 0 HD2 LYS A 40 52.252 4.589 -1.748 1.00 0.00 H new ATOM 0 HD3 LYS A 40 51.752 3.920 -0.207 1.00 0.00 H new ATOM 0 HE2 LYS A 40 49.779 4.545 -1.618 1.00 0.00 H new ATOM 0 HE3 LYS A 40 49.807 5.452 -0.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 49.380 6.862 -2.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 50.802 7.322 -1.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 50.894 6.444 -2.712 1.00 0.00 H new ATOM 557 N VAL A 41 57.151 6.460 0.794 1.00 0.00 N ATOM 558 CA VAL A 41 58.535 6.026 1.108 1.00 0.00 C ATOM 559 C VAL A 41 59.424 7.265 1.211 1.00 0.00 C ATOM 560 O VAL A 41 59.102 8.318 0.703 1.00 0.00 O ATOM 561 CB VAL A 41 59.038 5.142 -0.027 1.00 0.00 C ATOM 562 CG1 VAL A 41 60.481 4.706 0.228 1.00 0.00 C ATOM 563 CG2 VAL A 41 58.121 3.919 -0.166 1.00 0.00 C ATOM 0 H VAL A 41 57.089 7.176 0.070 1.00 0.00 H new ATOM 0 HA VAL A 41 58.557 5.473 2.047 1.00 0.00 H new ATOM 0 HB VAL A 41 59.019 5.710 -0.957 1.00 0.00 H new ATOM 0 HG11 VAL A 41 60.821 4.076 -0.594 1.00 0.00 H new ATOM 0 HG12 VAL A 41 61.120 5.586 0.299 1.00 0.00 H new ATOM 0 HG13 VAL A 41 60.532 4.145 1.161 1.00 0.00 H new ATOM 0 HG21 VAL A 41 58.480 3.286 -0.978 1.00 0.00 H new ATOM 0 HG22 VAL A 41 58.126 3.353 0.765 1.00 0.00 H new ATOM 0 HG23 VAL A 41 57.105 4.249 -0.385 1.00 0.00 H new ATOM 573 N ARG A 42 60.545 7.132 1.859 1.00 0.00 N ATOM 574 CA ARG A 42 61.498 8.280 2.012 1.00 0.00 C ATOM 575 C ARG A 42 62.819 7.905 1.345 1.00 0.00 C ATOM 576 O ARG A 42 63.702 8.717 1.191 1.00 0.00 O ATOM 577 CB ARG A 42 61.718 8.542 3.510 1.00 0.00 C ATOM 578 CG ARG A 42 62.732 9.675 3.724 1.00 0.00 C ATOM 579 CD ARG A 42 62.802 10.017 5.216 1.00 0.00 C ATOM 580 NE ARG A 42 63.892 11.010 5.448 1.00 0.00 N ATOM 581 CZ ARG A 42 63.729 12.249 5.077 1.00 0.00 C ATOM 582 NH1 ARG A 42 62.612 12.613 4.512 1.00 0.00 N ATOM 583 NH2 ARG A 42 64.679 13.123 5.269 1.00 0.00 N ATOM 0 H ARG A 42 60.852 6.264 2.299 1.00 0.00 H new ATOM 0 HA ARG A 42 61.098 9.180 1.545 1.00 0.00 H new ATOM 0 HB2 ARG A 42 60.770 8.803 3.981 1.00 0.00 H new ATOM 0 HB3 ARG A 42 62.075 7.633 3.994 1.00 0.00 H new ATOM 0 HG2 ARG A 42 63.715 9.372 3.362 1.00 0.00 H new ATOM 0 HG3 ARG A 42 62.438 10.554 3.151 1.00 0.00 H new ATOM 0 HD2 ARG A 42 61.848 10.423 5.552 1.00 0.00 H new ATOM 0 HD3 ARG A 42 62.987 9.115 5.799 1.00 0.00 H new ATOM 0 HE ARG A 42 64.762 10.720 5.895 1.00 0.00 H new ATOM 0 HH11 ARG A 42 61.870 11.929 4.362 1.00 0.00 H new ATOM 0 HH12 ARG A 42 62.480 13.581 4.220 1.00 0.00 H new ATOM 0 HH21 ARG A 42 65.553 12.838 5.711 1.00 0.00 H new ATOM 0 HH22 ARG A 42 64.548 14.092 4.977 1.00 0.00 H new ATOM 597 N GLY A 43 62.950 6.667 0.941 1.00 0.00 N ATOM 598 CA GLY A 43 64.218 6.211 0.277 1.00 0.00 C ATOM 599 C GLY A 43 64.582 4.827 0.812 1.00 0.00 C ATOM 600 O GLY A 43 63.747 4.139 1.362 1.00 0.00 O ATOM 0 H GLY A 43 62.234 5.947 1.041 1.00 0.00 H new ATOM 0 HA2 GLY A 43 64.086 6.175 -0.804 1.00 0.00 H new ATOM 0 HA3 GLY A 43 65.024 6.917 0.477 1.00 0.00 H new ATOM 604 N VAL A 44 65.817 4.401 0.658 1.00 0.00 N ATOM 605 CA VAL A 44 66.228 3.048 1.165 1.00 0.00 C ATOM 606 C VAL A 44 67.358 3.205 2.181 1.00 0.00 C ATOM 607 O VAL A 44 68.369 3.822 1.909 1.00 0.00 O ATOM 608 CB VAL A 44 66.720 2.198 -0.014 1.00 0.00 C ATOM 609 CG1 VAL A 44 67.214 0.835 0.495 1.00 0.00 C ATOM 610 CG2 VAL A 44 65.565 1.989 -1.007 1.00 0.00 C ATOM 0 H VAL A 44 66.559 4.933 0.203 1.00 0.00 H new ATOM 0 HA VAL A 44 65.377 2.562 1.642 1.00 0.00 H new ATOM 0 HB VAL A 44 67.542 2.712 -0.511 1.00 0.00 H new ATOM 0 HG11 VAL A 44 67.562 0.236 -0.347 1.00 0.00 H new ATOM 0 HG12 VAL A 44 68.034 0.984 1.197 1.00 0.00 H new ATOM 0 HG13 VAL A 44 66.397 0.316 0.996 1.00 0.00 H new ATOM 0 HG21 VAL A 44 65.911 1.385 -1.846 1.00 0.00 H new ATOM 0 HG22 VAL A 44 64.743 1.477 -0.507 1.00 0.00 H new ATOM 0 HG23 VAL A 44 65.221 2.956 -1.373 1.00 0.00 H new ATOM 620 N SER A 45 67.205 2.638 3.349 1.00 0.00 N ATOM 621 CA SER A 45 68.280 2.743 4.376 1.00 0.00 C ATOM 622 C SER A 45 69.296 1.632 4.124 1.00 0.00 C ATOM 623 O SER A 45 68.932 0.512 3.828 1.00 0.00 O ATOM 624 CB SER A 45 67.668 2.589 5.776 1.00 0.00 C ATOM 625 OG SER A 45 67.214 3.857 6.231 1.00 0.00 O ATOM 0 H SER A 45 66.382 2.107 3.635 1.00 0.00 H new ATOM 0 HA SER A 45 68.771 3.714 4.314 1.00 0.00 H new ATOM 0 HB2 SER A 45 66.839 1.882 5.748 1.00 0.00 H new ATOM 0 HB3 SER A 45 68.408 2.185 6.467 1.00 0.00 H new ATOM 0 HG SER A 45 66.821 3.763 7.124 1.00 0.00 H new ATOM 631 N VAL A 46 70.570 1.930 4.234 1.00 0.00 N ATOM 632 CA VAL A 46 71.611 0.881 3.997 1.00 0.00 C ATOM 633 C VAL A 46 72.637 0.899 5.118 1.00 0.00 C ATOM 634 O VAL A 46 73.140 1.935 5.507 1.00 0.00 O ATOM 635 CB VAL A 46 72.316 1.128 2.658 1.00 0.00 C ATOM 636 CG1 VAL A 46 71.272 1.288 1.554 1.00 0.00 C ATOM 637 CG2 VAL A 46 73.177 2.393 2.741 1.00 0.00 C ATOM 0 H VAL A 46 70.932 2.852 4.477 1.00 0.00 H new ATOM 0 HA VAL A 46 71.121 -0.093 3.972 1.00 0.00 H new ATOM 0 HB VAL A 46 72.959 0.277 2.431 1.00 0.00 H new ATOM 0 HG11 VAL A 46 71.773 1.464 0.602 1.00 0.00 H new ATOM 0 HG12 VAL A 46 70.672 0.380 1.486 1.00 0.00 H new ATOM 0 HG13 VAL A 46 70.625 2.134 1.785 1.00 0.00 H new ATOM 0 HG21 VAL A 46 73.673 2.559 1.785 1.00 0.00 H new ATOM 0 HG22 VAL A 46 72.544 3.249 2.975 1.00 0.00 H new ATOM 0 HG23 VAL A 46 73.927 2.272 3.523 1.00 0.00 H new ATOM 647 N SER A 47 72.968 -0.260 5.612 1.00 0.00 N ATOM 648 CA SER A 47 73.985 -0.381 6.690 1.00 0.00 C ATOM 649 C SER A 47 75.040 -1.356 6.195 1.00 0.00 C ATOM 650 O SER A 47 74.747 -2.260 5.443 1.00 0.00 O ATOM 651 CB SER A 47 73.332 -0.928 7.957 1.00 0.00 C ATOM 652 OG SER A 47 73.096 -2.321 7.802 1.00 0.00 O ATOM 0 H SER A 47 72.567 -1.147 5.307 1.00 0.00 H new ATOM 0 HA SER A 47 74.425 0.588 6.923 1.00 0.00 H new ATOM 0 HB2 SER A 47 73.977 -0.751 8.818 1.00 0.00 H new ATOM 0 HB3 SER A 47 72.394 -0.408 8.149 1.00 0.00 H new ATOM 0 HG SER A 47 72.678 -2.674 8.615 1.00 0.00 H new ATOM 658 N GLY A 48 76.268 -1.182 6.580 1.00 0.00 N ATOM 659 CA GLY A 48 77.323 -2.119 6.084 1.00 0.00 C ATOM 660 C GLY A 48 78.465 -2.235 7.093 1.00 0.00 C ATOM 661 O GLY A 48 78.863 -1.267 7.708 1.00 0.00 O ATOM 0 H GLY A 48 76.591 -0.445 7.207 1.00 