USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 814 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 19 HIS :FLIP no HE2:sc= -9.7! C(o=-15!,f=-12!) USER MOD Set 1.2: A 21 MET CE :methyl -138:sc= -1.63 (180deg=-1.2) USER MOD Set 1.3: A 87 HIS : no HE2:sc= -1.07 K(o=-12,f=-14!) USER MOD Set 2.1: A 74 THR OG1 : rot -81:sc= 0.158 USER MOD Set 2.2: A 75 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 62 THR OG1 : rot 110:sc= 0.737 USER MOD Set 3.2: A 66 GLN : amide:sc= 1.63 K(o=2.4,f=-5.2!) USER MOD Set 4.1: A 24 GLN :FLIP amide:sc= 0 F(o=-2.9,f=-1.9) USER MOD Set 4.2: A 53 ASN : amide:sc= -1.9! C(o=-1.9!,f=-3.2!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0504 USER MOD Single : A 5 SER OG : rot 34:sc= 0.0848 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN :FLIP amide:sc= -0.185 F(o=-2.7!,f=-0.18) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.206 K(o=-0.21,f=-2.6!) USER MOD Single : A 35 GLN : amide:sc= -0.687 K(o=-0.69,f=-1.7!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.248 X(o=-0.25,f=-0.29) USER MOD Single : A 46 HIS : no HE2:sc= -1.6 K(o=-1.6,f=-5.5!) USER MOD Single : A 50 ASN : amide:sc= -0.331 K(o=-0.33,f=-2.8!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 179:sc= -1.13 (180deg=-1.14) USER MOD Single : A 61 THR OG1 : rot -35:sc= 0.608 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 121:sc= 0.504 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.045 10.947 14.510 1.00 0.00 N ATOM 2 CA GLY A 1 -8.830 10.865 15.727 1.00 0.00 C ATOM 3 C GLY A 1 -10.033 9.955 15.582 1.00 0.00 C ATOM 4 O GLY A 1 -11.109 10.395 15.178 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.235 11.581 14.662 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.700 10.000 14.255 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.636 11.319 13.740 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.199 10.502 16.538 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.166 11.864 16.007 1.00 0.00 H new ATOM 8 N SER A 2 -9.851 8.679 15.910 1.00 0.00 N ATOM 9 CA SER A 2 -10.928 7.702 15.806 1.00 0.00 C ATOM 10 C SER A 2 -11.404 7.567 14.363 1.00 0.00 C ATOM 11 O SER A 2 -11.952 8.507 13.788 1.00 0.00 O ATOM 12 CB SER A 2 -12.098 8.106 16.705 1.00 0.00 C ATOM 13 OG SER A 2 -13.089 7.094 16.738 1.00 0.00 O ATOM 0 H SER A 2 -8.968 8.298 16.250 1.00 0.00 H new ATOM 0 HA SER A 2 -10.542 6.737 16.134 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.735 8.297 17.715 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.535 9.036 16.342 1.00 0.00 H new ATOM 0 HG SER A 2 -13.825 7.376 17.321 1.00 0.00 H new ATOM 19 N SER A 3 -11.189 6.390 13.785 1.00 0.00 N ATOM 20 CA SER A 3 -11.592 6.130 12.407 1.00 0.00 C ATOM 21 C SER A 3 -13.040 5.654 12.345 1.00 0.00 C ATOM 22 O SER A 3 -13.669 5.407 13.373 1.00 0.00 O ATOM 23 CB SER A 3 -10.671 5.086 11.772 1.00 0.00 C ATOM 24 OG SER A 3 -10.858 5.030 10.368 1.00 0.00 O ATOM 0 H SER A 3 -10.738 5.601 14.249 1.00 0.00 H new ATOM 0 HA SER A 3 -11.511 7.063 11.848 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.632 5.329 11.995 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.870 4.107 12.208 1.00 0.00 H new ATOM 0 HG SER A 3 -10.257 4.357 9.985 1.00 0.00 H new ATOM 30 N GLY A 4 -13.563 5.527 11.129 1.00 0.00 N ATOM 31 CA GLY A 4 -14.933 5.081 10.954 1.00 0.00 C ATOM 32 C GLY A 4 -15.177 4.486 9.580 1.00 0.00 C ATOM 33 O GLY A 4 -14.896 5.119 8.563 1.00 0.00 O ATOM 0 H GLY A 4 -13.063 5.725 10.262 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.170 4.338 11.716 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.609 5.923 11.108 1.00 0.00 H new ATOM 37 N SER A 5 -15.702 3.265 9.551 1.00 0.00 N ATOM 38 CA SER A 5 -15.979 2.582 8.293 1.00 0.00 C ATOM 39 C SER A 5 -17.131 1.596 8.452 1.00 0.00 C ATOM 40 O SER A 5 -17.128 0.761 9.357 1.00 0.00 O ATOM 41 CB SER A 5 -14.730 1.850 7.800 1.00 0.00 C ATOM 42 OG SER A 5 -14.233 0.965 8.789 1.00 0.00 O ATOM 0 H SER A 5 -15.944 2.729 10.384 1.00 0.00 H new ATOM 0 HA SER A 5 -16.266 3.332 7.556 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.966 1.292 6.894 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.960 2.575 7.537 1.00 0.00 H new ATOM 0 HG SER A 5 -14.982 0.588 9.297 1.00 0.00 H new ATOM 48 N SER A 6 -18.116 1.697 7.566 1.00 0.00 N ATOM 49 CA SER A 6 -19.279 0.817 7.610 1.00 0.00 C ATOM 50 C SER A 6 -19.771 0.498 6.202 1.00 0.00 C ATOM 51 O SER A 6 -20.605 1.214 5.647 1.00 0.00 O ATOM 52 CB SER A 6 -20.403 1.462 8.423 1.00 0.00 C ATOM 53 OG SER A 6 -20.578 0.801 9.664 1.00 0.00 O ATOM 0 H SER A 6 -18.133 2.380 6.808 1.00 0.00 H new ATOM 0 HA SER A 6 -18.982 -0.114 8.092 1.00 0.00 H new ATOM 0 HB2 SER A 6 -20.174 2.513 8.596 1.00 0.00 H new ATOM 0 HB3 SER A 6 -21.333 1.428 7.855 1.00 0.00 H new ATOM 0 HG SER A 6 -21.301 1.233 10.166 1.00 0.00 H new ATOM 59 N GLY A 7 -19.250 -0.582 5.629 1.00 0.00 N ATOM 60 CA GLY A 7 -19.648 -0.978 4.291 1.00 0.00 C ATOM 61 C GLY A 7 -19.482 0.141 3.282 1.00 0.00 C ATOM 62 O GLY A 7 -20.276 1.081 3.252 1.00 0.00 O ATOM 0 H GLY A 7 -18.559 -1.190 6.068 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -19.054 -1.837 3.978 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -20.690 -1.299 4.305 1.00 0.00 H new ATOM 66 N GLN A 8 -18.446 0.040 2.456 1.00 0.00 N ATOM 67 CA GLN A 8 -18.177 1.054 1.441 1.00 0.00 C ATOM 68 C GLN A 8 -19.344 1.174 0.468 1.00 0.00 C ATOM 69 O GLN A 8 -19.780 0.183 -0.120 1.00 0.00 O ATOM 70 CB GLN A 8 -16.893 0.716 0.681 1.00 0.00 C ATOM 71 CG GLN A 8 -15.786 1.740 0.872 1.00 0.00 C ATOM 72 CD GLN A 8 -14.508 1.358 0.150 1.00 0.00 C ATOM 73 OE1 GLN A 8 -13.528 0.950 0.773 1.00 0.00 O ATOM 74 NE2 GLN A 8 -14.513 1.489 -1.171 1.00 0.00 N ATOM 0 H GLN A 8 -17.780 -0.732 2.469 1.00 0.00 H new ATOM 0 HA GLN A 8 -18.050 2.012 1.945 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -16.534 -0.260 1.007 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -17.121 0.633 -0.382 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -16.127 2.710 0.511 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -15.578 1.851 1.936 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -15.348 1.831 -1.646 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -13.682 1.247 -1.711 1.00 0.00 H new ATOM 83 N LYS A 9 -19.846 2.392 0.300 1.00 0.00 N ATOM 84 CA LYS A 9 -20.963 2.642 -0.604 1.00 0.00 C ATOM 85 C LYS A 9 -20.542 3.560 -1.747 1.00 0.00 C ATOM 86 O LYS A 9 -19.525 4.245 -1.663 1.00 0.00 O ATOM 87 CB LYS A 9 -22.134 3.265 0.159 1.00 0.00 C ATOM 88 CG LYS A 9 -21.807 4.610 0.783 1.00 0.00 C ATOM 89 CD LYS A 9 -22.621 4.853 2.044 1.00 0.00 C ATOM 90 CE LYS A 9 -24.061 5.214 1.718 1.00 0.00 C ATOM 91 NZ LYS A 9 -24.244 6.684 1.567 1.00 0.00 N ATOM 0 H LYS A 9 -19.497 3.223 0.778 1.00 0.00 H new ATOM 0 HA LYS A 9 -21.278 1.687 -1.025 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -22.977 3.385 -0.521 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -22.452 2.578 0.943 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -20.744 4.653 1.021 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -22.005 5.404 0.063 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -22.601 3.960 2.668 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -22.166 5.657 2.623 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -24.361 4.714 0.797 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -24.715 4.846 2.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -25.239 6.889 1.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -23.982 7.159 2.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -23.639 7.032 0.796 1.00 0.00 H new ATOM 105 N GLY A 10 -21.333 3.568 -2.816 1.00 0.00 N ATOM 106 CA GLY A 10 -21.026 4.406 -3.960 1.00 0.00 C ATOM 107 C GLY A 10 -19.537 4.498 -4.228 1.00 0.00 C ATOM 108 O GLY A 10 -18.895 3.498 -4.550 1.00 0.00 O ATOM 0 H GLY A 10 -22.181 3.009 -2.910 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -21.527 4.008 -4.843 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -21.424 5.406 -3.791 1.00 0.00 H new ATOM 112 N ARG A 11 -18.987 5.701 -4.097 1.00 0.00 N ATOM 113 CA ARG A 11 -17.565 5.920 -4.331 1.00 0.00 C ATOM 114 C ARG A 11 -17.203 7.390 -4.144 1.00 0.00 C ATOM 115 O ARG A 11 -18.056 8.271 -4.263 1.00 0.00 O ATOM 116 CB ARG A 11 -17.181 5.465 -5.740 1.00 0.00 C ATOM 117 CG ARG A 11 -15.928 4.606 -5.784 1.00 0.00 C ATOM 118 CD ARG A 11 -15.880 3.754 -7.042 1.00 0.00 C ATOM 119 NE ARG A 11 -14.511 3.521 -7.494 1.00 0.00 N ATOM 120 CZ ARG A 11 -14.206 2.999 -8.677 1.00 0.00 C ATOM 121 NH1 ARG A 11 -15.168 2.659 -9.522 1.00 0.00 N ATOM 122 NH2 ARG A 11 -12.936 2.819 -9.016 1.00 0.00 N ATOM 0 H ARG A 11 -19.505 6.538 -3.830 1.00 0.00 H new ATOM 0 HA ARG A 11 -17.009 5.331 -3.602 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -18.011 4.904 -6.170 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -17.031 6.343 -6.368 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -15.046 5.245 -5.742 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -15.896 3.962 -4.905 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -16.366 2.797 -6.851 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -16.445 4.246 -7.834 1.00 0.00 H new ATOM 0 HE ARG A 11 -13.747 3.773 -6.867 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -16.145 2.798 -9.265 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -14.931 2.258 -10.430 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -12.193 3.081 -8.368 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -12.703 2.418 -9.924 1.00 0.00 H new ATOM 136 N VAL A 12 -15.934 7.649 -3.850 1.00 0.00 N ATOM 137 CA VAL A 12 -15.458 9.013 -3.646 1.00 0.00 C ATOM 138 C VAL A 12 -14.015 9.167 -4.112 1.00 0.00 C ATOM 139 O VAL A 12 -13.087 8.707 -3.450 1.00 0.00 O ATOM 140 CB VAL A 12 -15.555 9.427 -2.166 1.00 0.00 C ATOM 141 CG1 VAL A 12 -16.808 10.254 -1.924 1.00 0.00 C ATOM 142 CG2 VAL A 12 -15.536 8.198 -1.269 1.00 0.00 C ATOM 0 H VAL A 12 -15.216 6.932 -3.747 1.00 0.00 H new ATOM 0 HA VAL A 12 -16.100 9.664 -4.240 1.00 0.00 H new ATOM 0 HB VAL A 12 -14.690 10.043 -1.920 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -16.860 10.537 -0.873 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -16.776 11.152 -2.541 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -17.688 9.666 -2.185 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -15.605 8.508 -0.226 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -16.382 7.556 -1.514 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -14.607 7.649 -1.424 1.00 0.00 H new ATOM 152 N GLU A 13 -13.835 9.819 -5.257 1.00 0.00 N ATOM 153 CA GLU A 13 -12.502 10.034 -5.812 1.00 0.00 C ATOM 154 C GLU A 13 -11.728 11.057 -4.986 1.00 0.00 C ATOM 155 O GLU A 13 -11.930 12.264 -5.122 1.00 0.00 O ATOM 156 CB GLU A 13 -12.601 10.503 -7.265 1.00 0.00 C ATOM 157 CG GLU A 13 -13.252 9.488 -8.190 1.00 0.00 C ATOM 158 CD GLU A 13 -14.728 9.298 -7.901 1.00 0.00 C ATOM 159 OE1 GLU A 13 -15.502 10.255 -8.106 1.00 0.00 O ATOM 160 OE2 GLU A 13 -15.109 8.189 -7.469 1.00 0.00 O ATOM 0 H GLU A 13 -14.594 10.207 -5.818 1.00 0.00 H new ATOM 0 HA GLU A 13 -11.965 9.086 -5.780 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -13.171 11.432 -7.300 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -11.600 10.729 -7.634 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -13.127 9.811 -9.223 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -12.740 8.531 -8.091 1.00 0.00 H new ATOM 167 N THR A 14 -10.840 10.565 -4.127 1.00 0.00 N ATOM 168 CA THR A 14 -10.036 11.434 -3.278 1.00 0.00 C ATOM 169 C THR A 14 -8.560 11.058 -3.346 1.00 0.00 C ATOM 170 O THR A 14 -8.184 10.101 -4.024 1.00 0.00 O ATOM 171 CB THR A 14 -10.502 11.375 -1.811 1.00 0.00 C ATOM 172 OG1 THR A 14 -10.203 10.090 -1.255 1.00 0.00 O ATOM 173 CG2 THR A 14 -11.996 11.642 -1.707 1.00 0.00 C ATOM 0 H THR A 14 -10.660 9.569 -4.001 1.00 0.00 H new ATOM 0 HA THR A 14 -10.167 12.449 -3.652 1.00 0.00 H new ATOM 0 HB THR A 14 -9.971 12.146 -1.252 1.00 0.00 H new ATOM 0 HG1 THR A 14 -10.501 10.060 -0.322 1.00 0.00 H new ATOM 0 HG21 THR A 14 -12.302 11.595 -0.662 1.00 0.00 H new ATOM 0 HG22 THR A 14 -12.217 12.632 -2.106 1.00 0.00 H new ATOM 0 HG23 THR A 14 -12.541 10.890 -2.279 1.00 0.00 H new ATOM 181 N ARG A 15 -7.728 11.815 -2.639 1.00 0.00 N ATOM 182 CA ARG A 15 -6.292 11.560 -2.619 1.00 0.00 C ATOM 183 C ARG A 15 -6.005 10.064 -2.701 1.00 0.00 C ATOM 184 O ARG A 15 -6.802 9.243 -2.246 1.00 0.00 O ATOM 185 CB ARG A 15 -5.667 12.142 -1.351 1.00 0.00 C ATOM 186 CG ARG A 15 -5.675 13.662 -1.310 1.00 0.00 C ATOM 187 CD ARG A 15 -4.885 14.191 -0.123 1.00 0.00 C ATOM 188 NE ARG A 15 -5.413 15.465 0.361 1.00 0.00 N ATOM 189 CZ ARG A 15 -6.639 15.613 0.850 1.00 0.00 C ATOM 190 NH1 ARG A 15 -7.459 14.575 0.921 1.00 0.00 N ATOM 191 NH2 ARG A 15 -7.046 16.804 1.271 1.00 0.00 N ATOM 0 H ARG A 15 -8.023 12.610 -2.072 1.00 0.00 H new ATOM 0 HA ARG A 15 -5.850 12.045 -3.489 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -6.205 11.761 -0.483 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -4.639 11.790 -1.269 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -5.251 14.054 -2.234 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -6.703 14.020 -1.253 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -4.909 13.459 0.684 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -3.841 14.316 -0.409 1.00 0.00 H new ATOM 0 HE ARG A 15 -4.807 16.285 0.321 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -7.150 13.658 0.599 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -8.400 14.693 1.297 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -6.417 17.606 1.219 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -7.987 16.918 1.647 1.00 0.00 H new ATOM 205 N ARG A 16 -4.862 9.717 -3.283 1.00 0.00 N ATOM 206 CA ARG A 16 -4.470 8.320 -3.425 1.00 0.00 C ATOM 207 C ARG A 16 -3.330 7.975 -2.472 1.00 0.00 C ATOM 208 O ARG A 16 -2.183 8.369 -2.689 1.00 0.00 O ATOM 209 CB ARG A 16 -4.048 8.030 -4.867 1.00 0.00 C ATOM 210 CG ARG A 16 -4.781 8.875 -5.897 1.00 0.00 C ATOM 211 CD ARG A 16 -4.135 10.242 -6.058 1.00 0.00 C ATOM 212 NE ARG A 16 -5.104 11.325 -5.918 1.00 0.00 N ATOM 213 CZ ARG A 16 -4.764 12.601 -5.768 1.00 0.00 C ATOM 214 NH1 ARG A 16 -3.486 12.951 -5.739 1.00 0.00 N ATOM 215 NH2 ARG A 16 -5.704 13.529 -5.647 1.00 0.00 N ATOM 0 H ARG A 16 -4.191 10.384 -3.664 1.00 0.00 H new ATOM 0 HA ARG A 16 -5.331 7.701 -3.174 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.976 8.202 -4.965 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.223 6.976 -5.083 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.785 8.358 -6.857 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.821 8.996 -5.596 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.348 10.361 -5.313 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.660 10.305 -7.037 1.00 0.00 H new ATOM 0 HE ARG A 16 -6.096 11.089 -5.936 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.760 12.240 -5.832 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -3.228 13.931 -5.624 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -6.689 13.264 -5.669 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.442 14.508 -5.532 1.00 0.00 H new ATOM 229 N VAL A 17 -3.653 7.238 -1.413 1.00 0.00 N ATOM 230 CA VAL A 17 -2.656 6.840 -0.427 1.00 0.00 C ATOM 231 C VAL A 17 -2.895 5.411 0.051 1.00 0.00 C ATOM 232 O VAL A 17 -3.684 5.175 0.965 1.00 0.00 O ATOM 233 CB VAL A 17 -2.662 7.784 0.791 1.00 0.00 C ATOM 234 CG1 VAL A 17 -1.660 7.317 1.834 1.00 0.00 C ATOM 235 CG2 VAL A 17 -2.368 9.212 0.358 1.00 0.00 C ATOM 0 H VAL A 17 -4.597 6.905 -1.217 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.685 6.899 -0.918 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.654 7.762 1.242 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.679 7.996 2.686 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.921 6.312 2.165 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.660 7.308 1.400 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.376 9.866 1.230 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.388 9.254 -0.118 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.129 9.542 -0.349 1.00 0.00 H new ATOM 245 N VAL A 18 -2.207 4.461 -0.575 1.00 0.00 N ATOM 246 CA VAL A 18 -2.343 3.056 -0.213 1.00 0.00 C ATOM 247 C VAL A 18 -1.390 2.684 0.918 1.00 0.00 C ATOM 248 O VAL A 18 -0.172 2.673 0.738 1.00 0.00 O ATOM 249 CB VAL A 18 -2.073 2.137 -1.420 1.00 0.00 C ATOM 250 CG1 VAL A 18 -0.886 2.646 -2.223 1.00 0.00 C ATOM 251 CG2 VAL A 18 -1.842 0.706 -0.958 1.00 0.00 C ATOM 0 H VAL A 18 -1.550 4.639 -1.335 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.371 2.914 0.121 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.950 2.148 -2.067 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.710 1.985 -3.071 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.096 3.652 -2.585 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.000 2.666 -1.589 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.653 0.070 -1.823 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.982 0.674 -0.289 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.726 0.347 -0.430 1.00 0.00 H new ATOM 261 N HIS A 19 -1.954 2.380 2.082 1.00 0.00 N ATOM 262 CA HIS A 19 -1.154 2.007 3.244 1.00 0.00 C ATOM 263 C HIS A 19 -0.876 0.506 3.253 1.00 0.00 C ATOM 264 O HIS A 19 -1.774 -0.301 3.011 1.00 0.00 O ATOM 265 CB HIS A 19 -1.868 2.413 4.533 1.00 0.00 C ATOM 266 CG HIS A 19 -1.171 1.950 5.775 1.00 0.00 C ATOM 267 ND1 HIS A 19 0.147 1.802 6.049 1.00 0.00 N flip ATOM 268 CD2 HIS A 19 -1.842 1.572 6.919 1.00 0.00 C flip ATOM 269 CE1 HIS A 19 0.247 1.344 7.339 1.00 0.00 C flip ATOM 270 NE2 HIS A 19 -0.968 1.214 7.843 1.00 0.00 N flip ATOM 0 H HIS A 19 -2.961 2.384 2.246 1.00 0.00 H new ATOM 0 HA HIS A 19 -0.202 2.535 3.184 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -1.960 3.499 4.561 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -2.880 2.008 4.521 1.00 0.00 H new ATOM 0 HD1 HIS A 19 0.922 1.995 5.414 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -2.915 1.569 7.041 1.00 0.00 H new ATOM 0 HE1 HIS A 19 1.169 1.125 7.858 1.00 0.00 H new ATOM 278 N ILE A 20 0.370 0.141 3.532 1.00 0.00 N ATOM 279 CA ILE A 20 0.763 -1.262 3.572 1.00 0.00 C ATOM 280 C ILE A 20 1.500 -1.589 4.867 1.00 0.00 C ATOM 281 O ILE A 20 2.409 -0.866 5.275 1.00 0.00 O ATOM 282 CB ILE A 20 1.663 -1.629 2.377 1.00 0.00 C ATOM 283 CG1 ILE A 20 1.057 -1.102 1.074 1.00 0.00 C ATOM 284 CG2 ILE A 20 1.858 -3.136 2.304 1.00 0.00 C ATOM 285 CD1 ILE A 20 2.060 -0.405 0.180 1.00 0.00 C ATOM 0 H ILE A 20 1.125 0.797 3.734 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.154 -1.848 3.519 1.00 0.00 H new ATOM 0 HB ILE A 20 2.638 -1.162 2.518 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.611 -1.933 0.528 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.251 -0.408 1.312 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.496 -3.380 1.455 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.327 -3.487 3.223 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.890 -3.623 2.182 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.561 -0.058 -0.725 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.488 0.447 0.708 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.854 -1.102 -0.088 1.00 0.00 H new ATOM 297 N MET A 21 1.102 -2.683 5.507 1.00 0.00 N ATOM 298 CA MET A 21 1.727 -3.109 6.754 1.00 0.00 C ATOM 299 C MET A 21 2.080 -4.591 6.707 1.00 0.00 C ATOM 300 O MET A 21 2.032 -5.218 5.649 1.00 0.00 O ATOM 301 CB MET A 21 0.795 -2.831 7.936 1.00 0.00 C ATOM 302 CG MET A 21 -0.096 -1.616 7.735 1.00 0.00 C ATOM 303 SD MET A 21 -1.831 -2.055 7.525 1.00 0.00 S ATOM 304 CE MET A 21 -2.072 -1.666 5.793 1.00 0.00 C ATOM 0 H MET A 21 0.350 -3.291 5.183 1.00 0.00 H new ATOM 0 HA MET A 21 2.647 -2.540 6.884 1.00 0.00 H new ATOM 0 HB2 MET A 21 0.168 -3.706 8.108 1.00 0.00 H new ATOM 0 HB3 MET A 21 1.395 -2.687 8.835 1.00 0.00 H new ATOM 0 HG2 MET A 21 0.005 -0.950 8.592 1.00 0.00 H new ATOM 0 HG3 MET A 21 0.243 -1.062 6.860 1.00 0.00 H new ATOM 0 HE1 MET A 21 -3.032 -1.168 5.662 1.00 0.00 H new ATOM 0 HE2 MET A 21 -1.272 -1.008 5.453 1.00 0.00 H new ATOM 0 HE3 MET A 21 -2.058 -2.586 5.208 1.00 0.00 H new ATOM 314 N ASP A 22 2.436 -5.147 7.861 1.00 0.00 N ATOM 315 CA ASP A 22 2.797 -6.557 7.952 1.00 0.00 C ATOM 316 C ASP A 22 3.786 -6.935 6.854 1.00 0.00 C ATOM 317 O ASP A 22 3.918 -8.108 6.502 1.00 0.00 O ATOM 318 CB ASP A 22 1.547 -7.433 7.854 1.00 0.00 C ATOM 319 CG ASP A 22 0.914 -7.691 9.208 1.00 0.00 C ATOM 320 OD1 ASP A 22 1.648 -7.681 10.217 1.00 0.00 O ATOM 321 OD2 ASP A 22 -0.317 -7.902 9.256 1.00 0.00 O ATOM 0 H ASP A 22 2.482 -4.642 8.746 1.00 0.00 H new ATOM 0 HA ASP A 22 3.273 -6.724 8.918 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.819 -6.951 7.202 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.809 -8.384 7.391 1.00 0.00 H new ATOM 326 N PHE A 23 4.476 -5.936 6.316 1.00 0.00 N ATOM 327 CA PHE A 23 5.452 -6.165 5.256 1.00 0.00 C ATOM 328 C PHE A 23 6.874 -6.110 5.805 1.00 0.00 C ATOM 329 O PHE A 23 7.220 -5.211 6.572 1.00 0.00 O ATOM 330 CB PHE A 23 5.283 -5.126 4.145 1.00 0.00 C ATOM 331 CG PHE A 23 5.767 -3.757 4.526 1.00 0.00 C ATOM 332 CD1 PHE A 23 7.107 -3.424 4.407 1.00 0.00 C ATOM 333 CD2 PHE A 23 4.883 -2.802 5.002 1.00 0.00 C ATOM 334 CE1 PHE A 23 7.555 -2.164 4.758 1.00 0.00 C ATOM 335 CE2 PHE A 23 5.326 -1.540 5.354 1.00 0.00 C ATOM 336 CZ PHE A 23 6.664 -1.221 5.231 1.00 0.00 C ATOM 0 H PHE A 23 4.378 -4.960 6.596 1.00 0.00 H new ATOM 0 HA PHE A 23 5.278 -7.159 4.845 1.00 0.00 H new ATOM 0 HB2 PHE A 23 5.824 -5.461 3.260 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.230 -5.067 3.871 1.00 0.00 H new ATOM 0 HD1 PHE A 23 7.809 -4.156 4.036 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.835 -3.046 5.099 1.00 0.00 H new ATOM 0 HE1 PHE A 23 8.602 -1.917 4.662 1.00 0.00 H new ATOM 0 HE2 PHE A 23 4.627 -0.805 5.724 1.00 0.00 H new ATOM 0 HZ PHE A 23 7.013 -0.236 5.504 1.00 0.00 H new ATOM 346 N GLN A 24 7.692 -7.080 5.408 1.00 0.00 N ATOM 347 CA GLN A 24 9.077 -7.143 5.862 1.00 0.00 C ATOM 348 C GLN A 24 10.006 -6.443 4.875 1.00 0.00 C ATOM 349 O GLN A 24 9.564 -5.936 3.844 1.00 0.00 O ATOM 350 CB GLN A 24 9.510 -8.598 6.043 1.00 0.00 C ATOM 351 CG GLN A 24 8.665 -9.364 7.048 1.00 0.00 C ATOM 352 CD GLN A 24 9.347 -9.506 8.396 1.00 0.00 C ATOM 353 OE1 GLN A 24 9.811 -8.389 8.944 1.00 0.00 O flip ATOM 354 NE2 GLN A 24 9.454 -10.606 8.938 1.00 0.00 N flip ATOM 0 H GLN A 24 7.420 -7.832 4.774 1.00 0.00 H new ATOM 0 HA GLN A 24 9.142 -6.629 6.821 1.00 0.00 H new ATOM 0 HB2 GLN A 24 9.462 -9.105 5.079 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.551 -8.621 6.364 1.00 0.00 H new ATOM 0 HG2 GLN A 24 7.711 -8.853 7.180 1.00 0.00 H new ATOM 0 HG3 GLN A 24 8.444 -10.355 6.651 1.00 0.00 H new ATOM 0 HE21 GLN A 24 9.082 -11.438 8.480 1.00 0.00 H new ATOM 0 HE22 GLN A 24 9.914 -10.685 9.845 1.00 0.00 H new ATOM 363 N ARG A 25 11.295 -6.418 5.198 1.00 0.00 N ATOM 364 CA ARG A 25 12.286 -5.780 4.340 1.00 0.00 C ATOM 365 C ARG A 25 13.441 -6.731 4.042 1.00 0.00 C ATOM 366 O ARG A 25 13.578 -7.776 4.676 1.00 0.00 O ATOM 367 CB ARG A 25 12.817 -4.506 5.001 1.00 0.00 C ATOM 368 CG ARG A 25 11.725 -3.609 5.562 1.00 0.00 C ATOM 369 CD ARG A 25 12.081 -2.138 5.411 1.00 0.00 C ATOM 370 NE ARG A 25 12.394 -1.517 6.696 1.00 0.00 N ATOM 371 CZ ARG A 25 13.526 -1.729 7.358 1.00 0.00 C ATOM 372 NH1 ARG A 25 14.448 -2.540 6.858 1.00 0.00 N ATOM 373 NH2 ARG A 25 13.738 -1.126 8.522 1.00 0.00 N ATOM 0 H ARG A 25 11.677 -6.832 6.048 1.00 0.00 H new ATOM 0 HA ARG A 25 11.802 -5.519 3.399 1.00 0.00 H new ATOM 0 HB2 ARG A 25 13.498 -4.782 5.806 1.00 0.00 H new ATOM 0 HB3 ARG A 25 13.398 -3.943 4.271 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.786 -3.812 5.048 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.568 -3.840 6.616 1.00 0.00 H