0.00 H new ATOM 0 HA2 GLY A 48 76.888 -3.102 5.906 1.00 0.00 H new ATOM 0 HA3 GLY A 48 77.710 -1.765 5.129 1.00 0.00 H new ATOM 665 N VAL A 49 79.005 -3.421 7.240 1.00 0.00 N ATOM 666 CA VAL A 49 80.149 -3.643 8.179 1.00 0.00 C ATOM 667 C VAL A 49 81.301 -4.283 7.404 1.00 0.00 C ATOM 668 O VAL A 49 81.120 -5.248 6.688 1.00 0.00 O ATOM 669 CB VAL A 49 79.719 -4.563 9.331 1.00 0.00 C ATOM 670 CG1 VAL A 49 80.933 -4.898 10.210 1.00 0.00 C ATOM 671 CG2 VAL A 49 78.678 -3.842 10.184 1.00 0.00 C ATOM 0 H VAL A 49 78.697 -4.256 6.742 1.00 0.00 H new ATOM 0 HA VAL A 49 80.468 -2.690 8.600 1.00 0.00 H new ATOM 0 HB VAL A 49 79.300 -5.482 8.921 1.00 0.00 H new ATOM 0 HG11 VAL A 49 80.622 -5.551 11.026 1.00 0.00 H new ATOM 0 HG12 VAL A 49 81.689 -5.403 9.609 1.00 0.00 H new ATOM 0 HG13 VAL A 49 81.350 -3.978 10.620 1.00 0.00 H new ATOM 0 HG21 VAL A 49 78.368 -4.490 11.004 1.00 0.00 H new ATOM 0 HG22 VAL A 49 79.110 -2.926 10.588 1.00 0.00 H new ATOM 0 HG23 VAL A 49 77.812 -3.595 9.570 1.00 0.00 H new ATOM 681 N PHE A 50 82.482 -3.739 7.529 1.00 0.00 N ATOM 682 CA PHE A 50 83.664 -4.289 6.795 1.00 0.00 C ATOM 683 C PHE A 50 84.546 -5.066 7.783 1.00 0.00 C ATOM 684 O PHE A 50 84.989 -4.533 8.780 1.00 0.00 O ATOM 685 CB PHE A 50 84.445 -3.115 6.186 1.00 0.00 C ATOM 686 CG PHE A 50 83.698 -2.589 4.972 1.00 0.00 C ATOM 687 CD1 PHE A 50 83.582 -3.387 3.826 1.00 0.00 C ATOM 688 CD2 PHE A 50 83.112 -1.311 4.992 1.00 0.00 C ATOM 689 CE1 PHE A 50 82.889 -2.911 2.706 1.00 0.00 C ATOM 690 CE2 PHE A 50 82.419 -0.840 3.873 1.00 0.00 C ATOM 691 CZ PHE A 50 82.308 -1.638 2.731 1.00 0.00 C ATOM 0 H PHE A 50 82.682 -2.928 8.114 1.00 0.00 H new ATOM 0 HA PHE A 50 83.348 -4.964 6.000 1.00 0.00 H new ATOM 0 HB2 PHE A 50 84.566 -2.322 6.924 1.00 0.00 H new ATOM 0 HB3 PHE A 50 85.445 -3.439 5.899 1.00 0.00 H new ATOM 0 HD1 PHE A 50 84.028 -4.371 3.806 1.00 0.00 H new ATOM 0 HD2 PHE A 50 83.197 -0.692 5.873 1.00 0.00 H new ATOM 0 HE1 PHE A 50 82.803 -3.526 1.823 1.00 0.00 H new ATOM 0 HE2 PHE A 50 81.969 0.142 3.891 1.00 0.00 H new ATOM 0 HZ PHE A 50 81.773 -1.272 1.867 1.00 0.00 H new ATOM 701 N TYR A 51 84.784 -6.328 7.524 1.00 0.00 N ATOM 702 CA TYR A 51 85.612 -7.151 8.462 1.00 0.00 C ATOM 703 C TYR A 51 87.082 -7.122 8.044 1.00 0.00 C ATOM 704 O TYR A 51 87.425 -7.434 6.926 1.00 0.00 O ATOM 705 CB TYR A 51 85.089 -8.596 8.437 1.00 0.00 C ATOM 706 CG TYR A 51 83.856 -8.687 9.304 1.00 0.00 C ATOM 707 CD1 TYR A 51 82.631 -8.201 8.833 1.00 0.00 C ATOM 708 CD2 TYR A 51 83.945 -9.236 10.587 1.00 0.00 C ATOM 709 CE1 TYR A 51 81.493 -8.271 9.644 1.00 0.00 C ATOM 710 CE2 TYR A 51 82.808 -9.302 11.399 1.00 0.00 C ATOM 711 CZ TYR A 51 81.582 -8.821 10.927 1.00 0.00 C ATOM 712 OH TYR A 51 80.462 -8.882 11.728 1.00 0.00 O ATOM 0 H TYR A 51 84.440 -6.825 6.702 1.00 0.00 H new ATOM 0 HA TYR A 51 85.537 -6.742 9.470 1.00 0.00 H new ATOM 0 HB2 TYR A 51 84.854 -8.894 7.415 1.00 0.00 H new ATOM 0 HB3 TYR A 51 85.856 -9.280 8.800 1.00 0.00 H new ATOM 0 HD1 TYR A 51 82.564 -7.772 7.844 1.00 0.00 H new ATOM 0 HD2 TYR A 51 84.891 -9.609 10.951 1.00 0.00 H new ATOM 0 HE1 TYR A 51 80.546 -7.901 9.280 1.00 0.00 H new ATOM 0 HE2 TYR A 51 82.877 -9.724 12.391 1.00 0.00 H new ATOM 0 HH TYR A 51 80.696 -9.293 12.586 1.00 0.00 H new ATOM 722 N TYR A 52 87.958 -6.755 8.953 1.00 0.00 N ATOM 723 CA TYR A 52 89.419 -6.703 8.633 1.00 0.00 C ATOM 724 C TYR A 52 90.154 -7.836 9.359 1.00 0.00 C ATOM 725 O TYR A 52 89.937 -8.080 10.532 1.00 0.00 O ATOM 726 CB TYR A 52 89.995 -5.360 9.096 1.00 0.00 C ATOM 727 CG TYR A 52 89.362 -4.224 8.318 1.00 0.00 C ATOM 728 CD1 TYR A 52 89.923 -3.815 7.102 1.00 0.00 C ATOM 729 CD2 TYR A 52 88.224 -3.574 8.816 1.00 0.00 C ATOM 730 CE1 TYR A 52 89.351 -2.758 6.385 1.00 0.00 C ATOM 731 CE2 TYR A 52 87.652 -2.515 8.099 1.00 0.00 C ATOM 732 CZ TYR A 52 88.216 -2.106 6.882 1.00 0.00 C ATOM 733 OH TYR A 52 87.655 -1.061 6.173 1.00 0.00 O ATOM 0 H TYR A 52 87.719 -6.488 9.908 1.00 0.00 H new ATOM 0 HA TYR A 52 89.551 -6.814 7.557 1.00 0.00 H new ATOM 0 HB2 TYR A 52 89.813 -5.226 10.162 1.00 0.00 H new ATOM 0 HB3 TYR A 52 91.076 -5.351 8.953 1.00 0.00 H new ATOM 0 HD1 TYR A 52 90.799 -4.316 6.717 1.00 0.00 H new ATOM 0 HD2 TYR A 52 87.788 -3.890 9.752 1.00 0.00 H new ATOM 0 HE1 TYR A 52 89.786 -2.445 5.447 1.00 0.00 H new ATOM 0 HE2 TYR A 52 86.776 -2.013 8.484 1.00 0.00 H new ATOM 0 HH TYR A 52 86.873 -0.720 6.656 1.00 0.00 H new ATOM 743 N ASN A 53 91.035 -8.514 8.673 1.00 0.00 N ATOM 744 CA ASN A 53 91.804 -9.615 9.316 1.00 0.00 C ATOM 745 C ASN A 53 92.608 -9.021 10.467 1.00 0.00 C ATOM 746 O ASN A 53 93.124 -9.722 11.316 1.00 0.00 O ATOM 747 CB ASN A 53 92.762 -10.235 8.296 1.00 0.00 C ATOM 748 CG ASN A 53 91.972 -11.024 7.244 1.00 0.00 C ATOM 749 OD1 ASN A 53 92.141 -10.813 6.060 1.00 0.00 O ATOM 750 ND2 ASN A 53 91.118 -11.934 7.627 1.00 0.00 N ATOM 0 H ASN A 53 91.255 -8.351 7.690 1.00 0.00 H new ATOM 0 HA ASN A 53 91.126 -10.386 9.682 1.00 0.00 H new ATOM 0 HB2 ASN A 53 93.347 -9.453 7.812 1.00 0.00 H new ATOM 0 HB3 ASN A 53 93.468 -10.894 8.802 1.00 0.00 H new ATOM 0 HD21 ASN A 53 90.594 -12.466 6.932 1.00 0.00 H new ATOM 0 HD22 ASN A 53 90.975 -12.113 8.621 1.00 0.00 H new ATOM 757 N ASP A 54 92.713 -7.718 10.504 1.00 0.00 N ATOM 758 CA ASP A 54 93.474 -7.063 11.597 1.00 0.00 C ATOM 759 C ASP A 54 92.704 -7.250 12.907 1.00 0.00 C ATOM 760 O ASP A 54 93.123 -6.809 13.958 1.00 0.00 O ATOM 761 CB ASP A 54 93.624 -5.568 11.294 1.00 0.00 C ATOM 762 CG ASP A 54 94.650 -4.947 12.244 1.00 0.00 C ATOM 763 OD1 ASP A 54 94.335 -4.812 13.415 1.00 0.00 O ATOM 764 OD2 ASP A 54 95.733 -4.620 11.787 1.00 0.00 O ATOM 0 H ASP A 54 92.302 -7.082 9.821 1.00 0.00 H new ATOM 0 HA ASP A 54 94.465 -7.508 11.682 1.00 0.00 H new ATOM 0 HB2 ASP A 54 93.940 -5.427 10.260 1.00 0.00 H new ATOM 0 HB3 ASP A 54 92.662 -5.067 11.405 1.00 0.00 H new ATOM 769 N GLY A 55 91.583 -7.926 12.846 1.00 0.00 N ATOM 770 CA GLY A 55 90.776 -8.176 14.077 1.00 0.00 C ATOM 771 C GLY A 55 89.887 -6.967 14.394 1.00 0.00 C ATOM 772 O GLY A 55 89.378 -6.847 15.491 1.00 0.00 O ATOM 0 H GLY A 55 91.191 -8.317 11.989 1.00 0.00 H new ATOM 0 HA2 GLY A 55 90.158 -9.063 13.939 1.00 0.00 