new ATOM 0 HD2 ARG A 25 12.936 -2.038 4.742 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.249 -1.609 4.946 1.00 0.00 H new ATOM 0 HE ARG A 25 11.706 -0.886 7.107 1.00 0.00 H new ATOM 0 HH11 ARG A 25 14.289 -3.003 5.963 1.00 0.00 H new ATOM 0 HH12 ARG A 25 15.316 -2.701 7.368 1.00 0.00 H new ATOM 0 HH21 ARG A 25 13.031 -0.500 8.908 1.00 0.00 H new ATOM 0 HH22 ARG A 25 14.607 -1.289 9.030 1.00 0.00 H new ATOM 387 N GLY A 26 14.270 -6.360 3.070 1.00 0.00 N ATOM 388 CA GLY A 26 15.402 -7.191 2.704 1.00 0.00 C ATOM 389 C GLY A 26 16.096 -6.704 1.448 1.00 0.00 C ATOM 390 O GLY A 26 16.761 -5.667 1.458 1.00 0.00 O ATOM 0 H GLY A 26 14.178 -5.499 2.530 1.00 0.00 H new ATOM 0 HA2 GLY A 26 16.117 -7.209 3.527 1.00 0.00 H new ATOM 0 HA3 GLY A 26 15.063 -8.216 2.554 1.00 0.00 H new ATOM 394 N LYS A 27 15.945 -7.454 0.362 1.00 0.00 N ATOM 395 CA LYS A 27 16.563 -7.094 -0.908 1.00 0.00 C ATOM 396 C LYS A 27 15.516 -6.598 -1.901 1.00 0.00 C ATOM 397 O LYS A 27 14.605 -7.335 -2.277 1.00 0.00 O ATOM 398 CB LYS A 27 17.308 -8.296 -1.495 1.00 0.00 C ATOM 399 CG LYS A 27 18.662 -7.943 -2.086 1.00 0.00 C ATOM 400 CD LYS A 27 19.612 -9.128 -2.051 1.00 0.00 C ATOM 401 CE LYS A 27 20.518 -9.153 -3.272 1.00 0.00 C ATOM 402 NZ LYS A 27 21.807 -9.844 -2.993 1.00 0.00 N ATOM 0 H LYS A 27 15.400 -8.316 0.336 1.00 0.00 H new ATOM 0 HA LYS A 27 17.274 -6.288 -0.722 1.00 0.00 H new ATOM 0 HB2 LYS A 27 17.446 -9.044 -0.714 1.00 0.00 H new ATOM 0 HB3 LYS A 27 16.691 -8.753 -2.269 1.00 0.00 H new ATOM 0 HG2 LYS A 27 18.534 -7.608 -3.115 1.00 0.00 H new ATOM 0 HG3 LYS A 27 19.096 -7.111 -1.532 1.00 0.00 H new ATOM 0 HD2 LYS A 27 20.219 -9.082 -1.147 1.00 0.00 H new ATOM 0 HD3 LYS A 27 19.039 -10.054 -2.003 1.00 0.00 H new ATOM 0 HE2 LYS A 27 20.007 -9.656 -4.093 1.00 0.00 H new ATOM 0 HE3 LYS A 27 20.717 -8.132 -3.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 22.396 -9.840 -3.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 22.307 -9.350 -2.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 21.620 -10.826 -2.707 1.00 0.00 H new ATOM 416 N ASN A 28 15.655 -5.346 -2.323 1.00 0.00 N ATOM 417 CA ASN A 28 14.721 -4.751 -3.273 1.00 0.00 C ATOM 418 C ASN A 28 13.321 -4.660 -2.674 1.00 0.00 C ATOM 419 O ASN A 28 12.322 -4.860 -3.368 1.00 0.00 O ATOM 420 CB ASN A 28 14.683 -5.572 -4.564 1.00 0.00 C ATOM 421 CG ASN A 28 16.060 -5.754 -5.174 1.00 0.00 C ATOM 422 OD1 ASN A 28 16.831 -6.687 -4.627 1.00 0.00 O flip ATOM 423 ND2 ASN A 28 16.425 -5.065 -6.126 1.00 0.00 N flip ATOM 0 H ASN A 28 16.405 -4.723 -2.023 1.00 0.00 H new ATOM 0 HA ASN A 28 15.066 -3.742 -3.501 1.00 0.00 H new ATOM 0 HB2 ASN A 28 14.248 -6.550 -4.357 1.00 0.00 H new ATOM 0 HB3 ASN A 28 14.031 -5.080 -5.286 1.00 0.00 H new ATOM 0 HD21 ASN A 28 15.799 -4.359 -6.515 1.00 0.00 H new ATOM 0 HD22 ASN A 28 17.353 -5.199 -6.527 1.00 0.00 H new ATOM 430 N LEU A 29 13.254 -4.354 -1.383 1.00 0.00 N ATOM 431 CA LEU A 29 11.977 -4.235 -0.690 1.00 0.00 C ATOM 432 C LEU A 29 11.133 -3.115 -1.293 1.00 0.00 C ATOM 433 O LEU A 29 10.008 -3.344 -1.737 1.00 0.00 O ATOM 434 CB LEU A 29 12.204 -3.972 0.799 1.00 0.00 C ATOM 435 CG LEU A 29 10.964 -3.596 1.612 1.00 0.00 C ATOM 436 CD1 LEU A 29 10.619 -2.129 1.412 1.00 0.00 C ATOM 437 CD2 LEU A 29 9.787 -4.480 1.228 1.00 0.00 C ATOM 0 H LEU A 29 14.070 -4.184 -0.795 1.00 0.00 H new ATOM 0 HA LEU A 29 11.439 -5.175 -0.808 1.00 0.00 H new ATOM 0 HB2 LEU A 29 12.647 -4.864 1.241 1.00 0.00 H new ATOM 0 HB3 LEU A 29 12.936 -3.170 0.898 1.00 0.00 H new ATOM 0 HG LEU A 29 11.183 -3.755 2.668 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.734 -1.880 1.998 1.00 0.00 H new ATOM 0 HD12 LEU A 29 11.456 -1.511 1.738 1.00 0.00 H new ATOM 0 HD13 LEU A 29 10.419 -1.943 0.357 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.914 -4.199 1.816 1.00 0.00 H new ATOM 0 HD22 LEU A 29 9.567 -4.353 0.168 1.00 0.00 H new ATOM 0 HD23 LEU A 29 10.036 -5.523 1.424 1.00 0.00 H new ATOM 449 N ARG A 30 11.685 -1.907 -1.306 1.00 0.00 N ATOM 450 CA ARG A 30 10.984 -0.753 -1.855 1.00 0.00 C ATOM 451 C ARG A 30 10.225 -1.130 -3.124 1.00 0.00 C ATOM 452 O ARG A 30 9.237 -0.490 -3.482 1.00 0.00 O ATOM 453 CB ARG A 30 11.972 0.376 -2.154 1.00 0.00 C ATOM 454 CG ARG A 30 11.302 1.689 -2.526 1.00 0.00 C ATOM 455 CD ARG A 30 11.936 2.307 -3.763 1.00 0.00 C ATOM 456 NE ARG A 30 11.984 1.368 -4.881 1.00 0.00 N ATOM 457 CZ ARG A 30 12.440 1.685 -6.088 1.00 0.00 C ATOM 458 NH1 ARG A 30 12.887 2.909 -6.331 1.00 0.00 N ATOM 459 NH2 ARG A 30 12.452 0.775 -7.053 1.00 0.00 N ATOM 0 H ARG A 30 12.616 -1.702 -0.943 1.00 0.00 H new ATOM 0 HA ARG A 30 10.265 -0.409 -1.112 1.00 0.00 H new ATOM 0 HB2 ARG A 30 12.604 0.535 -1.280 1.00 0.00 H new ATOM 0 HB3 ARG A 30 12.627 0.068 -2.969 1.00 0.00 H new ATOM 0 HG2 ARG A 30 10.241 1.519 -2.706 1.00 0.00 H new ATOM 0 HG3 ARG A 30 11.376 2.386 -1.691 1.00 0.00 H new ATOM 0 HD2 ARG A 30 11.371 3.191 -4.057 1.00 0.00 H new ATOM 0 HD3 ARG A 30 12.947 2.639 -3.525 1.00 0.00 H new ATOM 0 HE ARG A 30 11.649 0.417 -4.727 1.00 0.00 H new ATOM 0 HH11 ARG A 30 12.881 3.610 -5.590 1.00 0.00 H new ATOM 0 HH12 ARG A 30 13.237 3.150 -7.259 1.00 0.00 H new ATOM 0 HH21 ARG A 30 12.111 -0.168 -6.869 1.00 0.00 H new ATOM 0 HH22 ARG A 30 12.802 1.019 -7.980 1.00 0.00 H new ATOM 473 N TYR A 31 10.697 -2.172 -3.800 1.00 0.00 N ATOM 474 CA TYR A 31 10.066 -2.633 -5.031 1.00 0.00 C ATOM 475 C TYR A 31 8.919 -3.593 -4.729 1.00 0.00 C ATOM 476 O TYR A 31 7.867 -3.538 -5.365 1.00 0.00 O ATOM 477 CB TYR A 31 11.095 -3.317 -5.932 1.00 0.00 C ATOM 478 CG TYR A 31 10.483 -4.248 -6.953 1.00 0.00 C ATOM 479 CD1 TYR A 31 10.208 -5.573 -6.638 1.00 0.00 C ATOM 480 CD2 TYR A 31 10.179 -3.803 -8.234 1.00 0.00 C ATOM 481 CE1 TYR A 31 9.649 -6.428 -7.568 1.00 0.00 C ATOM 482 CE2 TYR A 31 9.618 -4.651 -9.170 1.00 0.00 C ATOM 483 CZ TYR A 31 9.355 -5.962 -8.832 1.00 0.00 C ATOM 484 OH TYR A 31 8.797 -6.809 -9.762 1.00 0.00 O ATOM 0 H TYR A 31 11.514 -2.713 -3.516 1.00 0.00 H new ATOM 0 HA TYR A 31 9.661 -1.764 -5.549 1.00 0.00 H new ATOM 0 HB2 TYR A 31 11.675 -2.554 -6.451 1.00 0.00 H new ATOM 0 HB3 TYR A 31 11.792 -3.880 -5.311 1.00 0.00 H new ATOM 0 HD1 TYR A 31 10.435 -5.941 -5.648 1.00 0.00 H new ATOM 0 HD2 TYR A 31 10.385 -2.777 -8.503 1.00 0.00 H new ATOM 0 HE1 TYR A 31 9.443 -7.456 -7.307 1.00 0.00 H new ATOM 0 HE2 TYR A 31 9.387 -4.289 -10.161 1.00 0.00 H new ATOM 0 HH TYR A 31 8.651 -6.324 -10.601 1.00 0.00 H new ATOM 494 N GLN A 32 9.133 -4.471 -3.754 1.00 0.00 N ATOM 495 CA GLN A 32 8.118 -5.444 -3.368 1.00 0.00 C ATOM 496 C GLN A 32 6.794 -4.755 -3.059 1.00 0.00 C ATOM 497 O GLN A 32 5.722 -5.287 -3.350 1.00 0.00 O ATOM 498 CB GLN A 32 8.586 -6.245 -2.152 1.00 0.00 C ATOM 499 CG GLN A 32 9.884 -7.001 -2.384 1.00 0.00 C ATOM 500 CD GLN A 32 9.674 -8.497 -2.512 1.00 0.00 C ATOM 501 OE1 GLN A 32 8.740 -9.055 -1.936 1.00 0.00 O ATOM 502 NE2 GLN A 32 10.543 -9.155 -3.269 1.00 0.00 N ATOM 0 H GLN A 32 9.999 -4.528 -3.218 1.00 0.00 H new ATOM 0 HA GLN A 32 7.965 -6.125 -4.206 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.716 -5.567 -1.309 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.807 -6.954 -1.873 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.361 -6.626 -3.290 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.568 -6.803 -1.558 1.00 0.00 H new ATOM 0 HE21 GLN A 32 11.302 -8.652 -3.728 1.00 0.00 H new ATOM 0 HE22 GLN A 32 10.451 -10.163 -3.392 1.00 0.00 H new ATOM 511 N LEU A 33 6.873 -3.569 -2.467 1.00 0.00 N ATOM 512 CA LEU A 33 5.680 -2.806 -2.117 1.00 0.00 C ATOM 513 C LEU A 33 5.167 -2.017 -3.317 1.00 0.00 C ATOM 514 O LEU A 33 3.970 -2.018 -3.609 1.00 0.00 O ATOM 515 CB LEU A 33 5.981 -1.854 -0.957 1.00 0.00 C ATOM 516 CG LEU A 33 6.514 -2.501 0.321 1.00 0.00 C ATOM 517 CD1 LEU A 33 6.961 -1.437 1.311 1.00 0.00 C ATOM 518 CD2 LEU A 33 5.457 -3.402 0.944 1.00 0.00 C ATOM 0 H LEU A 33 7.752 -3.114 -2.219 1.00 0.00 H new ATOM 0 HA LEU A 33 4.906 -3.509 -1.810 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.708 -1.117 -1.298 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.068 -1.312 -0.712 1.00 0.00 H new ATOM 0 HG LEU A 33 7.378 -3.113 0.063 1.00 0.00 H new ATOM 0 HD11 LEU A 33 7.337 -1.916 2.215 1.00 0.00 H new ATOM 0 HD12 LEU A 33 7.751 -0.833 0.864 1.00 0.00 H new ATOM 0 HD13 LEU A 33 6.115 -0.798 1.565 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.854 -3.854 1.853 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.574 -2.812 1.188 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.185 -4.186 0.238 1.00 0.00 H new ATOM 530 N LEU A 34 6.079 -1.346 -4.012 1.00 0.00 N ATOM 531 CA LEU A 34 5.720 -0.555 -5.183 1.00 0.00 C ATOM 532 C LEU A 34 5.194 -1.447 -6.303 1.00 0.00 C ATOM 533 O LEU A 34 4.484 -0.985 -7.195 1.00 0.00 O ATOM 534 CB LEU A 34 6.929 0.242 -5.675 1.00 0.00 C ATOM 535 CG LEU A 34 7.393 1.385 -4.772 1.00 0.00 C ATOM 536 CD1 LEU A 34 8.780 1.859 -5.179 1.00 0.00 C ATOM 537 CD2 LEU A 34 6.399 2.537 -4.817 1.00 0.00 C ATOM 0 H LEU A 34 7.073 -1.334 -3.784 1.00 0.00 H new ATOM 0 HA LEU A 34 4.929 0.138 -4.894 1.00 0.00 H new ATOM 0 HB2 LEU A 34 7.762 -0.447 -5.811 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.692 0.654 -6.656 1.00 0.00 H new ATOM 0 HG LEU A 34 7.445 1.015 -3.748 1.00 0.00 H new ATOM 0 HD11 LEU A 34 9.093 2.673 -4.525 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.486 1.033 -5.094 1.00 0.00 H new ATOM 0 HD13 LEU A 34 8.756 2.211 -6.210 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.745 3.342 -4.168 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.315 2.905 -5.839 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.424 2.190 -4.475 1.00 0.00 H new ATOM 549 N GLN A 35 5.545 -2.727 -6.247 1.00 0.00 N ATOM 550 CA GLN A 35 5.107 -3.684 -7.256 1.00 0.00 C ATOM 551 C GLN A 35 3.636 -4.036 -7.069 1.00 0.00 C ATOM 552 O GLN A 35 3.019 -4.653 -7.939 1.00 0.00 O ATOM 553 CB GLN A 35 5.960 -4.952 -7.191 1.00 0.00 C ATOM 554 CG GLN A 35 5.571 -5.889 -6.059 1.00 0.00 C ATOM 555 CD GLN A 35 4.918 -7.163 -6.554 1.00 0.00 C ATOM 556 OE1 GLN A 35 3.910 -7.612 -6.007 1.00 0.00 O ATOM 557 NE2 GLN A 35 5.488 -7.755 -7.598 1.00 0.00 N ATOM 0 H GLN A 35 6.131 -3.126 -5.514 1.00 0.00 H new ATOM 0 HA GLN A 35 5.229 -3.223 -8.236 1.00 0.00 H new ATOM 0 HB2 GLN A 35 5.876 -5.485 -8.138 1.00 0.00 H new ATOM 0 HB3 GLN A 35 7.007 -4.670 -7.075 1.00 0.00 H new ATOM 0 HG2 GLN A 35 6.459 -6.142 -5.480 1.00 0.00 H new ATOM 0 HG3 GLN A 35 4.887 -5.373 -5.384 1.00 0.00 H new ATOM 0 HE21 GLN A 35 6.323 -7.349 -8.021 1.00 0.00 H new ATOM 0 HE22 GLN A 35 5.091 -8.615 -7.976 1.00 0.00 H new ATOM 566 N LEU A 36 3.079 -3.643 -5.929 1.00 0.00 N ATOM 567 CA LEU A 36 1.678 -3.918 -5.627 1.00 0.00 C ATOM 568 C LEU A 36 0.767 -2.885 -6.283 1.00 0.00 C ATOM 569 O LEU A 36 -0.446 -3.080 -6.373 1.00 0.00 O ATOM 570 CB LEU A 36 1.453 -3.925 -4.114 1.00 0.00 C ATOM 571 CG LEU A 36 2.267 -4.946 -3.319 1.00 0.00 C ATOM 572 CD1 LEU A 36 2.160 -4.671 -1.828 1.00 0.00 C ATOM 573 CD2 LEU A 36 1.804 -6.361 -3.638 1.00 0.00 C ATOM 0 H LEU A 36 3.576 -3.133 -5.198 1.00 0.00 H new ATOM 0 HA LEU A 36 1.432 -4.901 -6.029 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.679 -2.931 -3.729 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.395 -4.107 -3.925 1.00 0.00 H new ATOM 0 HG LEU A 36 3.314 -4.853 -3.609 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.746 -5.408 -1.279 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.541 -3.672 -1.614 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.116 -4.735 -1.520 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.394 -7.075 -3.064 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.751 -6.467 -3.377 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.935 -6.555 -4.702 1.00 0.00 H new ATOM 585 N VAL A 37 1.359 -1.787 -6.741 1.00 0.00 N ATOM 586 CA VAL A 37 0.602 -0.725 -7.392 1.00 0.00 C ATOM 587 C VAL A 37 1.183 -0.396 -8.763 1.00 0.00 C ATOM 588 O VAL A 37 0.476 0.086 -9.648 1.00 0.00 O ATOM 589 CB VAL A 37 0.580 0.555 -6.536 1.00 0.00 C ATOM 590 CG1 VAL A 37 0.112 0.245 -5.122 1.00 0.00 C ATOM 591 CG2 VAL A 37 1.954 1.208 -6.520 1.00 0.00 C ATOM 0 H VAL A 37 2.361 -1.610 -6.673 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.418 -1.091 -7.511 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.126 1.256 -6.981 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.103 1.162 -4.532 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.893 -0.175 -5.155 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.791 -0.475 -4.664 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.921 2.111 -5.911 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.682 0.514 -6.100 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.245 1.468 -7.538 1.00 0.00 H new ATOM 601 N GLU A 38 2.474 -0.662 -8.932 1.00 0.00 N ATOM 602 CA GLU A 38 3.150 -0.394 -10.195 1.00 0.00 C ATOM 603 C GLU A 38 2.305 -0.868 -11.375 1.00 0.00 C ATOM 604 O GLU A 38 1.902 -0.086 -12.237 1.00 0.00 O ATOM 605 CB GLU A 38 4.517 -1.080 -10.224 1.00 0.00 C ATOM 606 CG GLU A 38 5.683 -0.110 -10.305 1.00 0.00 C ATOM 607 CD GLU A 38 6.365 -0.130 -11.659 1.00 0.00 C ATOM 608 OE1 GLU A 38 5.890 0.574 -12.574 1.00 0.00 O ATOM 609 OE2 GLU A 38 7.375 -0.850 -11.804 1.00 0.00 O ATOM 0 H GLU A 38 3.073 -1.063 -8.210 1.00 0.00 H new ATOM 0 HA GLU A 38 3.291 0.683 -10.280 1.00 0.00 H new ATOM 0 HB2 GLU A 38 4.626 -1.692 -9.329 1.00 0.00 H new ATOM 0 HB3 GLU A 38 4.557 -1.755 -11.079 1.00 0.00 H new ATOM 0 HG2 GLU A 38 5.327 0.899 -10.097 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.411 -0.357 -9.532 1.00 0.00 H new ATOM 616 N PRO A 39 2.032 -2.180 -11.417 1.00 0.00 N ATOM 617 CA PRO A 39 1.234 -2.789 -12.484 1.00 0.00 C ATOM 618 C PRO A 39 -0.235 -2.385 -12.413 1.00 0.00 C ATOM 619 O PRO A 39 -1.048 -2.813 -13.232 1.00 0.00 O ATOM 620 CB PRO A 39 1.388 -4.290 -12.231 1.00 0.00 C ATOM 621 CG PRO A 39 1.689 -4.400 -10.776 1.00 0.00 C ATOM 622 CD PRO A 39 2.480 -3.171 -10.423 1.00 0.00 C ATOM 0 HA PRO A 39 1.568 -2.473 -13.472 1.00 0.00 H new ATOM 0 HB2 PRO A 39 0.477 -4.830 -12.489 1.00 0.00 H new ATOM 0 HB3 PRO A 39 2.191 -4.713 -12.835 1.00 0.00 H new ATOM 0 HG2 PRO A 39 0.771 -4.455 -10.191 1.00 0.00 H new ATOM 0 HG3 PRO A 39 2.258 -5.305 -10.562 1.00 0.00 H new ATOM 0 HD2 PRO A 39 2.275 -2.840 -9.405 1.00 0.00 H new ATOM 0 HD3 PRO A 39 3.553 -3.351 -10.490 1.00 0.00 H new ATOM 630 N PHE A 40 -0.569 -1.557 -11.428 1.00 0.00 N ATOM 631 CA PHE A 40 -1.941 -1.096 -11.249 1.00 0.00 C ATOM 632 C PHE A 40 -2.090 0.354 -11.700 1.00 0.00 C ATOM 633 O PHE A 40 -3.201 0.873 -11.804 1.00 0.00 O ATOM 634 CB PHE A 40 -2.360 -1.231 -9.783 1.00 0.00 C ATOM 635 CG PHE A 40 -2.476 -2.656 -9.323 1.00 0.00 C ATOM 636 CD1 PHE A 40 -1.379 -3.320 -8.798 1.00 0.00 C ATOM 637 CD2 PHE A 40 -3.683 -3.331 -9.413 1.00 0.00 C ATOM 638 CE1 PHE A 40 -1.484 -4.632 -8.374 1.00 0.00 C ATOM 639 CE2 PHE A 40 -3.794 -4.642 -8.991 1.00 0.00 C ATOM 640 CZ PHE A 40 -2.693 -5.292 -8.469 1.00 0.00 C ATOM 0 H PHE A 40 0.092 -1.192 -10.742 1.00 0.00 H new ATOM 0 HA PHE A 40 -2.590 -1.719 -11.864 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -1.634 -0.713 -9.156 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -3.318 -0.732 -9.640 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -0.432 -2.807 -8.719 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -4.548 -2.826 -9.818 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -0.621 -5.140 -7.969 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -4.740 -5.157 -9.069 1.00 0.00 H new ATOM 0 HZ PHE A 40 -2.778 -6.316 -8.135 1.00 0.00 H new ATOM 650 N GLY A 41 -0.961 1.004 -11.968 1.00 0.00 N ATOM 651 CA GLY A 41 -0.987 2.388 -12.404 1.00 0.00 C ATOM 652 C GLY A 41 0.392 3.015 -12.426 1.00 0.00 C ATOM 653 O GLY A 41 1.389 2.332 -12.666 1.00 0.00 O ATOM 0 H GLY A 41 -0.029 0.597 -11.891 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.424 2.443 -13.401 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.633 2.963 -11.741 1.00 0.00 H new ATOM 657 N VAL A 42 0.453 4.319 -12.177 1.00 0.00 N ATOM 658 CA VAL A 42 1.721 5.039 -12.169 1.00 0.00 C ATOM 659 C VAL A 42 2.098 5.473 -10.758 1.00 0.00 C ATOM 660 O VAL A 42 1.230 5.745 -9.928 1.00 0.00 O ATOM 661 CB VAL A 42 1.667 6.280 -13.079 1.00 0.00 C ATOM 662 CG1 VAL A 42 0.301 6.945 -12.995 1.00 0.00 C ATOM 663 CG2 VAL A 42 2.769 7.261 -12.709 1.00 0.00 C ATOM 0 H VAL A 42 -0.362 4.899 -11.978 1.00 0.00 H new ATOM 0 HA VAL A 42 2.477 4.352 -12.548 1.00 0.00 H new ATOM 0 HB VAL A 42 1.827 5.960 -14.109 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.282 7.820 -13.645 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.467 6.240 -13.313 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.108 7.252 -11.967 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.715 8.132 -13.362 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.643 7.576 -11.673 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.740 6.779 -12.826 1.00 0.00 H new ATOM 673 N ILE A 43 3.399 5.536 -10.491 1.00 0.00 N ATOM 674 CA ILE A 43 3.891 5.939 -9.180 1.00 0.00 C ATOM 675 C ILE A 43 4.120 7.445 -9.118 1.00 0.00 C ATOM 676 O ILE A 43 4.793 8.017 -9.975 1.00 0.00 O ATOM 677 CB ILE A 43 5.204 5.216 -8.825 1.00 0.00 C ATOM 678 CG1 ILE A 43 5.096 3.725 -9.155 1.00 0.00 C ATOM 679 CG2 ILE A 43 5.537 5.416 -7.355 1.00 0.00 C ATOM 680 CD1 ILE A 43 4.211 2.958 -8.198 1.00 0.00 C ATOM 0 H ILE A 43 4.131 5.313 -11.166 1.00 0.00 H new ATOM 0 HA ILE A 43 3.125 5.660 -8.456 1.00 0.00 H new ATOM 0 HB ILE A 43 6.010 5.643 -9.421 1.00 0.00 H new ATOM 0 HG12 ILE A 43 4.707 3.612 -10.167 1.00 0.00 H new ATOM 0 HG13 ILE A 43 6.094 3.286 -9.146 1.00 0.00 H new ATOM 0 HG21 ILE A 43 6.467 4.899 -7.119 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.651 6.480 -7.149 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.732 5.012 -6.741 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.180 1.909 -8.492 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.611 3.040 -7.187 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.203 3.371 -8.224 1.00 0.00 H new ATOM 692 N SER A 44 3.557 8.081 -8.096 1.00 0.00 N ATOM 693 CA SER A 44 3.698 9.523 -7.922 1.00 0.00 C ATOM 694 C SER A 44 4.649 9.840 -6.772 1.00 0.00 C ATOM 695 O SER A 44 5.535 10.685 -6.901 1.00 0.00 O ATOM 696 CB SER A 44 2.333 10.163 -7.661 1.00 0.00 C ATOM 697 OG SER A 44 1.884 10.887 -8.794 1.00 0.00 O ATOM 0 H SER A 44 2.999 7.622 -7.376 1.00 0.00 H new ATOM 0 HA SER A 44 4.115 9.936 -8.841 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.607 9.390 -7.409 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.399 10.830 -6.802 1.00 0.00 H new ATOM 0 HG SER A 44 1.009 11.285 -8.602 1.00 0.00 H new ATOM 703 N ASN A 45 4.458 9.157 -5.648 1.00 0.00 N ATOM 704 CA ASN A 45 5.298 9.367 -4.475 1.00 0.00 C ATOM 705 C ASN A 45 4.966 8.356 -3.381 1.00 0.00 C ATOM 706 O ASN A 45 3.806 8.199 -2.998 1.00 0.00 O ATOM 707 CB ASN A 45 5.120 10.790 -3.941 1.00 0.00 C ATOM 708 CG ASN A 45 6.320 11.670 -4.231 1.00 0.00 C ATOM 709 OD1 ASN A 45 7.441 11.364 -3.824 1.00 0.00 O ATOM 710 ND2 ASN A 45 6.090 12.770 -4.937 1.00 0.00 N ATOM 0 H ASN A 45 3.729 8.454 -5.525 1.00 0.00 H new ATOM 0 HA ASN A 45 6.337 9.226 -4.773 1.00 0.00 H new ATOM 0 HB2 ASN A 45 4.231 11.234 -4.388 1.00 0.00 H new ATOM 0 HB3 ASN A 45 4.952 10.753 -2.865 1.00 0.00 H new ATOM 0 HD21 ASN A 45 6.859 13.401 -5.163 1.00 0.00 H new ATOM 0 HD22 ASN A 45 5.144 12.984 -5.254 1.00 0.00 H new ATOM 717 N HIS A 46 5.992 7.675 -2.881 1.00 0.00 N ATOM 718 CA HIS A 46 5.809 6.679 -1.831 1.00 0.00 C ATOM 719 C HIS A 46 6.599 7.058 -0.581 1.00 0.00 C ATOM 720 O HIS A 46 7.445 7.952 -0.616 1.00 0.00 O ATOM 721 CB HIS A 46 6.245 5.300 -2.325 1.00 0.00 C ATOM 722 CG HIS A 46 7.716 5.055 -2.197 1.00 0.00 C ATOM 723 ND1 HIS A 46 8.667 5.993 -2.537 1.00 0.00 N ATOM 724 CD2 HIS A 46 8.399 3.969 -1.763 1.00 0.00 C ATOM 725 CE1 HIS A 46 9.872 5.495 -2.319 1.00 0.00 C ATOM 726 NE2 HIS A 46 9.736 4.268 -1.849 1.00 0.00 N ATOM 0 H HIS A 46 6.958 7.794 -3.186 1.00 0.00 H new ATOM 0 HA HIS A 46 4.750 6.646 -1.575 1.00 0.00 H new ATOM 0 HB2 HIS A 46 5.708 4.536 -1.764 1.00 0.00 H new ATOM 0 HB3 HIS A 46 5.956 5.190 -3.370 1.00 0.00 H new ATOM 0 HD1 HIS A 46 8.471 6.926 -2.900 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.971 3.041 -1.414 1.00 0.00 H new ATOM 0 HE1 HIS A 46 10.808 6.004 -2.495 1.00 0.00 H new ATOM 734 N LEU A 47 6.317 6.372 0.522 1.00 0.00 N ATOM 735 CA LEU A 47 7.001 6.637 1.782 1.00 0.00 C ATOM 736 C LEU A 47 7.182 5.352 2.584 1.00 0.00 C ATOM 737 O LEU A 47 6.247 4.565 2.733 1.00 0.00 O ATOM 738 CB LEU A 47 6.215 7.659 2.606 1.00 0.00 C ATOM 739 CG LEU A 47 6.686 7.864 4.047 1.00 0.00 C ATOM 740 CD1 LEU A 47 6.046 9.107 4.645 1.00 0.00 C ATOM 741 CD2 LEU A 47 6.367 6.639 4.891 1.00 0.00 C ATOM 0 H LEU A 47 5.620 5.629 0.568 1.00 0.00 H new ATOM 0 HA LEU A 47 7.986 7.043 1.554 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.255 8.619 2.092 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.169 7.352 2.627 1.00 0.00 H new ATOM 0 HG LEU A 47 7.767 8.004 4.040 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.392 9.237 5.670 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.325 9.980 4.054 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.962 8.996 4.640 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.709 6.802 5.913 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.291 6.468 4.892 1.00 0.00 H new ATOM 0 HD23 LEU A 47 6.873 5.768 4.474 1.00 0.00 H new ATOM 753 N ILE A 48 8.389 5.148 3.099 1.00 0.00 N ATOM 754 CA ILE A 48 8.691 3.959 3.889 1.00 0.00 C ATOM 755 C ILE A 48 9.454 4.322 5.158 1.00 0.00 C ATOM 756 O ILE A 48 10.653 4.602 5.116 1.00 0.00 O ATOM 757 CB ILE A 48 9.516 2.941 3.080 1.00 0.00 C ATOM 758 CG1 ILE A 48 9.120 2.989 1.602 1.00 0.00 C ATOM 759 CG2 ILE A 48 9.326 1.540 3.639 1.00 0.00 C ATOM 760 CD1 ILE A 48 9.784 1.920 0.763 1.00 0.00 C ATOM 0 H ILE A 48 9.174 5.789 2.984 1.00 0.00 H new ATOM 0 HA ILE A 48 7.736 3.508 4.159 1.00 0.00 H new ATOM 0 HB ILE A 48 10.571 3.204 3.163 1.00 0.00 H new ATOM 0 HG12 ILE A 48 8.038 2.883 1.521 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.376 3.968 1.197 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.916 0.833 3.056 1.00 0.00 H new ATOM 0 HG22 ILE A 48 9.653 1.515 4.678 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.272 1.266 3.584 1.00 0.00 H new ATOM 0 HD11 ILE A 48 9.457 2.015 -0.272 1.00 0.00 H new ATOM 0 HD12 ILE A 48 10.866 2.038 0.814 1.00 0.00 H new ATOM 0 HD13 ILE A 48 9.508 0.936 1.142 1.00 0.00 H new ATOM 772 N LEU A 49 8.753 4.313 6.285 1.00 0.00 N ATOM 773 CA LEU A 49 9.364 4.640 7.569 1.00 0.00 C ATOM 774 C LEU A 49 10.440 3.622 7.934 1.00 0.00 C ATOM 775 O LEU A 49 10.232 2.415 7.816 1.00 0.00 O ATOM 776 CB LEU A 49 8.299 4.688 8.666 1.00 0.00 C ATOM 777 CG LEU A 49 7.026 5.465 8.331 1.00 0.00 C ATOM 778 CD1 LEU A 49 5.914 5.118 9.310 1.00 0.00 C ATOM 779 CD2 LEU A 49 7.296 6.963 8.338 1.00 0.00 C ATOM 0 H LEU A 49 7.761 4.083 6.337 1.00 0.00 H new ATOM 0 HA LEU A 49 9.831 5.621 7.482 1.00 0.00 H new ATOM 0 HB2 LEU A 49 8.020 3.665 8.919 1.00 0.00 H new ATOM 0 HB3 LEU A 49 8.745 5.127 9.558 1.00 0.00 H new ATOM 0 HG LEU A 49 6.703 5.179 7.330 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.016 5.681 9.055 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.701 4.050 9.255 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.227 5.374 10.322 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.378 7.499 8.097 1.00 0.00 H new ATOM 0 HD22 LEU A 49 7.645 7.265 9.326 1.00 0.00 H new ATOM 0 HD23 LEU A 49 8.059 7.199 7.596 1.00 0.00 H new ATOM 791 N ASN A 50 11.589 4.118 8.379 1.00 0.00 N ATOM 792 CA ASN A 50 12.698 3.252 8.764 1.00 0.00 C ATOM 793 C ASN A 50 12.632 2.911 10.249 1.00 0.00 C ATOM 794 O ASN A 50 13.660 2.738 10.904 1.00 0.00 O ATOM 795 CB ASN A 50 14.034 3.924 8.442 1.00 0.00 C ATOM 796 CG ASN A 50 14.916 3.065 7.558 1.00 0.00 C ATOM 797 OD1 ASN A 50 14.461 2.078 6.978 1.00 0.00 O ATOM 798 ND2 ASN A 50 16.187 3.436 7.449 1.00 0.00 N ATOM 0 H ASN A 50 11.777 5.115 8.482 1.00 0.00 H new ATOM 0 HA ASN A 50 12.618 2.327 8.193 1.00 0.00 H new ATOM 0 HB2 ASN A 50 13.848 4.877 7.948 1.00 0.00 H new ATOM 0 HB3 ASN A 50 14.560 4.144 9.371 1.00 0.00 H new ATOM 0 HD21 ASN A 50 16.828 2.896 6.867 1.00 0.00 H new ATOM 0 HD22 ASN A 50 16.522 4.261 7.947 1.00 0.00 H new ATOM 805 N LYS A 51 11.416 2.813 10.775 1.00 0.00 N ATOM 806 CA LYS A 51 11.214 2.491 12.182 1.00 0.00 C ATOM 807 C LYS A 51 10.434 1.190 12.336 1.00 0.00 C ATOM 808 O LYS A 51 10.771 0.348 13.169 1.00 0.00 O ATOM 809 CB LYS A 51 10.471 3.630 12.886 1.00 0.00 C ATOM 810 CG LYS A 51 11.313 4.880 13.073 1.00 0.00 C ATOM 811 CD LYS A 51 11.596 5.147 14.542 1.00 0.00 C ATOM 812 CE LYS A 51 12.929 4.552 14.968 1.00 0.00 C ATOM 813 NZ LYS A 51 12.813 3.792 16.244 1.00 0.00 N ATOM 0 H LYS A 51 10.554 2.952 10.247 1.00 0.00 H new ATOM 0 HA LYS A 51 12.193 2.364 12.644 1.00 0.00 H new ATOM 0 HB2 LYS A 51 9.582 3.884 12.309 1.00 0.00 H new ATOM 0 HB3 LYS A 51 10.130 3.282 13.861 1.00 0.00 H new ATOM 0 HG2 LYS A 51 12.254 4.770 12.534 1.00 0.00 H new ATOM 0 HG3 LYS A 51 10.796 5.736 12.640 1.00 0.00 H new ATOM 0 HD2 LYS A 51 11.601 6.222 14.723 1.00 0.00 H new ATOM 0 HD3 LYS A 51 10.796 4.725 15.151 1.00 0.00 H new ATOM 0 HE2 LYS A 51 13.299 3.892 14.184 1.00 0.00 H new ATOM 0 HE3 LYS A 51 13.662 5.350 15.