H new ATOM 0 HA3 GLY A 55 91.439 -8.377 14.918 1.00 0.00 H new ATOM 776 N THR A 56 89.704 -6.067 13.452 1.00 0.00 N ATOM 777 CA THR A 56 88.852 -4.848 13.711 1.00 0.00 C ATOM 778 C THR A 56 87.655 -4.800 12.762 1.00 0.00 C ATOM 779 O THR A 56 87.696 -5.304 11.664 1.00 0.00 O ATOM 780 CB THR A 56 89.695 -3.582 13.515 1.00 0.00 C ATOM 781 OG1 THR A 56 90.457 -3.703 12.323 1.00 0.00 O ATOM 782 CG2 THR A 56 90.631 -3.381 14.707 1.00 0.00 C ATOM 0 H THR A 56 90.105 -6.120 12.516 1.00 0.00 H new ATOM 0 HA THR A 56 88.484 -4.903 14.735 1.00 0.00 H new ATOM 0 HB THR A 56 89.032 -2.720 13.440 1.00 0.00 H new ATOM 0 HG1 THR A 56 91.292 -3.198 12.416 1.00 0.00 H new ATOM 0 HG21 THR A 56 91.224 -2.479 14.556 1.00 0.00 H new ATOM 0 HG22 THR A 56 90.042 -3.280 15.619 1.00 0.00 H new ATOM 0 HG23 THR A 56 91.295 -4.241 14.797 1.00 0.00 H new ATOM 790 N THR A 57 86.588 -4.170 13.197 1.00 0.00 N ATOM 791 CA THR A 57 85.361 -4.047 12.345 1.00 0.00 C ATOM 792 C THR A 57 84.881 -2.594 12.347 1.00 0.00 C ATOM 793 O THR A 57 84.905 -1.920 13.358 1.00 0.00 O ATOM 794 CB THR A 57 84.241 -4.935 12.906 1.00 0.00 C ATOM 795 OG1 THR A 57 84.039 -4.629 14.279 1.00 0.00 O ATOM 796 CG2 THR A 57 84.636 -6.406 12.764 1.00 0.00 C ATOM 0 H THR A 57 86.515 -3.732 14.115 1.00 0.00 H new ATOM 0 HA THR A 57 85.605 -4.361 11.330 1.00 0.00 H new ATOM 0 HB THR A 57 83.320 -4.752 12.353 1.00 0.00 H new ATOM 0 HG1 THR A 57 83.323 -5.194 14.638 1.00 0.00 H new ATOM 0 HG21 THR A 57 83.841 -7.036 13.162 1.00 0.00 H new ATOM 0 HG22 THR A 57 84.792 -6.641 11.711 1.00 0.00 H new ATOM 0 HG23 THR A 57 85.557 -6.591 13.317 1.00 0.00 H new ATOM 804 N SER A 58 84.421 -2.127 11.218 1.00 0.00 N ATOM 805 CA SER A 58 83.892 -0.732 11.106 1.00 0.00 C ATOM 806 C SER A 58 82.423 -0.841 10.715 1.00 0.00 C ATOM 807 O SER A 58 82.065 -1.694 9.934 1.00 0.00 O ATOM 808 CB SER A 58 84.663 0.028 10.021 1.00 0.00 C ATOM 809 OG SER A 58 84.089 1.318 9.854 1.00 0.00 O ATOM 0 H SER A 58 84.388 -2.662 10.350 1.00 0.00 H new ATOM 0 HA SER A 58 84.006 -0.194 12.047 1.00 0.00 H new ATOM 0 HB2 SER A 58 85.713 0.118 10.300 1.00 0.00 H new ATOM 0 HB3 SER A 58 84.629 -0.523 9.081 1.00 0.00 H new ATOM 0 HG SER A 58 84.289 1.651 8.954 1.00 0.00 H new ATOM 815 N ASN A 59 81.565 -0.003 11.243 1.00 0.00 N ATOM 816 CA ASN A 59 80.111 -0.087 10.881 1.00 0.00 C ATOM 817 C ASN A 59 79.595 1.306 10.541 1.00 0.00 C ATOM 818 O ASN A 59 79.568 2.185 11.379 1.00 0.00 O ATOM 819 CB ASN A 59 79.324 -0.649 12.070 1.00 0.00 C ATOM 820 CG ASN A 59 79.497 0.266 13.285 1.00 0.00 C ATOM 821 OD1 ASN A 59 78.716 1.175 13.496 1.00 0.00 O ATOM 822 ND2 ASN A 59 80.494 0.060 14.099 1.00 0.00 N ATOM 0 H ASN A 59 81.805 0.734 11.907 1.00 0.00 H new ATOM 0 HA ASN A 59 79.984 -0.742 10.019 1.00 0.00 H new ATOM 0 HB2 ASN A 59 78.268 -0.731 11.813 1.00 0.00 H new ATOM 0 HB3 ASN A 59 79.674 -1.654 12.307 1.00 0.00 H new ATOM 0 HD21 ASN A 59 80.620 0.661 14.914 1.00 0.00 H new ATOM 0 HD22 ASN A 59 81.148 -0.702 13.921 1.00 0.00 H new ATOM 829 N PHE A 60 79.174 1.509 9.314 1.00 0.00 N ATOM 830 CA PHE A 60 78.643 2.844 8.896 1.00 0.00 C ATOM 831 C PHE A 60 77.169 2.688 8.515 1.00 0.00 C ATOM 832 O PHE A 60 76.829 1.922 7.636 1.00 0.00 O ATOM 833 CB PHE A 60 79.441 3.339 7.682 1.00 0.00 C ATOM 834 CG PHE A 60 79.127 2.463 6.492 1.00 0.00 C ATOM 835 CD1 PHE A 60 79.807 1.251 6.314 1.00 0.00 C ATOM 836 CD2 PHE A 60 78.136 2.851 5.583 1.00 0.00 C ATOM 837 CE1 PHE A 60 79.496 0.431 5.225 1.00 0.00 C ATOM 838 CE2 PHE A 60 77.824 2.029 4.495 1.00 0.00 C ATOM 839 CZ PHE A 60 78.504 0.819 4.315 1.00 0.00 C ATOM 0 H PHE A 60 79.176 0.801 8.580 1.00 0.00 H new ATOM 0 HA PHE A 60 78.738 3.563 9.710 1.00 0.00 H new ATOM 0 HB2 PHE A 60 79.187 4.376 7.463 1.00 0.00 H new ATOM 0 HB3 PHE A 60 80.509 3.311 7.898 1.00 0.00 H new ATOM 0 HD1 PHE A 60 80.570 0.951 7.017 1.00 0.00 H new ATOM 0 HD2 PHE A 60 77.612 3.785 5.722 1.00 0.00 H new ATOM 0 HE1 PHE A 60 80.021 -0.502 5.085 1.00 0.00 H new ATOM 0 HE2 PHE A 60 77.059 2.328 3.794 1.00 0.00 H new ATOM 0 HZ PHE A 60 78.264 0.184 3.475 1.00 0.00 H new ATOM 849 N LYS A 61 76.298 3.421 9.153 1.00 0.00 N ATOM 850 CA LYS A 61 74.850 3.351 8.827 1.00 0.00 C ATOM 851 C LYS A 61 74.435 4.716 8.285 1.00 0.00 C ATOM 852 O LYS A 61 74.917 5.738 8.729 1.00 0.00 O ATOM 853 CB LYS A 61 74.053 3.029 10.090 1.00 0.00 C ATOM 854 CG LYS A 61 72.596 2.745 9.721 1.00 0.00 C ATOM 855 CD LYS A 61 71.831 2.308 10.971 1.00 0.00 C ATOM 856 CE LYS A 61 70.345 2.159 10.635 1.00 0.00 C ATOM 857 NZ LYS A 61 69.658 1.401 11.719 1.00 0.00 N ATOM 0 H LYS A 61 76.535 4.076 9.898 1.00 0.00 H new ATOM 0 HA LYS A 61 74.657 2.572 8.090 1.00 0.00 H new ATOM 0 HB2 LYS A 61 74.486 2.165 10.594 1.00 0.00 H new ATOM 0 HB3 LYS A 61 74.105 3.865 10.788 1.00 0.00 H new ATOM 0 HG2 LYS A 61 72.137 3.637 9.294 1.00 0.00 H new ATOM 0 HG3 LYS A 61 72.547 1.966 8.960 1.00 0.00 H new ATOM 0 HD2 LYS A 61 72.228 1.362 11.341 1.00 0.00 H new ATOM 0 HD3 LYS A 61 71.963 3.042 11.766 1.00 0.00 H new ATOM 0 HE2 LYS A 61 69.888 3.142 10.520 1.00 0.00 H new ATOM 0 HE3 LYS A 61 70.228 1.639 9.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 68.649 1.302 11.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 70.087 0.458 11.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 69.758 1.914 12.618 1.00 0.00 H new ATOM 871 N GLY A 62 73.561 4.744 7.337 1.00 0.00 N ATOM 872 CA GLY A 62 73.123 6.052 6.764 1.00 0.00 C ATOM 873 C GLY A 62 71.904 5.844 5.865 1.00 0.00 C ATOM 874 O GLY A 62 71.443 4.734 5.682 1.00 0.00 O ATOM 0 H GLY A 62 73.122 3.920 6.925 1.00 0.00 H new ATOM 0 HA2 GLY A 62 72.879 6.747 7.567 1.00 0.00 H new ATOM 0 HA3 GLY A 62 73.936 6.499 6.192 1.00 0.00 H new ATOM 878 N VAL A 63 71.370 6.909 5.309 1.00 0.00 N ATOM 879 CA VAL A 63 70.164 6.789 4.423 1.00 0.00 C ATOM 880 C VAL A 63 70.515 7.235 3.000 1.00 0.00 C ATOM 881 O VAL A 63 71.063 8.298 2.790 1.00 0.00 O ATOM 882 CB VAL A 63 69.045 7.684 4.966 1.00 0.00 C ATOM 883 CG1 VAL A 63 67.801 7.537 4.081 1.00 0.00 C ATOM 884 CG2 VAL A 63 68.711 7.264 6.400 1.00 0.00 C ATOM 0 H VAL A 63 71.719 7.860 5.431 1.00 0.00 H new ATOM 0 HA VAL A 63 69.835 5.750 4.406 1.00 0.00 H new ATOM 0 HB VAL A 63 69.371 8.724 4.960 1.00 0.00 H new ATOM 0 HG11 VAL A 63 67.004 8.173 4.466 1.00 0.00 H new ATOM 0 HG12 VAL A 63 68.043 7.835 3.061 1.00 0.00 H new ATOM 0 HG13 VAL A 63 67.471 6.498 4.087 1.00 0.00 H new ATOM 0 HG21 VAL A 63 67.915 7.899 6.789 1.00 0.00 H new ATOM 0 HG22 VAL A 63 68.382 6.225 6.408 1.00 0.00 H new ATOM 0 HG23 VAL A 63 69.597 7.369 7.026 1.00 0.00 H new ATOM 894 N VAL A 64 70.206 6.426 2.017 1.00 0.00 N ATOM 895 CA VAL A 64 70.523 6.795 0.602 1.00 0.00 C ATOM 896 C VAL A 64 69.301 7.431 -0.056 1.00 0.00 C ATOM 897 O VAL A 64 68.304 6.776 -0.309 1.00 0.00 O ATOM 898 CB VAL A 64 70.904 5.535 -0.179 1.00 0.00 C ATOM 899 CG1 VAL A 64 71.309 5.904 -1.609 1.00 0.00 C ATOM 900 CG2 VAL A 64 72.078 4.848 0.516 1.00 0.00 C ATOM 0 H VAL A 64 69.746 5.523 2.134 1.00 0.00 H new ATOM 0 HA VAL A 64 71.351 7.504 0.597 1.00 0.00 H new ATOM 0 HB VAL A 64 70.046 4.863 -0.213 1.00 0.00 H new ATOM 0 HG11 VAL A 64 71.578 5.000 -2.156 1.00 0.00 H new ATOM 0 HG12 VAL A 64 70.474 6.395 -2.108 1.00 0.00 H new ATOM 0 HG13 VAL A 64 72.164 6.580 -1.582 1.00 0.00 H new ATOM 0 HG21 VAL A 64 72.353 3.950 -0.037 1.00 0.00 H new ATOM 0 HG22 VAL A 64 72.929 5.528 0.550 1.00 0.00 H new ATOM 0 HG23 VAL A 64 71.791 4.575 1.531 1.00 0.00 H new ATOM 910 N THR A 65 69.386 8.699 -0.352 1.00 0.00 N ATOM 911 CA THR A 65 68.260 9.413 -1.024 1.00 0.00 C ATOM 912 C THR A 65 68.859 10.298 -2.120 1.00 0.00 C ATOM 913 O THR A 65 69.983 10.741 -1.998 1.00 0.00 O ATOM 914 CB THR A 65 67.526 10.297 -0.006 1.00 0.00 C ATOM 915 OG1 THR A 65 68.471 10.890 0.875 1.00 0.00 O ATOM 916 CG2 THR A 65 66.534 9.453 0.789 1.00 0.00 C ATOM 0 H THR A 65 70.200 9.280 -0.154 1.00 0.00 H new ATOM 0 HA THR A 65 67.553 8.697 -1.445 1.00 0.00 H new ATOM 0 HB THR A 65 66.983 11.082 -0.532 1.00 0.00 H new ATOM 0 HG1 THR A 65 68.888 11.661 0.436 1.00 0.00 H new ATOM 0 HG21 THR A 65 66.015 10.084 1.510 1.00 0.00 H new ATOM 0 HG22 THR A 65 65.808 9.007 0.109 1.00 0.00 H new ATOM 0 HG23 THR A 65 67.069 8.663 1.317 1.00 0.00 H new ATOM 924 N PRO A 66 68.130 10.569 -3.175 1.00 0.00 N ATOM 925 CA PRO A 66 68.635 11.437 -4.272 1.00 0.00 C ATOM 926 C PRO A 66 69.409 12.655 -3.741 1.00 0.00 C ATOM 927 O PRO A 66 70.113 13.317 -4.475 1.00 0.00 O ATOM 928 CB PRO A 66 67.358 11.875 -4.998 1.00 0.00 C ATOM 929 CG PRO A 66 66.377 10.760 -4.779 1.00 0.00 C ATOM 930 CD PRO A 66 66.763 10.081 -3.451 1.00 0.00 C ATOM 0 HA PRO A 66 69.342 10.915 -4.916 1.00 0.00 H new ATOM 0 HB2 PRO A 66 66.980 12.816 -4.597 1.00 0.00 H new ATOM 0 HB3 PRO A 66 67.544 12.033 -6.060 1.00 0.00 H new ATOM 0 HG2 PRO A 66 65.358 11.145 -4.734 1.00 0.00 H new ATOM 0 HG3 PRO A 66 66.413 10.047 -5.602 1.00 0.00 H new ATOM 0 HD2 PRO A 66 66.075 10.353 -2.651 1.00 0.00 H new ATOM 0 HD3 PRO A 66 66.738 8.995 -3.538 1.00 0.00 H new ATOM 938 N SER A 67 69.284 12.961 -2.474 1.00 0.00 N ATOM 939 CA SER A 67 70.016 14.136 -1.924 1.00 0.00 C ATOM 940 C SER A 67 71.527 13.928 -2.074 1.00 0.00 C ATOM 941 O SER A 67 72.220 14.758 -2.628 1.00 0.00 O ATOM 942 CB SER A 67 69.674 14.306 -0.440 1.00 0.00 C ATOM 943 OG SER A 67 69.998 13.110 0.258 1.00 0.00 O ATOM 0 H SER A 67 68.710 12.450 -1.803 1.00 0.00 H new ATOM 0 HA SER A 67 69.718 15.029 -2.474 1.00 0.00 H new ATOM 0 HB2 SER A 67 70.228 15.146 -0.021 1.00 0.00 H new ATOM 0 HB3 SER A 67 68.614 14.533 -0.323 1.00 0.00 H new ATOM 0 HG SER A 67 69.781 13.217 1.208 1.00 0.00 H new ATOM 949 N THR A 68 72.052 12.834 -1.584 1.00 0.00 N ATOM 950 CA THR A 68 73.522 12.598 -1.703 1.00 0.00 C ATOM 951 C THR A 68 73.828 11.093 -1.585 1.00 0.00 C ATOM 952 O THR A 68 73.148 10.383 -0.871 1.00 0.00 O ATOM 953 CB THR A 68 74.234 13.350 -0.574 1.00 0.00 C ATOM 954 OG1 THR A 68 75.524 12.790 -0.372 1.00 0.00 O ATOM 955 CG2 THR A 68 73.417 13.233 0.716 1.00 0.00 C ATOM 0 H THR A 68 71.530 12.098 -1.109 1.00 0.00 H new ATOM 0 HA THR A 68 73.870 12.954 -2.673 1.00 0.00 H new ATOM 0 HB THR A 68 74.333 14.401 -0.845 1.00 0.00 H new ATOM 0 HG1 THR A 68 75.980 13.272 0.349 1.00 0.00 H new ATOM 0 HG21 THR A 68 73.925 13.768 1.518 1.00 0.00 H new ATOM 0 HG22 THR A 68 72.428 13.665 0.561 1.00 0.00 H new ATOM 0 HG23 THR A 68 73.316 12.182 0.988 1.00 0.00 H new ATOM 963 N PRO A 69 74.862 10.602 -2.243 1.00 0.00 N ATOM 964 CA PRO A 69 75.254 9.160 -2.153 1.00 0.00 C ATOM 965 C PRO A 69 76.103 8.886 -0.900 1.00 0.00 C ATOM 966 O PRO A 69 76.645 9.794 -0.304 1.00 0.00 O ATOM 967 CB PRO A 69 76.094 8.954 -3.413 1.00 0.00 C ATOM 968 CG PRO A 69 76.772 10.269 -3.617 1.00 0.00 C ATOM 969 CD PRO A 69 75.770 11.339 -3.150 1.00 0.00 C ATOM 0 HA PRO A 69 74.394 8.494 -2.081 1.00 0.00 H new ATOM 0 HB2 PRO A 69 76.817 8.149 -3.283 1.00 0.00 H new ATOM 0 HB3 PRO A 69 75.472 8.689 -4.268 1.00 0.00 H new ATOM 0 HG2 PRO A 69 77.697 10.324 -3.044 1.00 0.00 H new ATOM 0 HG3 PRO A 69 77.037 10.413 -4.664 1.00 0.00 H new ATOM 0 HD2 PRO A 69 76.271 12.158 -2.635 1.00 0.00 H new ATOM 0 HD3 PRO A 69 75.229 11.774 -3.990 1.00 0.00 H new ATOM 977 N VAL A 70 76.237 7.640 -0.517 1.00 0.00 N ATOM 978 CA VAL A 70 77.067 7.282 0.682 1.00 0.00 C ATOM 979 C VAL A 70 78.313 6.531 0.205 1.00 0.00 C ATOM 980 O VAL A 70 78.230 5.629 -0.604 1.00 0.00 O ATOM 981 CB VAL A 70 76.253 6.393 1.625 1.00 0.00 C ATOM 982 CG1 VAL A 70 77.110 5.996 2.831 1.00 0.00 C ATOM 983 CG2 VAL A 70 75.021 7.161 2.119 1.00 0.00 C ATOM 0 H VAL A 70 75.803 6.845 -0.987 1.00 0.00 H new ATOM 0 HA VAL A 70 77.361 8.185 1.217 1.00 0.00 H new ATOM 0 HB VAL A 70 75.940 5.498 1.088 1.00 0.00 H new ATOM 0 HG11 VAL A 70 76.526 5.363 3.500 1.00 0.00 H new ATOM 0 HG12 VAL A 70 77.989 5.449 2.489 1.00 0.00 H new ATOM 0 HG13 VAL A 70 77.426 6.893 3.364 1.00 0.00 H new ATOM 0 HG21 VAL A 70 74.442 6.527 2.790 1.00 0.00 H new ATOM 0 HG22 VAL A 70 75.340 8.057 2.651 1.00 0.00 H new ATOM 0 HG23 VAL A 70 74.404 7.446 1.267 1.00 0.00 H new ATOM 993 N ASN A 71 79.470 6.928 0.669 1.00 0.00 N ATOM 994 CA ASN A 71 80.740 6.276 0.218 1.00 0.00 C ATOM 995 C ASN A 71 81.259 5.271 1.253 1.00 0.00 C ATOM 996 O ASN A 71 81.270 5.531 2.437 1.00 0.00 O ATOM 997 CB ASN A 71 81.789 7.371 0.036 1.00 0.00 C ATOM 998 CG ASN A 71 81.817 8.252 1.288 1.00 0.00 C ATOM 999 OD1 ASN A 