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 13.742 3.402 16.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 12.484 4.428 16.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 12.132 3.015 16.125 1.00 0.00 H new ATOM 827 N ILE A 52 9.391 1.032 11.528 1.00 0.00 N ATOM 828 CA ILE A 52 8.566 -0.169 11.572 1.00 0.00 C ATOM 829 C ILE A 52 8.235 -0.662 10.168 1.00 0.00 C ATOM 830 O ILE A 52 8.783 -0.171 9.182 1.00 0.00 O ATOM 831 CB ILE A 52 7.253 0.078 12.339 1.00 0.00 C ATOM 832 CG1 ILE A 52 6.266 0.855 11.466 1.00 0.00 C ATOM 833 CG2 ILE A 52 7.529 0.830 13.633 1.00 0.00 C ATOM 834 CD1 ILE A 52 6.720 2.262 11.145 1.00 0.00 C ATOM 0 H ILE A 52 9.097 1.721 10.835 1.00 0.00 H new ATOM 0 HA ILE A 52 9.146 -0.930 12.094 1.00 0.00 H new ATOM 0 HB ILE A 52 6.808 -0.885 12.589 1.00 0.00 H new ATOM 0 HG12 ILE A 52 6.111 0.311 10.534 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.302 0.900 11.973 1.00 0.00 H new ATOM 0 HG21 ILE A 52 6.592 0.997 14.164 1.00 0.00 H new ATOM 0 HG22 ILE A 52 8.201 0.243 14.259 1.00 0.00 H new ATOM 0 HG23 ILE A 52 7.992 1.790 13.404 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.971 2.753 10.523 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.847 2.823 12.071 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.669 2.225 10.610 1.00 0.00 H new ATOM 846 N ASN A 53 7.336 -1.637 10.085 1.00 0.00 N ATOM 847 CA ASN A 53 6.931 -2.197 8.801 1.00 0.00 C ATOM 848 C ASN A 53 5.728 -1.448 8.236 1.00 0.00 C ATOM 849 O ASN A 53 4.738 -2.059 7.833 1.00 0.00 O ATOM 850 CB ASN A 53 6.597 -3.682 8.950 1.00 0.00 C ATOM 851 CG ASN A 53 7.839 -4.543 9.090 1.00 0.00 C ATOM 852 OD1 ASN A 53 8.963 -4.044 9.039 1.00 0.00 O ATOM 853 ND2 ASN A 53 7.639 -5.844 9.269 1.00 0.00 N ATOM 0 H ASN A 53 6.874 -2.056 10.892 1.00 0.00 H new ATOM 0 HA ASN A 53 7.764 -2.087 8.107 1.00 0.00 H new ATOM 0 HB2 ASN A 53 5.960 -3.823 9.824 1.00 0.00 H new ATOM 0 HB3 ASN A 53 6.025 -4.012 8.083 1.00 0.00 H new ATOM 0 HD21 ASN A 53 8.435 -6.473 9.371 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.689 -6.214 9.305 1.00 0.00 H new ATOM 860 N GLU A 54 5.821 -0.123 8.210 1.00 0.00 N ATOM 861 CA GLU A 54 4.740 0.709 7.695 1.00 0.00 C ATOM 862 C GLU A 54 5.198 1.499 6.472 1.00 0.00 C ATOM 863 O GLU A 54 6.269 2.102 6.474 1.00 0.00 O ATOM 864 CB GLU A 54 4.244 1.668 8.779 1.00 0.00 C ATOM 865 CG GLU A 54 3.165 1.075 9.669 1.00 0.00 C ATOM 866 CD GLU A 54 2.022 2.039 9.923 1.00 0.00 C ATOM 867 OE1 GLU A 54 2.216 3.255 9.714 1.00 0.00 O ATOM 868 OE2 GLU A 54 0.935 1.578 10.329 1.00 0.00 O ATOM 0 H GLU A 54 6.634 0.398 8.540 1.00 0.00 H new ATOM 0 HA GLU A 54 3.921 0.054 7.398 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.088 1.971 9.398 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.857 2.570 8.305 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.775 0.169 9.206 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.606 0.781 10.622 1.00 0.00 H new ATOM 875 N ALA A 55 4.374 1.489 5.428 1.00 0.00 N ATOM 876 CA ALA A 55 4.692 2.205 4.199 1.00 0.00 C ATOM 877 C ALA A 55 3.424 2.673 3.492 1.00 0.00 C ATOM 878 O ALA A 55 2.356 2.086 3.661 1.00 0.00 O ATOM 879 CB ALA A 55 5.520 1.325 3.274 1.00 0.00 C ATOM 0 H ALA A 55 3.483 0.993 5.410 1.00 0.00 H new ATOM 0 HA ALA A 55 5.276 3.087 4.463 1.00 0.00 H new ATOM 0 HB1 ALA A 55 5.750 1.873 2.360 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.448 1.045 3.773 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.956 0.426 3.026 1.00 0.00 H new ATOM 885 N PHE A 56 3.550 3.734 2.702 1.00 0.00 N ATOM 886 CA PHE A 56 2.413 4.282 1.972 1.00 0.00 C ATOM 887 C PHE A 56 2.830 4.730 0.573 1.00 0.00 C ATOM 888 O PHE A 56 3.856 5.388 0.400 1.00 0.00 O ATOM 889 CB PHE A 56 1.809 5.461 2.737 1.00 0.00 C ATOM 890 CG PHE A 56 1.630 5.194 4.204 1.00 0.00 C ATOM 891 CD1 PHE A 56 2.692 5.339 5.083 1.00 0.00 C ATOM 892 CD2 PHE A 56 0.401 4.798 4.705 1.00 0.00 C ATOM 893 CE1 PHE A 56 2.531 5.096 6.433 1.00 0.00 C ATOM 894 CE2 PHE A 56 0.234 4.553 6.055 1.00 0.00 C ATOM 895 CZ PHE A 56 1.301 4.700 6.920 1.00 0.00 C ATOM 0 H PHE A 56 4.428 4.231 2.551 1.00 0.00 H new ATOM 0 HA PHE A 56 1.663 3.497 1.876 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.450 6.333 2.610 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.842 5.710 2.300 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.657 5.646 4.708 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -0.436 4.679 4.033 1.00 0.00 H new ATOM 0 HE1 PHE A 56 3.366 5.216 7.107 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -0.730 4.247 6.433 1.00 0.00 H new ATOM 0 HZ PHE A 56 1.173 4.506 7.975 1.00 0.00 H new ATOM 905 N ILE A 57 2.027 4.366 -0.421 1.00 0.00 N ATOM 906 CA ILE A 57 2.311 4.730 -1.804 1.00 0.00 C ATOM 907 C ILE A 57 1.228 5.646 -2.366 1.00 0.00 C ATOM 908 O ILE A 57 0.038 5.407 -2.170 1.00 0.00 O ATOM 909 CB ILE A 57 2.430 3.483 -2.701 1.00 0.00 C ATOM 910 CG1 ILE A 57 3.690 2.691 -2.348 1.00 0.00 C ATOM 911 CG2 ILE A 57 2.444 3.887 -4.168 1.00 0.00 C ATOM 912 CD1 ILE A 57 3.568 1.209 -2.619 1.00 0.00 C ATOM 0 H ILE A 57 1.175 3.820 -0.295 1.00 0.00 H new ATOM 0 HA ILE A 57 3.264 5.258 -1.802 1.00 0.00 H new ATOM 0 HB ILE A 57 1.564 2.844 -2.528 1.00 0.00 H new ATOM 0 HG12 ILE A 57 4.530 3.088 -2.917 1.00 0.00 H new ATOM 0 HG13 ILE A 57 3.920 2.841 -1.293 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.528 2.996 -4.790 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.520 4.412 -4.410 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.294 4.543 -4.357 1.00 0.00 H new ATOM 0 HD11 ILE A 57 4.498 0.711 -2.345 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.749 0.797 -2.029 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.369 1.048 -3.678 1.00 0.00 H new ATOM 924 N GLU A 58 1.653 6.694 -3.065 1.00 0.00 N ATOM 925 CA GLU A 58 0.718 7.645 -3.655 1.00 0.00 C ATOM 926 C GLU A 58 0.644 7.467 -5.169 1.00 0.00 C ATOM 927 O GLU A 58 1.649 7.593 -5.868 1.00 0.00 O ATOM 928 CB GLU A 58 1.133 9.079 -3.319 1.00 0.00 C ATOM 929 CG GLU A 58 0.116 10.124 -3.744 1.00 0.00 C ATOM 930 CD GLU A 58 0.695 11.525 -3.773 1.00 0.00 C ATOM 931 OE1 GLU A 58 1.428 11.883 -2.827 1.00 0.00 O ATOM 932 OE2 GLU A 58 0.415 12.262 -4.740 1.00 0.00 O ATOM 0 H GLU A 58 2.636 6.906 -3.236 1.00 0.00 H new ATOM 0 HA GLU A 58 -0.269 7.453 -3.235 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.295 9.159 -2.244 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.086 9.295 -3.802 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.266 9.872 -4.733 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.732 10.100 -3.059 1.00 0.00 H new ATOM 939 N MET A 59 -0.552 7.173 -5.667 1.00 0.00 N ATOM 940 CA MET A 59 -0.757 6.978 -7.098 1.00 0.00 C ATOM 941 C MET A 59 -1.152 8.288 -7.774 1.00 0.00 C ATOM 942 O MET A 59 -1.633 9.213 -7.121 1.00 0.00 O ATOM 943 CB MET A 59 -1.835 5.920 -7.340 1.00 0.00 C ATOM 944 CG MET A 59 -1.533 4.583 -6.684 1.00 0.00 C ATOM 945 SD MET A 59 -0.019 3.828 -7.310 1.00 0.00 S ATOM 946 CE MET A 59 -0.590 3.175 -8.878 1.00 0.00 C ATOM 0 H MET A 59 -1.394 7.064 -5.102 1.00 0.00 H new ATOM 0 HA MET A 59 0.182 6.635 -7.532 1.00 0.00 H new ATOM 0 HB2 MET A 59 -2.788 6.292 -6.965 1.00 0.00 H new ATOM 0 HB3 MET A 59 -1.951 5.771 -8.413 1.00 0.00 H new ATOM 0 HG2 MET A 59 -1.446 4.723 -5.607 1.00 0.00 H new ATOM 0 HG3 MET A 59 -2.369 3.904 -6.851 1.00 0.00 H new ATOM 0 HE1 MET A 59 0.239 2.692 -9.395 1.00 0.00 H new ATOM 0 HE2 MET A 59 -1.382 2.447 -8.702 1.00 0.00 H new ATOM 0 HE3 MET A 59 -0.976 3.989 -9.492 1.00 0.00 H new ATOM 956 N ALA A 60 -0.943 8.357 -9.085 1.00 0.00 N ATOM 957 CA ALA A 60 -1.279 9.552 -9.849 1.00 0.00 C ATOM 958 C ALA A 60 -2.789 9.762 -9.905 1.00 0.00 C ATOM 959 O ALA A 60 -3.267 10.894 -9.981 1.00 0.00 O ATOM 960 CB ALA A 60 -0.705 9.459 -11.255 1.00 0.00 C ATOM 0 H ALA A 60 -0.543 7.600 -9.639 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.837 10.411 -9.344 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.964 10.358 -11.814 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.380 9.366 -11.200 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.119 8.586 -11.760 1.00 0.00 H new ATOM 966 N THR A 61 -3.536 8.663 -9.869 1.00 0.00 N ATOM 967 CA THR A 61 -4.991 8.727 -9.918 1.00 0.00 C ATOM 968 C THR A 61 -5.617 7.722 -8.957 1.00 0.00 C ATOM 969 O THR A 61 -5.225 6.556 -8.919 1.00 0.00 O ATOM 970 CB THR A 61 -5.518 8.457 -11.340 1.00 0.00 C ATOM 971 OG1 THR A 61 -5.135 7.144 -11.763 1.00 0.00 O ATOM 972 CG2 THR A 61 -4.980 9.489 -12.320 1.00 0.00 C ATOM 0 H THR A 61 -3.157 7.718 -9.806 1.00 0.00 H new ATOM 0 HA THR A 61 -5.274 9.737 -9.620 1.00 0.00 H new ATOM 0 HB THR A 61 -6.605 8.529 -11.321 1.00 0.00 H new ATOM 0 HG1 THR A 61 -4.248 6.930 -11.404 1.00 0.00 H new ATOM 0 HG21 THR A 61 -5.365 9.279 -13.318 1.00 0.00 H new ATOM 0 HG22 THR A 61 -5.298 10.485 -12.011 1.00 0.00 H new ATOM 0 HG23 THR A 61 -3.891 9.444 -12.335 1.00 0.00 H new ATOM 980 N THR A 62 -6.595 8.181 -8.182 1.00 0.00 N ATOM 981 CA THR A 62 -7.277 7.323 -7.221 1.00 0.00 C ATOM 982 C THR A 62 -7.791 6.052 -7.887 1.00 0.00 C ATOM 983 O THR A 62 -8.120 5.077 -7.213 1.00 0.00 O ATOM 984 CB THR A 62 -8.457 8.053 -6.554 1.00 0.00 C ATOM 985 OG1 THR A 62 -9.251 7.123 -5.810 1.00 0.00 O ATOM 986 CG2 THR A 62 -9.323 8.747 -7.595 1.00 0.00 C ATOM 0 H THR A 62 -6.933 9.143 -8.201 1.00 0.00 H new ATOM 0 HA THR A 62 -6.545 7.059 -6.458 1.00 0.00 H new ATOM 0 HB THR A 62 -8.053 8.807 -5.879 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.138 7.290 -4.851 1.00 0.00 H new ATOM 0 HG21 THR A 62 -10.150 9.256 -7.100 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.723 9.476 -8.140 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.717 8.007 -8.292 1.00 0.00 H new ATOM 994 N GLU A 63 -7.856 6.069 -9.215 1.00 0.00 N ATOM 995 CA GLU A 63 -8.331 4.916 -9.971 1.00 0.00 C ATOM 996 C GLU A 63 -7.356 3.748 -9.850 1.00 0.00 C ATOM 997 O GLU A 63 -7.755 2.585 -9.918 1.00 0.00 O ATOM 998 CB GLU A 63 -8.519 5.287 -11.444 1.00 0.00 C ATOM 999 CG GLU A 63 -9.773 6.103 -11.710 1.00 0.00 C ATOM 1000 CD GLU A 63 -11.045 5.311 -11.481 1.00 0.00 C ATOM 1001 OE1 GLU A 63 -11.495 5.232 -10.319 1.00 0.00 O ATOM 1002 OE2 GLU A 63 -11.590 4.767 -12.465 1.00 0.00 O ATOM 0 H GLU A 63 -7.586 6.868 -9.789 1.00 0.00 H new ATOM 0 HA GLU A 63 -9.291 4.611 -9.555 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.650 5.851 -11.782 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -8.557 4.374 -12.038 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -9.775 6.980 -11.063 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -9.755 6.465 -12.738 1.00 0.00 H new ATOM 1009 N ASP A 64 -6.079 4.066 -9.671 1.00 0.00 N ATOM 1010 CA ASP A 64 -5.048 3.044 -9.540 1.00 0.00 C ATOM 1011 C ASP A 64 -5.021 2.477 -8.124 1.00 0.00 C ATOM 1012 O ASP A 64 -5.256 1.287 -7.916 1.00 0.00 O ATOM 1013 CB ASP A 64 -3.677 3.623 -9.897 1.00 0.00 C ATOM 1014 CG ASP A 64 -3.710 4.441 -11.173 1.00 0.00 C ATOM 1015 OD1 ASP A 64 -4.443 4.056 -12.106 1.00 0.00 O ATOM 1016 OD2 ASP A 64 -3.001 5.468 -11.237 1.00 0.00 O ATOM 0 H ASP A 64 -5.733 5.024 -9.613 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.284 2.235 -10.232 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.325 4.248 -9.077 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.960 2.810 -10.008 1.00 0.00 H new ATOM 1021 N ALA A 65 -4.731 3.337 -7.153 1.00 0.00 N ATOM 1022 CA ALA A 65 -4.675 2.922 -5.757 1.00 0.00 C ATOM 1023 C ALA A 65 -5.886 2.073 -5.387 1.00 0.00 C ATOM 1024 O ALA A 65 -5.744 0.976 -4.848 1.00 0.00 O ATOM 1025 CB ALA A 65 -4.585 4.140 -4.848 1.00 0.00 C ATOM 0 H ALA A 65 -4.531 4.325 -7.308 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.782 2.312 -5.621 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.544 3.816 -3.808 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.685 4.707 -5.087 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -5.461 4.771 -4.997 1.00 0.00 H new ATOM 1031 N GLN A 66 -7.076 2.588 -5.679 1.00 0.00 N ATOM 1032 CA GLN A 66 -8.312 1.875 -5.375 1.00 0.00 C ATOM 1033 C GLN A 66 -8.276 0.459 -5.941 1.00 0.00 C ATOM 1034 O GLN A 66 -8.710 -0.490 -5.289 1.00 0.00 O ATOM 1035 CB GLN A 66 -9.514 2.633 -5.941 1.00 0.00 C ATOM 1036 CG GLN A 66 -9.905 3.853 -5.122 1.00 0.00 C ATOM 1037 CD GLN A 66 -11.301 4.349 -5.442 1.00 0.00 C ATOM 1038 OE1 GLN A 66 -12.196 3.562 -5.751 1.00 0.00 O ATOM 1039 NE2 GLN A 66 -11.495 5.660 -5.370 1.00 0.00 N ATOM 0 H GLN A 66 -7.211 3.495 -6.125 1.00 0.00 H new ATOM 0 HA GLN A 66 -8.409 1.811 -4.291 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -9.288 2.947 -6.960 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -10.366 1.956 -5.998 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -9.845 3.608 -4.062 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -9.188 4.654 -5.305 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -10.725 6.276 -5.110 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -12.414 6.052 -5.575 1.00 0.00 H new ATOM 1048 N ALA A 67 -7.758 0.326 -7.157 1.00 0.00 N ATOM 1049 CA ALA A 67 -7.665 -0.975 -7.809 1.00 0.00 C ATOM 1050 C ALA A 67 -6.686 -1.887 -7.077 1.00 0.00 C ATOM 1051 O ALA A 67 -6.955 -3.073 -6.885 1.00 0.00 O ATOM 1052 CB ALA A 67 -7.248 -0.808 -9.262 1.00 0.00 C ATOM 0 H ALA A 67 -7.396 1.102 -7.711 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.650 -1.442 -7.776 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.182 -1.787 -9.737 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.986 -0.200 -9.785 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.276 -0.317 -9.307 1.00 0.00 H new ATOM 1058 N ALA A 68 -5.552 -1.326 -6.671 1.00 0.00 N ATOM 1059 CA ALA A 68 -4.535 -2.090 -5.959 1.00 0.00 C ATOM 1060 C ALA A 68 -5.115 -2.751 -4.714 1.00 0.00 C ATOM 1061 O ALA A 68 -4.690 -3.835 -4.319 1.00 0.00 O ATOM 1062 CB ALA A 68 -3.366 -1.190 -5.587 1.00 0.00 C ATOM 0 H ALA A 68 -5.314 -0.346 -6.823 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.177 -2.878 -6.621 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.613 -1.772 -5.056 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.928 -0.770 -6.492 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.719 -0.382 -4.946 1.00 0.00 H new ATOM 1068 N VAL A 69 -6.090 -2.089 -4.099 1.00 0.00 N ATOM 1069 CA VAL A 69 -6.730 -2.613 -2.898 1.00 0.00 C ATOM 1070 C VAL A 69 -7.667 -3.768 -3.234 1.00 0.00 C ATOM 1071 O VAL A 69 -7.731 -4.759 -2.506 1.00 0.00 O ATOM 1072 CB VAL A 69 -7.526 -1.518 -2.163 1.00 0.00 C ATOM 1073 CG1 VAL A 69 -8.278 -2.108 -0.980 1.00 0.00 C ATOM 1074 CG2 VAL A 69 -6.600 -0.398 -1.712 1.00 0.00 C ATOM 0 H VAL A 69 -6.454 -1.189 -4.413 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.934 -2.973 -2.246 1.00 0.00 H new ATOM 0 HB VAL A 69 -8.257 -1.098 -2.854 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.835 -1.320 -0.473 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -8.971 -2.872 -1.333 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.568 -2.556 -0.285 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -7.179 0.367 -1.195 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.845 -0.800 -1.037 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.112 0.043 -2.581 1.00 0.00 H new ATOM 1084 N ASP A 70 -8.391 -3.633 -4.339 1.00 0.00 N ATOM 1085 CA ASP A 70 -9.323 -4.667 -4.773 1.00 0.00 C ATOM 1086 C ASP A 70 -8.585 -5.959 -5.107 1.00 0.00 C ATOM 1087 O ASP A 70 -9.201 -7.012 -5.275 1.00 0.00 O ATOM 1088 CB ASP A 70 -10.117 -4.189 -5.990 1.00 0.00 C ATOM 1089 CG ASP A 70 -11.572 -4.612 -5.936 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -12.219 -4.381 -4.893 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -12.064 -5.178 -6.935 1.00 0.00 O ATOM 0 H ASP A 70 -8.351 -2.818 -4.951 1.00 0.00 H new ATOM 0 HA ASP A 70 -10.013 -4.866 -3.953 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -10.060 -3.102 -6.053 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -9.660 -4.585 -6.897 1.00 0.00 H new ATOM 1096 N TYR A 71 -7.264 -5.873 -5.201 1.00 0.00 N ATOM 1097 CA TYR A 71 -6.442 -7.034 -5.518 1.00 0.00 C ATOM 1098 C TYR A 71 -6.053 -7.789 -4.251 1.00 0.00 C ATOM 1099 O TYR A 71 -5.592 -8.929 -4.311 1.00 0.00 O ATOM 1100 CB TYR A 71 -5.184 -6.604 -6.275 1.00 0.00 C ATOM 1101 CG TYR A 71 -4.364 -7.763 -6.796 1.00 0.00 C ATOM 1102 CD1 TYR A 71 -4.621 -8.314 -8.046 1.00 0.00 C ATOM 1103 CD2 TYR A 71 -3.333 -8.307 -6.040 1.00 0.00 C ATOM 1104 CE1 TYR A 71 -3.876 -9.373 -8.526 1.00 0.00 C ATOM 1105 CE2 TYR A 71 -2.583 -9.366 -6.513 1.00 0.00 C ATOM 1106 CZ TYR A 71 -2.858 -9.895 -7.756 1.00 0.00 C ATOM 1107 OH TYR A 71 -2.112 -10.949 -8.231 1.00 0.00 O ATOM 0 H TYR A 71 -6.738 -5.010 -5.062 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.029 -7.700 -6.151 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.473 -5.969 -7.113 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -4.563 -5.998 -5.616 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -5.417 -7.907 -8.652 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -3.114 -7.895 -5.066 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -4.089 -9.790 -9.499 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -1.785 -9.777 -5.912 1.00 0.00 H new ATOM 0 HH TYR A 71 -1.435 -11.196 -7.567 1.00 0.00 H new ATOM 1117 N TYR A 72 -6.245 -7.146 -3.105 1.00 0.00 N ATOM 1118 CA TYR A 72 -5.915 -7.754 -1.821 1.00 0.00 C ATOM 1119 C TYR A 72 -7.135 -8.437 -1.212 1.00 0.00 C ATOM 1120 O TYR A 72 -7.015 -9.240 -0.286 1.00 0.00 O ATOM 1121 CB TYR A 72 -5.371 -6.698 -0.857 1.00 0.00 C ATOM 1122 CG TYR A 72 -5.737 -6.952 0.587 1.00 0.00 C ATOM 1123 CD1 TYR A 72 -4.956 -7.779 1.387 1.00 0.00 C ATOM 1124 CD2 TYR A 72 -6.863 -6.368 1.154 1.00 0.00 C ATOM 1125 CE1 TYR A 72 -5.287 -8.015 2.708 1.00 0.00 C ATOM 1126 CE2 TYR A 72 -7.200 -6.596 2.473 1.00 0.00 C ATOM 1127 CZ TYR A 72 -6.408 -7.420 3.246 1.00 0.00 C ATOM 1128 OH TYR A 72 -6.742 -7.652 4.561 1.00 0.00 O ATOM 0 H TYR A 72 -6.628 -6.203 -3.039 1.00 0.00 H new ATOM 0 HA TYR A 72 -5.147 -8.509 -1.992 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -4.285 -6.661 -0.947 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -5.749 -5.719 -1.152 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -4.076 -8.245 0.969 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -7.486 -5.724 0.552 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -4.671 -8.662 3.315 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -8.078 -6.132 2.897 1.00 0.00 H new ATOM 0 HH TYR A 72 -7.558 -7.157 4.783 1.00 0.00 H new ATOM 1138 N THR A 73 -8.312 -8.110 -1.738 1.00 0.00 N ATOM 1139 CA THR A 73 -9.555 -8.690 -1.246 1.00 0.00 C ATOM 1140 C THR A 73 -9.899 -9.971 -1.996 1.00 0.00 C ATOM 1141 O THR A 73 -10.470 -10.903 -1.427 1.00 0.00 O ATOM 1142 CB THR A 73 -10.728 -7.699 -1.379 1.00 0.00 C ATOM 1143 OG1 THR A 73 -11.790 -8.076 -0.496 1.00 0.00 O ATOM 1144 CG2 THR A 73 -11.242 -7.659 -2.811 1.00 0.00 C ATOM 0 H THR A 73 -8.430 -7.447 -2.504 1.00 0.00 H new ATOM 0 HA THR A 73 -9.401 -8.920 -0.192 1.00 0.00 H new ATOM 0 HB THR A 73 -10.368 -6.706 -1.111 1.00 0.00 H new ATOM 0 HG1 THR A 73 -12.531 -7.441 -0.585 1.00 0.00 H new ATOM 0 HG21 THR A 73 -12.070 -6.953 -2.881 1.00 0.00 H new ATOM 0 HG22 THR A 73 -10.439 -7.344 -3.477 1.00 0.00 H new ATOM 0 HG23 THR A 73 -11.586 -8.651 -3.102 1.00 0.00 H new ATOM 1152 N THR A 74 -9.549 -10.013 -3.278 1.00 0.00 N ATOM 1153 CA THR A 74 -9.820 -11.181 -4.107 1.00 0.00 C ATOM 1154 C THR A 74 -8.585 -12.066 -4.233 1.00 0.00 C ATOM 1155 O THR A 74 -8.685 -13.245 -4.573 1.00 0.00 O ATOM 1156 CB THR A 74 -10.292 -10.773 -5.515 1.00 0.00 C ATOM 1157 OG1 THR A 74 -9.259 -10.040 -6.184 1.00 0.00 O ATOM 1158 CG2 THR A 74 -11.553 -9.926 -5.440 1.00 0.00 C ATOM 0 H THR A 74 -9.077 -9.251 -3.765 1.00 0.00 H new ATOM 0 HA THR A 74 -10.615 -11.741 -3.614 1.00 0.00 H new ATOM 0 HB THR A 74 -10.516 -11.680 -6.076 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.270 -9.108 -5.881 1.00 0.00 H new ATOM 0 HG21 THR A 74 -11.867 -9.650 -6.447 1.00 0.00 H new ATOM 0 HG22 THR A 74 -12.346 -10.496 -4.956 1.00 0.00 H new ATOM 0 HG23 THR A 74 -11.351 -9.023 -4.863 1.00 0.00 H new ATOM 1166 N THR A 75 -7.419 -11.489 -3.956 1.00 0.00 N ATOM 1167 CA THR A 75 -6.165 -12.225 -4.040 1.00 0.00 C ATOM 1168 C THR A 75 -5.269 -11.921 -2.843 1.00 0.00 C ATOM 1169 O THR A 75 -5.161 -10.782 -2.392 1.00 0.00 O ATOM 1170 CB THR A 75 -5.402 -11.890 -5.335 1.00 0.00 C ATOM 1171 OG1 THR A 75 -6.172 -12.290 -6.475 1.00 0.00 O ATOM 1172 CG2 THR A 75 -4.049 -12.586 -5.362 1.00 0.00 C ATOM 0 H THR A 75 -7.318 -10.515 -3.672 1.00 0.00 H new ATOM 0 HA THR A 75 -6.420 -13.285 -4.041 1.00 0.00 H new ATOM 0 HB THR A 75 -5.240 -10.813 -5.366 1.00 0.00 H new ATOM 0 HG1 THR A 75 -5.681 -12.072 -7.294 1.00 0.00 H new ATOM 0 HG21 THR A 75 -3.529 -12.334 -6.286 1.00 0.00 H new ATOM 0 HG22 THR A 75 -3.454 -12.258 -4.510 1.00 0.00 H new ATOM 0 HG23 THR A 75 -4.194 -13.665 -5.310 1.00 0.00 H new ATOM 1180 N PRO A 76 -4.611 -12.965 -2.317 1.00 0.00 N ATOM 1181 CA PRO A 76 -3.711 -12.834 -1.166 1.00 0.00 C ATOM 1182 C PRO A 76 -2.434 -12.077 -1.512 1.00 0.00 C ATOM 1183 O PRO A 76 -1.681 -12.482 -2.398 1.00 0.00 O ATOM 1184 CB PRO A 76 -3.390 -14.285 -0.800 1.00 0.00 C ATOM 1185 CG PRO A 76 -3.581 -15.047 -2.067 1.00 0.00 C ATOM 1186 CD PRO A 76 -4.693 -14.352 -2.804 1.00 0.00 C ATOM 0 HA PRO A 76 -4.167 -12.266 -0.355 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -2.370 -14.383 -0.429 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -4.051 -14.651 -0.015 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -2.666 -15.056 -2.659 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -3.838 -16.086 -1.862 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -4.555 -14.407 -3.884 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.662 -14.799 -2.583 1.00 0.00 H new ATOM 1194 N ALA A 77 -2.195 -10.976 -0.808 1.00 0.00 N ATOM 1195 CA ALA A 77 -1.007 -10.164 -1.039 1.00 0.00 C ATOM 1196 C ALA A 77 0.173 -10.671 -0.218 1.00 0.00 C ATOM 1197 O ALA A 77 0.394 -10.230 0.910 1.00 0.00 O ATOM 1198 CB ALA A 77 -1.293 -8.706 -0.711 1.00 0.00 C ATOM 0 H ALA A 77 -2.809 -10.626 -0.072 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.742 -10.243 -2.093 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.397 -8.111 -0.888 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.102 -8.342 -1.345 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.585 -8.619 