71 81.358 7.855 2.340 1.00 0.00 O ATOM 1000 ND2 ASN A 71 82.329 9.447 1.218 1.00 0.00 N ATOM 0 H ASN A 71 79.592 7.681 1.346 1.00 0.00 H new ATOM 0 HA ASN A 71 80.548 5.738 -0.710 1.00 0.00 H new ATOM 0 HB2 ASN A 71 82.770 6.927 -0.133 1.00 0.00 H new ATOM 0 HB3 ASN A 71 81.556 7.973 -0.842 1.00 0.00 H new ATOM 0 HD21 ASN A 71 82.343 10.045 2.044 1.00 0.00 H new ATOM 0 HD22 ASN A 71 82.716 9.785 0.337 1.00 0.00 H new ATOM 1007 N THR A 72 81.729 4.134 0.811 1.00 0.00 N ATOM 1008 CA THR A 72 82.295 3.124 1.755 1.00 0.00 C ATOM 1009 C THR A 72 83.813 3.249 1.709 1.00 0.00 C ATOM 1010 O THR A 72 84.527 2.511 2.355 1.00 0.00 O ATOM 1011 CB THR A 72 81.899 1.715 1.305 1.00 0.00 C ATOM 1012 OG1 THR A 72 82.902 0.795 1.715 1.00 0.00 O ATOM 1013 CG2 THR A 72 81.759 1.682 -0.221 1.00 0.00 C ATOM 0 H THR A 72 81.745 3.859 -0.171 1.00 0.00 H new ATOM 0 HA THR A 72 81.917 3.295 2.763 1.00 0.00 H new ATOM 0 HB THR A 72 80.946 1.440 1.756 1.00 0.00 H new ATOM 0 HG1 THR A 72 82.509 0.129 2.316 1.00 0.00 H new ATOM 0 HG21 THR A 72 81.477 0.678 -0.539 1.00 0.00 H new ATOM 0 HG22 THR A 72 80.991 2.390 -0.531 1.00 0.00 H new ATOM 0 HG23 THR A 72 82.710 1.954 -0.680 1.00 0.00 H new ATOM 1021 N ASN A 73 84.312 4.181 0.931 1.00 0.00 N ATOM 1022 CA ASN A 73 85.786 4.358 0.827 1.00 0.00 C ATOM 1023 C ASN A 73 86.331 4.853 2.163 1.00 0.00 C ATOM 1024 O ASN A 73 87.032 5.843 2.238 1.00 0.00 O ATOM 1025 CB ASN A 73 86.122 5.376 -0.265 1.00 0.00 C ATOM 1026 CG ASN A 73 87.635 5.586 -0.290 1.00 0.00 C ATOM 1027 OD1 ASN A 73 88.391 4.837 0.467 1.00 0.00 O flip ATOM 1028 ND2 ASN A 73 88.134 6.440 -0.997 1.00 0.00 N flip ATOM 0 H ASN A 73 83.758 4.824 0.366 1.00 0.00 H new ATOM 0 HA ASN A 73 86.241 3.401 0.572 1.00 0.00 H new ATOM 0 HB2 ASN A 73 85.774 5.019 -1.234 1.00 0.00 H new ATOM 0 HB3 ASN A 73 85.613 6.320 -0.071 1.00 0.00 H new ATOM 0 HD21 ASN A 73 87.541 7.024 -1.587 1.00 0.00 H new ATOM 0 HD22 ASN A 73 89.145 6.573 -1.000 1.00 0.00 H new ATOM 1035 N GLN A 74 86.018 4.166 3.214 1.00 0.00 N ATOM 1036 CA GLN A 74 86.522 4.587 4.550 1.00 0.00 C ATOM 1037 C GLN A 74 88.043 4.468 4.586 1.00 0.00 C ATOM 1038 O GLN A 74 88.754 5.395 4.259 1.00 0.00 O ATOM 1039 CB GLN A 74 85.934 3.672 5.621 1.00 0.00 C ATOM 1040 CG GLN A 74 84.439 3.952 5.776 1.00 0.00 C ATOM 1041 CD GLN A 74 83.862 3.009 6.833 1.00 0.00 C ATOM 1042 OE1 GLN A 74 84.491 2.758 7.843 1.00 0.00 O ATOM 1043 NE2 GLN A 74 82.689 2.468 6.644 1.00 0.00 N ATOM 0 H GLN A 74 85.435 3.329 3.212 1.00 0.00 H new ATOM 0 HA GLN A 74 86.228 5.620 4.735 1.00 0.00 H new ATOM 0 HB2 GLN A 74 86.092 2.629 5.348 1.00 0.00 H new ATOM 0 HB3 GLN A 74 86.444 3.833 6.571 1.00 0.00 H new ATOM 0 HG2 GLN A 74 84.279 4.989 6.070 1.00 0.00 H new ATOM 0 HG3 GLN A 74 83.928 3.808 4.824 1.00 0.00 H new ATOM 0 HE21 GLN A 74 82.161 2.678 5.797 1.00 0.00 H new ATOM 0 HE22 GLN A 74 82.301 1.835 7.343 1.00 0.00 H new ATOM 1052 N ASP A 75 88.546 3.326 4.989 1.00 0.00 N ATOM 1053 CA ASP A 75 90.026 3.124 5.065 1.00 0.00 C ATOM 1054 C ASP A 75 90.474 2.106 4.010 1.00 0.00 C ATOM 1055 O ASP A 75 90.799 0.975 4.316 1.00 0.00 O ATOM 1056 CB ASP A 75 90.381 2.613 6.462 1.00 0.00 C ATOM 1057 CG ASP A 75 90.123 3.722 7.485 1.00 0.00 C ATOM 1058 OD1 ASP A 75 90.201 4.881 7.107 1.00 0.00 O ATOM 1059 OD2 ASP A 75 89.849 3.393 8.630 1.00 0.00 O ATOM 0 H ASP A 75 87.989 2.519 5.271 1.00 0.00 H new ATOM 0 HA ASP A 75 90.535 4.069 4.874 1.00 0.00 H new ATOM 0 HB2 ASP A 75 89.784 1.734 6.703 1.00 0.00 H new ATOM 0 HB3 ASP A 75 91.427 2.307 6.495 1.00 0.00 H new ATOM 1064 N ILE A 76 90.509 2.518 2.772 1.00 0.00 N ATOM 1065 CA ILE A 76 90.954 1.615 1.673 1.00 0.00 C ATOM 1066 C ILE A 76 92.386 1.184 1.953 1.00 0.00 C ATOM 1067 O ILE A 76 92.772 0.053 1.732 1.00 0.00 O ATOM 1068 CB ILE A 76 90.880 2.391 0.346 1.00 0.00 C ATOM 1069 CG1 ILE A 76 90.973 1.436 -0.856 1.00 0.00 C ATOM 1070 CG2 ILE A 76 92.030 3.402 0.256 1.00 0.00 C ATOM 1071 CD1 ILE A 76 89.726 0.544 -0.951 1.00 0.00 C ATOM 0 H ILE A 76 90.244 3.456 2.472 1.00 0.00 H new ATOM 0 HA ILE A 76 90.319 0.732 1.610 1.00 0.00 H new ATOM 0 HB ILE A 76 89.922 2.911 0.321 1.00 0.00 H new ATOM 0 HG12 ILE A 76 91.083 2.012 -1.775 1.00 0.00 H new ATOM 0 HG13 ILE A 76 91.863 0.814 -0.762 1.00 0.00 H new ATOM 0 HG21 ILE A 76 91.965 3.944 -0.688 1.00 0.00 H new ATOM 0 HG22 ILE A 76 91.960 4.107 1.085 1.00 0.00 H new ATOM 0 HG23 ILE A 76 92.983 2.875 0.307 1.00 0.00 H new ATOM 0 HD11 ILE A 76 89.819 -0.121 -1.810 1.00 0.00 H new ATOM 0 HD12 ILE A 76 89.633 -0.049 -0.041 1.00 0.00 H new ATOM 0 HD13 ILE A 76 88.840 1.168 -1.070 1.00 0.00 H new ATOM 1083 N ASN A 77 93.173 2.088 2.444 1.00 0.00 N ATOM 1084 CA ASN A 77 94.583 1.743 2.748 1.00 0.00 C ATOM 1085 C ASN A 77 94.583 0.580 3.736 1.00 0.00 C ATOM 1086 O ASN A 77 95.354 -0.348 3.616 1.00 0.00 O ATOM 1087 CB ASN A 77 95.289 2.948 3.367 1.00 0.00 C ATOM 1088 CG ASN A 77 96.724 2.562 3.711 1.00 0.00 C ATOM 1089 OD1 ASN A 77 96.950 1.720 4.555 1.00 0.00 O ATOM 1090 ND2 ASN A 77 97.709 3.144 3.088 1.00 0.00 N ATOM 0 H ASN A 77 92.904 3.050 2.649 1.00 0.00 H new ATOM 0 HA ASN A 77 95.109 1.464 1.835 1.00 0.00 H new ATOM 0 HB2 ASN A 77 95.282 3.787 2.671 1.00 0.00 H new ATOM 0 HB3 ASN A 77 94.762 3.273 4.264 1.00 0.00 H new ATOM 0 HD21 ASN A 77 98.672 2.892 3.309 1.00 0.00 H new ATOM 0 HD22 ASN A 77 97.517 3.852 2.379 1.00 0.00 H new ATOM 1097 N LYS A 78 93.707 0.614 4.701 1.00 0.00 N ATOM 1098 CA LYS A 78 93.628 -0.503 5.683 1.00 0.00 C ATOM 1099 C LYS A 78 93.123 -1.758 4.973 1.00 0.00 C ATOM 1100 O LYS A 78 93.623 -2.846 5.181 1.00 0.00 O ATOM 1101 CB LYS A 78 92.638 -0.119 6.782 1.00 0.00 C ATOM 1102 CG LYS A 78 92.580 -1.205 7.859 1.00 0.00 C ATOM 1103 CD LYS A 78 91.393 -0.924 8.778 1.00 0.00 C ATOM 1104 CE LYS A 78 91.488 -1.808 10.022 1.00 0.00 C ATOM 1105 NZ LYS A 78 91.972 -3.164 9.635 1.00 0.00 N ATOM 0 H LYS A 78 93.040 1.370 4.852 1.00 0.00 H new ATOM 0 HA LYS A 78 94.611 -0.694 6.113 1.00 0.00 H new ATOM 0 HB2 LYS A 78 92.934 0.830 7.230 1.00 0.00 H new ATOM 0 HB3 LYS A 78 91.647 0.027 6.352 1.00 0.00 H new ATOM 0 HG2 LYS A 78 92.477 -2.188 7.399 1.00 0.00 H new ATOM 0 HG3 LYS A 78 93.507 -1.218 8.433 1.00 0.00 H new ATOM 0 HD2 LYS A 78 91.384 0.127 9.066 1.00 0.00 H new ATOM 0 HD3 LYS A 78 90.458 -1.118 8.252 1.00 0.00 H new ATOM 0 HE2 LYS A 78 92.168 -1.361 10.747 1.00 0.00 H new ATOM 0 HE3 LYS A 78 90.513 -1.882 10.