0.335 1.00 0.00 H new ATOM 1204 N LEU A 78 0.930 -11.602 -0.791 1.00 0.00 N ATOM 1205 CA LEU A 78 2.089 -12.170 -0.112 1.00 0.00 C ATOM 1206 C LEU A 78 3.358 -11.400 -0.463 1.00 0.00 C ATOM 1207 O LEU A 78 3.865 -11.496 -1.581 1.00 0.00 O ATOM 1208 CB LEU A 78 2.251 -13.644 -0.487 1.00 0.00 C ATOM 1209 CG LEU A 78 1.116 -14.575 -0.061 1.00 0.00 C ATOM 1210 CD1 LEU A 78 1.476 -16.023 -0.351 1.00 0.00 C ATOM 1211 CD2 LEU A 78 0.796 -14.387 1.414 1.00 0.00 C ATOM 0 H LEU A 78 0.761 -11.979 -1.724 1.00 0.00 H new ATOM 0 HA LEU A 78 1.925 -12.091 0.963 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.363 -13.712 -1.569 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.179 -14.010 -0.047 1.00 0.00 H new ATOM 0 HG LEU A 78 0.228 -14.321 -0.639 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.656 -16.671 -0.041 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.653 -16.147 -1.419 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.378 -16.291 0.199 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.014 -15.058 1.699 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.680 -14.613 2.010 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.492 -13.355 1.592 1.00 0.00 H new ATOM 1223 N VAL A 79 3.868 -10.639 0.500 1.00 0.00 N ATOM 1224 CA VAL A 79 5.079 -9.855 0.294 1.00 0.00 C ATOM 1225 C VAL A 79 6.314 -10.619 0.762 1.00 0.00 C ATOM 1226 O VAL A 79 6.421 -10.990 1.931 1.00 0.00 O ATOM 1227 CB VAL A 79 5.010 -8.508 1.037 1.00 0.00 C ATOM 1228 CG1 VAL A 79 6.347 -7.786 0.960 1.00 0.00 C ATOM 1229 CG2 VAL A 79 3.895 -7.644 0.469 1.00 0.00 C ATOM 0 H VAL A 79 3.461 -10.549 1.431 1.00 0.00 H new ATOM 0 HA VAL A 79 5.155 -9.666 -0.777 1.00 0.00 H new ATOM 0 HB VAL A 79 4.790 -8.702 2.087 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.279 -6.836 1.491 1.00 0.00 H new ATOM 0 HG12 VAL A 79 7.120 -8.403 1.418 1.00 0.00 H new ATOM 0 HG13 VAL A 79 6.601 -7.601 -0.084 1.00 0.00 H new ATOM 0 HG21 VAL A 79 3.860 -6.696 1.006 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.083 -7.456 -0.588 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.941 -8.160 0.582 1.00 0.00 H new ATOM 1239 N PHE A 80 7.244 -10.850 -0.158 1.00 0.00 N ATOM 1240 CA PHE A 80 8.471 -11.570 0.160 1.00 0.00 C ATOM 1241 C PHE A 80 8.173 -13.024 0.516 1.00 0.00 C ATOM 1242 O PHE A 80 9.069 -13.777 0.894 1.00 0.00 O ATOM 1243 CB PHE A 80 9.201 -10.889 1.319 1.00 0.00 C ATOM 1244 CG PHE A 80 10.337 -10.011 0.879 1.00 0.00 C ATOM 1245 CD1 PHE A 80 11.284 -10.478 -0.019 1.00 0.00 C ATOM 1246 CD2 PHE A 80 10.460 -8.719 1.364 1.00 0.00 C ATOM 1247 CE1 PHE A 80 12.331 -9.673 -0.427 1.00 0.00 C ATOM 1248 CE2 PHE A 80 11.504 -7.908 0.959 1.00 0.00 C ATOM 1249 CZ PHE A 80 12.441 -8.386 0.065 1.00 0.00 C ATOM 0 H PHE A 80 7.171 -10.549 -1.130 1.00 0.00 H new ATOM 0 HA PHE A 80 9.110 -11.555 -0.723 1.00 0.00 H new ATOM 0 HB2 PHE A 80 8.488 -10.290 1.885 1.00 0.00 H new ATOM 0 HB3 PHE A 80 9.584 -11.653 1.996 1.00 0.00 H new ATOM 0 HD1 PHE A 80 11.203 -11.483 -0.405 1.00 0.00 H new ATOM 0 HD2 PHE A 80 9.732 -8.341 2.067 1.00 0.00 H new ATOM 0 HE1 PHE A 80 13.061 -10.049 -1.128 1.00 0.00 H new ATOM 0 HE2 PHE A 80 11.586 -6.901 1.342 1.00 0.00 H new ATOM 0 HZ PHE A 80 13.259 -7.755 -0.250 1.00 0.00 H new ATOM 1259 N GLY A 81 6.907 -13.409 0.392 1.00 0.00 N ATOM 1260 CA GLY A 81 6.512 -14.769 0.705 1.00 0.00 C ATOM 1261 C GLY A 81 5.514 -14.837 1.845 1.00 0.00 C ATOM 1262 O GLY A 81 4.816 -15.837 2.012 1.00 0.00 O ATOM 0 H GLY A 81 6.148 -12.803 0.080 1.00 0.00 H new ATOM 0 HA2 GLY A 81 6.078 -15.231 -0.182 1.00 0.00 H new ATOM 0 HA3 GLY A 81 7.397 -15.350 0.966 1.00 0.00 H new ATOM 1266 N LYS A 82 5.448 -13.769 2.633 1.00 0.00 N ATOM 1267 CA LYS A 82 4.529 -13.710 3.764 1.00 0.00 C ATOM 1268 C LYS A 82 3.354 -12.785 3.462 1.00 0.00 C ATOM 1269 O LYS A 82 3.458 -11.848 2.671 1.00 0.00 O ATOM 1270 CB LYS A 82 5.263 -13.228 5.018 1.00 0.00 C ATOM 1271 CG LYS A 82 6.283 -12.137 4.744 1.00 0.00 C ATOM 1272 CD LYS A 82 7.584 -12.711 4.210 1.00 0.00 C ATOM 1273 CE LYS A 82 8.773 -12.279 5.055 1.00 0.00 C ATOM 1274 NZ LYS A 82 9.945 -13.177 4.863 1.00 0.00 N ATOM 0 H LYS A 82 6.019 -12.933 2.509 1.00 0.00 H new ATOM 0 HA LYS A 82 4.142 -14.714 3.940 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.532 -12.858 5.737 1.00 0.00 H new ATOM 0 HB3 LYS A 82 5.766 -14.076 5.483 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.874 -11.428 4.024 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.479 -11.582 5.661 1.00 0.00 H new ATOM 0 HD2 LYS A 82 7.524 -13.799 4.195 1.00 0.00 H new ATOM 0 HD3 LYS A 82 7.731 -12.385 3.180 1.00 0.00 H new ATOM 0 HE2 LYS A 82 9.051 -11.258 4.795 1.00 0.00 H new ATOM 0 HE3 LYS A 82 8.488 -12.274 6.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 10.734 -12.849 5.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 9.687 -14.147 5.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 10.233 -13.163 3.864 1.00 0.00 H new ATOM 1288 N PRO A 83 2.209 -13.053 4.108 1.00 0.00 N ATOM 1289 CA PRO A 83 0.993 -12.255 3.926 1.00 0.00 C ATOM 1290 C PRO A 83 1.121 -10.859 4.528 1.00 0.00 C ATOM 1291 O PRO A 83 1.869 -10.650 5.483 1.00 0.00 O ATOM 1292 CB PRO A 83 -0.076 -13.062 4.669 1.00 0.00 C ATOM 1293 CG PRO A 83 0.681 -13.843 5.687 1.00 0.00 C ATOM 1294 CD PRO A 83 2.013 -14.155 5.065 1.00 0.00 C ATOM 0 HA PRO A 83 0.767 -12.091 2.872 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -0.811 -12.408 5.138 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -0.620 -13.719 3.990 1.00 0.00 H new ATOM 0 HG2 PRO A 83 0.804 -13.270 6.606 1.00 0.00 H new ATOM 0 HG3 PRO A 83 0.150 -14.758 5.951 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.807 -14.186 5.811 1.00 0.00 H new ATOM 0 HD3 PRO A 83 2.006 -15.124 4.566 1.00 0.00 H new ATOM 1302 N VAL A 84 0.385 -9.907 3.963 1.00 0.00 N ATOM 1303 CA VAL A 84 0.413 -8.531 4.445 1.00 0.00 C ATOM 1304 C VAL A 84 -0.966 -7.888 4.358 1.00 0.00 C ATOM 1305 O VAL A 84 -1.940 -8.535 3.969 1.00 0.00 O ATOM 1306 CB VAL A 84 1.416 -7.678 3.645 1.00 0.00 C ATOM 1307 CG1 VAL A 84 2.801 -8.307 3.681 1.00 0.00 C ATOM 1308 CG2 VAL A 84 0.939 -7.499 2.212 1.00 0.00 C ATOM 0 H VAL A 84 -0.238 -10.064 3.171 1.00 0.00 H new ATOM 0 HA VAL A 84 0.727 -8.568 5.488 1.00 0.00 H new ATOM 0 HB VAL A 84 1.479 -6.693 4.108 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.496 -7.690 3.111 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.142 -8.377 4.714 1.00 0.00 H new ATOM 0 HG13 VAL A 84 2.759 -9.305 3.244 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.660 -6.894 1.662 1.00 0.00 H new ATOM 0 HG22 VAL A 84 0.845 -8.475 1.735 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.030 -7.000 2.211 1.00 0.00 H new ATOM 1318 N ARG A 85 -1.043 -6.612 4.722 1.00 0.00 N ATOM 1319 CA ARG A 85 -2.304 -5.882 4.685 1.00 0.00 C ATOM 1320 C ARG A 85 -2.237 -4.730 3.687 1.00 0.00 C ATOM 1321 O ARG A 85 -1.235 -4.020 3.608 1.00 0.00 O ATOM 1322 CB ARG A 85 -2.648 -5.346 6.077 1.00 0.00 C ATOM 1323 CG ARG A 85 -3.472 -6.311 6.914 1.00 0.00 C ATOM 1324 CD ARG A 85 -4.646 -5.607 7.578 1.00 0.00 C ATOM 1325 NE ARG A 85 -4.278 -5.023 8.864 1.00 0.00 N ATOM 1326 CZ ARG A 85 -4.248 -5.709 10.002 1.00 0.00 C ATOM 1327 NH1 ARG A 85 -4.563 -6.997 10.011 1.00 0.00 N ATOM 1328 NH2 ARG A 85 -3.902 -5.106 11.132 1.00 0.00 N ATOM 0 H ARG A 85 -0.247 -6.063 5.046 1.00 0.00 H new ATOM 0 HA ARG A 85 -3.085 -6.572 4.365 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -1.724 -5.116 6.607 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -3.196 -4.410 5.971 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -3.840 -7.120 6.283 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -2.839 -6.765 7.677 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -5.019 -4.824 6.918 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -5.460 -6.317 7.722 1.00 0.00 H new ATOM 0 HE ARG A 85 -4.030 -4.034 8.891 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -4.829 -7.463 9.144 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -4.539 -7.522 10.885 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -3.659 -4.115 11.128 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -3.879 -5.633 12.005 1.00 0.00 H new ATOM 1342 N VAL A 86 -3.311 -4.552 2.924 1.00 0.00 N ATOM 1343 CA VAL A 86 -3.375 -3.487 1.931 1.00 0.00 C ATOM 1344 C VAL A 86 -4.636 -2.648 2.104 1.00 0.00 C ATOM 1345 O VAL A 86 -5.749 -3.134 1.904 1.00 0.00 O ATOM 1346 CB VAL A 86 -3.340 -4.052 0.499 1.00 0.00 C ATOM 1347 CG1 VAL A 86 -3.650 -2.961 -0.514 1.00 0.00 C ATOM 1348 CG2 VAL A 86 -1.989 -4.690 0.211 1.00 0.00 C ATOM 0 H VAL A 86 -4.149 -5.132 2.975 1.00 0.00 H new ATOM 0 HA VAL A 86 -2.499 -2.857 2.087 1.00 0.00 H new ATOM 0 HB VAL A 86 -4.106 -4.822 0.413 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.621 -3.380 -1.520 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.642 -2.555 -0.319 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -2.909 -2.166 -0.430 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.982 -5.084 -0.805 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.204 -3.942 0.315 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.812 -5.502 0.916 1.00 0.00 H new ATOM 1358 N HIS A 87 -4.454 -1.385 2.476 1.00 0.00 N ATOM 1359 CA HIS A 87 -5.578 -0.477 2.675 1.00 0.00 C ATOM 1360 C HIS A 87 -5.445 0.755 1.786 1.00 0.00 C ATOM 1361 O HIS A 87 -4.382 1.013 1.220 1.00 0.00 O ATOM 1362 CB HIS A 87 -5.666 -0.056 4.142 1.00 0.00 C ATOM 1363 CG HIS A 87 -5.926 -1.195 5.078 1.00 0.00 C ATOM 1364 ND1 HIS A 87 -5.604 -1.156 6.419 1.00 0.00 N ATOM 1365 CD2 HIS A 87 -6.482 -2.410 4.862 1.00 0.00 C ATOM 1366 CE1 HIS A 87 -5.950 -2.298 6.986 1.00 0.00 C ATOM 1367 NE2 HIS A 87 -6.484 -3.076 6.063 1.00 0.00 N ATOM 0 H HIS A 87 -3.539 -0.967 2.646 1.00 0.00 H new ATOM 0 HA HIS A 87 -6.492 -1.003 2.401 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -4.734 0.433 4.428 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -6.460 0.682 4.252 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -5.167 -0.368 6.898 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -6.855 -2.786 3.921 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -5.818 -2.552 8.027 1.00 0.00 H new ATOM 1375 N LEU A 88 -6.530 1.514 1.667 1.00 0.00 N ATOM 1376 CA LEU A 88 -6.534 2.719 0.846 1.00 0.00 C ATOM 1377 C LEU A 88 -6.637 3.968 1.714 1.00 0.00 C ATOM 1378 O LEU A 88 -7.670 4.638 1.736 1.00 0.00 O ATOM 1379 CB LEU A 88 -7.696 2.678 -0.148 1.00 0.00 C ATOM 1380 CG LEU A 88 -7.465 3.391 -1.481 1.00 0.00 C ATOM 1381 CD1 LEU A 88 -7.395 4.897 -1.275 1.00 0.00 C ATOM 1382 CD2 LEU A 88 -6.194 2.882 -2.144 1.00 0.00 C ATOM 0 H LEU A 88 -7.418 1.316 2.129 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.594 2.758 0.296 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -7.935 1.635 -0.354 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -8.572 3.118 0.329 1.00 0.00 H new ATOM 0 HG LEU A 88 -8.306 3.173 -2.139 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.230 5.388 -2.234 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -8.332 5.249 -0.843 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.573 5.134 -0.600 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.045 3.400 -3.091 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.342 3.070 -1.490 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.283 1.811 -2.326 1.00 0.00 H new ATOM 1394 N SER A 89 -5.559 4.278 2.428 1.00 0.00 N ATOM 1395 CA SER A 89 -5.528 5.446 3.299 1.00 0.00 C ATOM 1396 C SER A 89 -5.823 6.719 2.511 1.00 0.00 C ATOM 1397 O SER A 89 -5.964 6.687 1.290 1.00 0.00 O ATOM 1398 CB SER A 89 -4.166 5.561 3.985 1.00 0.00 C ATOM 1399 OG SER A 89 -4.303 6.012 5.322 1.00 0.00 O ATOM 0 H SER A 89 -4.695 3.736 2.420 1.00 0.00 H new ATOM 0 HA SER A 89 -6.300 5.323 4.059 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.667 4.592 3.974 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.532 6.252 3.428 1.00 0.00 H new ATOM 0 HG SER A 89 -3.418 6.075 5.738 1.00 0.00 H new ATOM 1405 N GLN A 90 -5.913 7.840 3.222 1.00 0.00 N ATOM 1406 CA GLN A 90 -6.193 9.123 2.590 1.00 0.00 C ATOM 1407 C GLN A 90 -5.599 10.270 3.401 1.00 0.00 C ATOM 1408 O GLN A 90 -5.419 10.158 4.615 1.00 0.00 O ATOM 1409 CB GLN A 90 -7.701 9.321 2.432 1.00 0.00 C ATOM 1410 CG GLN A 90 -8.365 8.270 1.559 1.00 0.00 C ATOM 1411 CD GLN A 90 -9.877 8.289 1.669 1.00 0.00 C ATOM 1412 OE1 GLN A 90 -10.441 9.000 2.501 1.00 0.00 O ATOM 1413 NE2 GLN A 90 -10.542 7.504 0.829 1.00 0.00 N ATOM 0 H GLN A 90 -5.796 7.884 4.234 1.00 0.00 H new ATOM 0 HA GLN A 90 -5.730 9.122 1.603 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -8.166 9.309 3.418 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -7.887 10.306 2.004 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -8.078 8.432 0.520 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -7.997 7.284 1.841 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -10.034 6.931 0.155 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -11.561 7.474 0.858 1.00 0.00 H new ATOM 1422 N LYS A 91 -5.296 11.373 2.725 1.00 0.00 N ATOM 1423 CA LYS A 91 -4.723 12.542 3.383 1.00 0.00 C ATOM 1424 C LYS A 91 -3.379 12.203 4.020 1.00 0.00 C ATOM 1425 O LYS A 91 -3.146 11.068 4.437 1.00 0.00 O ATOM 1426 CB LYS A 91 -5.684 13.075 4.448 1.00 0.00 C ATOM 1427 CG LYS A 91 -5.035 14.039 5.425 1.00 0.00 C ATOM 1428 CD LYS A 91 -4.503 13.316 6.652 1.00 0.00 C ATOM 1429 CE LYS A 91 -3.840 14.281 7.624 1.00 0.00 C ATOM 1430 NZ LYS A 91 -4.779 14.727 8.689 1.00 0.00 N ATOM 0 H LYS A 91 -5.438 11.482 1.721 1.00 0.00 H new ATOM 0 HA LYS A 91 -4.564 13.312 2.628 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -6.517 13.576 3.955 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -6.101 12.234 5.003 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -4.219 14.566 4.930 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -5.761 14.792 5.732 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -5.320 12.798 7.153 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -3.784 12.556 6.345 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -2.975 13.800 8.081 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -3.471 15.149 7.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -4.290 15.383 9.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -5.592 15.209 8.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -5.112 13.901 9.226 1.00 0.00 H new ATOM 1444 N TYR A 92 -2.498 13.195 4.092 1.00 0.00 N ATOM 1445 CA TYR A 92 -1.176 13.002 4.677 1.00 0.00 C ATOM 1446 C TYR A 92 -0.294 14.224 4.443 1.00 0.00 C ATOM 1447 O TYR A 92 -0.762 15.265 3.981 1.00 0.00 O ATOM 1448 CB TYR A 92 -0.511 11.758 4.086 1.00 0.00 C ATOM 1449 CG TYR A 92 -0.151 10.715 5.120 1.00 0.00 C ATOM 1450 CD1 TYR A 92 -0.987 10.463 6.202 1.00 0.00 C ATOM 1451 CD2 TYR A 92 1.024 9.982 5.016 1.00 0.00 C ATOM 1452 CE1 TYR A 92 -0.662 9.511 7.149 1.00 0.00 C ATOM 1453 CE2 TYR A 92 1.357 9.028 5.959 1.00 0.00 C ATOM 1454 CZ TYR A 92 0.510 8.797 7.023 1.00 0.00 C ATOM 1455 OH TYR A 92 0.838 7.848 7.964 1.00 0.00 O ATOM 0 H TYR A 92 -2.675 14.140 3.753 1.00 0.00 H new ATOM 0 HA TYR A 92 -1.298 12.865 5.751 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -1.181 11.313 3.351 1.00 0.00 H new ATOM 0 HB3 TYR A 92 0.392 12.057 3.554 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -1.906 11.021 6.304 1.00 0.00 H new ATOM 0 HD2 TYR A 92 1.689 10.161 4.184 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -1.323 9.327 7.983 1.00 0.00 H new ATOM 0 HE2 TYR A 92 2.275 8.467 5.863 1.00 0.00 H new ATOM 0 HH TYR A 92 0.943 6.977 7.527 1.00 0.00 H new ATOM 1465 N LYS A 93 0.989 14.090 4.766 1.00 0.00 N ATOM 1466 CA LYS A 93 1.940 15.180 4.590 1.00 0.00 C ATOM 1467 C LYS A 93 2.446 15.234 3.152 1.00 0.00 C ATOM 1468 O LYS A 93 3.629 15.479 2.910 1.00 0.00 O ATOM 1469 CB LYS A 93 3.120 15.015 5.552 1.00 0.00 C ATOM 1470 CG LYS A 93 3.414 16.259 6.372 1.00 0.00 C ATOM 1471 CD LYS A 93 3.464 15.947 7.859 1.00 0.00 C ATOM 1472 CE LYS A 93 3.816 17.180 8.675 1.00 0.00 C ATOM 1473 NZ LYS A 93 5.195 17.103 9.232 1.00 0.00 N ATOM 0 H LYS A 93 1.393 13.236 5.151 1.00 0.00 H new ATOM 0 HA LYS A 93 1.427 16.116 4.811 1.00 0.00 H new ATOM 0 HB2 LYS A 93 2.914 14.185 6.228 1.00 0.00 H new ATOM 0 HB3 LYS A 93 4.009 14.748 4.981 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.365 16.687 6.057 1.00 0.00 H new ATOM 0 HG3 LYS A 93 2.648 17.011 6.182 1.00 0.00 H new ATOM 0 HD2 LYS A 93 2.499 15.558 8.183 1.00 0.00 H new ATOM 0 HD3 LYS A 93 4.201 15.165 8.043 1.00 0.00 H new ATOM 0 HE2 LYS A 93 3.727 18.067 8.048 1.00 0.00 H new ATOM 0 HE3 LYS A 93 3.101 17.292 9.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 5.396 17.963 9.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 5.274 16.270 9.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 5.880 17.022 8.454 1.00 0.00 H new ATOM 1487 N ARG A 94 1.545 15.008 2.204 1.00 0.00 N ATOM 1488 CA ARG A 94 1.900 15.031 0.789 1.00 0.00 C ATOM 1489 C ARG A 94 3.311 14.490 0.575 1.00 0.00 C ATOM 1490 O ARG A 94 4.275 15.253 0.503 1.00 0.00 O ATOM 1491 CB ARG A 94 1.800 16.455 0.240 1.00 0.00 C ATOM 1492 CG ARG A 94 1.659 16.517 -1.272 1.00 0.00 C ATOM 1493 CD ARG A 94 0.685 17.604 -1.697 1.00 0.00 C ATOM 1494 NE ARG A 94 1.313 18.922 -1.725 1.00 0.00 N ATOM 1495 CZ ARG A 94 2.202 19.293 -2.641 1.00 0.00 C ATOM 1496 NH1 ARG A 94 2.564 18.449 -3.597 1.00 0.00 N ATOM 1497 NH2 ARG A 94 2.731 20.509 -2.599 1.00 0.00 N ATOM 0 H ARG A 94 0.562 14.807 2.389 1.00 0.00 H new ATOM 0 HA ARG A 94 1.198 14.392 0.253 1.00 0.00 H new ATOM 0 HB2 ARG A 94 0.944 16.952 0.697 1.00 0.00 H new ATOM 0 HB3 ARG A 94 2.688 17.013 0.537 1.00 0.00 H new ATOM 0 HG2 ARG A 94 2.634 16.705 -1.722 1.00 0.00 H new ATOM 0 HG3 ARG A 94 1.315 15.553 -1.646 1.00 0.00 H new ATOM 0 HD2 ARG A 94 0.290 17.370 -2.685 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -0.162 17.621 -1.011 1.00 0.00 H new ATOM 0 HE ARG A 94 1.056 19.594 -1.003 1.00 0.00 H new ATOM 0 HH11 ARG A 94 2.160 17.513 -3.631 1.00 0.00 H new ATOM 0 HH12 ARG A 94 3.246 18.736 -4.299 1.00 0.00 H new ATOM 0 HH21 ARG A 94 2.456 21.160 -1.863 1.00 0.00 H new ATOM 0 HH22 ARG A 94 3.413 20.793 -3.302 1.00 0.00 H new ATOM 1511 N ILE A 95 3.424 13.170 0.474 1.00 0.00 N ATOM 1512 CA ILE A 95 4.715 12.528 0.267 1.00 0.00 C ATOM 1513 C ILE A 95 5.520 13.247 -0.810 1.00 0.00 C ATOM 1514 O ILE A 95 4.993 13.595 -1.867 1.00 0.00 O ATOM 1515 CB ILE A 95 4.551 11.049 -0.130 1.00 0.00 C ATOM 1516 CG1 ILE A 95 3.692 10.313 0.899 1.00 0.00 C ATOM 1517 CG2 ILE A 95 5.913 10.383 -0.265 1.00 0.00 C ATOM 1518 CD1 ILE A 95 2.645 9.413 0.279 1.00 0.00 C ATOM 0 H ILE A 95 2.636 12.524 0.532 1.00 0.00 H new ATOM 0 HA ILE A 95 5.251 12.583 1.215 1.00 0.00 H new ATOM 0 HB ILE A 95 4.047 11.001 -1.095 1.00 0.00 H new ATOM 0 HG12 ILE A 95 4.340 9.715 1.540 1.00 0.00 H new ATOM 0 HG13 ILE A 95 3.198 11.045 1.538 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.781 9.338 -0.546 1.00 0.00 H new ATOM 0 HG22 ILE A 95 6.494 10.895 -1.033 1.00 0.00 H new ATOM 0 HG23 ILE A 95 6.441 10.439 0.687 1.00 0.00 H new ATOM 0 HD11 ILE A 95 2.073 8.923 1.067 1.00 0.00 H new ATOM 0 HD12 ILE A 95 1.974 10.008 -0.340 1.00 0.00 H new ATOM 0 HD13 ILE A 95 3.133 8.658 -0.338 1.00 0.00 H new ATOM 1530 N LYS A 96 6.803 13.464 -0.537 1.00 0.00 N ATOM 1531 CA LYS A 96 7.684 14.139 -1.483 1.00 0.00 C ATOM 1532 C LYS A 96 9.146 13.954 -1.090 1.00 0.00 C ATOM 1533 O LYS A 96 9.926 13.355 -1.830 1.00 0.00 O ATOM 1534 CB LYS A 96 7.347 15.629 -1.551 1.00 0.00 C ATOM 1535 CG LYS A 96 7.761 16.288 -2.856 1.00 0.00 C ATOM 1536 CD LYS A 96 6.677 17.212 -3.383 1.00 0.00 C ATOM 1537 CE LYS A 96 7.193 18.090 -4.512 1.00 0.00 C ATOM 1538 NZ LYS A 96 6.975 17.464 -5.845 1.00 0.00 N ATOM 0 H LYS A 96 7.256 13.182 0.332 1.00 0.00 H new ATOM 0 HA LYS A 96 7.531 13.694 -2.466 1.00 0.00 H new ATOM 0 HB2 LYS A 96 6.273 15.757 -1.414 1.00 0.00 H new ATOM 0 HB3 LYS A 96 7.837 16.142 -0.723 1.00 0.00 H new ATOM 0 HG2 LYS A 96 8.680 16.854 -2.703 1.00 0.00 H new ATOM 0 HG3 LYS A 96 7.979 15.521 -3.599 1.00 0.00 H new ATOM 0 HD2 LYS A 96 5.834 16.620 -3.738 1.00 0.00 H new ATOM 0 HD3 LYS A 96 6.307 17.840 -2.572 1.00 0.00 H new ATOM 0 HE2 LYS A 96 6.691 19.057 -4.478 1.00 0.00 H new ATOM 0 HE3 LYS A 96 8.257 18.278 -4.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 7.340 18.093 -6.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 7.475 16.553 -5.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 5.957 17.308 -5.993 1.00 0.00 H new ATOM 1552 N SER A 97 9.510 14.473 0.078 1.00 0.00 N ATOM 1553 CA SER A 97 10.880 14.367 0.569 1.00 0.00 C ATOM 1554 C SER A 97 10.910 13.773 1.973 1.00 0.00 C ATOM 1555 O SER A 97 9.867 13.540 2.584 1.00 0.00 O ATOM 1556 CB SER A 97 11.551 15.742 0.569 1.00 0.00 C ATOM 1557 OG SER A 97 12.841 15.680 -0.015 1.00 0.00 O ATOM 0 H SER A 97 8.876 14.971 0.702 1.00 0.00 H new ATOM 0 HA SER A 97 11.429 13.703 -0.098 1.00 0.00 H new ATOM 0 HB2 SER A 97 10.933 16.452 0.019 1.00 0.00 H new ATOM 0 HB3 SER A 97 11.629 16.112 1.591 1.00 0.00 H new ATOM 0 HG SER A 97 13.248 16.571 -0.005 1.00 0.00 H new ATOM 1563 N GLY A 98 12.115 13.529 2.480 1.00 0.00 N ATOM 1564 CA GLY A 98 12.260 12.964 3.808 1.00 0.00 C ATOM 1565 C GLY A 98 12.762 13.978 4.818 1.00 0.00 C ATOM 1566 O GLY A 98 13.957 14.068 5.098 1.00 0.00 O ATOM 0 H GLY A 98 12.993 13.713 1.994 1.00 0.00 H new ATOM 0 HA2 GLY A 98 11.299 12.571 4.139 1.00 0.00 H new ATOM 0 HA3 GLY A 98 12.952 12.123 3.768 1.00 0.00 H new ATOM 1570 N PRO A 99 11.834 14.766 5.381 1.00 0.00 N ATOM 1571 CA PRO A 99 12.165 15.793 6.373 1.00 0.00 C ATOM 1572 C PRO A 99 12.606 15.194 7.704 1.00 0.00 C ATOM 1573 O PRO A 99 11.786 14.958 8.592 1.00 0.00 O ATOM 1574 CB PRO A 99 10.851 16.560 6.542 1.00 0.00 C ATOM 1575 CG PRO A 99 9.792 15.584 6.165 1.00 0.00 C ATOM 1576 CD PRO A 99 10.391 14.714 5.095 1.00 0.00 C ATOM 0 HA PRO A 99 13.000 16.415 6.051 1.00 0.00 H new ATOM 0 HB2 PRO A 99 10.724 16.906 7.568 1.00 0.00 H new ATOM 0 HB3 PRO A 99 10.822 17.442 5.902 1.00 0.00 H new ATOM 0 HG2 PRO A 99 9.486 14.989 7.025 1.00 0.00 H new ATOM 0 HG3 PRO A 99 8.902 16.096 5.799 1.00 0.00 H new ATOM 0 HD2 PRO A 99 10.008 13.695 5.145 1.00 0.00 H new ATOM 0 HD3 PRO A 99 10.165 15.091 4.097 1.00 0.00 H new ATOM 1584 N SER A 100 13.905 14.949 7.837 1.00 0.00 N ATOM 1585 CA SER A 100 14.454 14.373 9.059 1.00 0.00 C ATOM 1586 C SER A 100 15.979 14.354 9.013 1.00 0.00 C ATOM 1587 O SER A 100 16.579 14.325 7.939 1.00 0.00 O ATOM 1588 CB SER A 100 13.922 12.954 9.264 1.00 0.00 C ATOM 1589 OG SER A 100 13.445 12.774 10.586 1.00 0.00 O ATOM 0 H SER A 100 14.598 15.140 7.113 1.00 0.00 H new ATOM 0 HA SER A 100 14.140 14.995 9.897 1.00 0.00 H new ATOM 0 HB2 SER A 100 13.118 12.758 8.554 1.00 0.00 H new ATOM 0 HB3 SER A 100 14.713 12.233 9.058 1.00 0.00 H new ATOM 0 HG SER A 100 13.109 11.859 10.691 1.00 0.00 H new ATOM 1595 N SER A 101 16.600 14.370 10.188 1.00 0.00 N ATOM 1596 CA SER A 101 18.056 14.359 10.284 1.00 0.00 C ATOM 1597 C SER A 101 18.507 13.798 11.629 1.00 0.00 C ATOM 1598 O SER A 101 19.234 12.807 11.688 1.00 0.00 O ATOM 1599 CB SER A 101 18.612 15.771 10.095 1.00 0.00 C ATOM 1600 OG SER A 101 19.680 15.780 9.163 1.00 0.00 O ATOM 0 H SER A 101 16.118 14.391 11.087 1.00 0.00 H new ATOM 0 HA SER A 101 18.443 13.716 9.493 1.00 0.00 H new ATOM 0 HB2 SER A 101 17.819 16.434 9.750 1.00 0.00 H new ATOM 0 HB3 SER A 101 18.958 16.160 11.053 1.00 0.00 H new ATOM 0 HG SER A 101 20.016 16.695 9.059 1.00 0.00 H new ATOM 1606 N GLY A 102 18.070 14.440 12.707 1.00 0.00 N ATOM 1607 CA GLY A 102 18.440 13.991 14.038 1.00 0.00 C ATOM 1608 C GLY A 102 17.241 13.552 14.854 1.00 0.00 C ATOM 1609 O GLY A 102 16.995 12.356 15.015 1.00 0.00 O ATOM 0 H GLY A 102 17.467 15.262 12.684 1.00 0.00 H new ATOM 0 HA2 GLY A 102 19.144 13.162 13.956 1.00 0.00 H new ATOM 0 HA3 GLY A 102 18.956 14.797 14.560 1.00 0.00 H new TER 1613 GLY A 102