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 91.678 -3.856 10.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 91.566 -3.428 8.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 93.010 -3.156 9.566 1.00 0.00 H new ATOM 1119 N THR A 79 92.125 -1.622 4.140 1.00 0.00 N ATOM 1120 CA THR A 79 91.591 -2.818 3.437 1.00 0.00 C ATOM 1121 C THR A 79 92.645 -3.344 2.449 1.00 0.00 C ATOM 1122 O THR A 79 92.847 -4.529 2.332 1.00 0.00 O ATOM 1123 CB THR A 79 90.256 -2.447 2.748 1.00 0.00 C ATOM 1124 OG1 THR A 79 89.220 -3.231 3.318 1.00 0.00 O ATOM 1125 CG2 THR A 79 90.287 -2.688 1.230 1.00 0.00 C ATOM 0 H THR A 79 91.662 -0.741 3.919 1.00 0.00 H new ATOM 0 HA THR A 79 91.382 -3.623 4.142 1.00 0.00 H new ATOM 0 HB THR A 79 90.085 -1.382 2.906 1.00 0.00 H new ATOM 0 HG1 THR A 79 89.148 -3.032 4.275 1.00 0.00 H new ATOM 0 HG21 THR A 79 89.325 -2.411 0.798 1.00 0.00 H new ATOM 0 HG22 THR A 79 91.074 -2.082 0.781 1.00 0.00 H new ATOM 0 HG23 THR A 79 90.483 -3.742 1.033 1.00 0.00 H new ATOM 1133 N ASN A 80 93.329 -2.488 1.752 1.00 0.00 N ATOM 1134 CA ASN A 80 94.363 -2.989 0.803 1.00 0.00 C ATOM 1135 C ASN A 80 95.499 -3.637 1.595 1.00 0.00 C ATOM 1136 O ASN A 80 96.197 -4.498 1.095 1.00 0.00 O ATOM 1137 CB ASN A 80 94.911 -1.839 -0.048 1.00 0.00 C ATOM 1138 CG ASN A 80 93.850 -1.378 -1.050 1.00 0.00 C ATOM 1139 OD1 ASN A 80 92.974 -2.135 -1.422 1.00 0.00 O ATOM 1140 ND2 ASN A 80 93.895 -0.157 -1.509 1.00 0.00 N ATOM 0 H ASN A 80 93.222 -1.474 1.794 1.00 0.00 H new ATOM 0 HA ASN A 80 93.911 -3.725 0.138 1.00 0.00 H new ATOM 0 HB2 ASN A 80 95.203 -1.008 0.594 1.00 0.00 H new ATOM 0 HB3 ASN A 80 95.807 -2.162 -0.578 1.00 0.00 H new ATOM 0 HD21 ASN A 80 93.196 0.162 -2.179 1.00 0.00 H new ATOM 0 HD22 ASN A 80 94.630 0.478 -1.197 1.00 0.00 H new ATOM 1147 N LYS A 81 95.700 -3.241 2.817 1.00 0.00 N ATOM 1148 CA LYS A 81 96.798 -3.848 3.614 1.00 0.00 C ATOM 1149 C LYS A 81 96.476 -5.316 3.938 1.00 0.00 C ATOM 1150 O LYS A 81 97.320 -6.182 3.807 1.00 0.00 O ATOM 1151 CB LYS A 81 96.950 -3.062 4.920 1.00 0.00 C ATOM 1152 CG LYS A 81 98.100 -3.634 5.753 1.00 0.00 C ATOM 1153 CD LYS A 81 98.185 -2.874 7.072 1.00 0.00 C ATOM 1154 CE LYS A 81 99.437 -3.321 7.825 1.00 0.00 C ATOM 1155 NZ LYS A 81 99.627 -2.469 9.032 1.00 0.00 N ATOM 0 H LYS A 81 95.154 -2.526 3.298 1.00 0.00 H new ATOM 0 HA LYS A 81 97.724 -3.812 3.039 1.00 0.00 H new ATOM 0 HB2 LYS A 81 97.139 -2.011 4.700 1.00 0.00 H new ATOM 0 HB3 LYS A 81 96.022 -3.107 5.490 1.00 0.00 H new ATOM 0 HG2 LYS A 81 97.937 -4.695 5.940 1.00 0.00 H new ATOM 0 HG3 LYS A 81 99.040 -3.547 5.207 1.00 0.00 H new ATOM 0 HD2 LYS A 81 98.221 -1.801 6.886 1.00 0.00 H new ATOM 0 HD3 LYS A 81 97.296 -3.064 7.674 1.00 0.00 H new ATOM 0 HE2 LYS A 81 99.343 -4.367 8.117 1.00 0.00 H new ATOM 0 HE3 LYS A 81 100.309 -3.248 7.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 100.480 -2.775 9.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 99.735 -1.476 8.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 98.799 -2.560 9.655 1.00 0.00 H new ATOM 1169 N VAL A 82 95.276 -5.594 4.404 1.00 0.00 N ATOM 1170 CA VAL A 82 94.911 -6.999 4.789 1.00 0.00 C ATOM 1171 C VAL A 82 93.701 -7.511 3.989 1.00 0.00 C ATOM 1172 O VAL A 82 93.466 -8.703 3.905 1.00 0.00 O ATOM 1173 CB VAL A 82 94.593 -7.007 6.288 1.00 0.00 C ATOM 1174 CG1 VAL A 82 95.640 -6.171 7.022 1.00 0.00 C ATOM 1175 CG2 VAL A 82 93.207 -6.401 6.548 1.00 0.00 C ATOM 0 H VAL A 82 94.534 -4.907 4.534 1.00 0.00 H new ATOM 0 HA VAL A 82 95.746 -7.663 4.565 1.00 0.00 H new ATOM 0 HB VAL A 82 94.604 -8.037 6.645 1.00 0.00 H new ATOM 0 HG11 VAL A 82 95.422 -6.171 8.090 1.00 0.00 H new ATOM 0 HG12 VAL A 82 96.629 -6.597 6.854 1.00 0.00 H new ATOM 0 HG13 VAL A 82 95.617 -5.148 6.647 1.00 0.00 H new ATOM 0 HG21 VAL A 82 92.999 -6.415 7.618 1.00 0.00 H new ATOM 0 HG22 VAL A 82 93.186 -5.372 6.188 1.00 0.00 H new ATOM 0 HG23 VAL A 82 92.451 -6.984 6.023 1.00 0.00 H new ATOM 1185 N GLY A 83 92.929 -6.636 3.402 1.00 0.00 N ATOM 1186 CA GLY A 83 91.751 -7.086 2.618 1.00 0.00 C ATOM 1187 C GLY A 83 90.553 -7.261 3.544 1.00 0.00 C ATOM 1188 O GLY A 83 90.666 -7.209 4.753 1.00 0.00 O ATOM 0 H GLY A 83 93.067 -5.626 3.434 1.00 0.00 H new ATOM 0 HA2 GLY A 83 91.519 -6.357 1.841 1.00 0.00 H new ATOM 0 HA3 GLY A 83 91.975 -8.027 2.115 1.00 0.00 H new ATOM 1192 N VAL A 84 89.405 -7.464 2.968 1.00 0.00 N ATOM 1193 CA VAL A 84 88.153 -7.646 3.771 1.00 0.00 C ATOM 1194 C VAL A 84 87.719 -9.119 3.690 1.00 0.00 C ATOM 1195 O VAL A 84 87.586 -9.674 2.616 1.00 0.00 O ATOM 1196 CB VAL A 84 87.053 -6.761 3.171 1.00 0.00 C ATOM 1197 CG1 VAL A 84 85.773 -6.853 4.015 1.00 0.00 C ATOM 1198 CG2 VAL A 84 87.535 -5.308 3.128 1.00 0.00 C ATOM 0 H VAL A 84 89.272 -7.513 1.958 1.00 0.00 H new ATOM 0 HA VAL A 84 88.327 -7.370 4.811 1.00 0.00 H new ATOM 0 HB VAL A 84 86.833 -7.106 2.161 1.00 0.00 H new ATOM 0 HG11 VAL A 84 85.002 -6.220 3.577 1.00 0.00 H new ATOM 0 HG12 VAL A 84 85.425 -7.886 4.037 1.00 0.00 H new ATOM 0 HG13 VAL A 84 85.982 -6.519 5.031 1.00 0.00 H new ATOM 0 HG21 VAL A 84 86.754 -4.678 2.702 1.00 0.00 H new ATOM 0 HG22 VAL A 84 87.762 -4.970 4.139 1.00 0.00 H new ATOM 0 HG23 VAL A 84 88.432 -5.240 2.513 1.00 0.00 H new ATOM 1208 N GLN A 85 87.502 -9.759 4.811 1.00 0.00 N ATOM 1209 CA GLN A 85 87.092 -11.196 4.781 1.00 0.00 C ATOM 1210 C GLN A 85 85.589 -11.338 4.491 1.00 0.00 C ATOM 1211 O GLN A 85 85.202 -11.868 3.468 1.00 0.00 O ATOM 1212 CB GLN A 85 87.400 -11.845 6.131 1.00 0.00 C ATOM 1213 CG GLN A 85 87.108 -13.342 6.044 1.00 0.00 C ATOM 1214 CD GLN A 85 87.513 -14.018 7.352 1.00 0.00 C ATOM 1215 OE1 GLN A 85 87.437 -13.423 8.410 1.00 0.00 O ATOM 1216 NE2 GLN A 85 87.942 -15.248 7.325 1.00 0.00 N ATOM 0 H GLN A 85 87.590 -9.351 5.742 1.00 0.00 H new ATOM 0 HA GLN A 85 87.650 -11.691 3.986 1.00 0.00 H new ATOM 0 HB2 GLN A 85 88.444 -11.680 6.398 1.00 0.00 H new ATOM 0 HB3 GLN A 85 86.795 -11.389 6.914 1.00 0.00 H new ATOM 0 HG2 GLN A 85 86.048 -13.506 5.851 1.00 0.00 H new ATOM 0 HG3 GLN A 85 87.655 -13.782 5.210 1.00 0.00 H new ATOM 0 HE21 GLN A 85 88.006 -15.747 6.437 1.00 0.00 H new ATOM 0 HE22 GLN A 85 88.214 -15.712 8.191 1.00 0.00 H new ATOM 1225 N LYS A 86 84.738 -10.903 5.398 1.00 0.00 N ATOM 1226 CA LYS A 86 83.253 -11.047 5.194 1.00 0.00 C ATOM 1227 C LYS A 86 82.582 -9.673 5.064 1.00 0.00 C ATOM 1228 O LYS A 86 82.910 -8.737 5.764 1.00 0.00 O ATOM 1229 CB LYS A 86 82.651 -11.786 6.391 1.00 0.00 C ATOM 1230 CG LYS A 86 81.142 -11.950 6.182 1.00 0.00 C ATOM 1231 CD LYS A 86 80.564 -12.901 7.239 1.00 0.00 C ATOM 1232 CE LYS A 86 80.809 -12.340 8.641 1.00 0.00 C ATOM 1233 NZ LYS A 86 79.905 -13.019 9.611 1.00 0.00 N ATOM 0 H LYS A 86 85.008 -10.453 6.273 1.00 0.00 H new ATOM 0 HA LYS A 86 83.081 -11.607 4.275 1.00 0.00 H new ATOM 0 HB2 LYS A 86 83.122 -12.763 6.504 1.00 0.00 H new ATOM 0 HB3 LYS A 86 82.844 -11.231 7.309 1.00 0.00 H new ATOM 0 HG2 LYS A 86 80.650 -10.979 6.247 1.00 0.00 H new ATOM 0 HG3 LYS A 86 80.946 -12.341 5.184 1.00 0.00 H new ATOM 0 HD2 LYS A 86 79.495 -13.034 7.074 1.00 0.00 H new ATOM 0 HD3 LYS A 86 81.026 -13.884 7.146 1.00 0.00 H new ATOM 0 HE2 LYS A 86 81.849 -12.492 8.929 1.00 0.00 H new ATOM 0 HE3 LYS A 86 80.629 -11.265 8.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 80.070 -12.639 10.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 78.915 -12.852 9.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 80.097 -14.041 9.608 1.00 0.00 H new ATOM 1247 N TYR A 87 81.631 -9.564 4.168 1.00 0.00 N ATOM 1248 CA TYR A 87 80.888 -8.272 3.960 1.00 0.00 C ATOM 1249 C TYR A 87 79.393 -8.503 4.203 1.00 0.00 C ATOM 1250 O TYR A 87 78.836 -9.482 3.750 1.00 0.00 O ATOM 1251 CB TYR A 87 81.089 -7.788 2.520 1.00 0.00 C ATOM 1252 CG TYR A 87 80.253 -6.547 2.277 1.00 0.00 C ATOM 1253 CD1 TYR A 87 80.646 -5.321 2.829 1.00 0.00 C ATOM 1254 CD2 TYR A 87 79.088 -6.622 1.499 1.00 0.00 C ATOM 1255 CE1 TYR A 87 79.878 -4.172 2.601 1.00 0.00 C ATOM 1256 CE2 TYR A 87 78.321 -5.472 1.273 1.00 0.00 C ATOM 1257 CZ TYR A 87 78.714 -4.247 1.824 1.00 0.00 C ATOM 1258 OH TYR A 87 77.958 -3.113 1.601 1.00 0.00 O ATOM 0 H TYR A 87 81.331 -10.326 3.560 1.00 0.00 H new ATOM 0 HA TYR A 87 81.267 -7.523 4.655 1.00 0.00 H new ATOM 0 HB2 TYR A 87 82.142 -7.569 2.343 1.00 0.00 H new ATOM 0 HB3 TYR A 87 80.805 -8.573 1.819 1.00 0.00 H new ATOM 0 HD1 TYR A 87 81.541 -5.262 3.430 1.00 0.00 H new ATOM 0 HD2 TYR A 87 78.782 -7.567 1.074 1.00 0.00 H new ATOM 0 HE1 TYR A 87 80.183 -3.227 3.025 1.00 0.00 H new ATOM 0 HE2 TYR A 87 77.425 -5.531 0.673 1.00 0.00 H new ATOM 0 HH TYR A 87 78.406 -2.546 0.938 1.00 0.00 H new ATOM 1268 N ARG A 88 78.734 -7.609 4.907 1.00 0.00 N ATOM 1269 CA ARG A 88 77.266 -7.780 5.168 1.00 0.00 C ATOM 1270 C ARG A 88 76.532 -6.441 4.971 1.00 0.00 C ATOM 1271 O ARG A 88 76.856 -5.446 5.587 1.00 0.00 O ATOM 1272 CB ARG A 88 77.063 -8.266 6.607 1.00 0.00 C ATOM 1273 CG ARG A 88 77.693 -9.655 6.772 1.00 0.00 C ATOM 1274 CD ARG A 88 77.251 -10.270 8.103 1.00 0.00 C ATOM 1275 NE ARG A 88 77.604 -9.353 9.225 1.00 0.00 N ATOM 1276 CZ ARG A 88 77.111 -9.552 10.422 1.00 0.00 C ATOM 1277 NH1 ARG A 88 76.297 -10.549 10.644 1.00 0.00 N ATOM 1278 NH2 ARG A 88 77.436 -8.750 11.400 1.00 0.00 N ATOM 0 H ARG A 88 79.149 -6.770 5.311 1.00 0.00 H new ATOM 0 HA ARG A 88 76.861 -8.511 4.469 1.00 0.00 H new ATOM 0 HB2 ARG A 88 77.517 -7.564 7.307 1.00 0.00 H new ATOM 0 HB3 ARG A 88 75.999 -8.307 6.841 1.00 0.00 H new ATOM 0 HG2 ARG A 88 77.395 -10.300 5.946 1.00 0.00 H new ATOM 0 HG3 ARG A 88 78.780 -9.578 6.740 1.00 0.00 H new ATOM 0 HD2 ARG A 88 76.176 -10.449 8.092 1.00 0.00 H new ATOM 0 HD3 ARG A 88 77.734 -11.237 8.246 1.00 0.00 H new ATOM 0 HE ARG A 88 78.233 -8.567 9.059 1.00 0.00 H new ATOM 0 HH11 ARG A 88 76.042 -11.178 9.883 1.00 0.00 H new ATOM 0 HH12 ARG A 88 75.917 -10.698 11.579 1.00 0.00 H new ATOM 0 HH21 ARG A 88 78.072 -7.971 11.231 1.00 0.00 H new ATOM 0 HH22 ARG A 88 77.054 -8.903 12.333 1.00 0.00 H new ATOM 1292 N ALA A 89 75.533 -6.422 4.111 1.00 0.00 N ATOM 1293 CA ALA A 89 74.745 -5.162 3.856 1.00 0.00 C ATOM 1294 C ALA A 89 73.245 -5.412 4.083 1.00 0.00 C ATOM 1295 O ALA A 89 72.719 -6.447 3.728 1.00 0.00 O ATOM 1296 CB ALA A 89 74.966 -4.693 2.413 1.00 0.00 C ATOM 0 H ALA A 89 75.227 -7.231 3.570 1.00 0.00 H new ATOM 0 HA ALA A 89 75.088 -4.394 4.549 1.00 0.00 H new ATOM 0 HB1 ALA A 89 74.394 -3.782 2.235 1.00 0.00 H new ATOM 0 HB2 ALA A 89 76.026 -4.493 2.254 1.00 0.00 H new ATOM 0 HB3 ALA A 89 74.636 -5.470 1.723 1.00 0.00 H new ATOM 1302 N LEU A 90 72.555 -4.455 4.670 1.00 0.00 N ATOM 1303 CA LEU A 90 71.080 -4.598 4.928 1.00 0.00 C ATOM 1304 C LEU A 90 70.326 -3.504 4.183 1.00 0.00 C ATOM 1305 O LEU A 90 70.650 -2.339 4.283 1.00 0.00 O ATOM 1306 CB LEU A 90 70.812 -4.459 6.438 1.00 0.00 C ATOM 1307 CG LEU A 90 71.051 -5.815 7.129 1.00 0.00 C ATOM 1308 CD1 LEU A 90 71.522 -5.592 8.572 1.00 0.00 C ATOM 1309 CD2 LEU A 90 69.748 -6.625 7.144 1.00 0.00 C ATOM 0 H LEU A 90 72.956 -3.572 4.984 1.00 0.00 H new ATOM 0 HA LEU A 90 70.743 -5.575 4.582 1.00 0.00 H new ATOM 0 HB2 LEU A 90 71.467 -3.700 6.866 1.00 0.00 H new ATOM 0 HB3 LEU A 90 69.787 -4.128 6.607 1.00 0.00 H new ATOM 0 HG LEU A 90 71.817 -6.361 6.578 1.00 0.00 H new ATOM 0 HD11 LEU A 90 71.689 -6.556 9.053 1.00 0.00 H new ATOM 0 HD12 LEU A 90 72.452 -5.023 8.567 1.00 0.00 H new ATOM 0 HD13 LEU A 90 70.761 -5.039 9.122 1.00 0.00 H new ATOM 0 HD21 LEU A 90 69.921 -7.583 7.633 1.00 0.00 H new ATOM 0 HD22 LEU A 90 68.982 -6.072 7.689 1.00 0.00 H new ATOM 0 HD23 LEU A 90 69.414 -6.795 6.121 1.00 0.00 H new ATOM 1321 N THR A 91 69.314 -3.875 3.444 1.00 0.00 N ATOM 1322 CA THR A 91 68.512 -2.852 2.680 1.00 0.00 C ATOM 1323 C THR A 91 67.026 -2.991 3.008 1.00 0.00 C ATOM 1324 O THR A 91 66.406 -4.004 2.755 1.00 0.00 O ATOM 1325 CB THR A 91 68.714 -3.042 1.175 1.00 0.00 C ATOM 1326 OG1 THR A 91 68.476 -4.396 0.824 1.00 0.00 O ATOM 1327 CG2 THR A 91 70.138 -2.652 0.794 1.00 0.00 C ATOM 0 H THR A 91 69.002 -4.840 3.331 1.00 0.00 H new ATOM 0 HA THR A 91 68.855 -1.859 2.971 1.00 0.00 H new ATOM 0 HB THR A 91 68.012 -2.406 0.636 1.00 0.00 H new ATOM 0 HG1 THR A 91 67.715 -4.738 1.338 1.00 0.00 H new ATOM 0 HG21 THR A 91 70.278 -2.789 -0.278 1.00 0.00 H new ATOM 0 HG22 THR A 91 70.311 -1.607 1.052 1.00 0.00 H new ATOM 0 HG23 THR A 91 70.845 -3.281 1.335 1.00 0.00 H new ATOM 1335 N GLU A 92 66.470 -1.961 3.587 1.00 0.00 N ATOM 1336 CA GLU A 92 65.028 -1.976 3.978 1.00 0.00 C ATOM 1337 C GLU A 92 64.342 -0.684 3.517 1.00 0.00 C ATOM 1338 O GLU A 92 64.977 0.336 3.335 1.00 0.00 O ATOM 1339 CB GLU A 92 64.946 -2.089 5.497 1.00 0.00 C ATOM 1340 CG GLU A 92 63.498 -2.305 5.927 1.00 0.00 C ATOM 1341 CD GLU A 92 63.445 -2.465 7.446 1.00 0.00 C ATOM 1342 OE1 GLU A 92 64.503 -2.530 8.050 1.00 0.00 O ATOM 1343 OE2 GLU A 92 62.352 -2.524 7.981 1.00 0.00 O ATOM 0 H GLU A 92 66.961 -1.095 3.810 1.00 0.00 H new ATOM 0 HA GLU A 92 64.524 -2.821 3.508 1.00 0.00 H new ATOM 0 HB2 GLU A 92 65.564 -2.918 5.842 1.00 0.00 H new ATOM 0 HB3 GLU A 92 65.340 -1.184 5.959 1.00 0.00 H new ATOM 0 HG2 GLU A 92 62.884 -1.460 5.616 1.00 0.00 H new ATOM 0 HG3 GLU A 92 63.090 -3.191 5.441 1.00 0.00 H new ATOM 1350 N TRP A 93 63.046 -0.721 3.340 1.00 0.00 N ATOM 1351 CA TRP A 93 62.310 0.504 2.907 1.00 0.00 C ATOM 1352 C TRP A 93 62.279 1.512 4.059 1.00 0.00 C ATOM 1353 O TRP A 93 62.203 1.143 5.214 1.00 0.00 O ATOM 1354 CB TRP A 93 60.874 0.141 2.504 1.00 0.00 C ATOM 1355 CG TRP A 93 60.869 -0.544 1.169 1.00 0.00 C ATOM 1356 CD1 TRP A 93 60.419 -1.801 0.945 1.00 0.00 C ATOM 1357 CD2 TRP A 93 61.322 -0.038 -0.127 1.00 0.00 C ATOM 1358 NE1 TRP A 93 60.561 -2.097 -0.400 1.00 0.00 N ATOM 1359 CE2 TRP A 93 61.111 -1.046 -1.103 1.00 0.00 C ATOM 1360 CE3 TRP A 93 61.885 1.181 -0.553 1.00 0.00 C ATOM 1361 CZ2 TRP A 93 61.449 -0.853 -2.445 1.00 0.00 C ATOM 1362 CZ3 TRP A 93 62.226 1.377 -1.901 1.00 0.00 C ATOM 1363 CH2 TRP A 93 62.006 0.365 -2.845 1.00 0.00 C ATOM 0 H TRP A 93 62.465 -1.548 3.477 1.00 0.00 H new ATOM 0 HA TRP A 93 62.819 0.942 2.049 1.00 0.00 H new ATOM 0 HB2 TRP A 93 60.431 -0.510 3.257 1.00 0.00 H new ATOM 0 HB3 TRP A 93 60.262 1.042 2.461 1.00 0.00 H new ATOM 0 HD1 TRP A 93 60.015 -2.465 1.694 1.00 0.00 H new ATOM 0 HE1 TRP A 93 60.291 -2.986 -0.821 1.00 0.00 H new ATOM 0 HE3 TRP A 93 62.056 1.971 0.163 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 61.281 -1.638 -3.167 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 62.661 2.315 -2.213 1.00 0.00 H new ATOM 0 HH2 TRP A 93 62.267 0.526 -3.881 1.00 0.00 H new ATOM 1374 N VAL A 94 62.353 2.783 3.745 1.00 0.00 N ATOM 1375 CA VAL A 94 62.347 3.845 4.803 1.00 0.00 C ATOM 1376 C VAL A 94 61.142 4.774 4.585 1.00 0.00 C ATOM 1377 O VAL A 94 60.938 5.293 3.507 1.00 0.00 O ATOM 1378 CB VAL A 94 63.641 4.659 4.689 1.00 0.00 C ATOM 1379 CG1 VAL A 94 63.729 5.657 5.843 1.00 0.00 C ATOM 1380 CG2 VAL A 94 64.853 3.721 4.740 1.00 0.00 C ATOM 0 H VAL A 94 62.418 3.135 2.790 1.00 0.00 H new ATOM 0 HA VAL A 94 62.278 3.388 5.790 1.00 0.00 H new ATOM 0 HB VAL A 94 63.637 5.197 3.741 1.00 0.00 H new ATOM 0 HG11 VAL A 94 64.651 6.233 5.757 1.00 0.00 H new ATOM 0 HG12 VAL A 94 62.874 6.333 5.806 1.00 0.00 H new ATOM 0 HG13 VAL A 94 63.725 5.119 6.791 1.00 0.00 H new ATOM 0 HG21 VAL A 94 65.769 4.306 4.658 1.00 0.00 H new ATOM 0 HG22 VAL A 94 64.853 3.177 5.685 1.00 0.00 H new ATOM 0 HG23 VAL A 94 64.800 3.013 3.913 1.00 0.00 H new ATOM 1390 N GLY A 95 60.342 4.985 5.599 1.00 0.00 N ATOM 1391 CA GLY A 95 59.145 5.872 5.448 1.00 0.00 C ATOM 1392 C GLY A 95 57.916 5.005 5.171 1.00 0.00 C ATOM 1393 O GLY A 95 56.793 5.476 5.168 1.00 0.00 O ATOM 0 H GLY A 95 60.465 4.581 6.528 1.00 0.00 H new ATOM 0 HA2 GLY A 95 58.995 6.460 6.354 1.00 0.00 H new ATOM 0 HA3 GLY A 95 59.300 6.578 4.632 1.00 0.00 H new ATOM 1397 N SER A 96 58.124 3.738 4.944 1.00 0.00 N ATOM 1398 CA SER A 96 56.980 2.824 4.676 1.00 0.00 C ATOM 1399 C SER A 96 56.297 2.462 5.998 1.00 0.00 C ATOM 1400 O SER A 96 56.937 2.321 7.019 1.00 0.00 O ATOM 1401 CB SER A 96 57.496 1.546 4.014 1.00 0.00 C ATOM 1402 OG SER A 96 58.022 1.857 2.731 1.00 0.00 O ATOM 0 H SER A 96 59.042 3.295 4.933 1.00 0.00 H new ATOM 0 HA SER A 96 56.267 3.319 4.017 1.00 0.00 H new ATOM 0 HB2 SER A 96 58.267 1.088 4.634 1.00 0.00 H new ATOM 0 HB3 SER A 96 56.688 0.820 3.922 1.00 0.00 H new ATOM 0 HG SER A 96 58.057 1.043 2.186 1.00 0.00 H new ATOM 1408 N ARG A 97 54.999 2.308 5.984 1.00 0.00 N ATOM 1409 CA ARG A 97 54.273 1.950 7.238 1.00 0.00 C ATOM 1410 C ARG A 97 54.591 0.501 7.618 1.00 0.00 C ATOM 1411 O ARG A 97 54.845 -0.331 6.772 1.00 0.00 O ATOM 1412 CB ARG A 97 52.767 2.094 7.013 1.00 0.00 C ATOM 1413 CG ARG A 97 52.413 3.570 6.829 1.00 0.00 C ATOM 1414 CD ARG A 97 50.900 3.714 6.634 1.00 0.00 C ATOM 1415 NE ARG A 97 50.464 2.945 5.434 1.00 0.00 N ATOM 1416 CZ ARG A 97 49.210 2.964 5.072 1.00 0.00 C ATOM 1417 NH1 ARG A 97 48.343 3.654 5.764 1.00 0.00 N ATOM 1418 NH2 ARG A 97 48.818 2.294 4.024 1.00 0.00 N ATOM 0 H ARG A 97 54.410 2.415 5.158 1.00 0.00 H new ATOM 0 HA ARG A 97 54.589 2.615 8.041 1.00 0.00 H new ATOM 0 HB2 ARG A 97 52.465 1.525 6.134 1.00 0.00 H new ATOM 0 HB3 ARG A 97 52.222 1.682 7.862 1.00 0.00 H new ATOM 0 HG2 ARG A 97 52.734 4.143 7.699 1.00 0.00 H new ATOM 0 HG3 ARG A 97 52.942 3.977 5.967 1.00 0.00 H new ATOM 0 HD2 ARG A 97 50.375 3.352 7.518 1.00 0.00 H new ATOM 0 HD3 ARG A 97 50.639 4.766 6.517 1.00 0.00 H new ATOM 0 HE ARG A 97 51.143 2.406 4.897 1.00 0.00 H new ATOM 0 HH11 ARG A 97 48.646 4.177 6.586 1.00 0.00 H new ATOM 0 HH12 ARG A 97 47.363 3.670 5.483 1.00 0.00 H new ATOM 0 HH21 ARG A 97 49.492 1.752 3.484 1.00 0.00 H new ATOM 0 HH22 ARG A 97 47.837 2.312 3.745 1.00 0.00 H new ATOM 1432 N SER A 98 54.577 0.190 8.887 1.00 0.00 N ATOM 1433 CA SER A 98 54.881 -1.207 9.316 1.00 0.00 C ATOM 1434 C SER A 98 56.253 -1.612 8.774 1.00 0.00 C ATOM 1435 O SER A 98 56.990 -0.731 8.367 1.00 0.00 O ATOM 1436 CB SER A 98 53.815 -2.165 8.775 1.00 0.00 C ATOM 1437 OG SER A 98 52.525 -1.587 8.937 1.00 0.00 O ATOM 0 H SER A 98 54.369 0.841 9.644 1.00 0.00 H new ATOM 0 HA SER A 98 54.884 -1.257 10.405 1.00 0.00 H new ATOM 0 HB2 SER A 98 54.001 -2.374 7.721 1.00 0.00 H new ATOM 0 HB3 SER A 98 53.866 -3.117 9.303 1.00 0.00 H new ATOM 0 HG SER A 98 51.845 -2.201 8.589 1.00 0.00 H new TER 1443 SER A 98