USER MOD reduce.3.24.130724 H: found=0, std=0, add=1044, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1046 hydrogens (13 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 NoAdj-H: B 204 PTR H : B 204 PTR N : B 203 GLU C :(H bumps) USER MOD Set 1.1: A 125 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 130 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 34 ASN : amide:sc= -2.51! C(o=-3.7!,f=-14!) USER MOD Set 2.2: A 37 THR OG1 : rot 23:sc= -1.17! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -146:sc= -0.0396 (180deg=-1.38!) USER MOD Single : A 2 ASN : amide:sc= -3.2 K(o=-3.2,f=-5.4!) USER MOD Single : A 4 SER OG : rot -132:sc= 1.1 USER MOD Single : A 6 SER OG : rot 180:sc= -0.554 USER MOD Single : A 9 HIS : no HE2:sc= -6.44! C(o=-6.4!,f=-9.9!) USER MOD Single : A 11 GLN : amide:sc= -5.91! C(o=-5.9!,f=-14!) USER MOD Single : A 13 SER OG : rot -72:sc= 1.28 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 163:sc= -0.462 USER MOD Single : A 23 CYS SG : rot 120:sc= -2.04 USER MOD Single : A 24 THR OG1 : rot 110:sc= 0.241 USER MOD Single : A 26 LYS NZ :NH3+ 145:sc= -0.397 (180deg=-2.26!) USER MOD Single : A 30 ASN :FLIP amide:sc= -0.749! C(o=-4.6!,f=-0.75!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 45:sc= 0.0749 USER MOD Single : A 40 GLN : amide:sc= -5.44! C(o=-5.4!,f=-6!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 85:sc= 0.297 USER MOD Single : A 53 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.389) USER MOD Single : A 57 GLN : amide:sc= -1.79 K(o=-1.8,f=-4.4!) USER MOD Single : A 58 THR OG1 : rot -44:sc= -3.71! USER MOD Single : A 61 SER OG : rot 72:sc= 1.12 USER MOD Single : A 62 HIS : no HD1:sc= -1.65 X(o=-1.7,f=-2.1!) USER MOD Single : A 65 ASN :FLIP amide:sc= 0.238! F(o=-1.2,f=0.24!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -4.33 K(o=-4.3,f=-8.9!) USER MOD Single : A 73 THR OG1 : rot -97:sc= -1.22 USER MOD Single : A 75 LYS NZ :NH3+ -175:sc= -0.231 (180deg=-0.331) USER MOD Single : A 78 GLN : amide:sc= -0.645 X(o=-0.65,f=-0.65) USER MOD Single : A 79 SER OG : rot -149:sc= -0.436 USER MOD Single : A 80 THR OG1 : rot 171:sc= -0.108 USER MOD Single : A 82 LYS NZ :NH3+ -164:sc=-0.00364 (180deg=-0.0797) USER MOD Single : A 83 HIS : no HE2:sc= -0.137 K(o=-0.14,f=-4.3!) USER MOD Single : A 84 ASN : amide:sc= -1.4 K(o=-1.4,f=-7.1!) USER MOD Single : A 86 ASN : amide:sc= -0.0136 X(o=-0.014,f=0) USER MOD Single : A 87 ASN : amide:sc= -1.04 X(o=-1,f=-1.1!) USER MOD Single : A 88 TYR OH : rot 180:sc= -0.503 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= 0.0156 K(o=0.016,f=-0.77) USER MOD Single : A 97 ASN : amide:sc= -7.53! C(o=-7.5!,f=-15!) USER MOD Single : A 98 SER OG : rot 83:sc= -1.81! USER MOD Single : A 102 SER OG : rot 180:sc= -0.169 USER MOD Single : A 105 SER OG : rot -98:sc= -2.72 USER MOD Single : A 107 GLN :FLIP amide:sc= -5.45! C(o=-8.4!,f=-5.5!) USER MOD Single : A 108 MET CE :methyl -127:sc= -4.53! (180deg=-14!) USER MOD Single : A 109 THR OG1 : rot 85:sc= -0.16! USER MOD Single : A 111 GLN :FLIP amide:sc= -0.746 F(o=-3.7!,f=-0.75) USER MOD Single : A 114 LYS NZ :NH3+ 160:sc= -12.9! (180deg=-17.3!) USER MOD Single : A 123 GLN : amide:sc= -2.98 K(o=-3,f=-5.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.004 6.099 -12.513 1.00 0.00 N ATOM 2 CA MET A 1 -2.527 7.508 -12.462 1.00 0.00 C ATOM 3 C MET A 1 -2.080 7.883 -11.052 1.00 0.00 C ATOM 4 O MET A 1 -0.896 8.114 -10.807 1.00 0.00 O ATOM 5 CB MET A 1 -3.660 8.434 -12.921 1.00 0.00 C ATOM 6 CG MET A 1 -4.509 7.860 -14.045 1.00 0.00 C ATOM 7 SD MET A 1 -6.088 7.211 -13.462 1.00 0.00 S ATOM 8 CE MET A 1 -6.170 5.660 -14.355 1.00 0.00 C ATOM 0 H1 MET A 1 -2.762 5.684 -13.435 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.549 5.551 -11.756 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.036 6.077 -12.384 1.00 0.00 H new ATOM 0 HA MET A 1 -1.668 7.617 -13.124 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.303 8.654 -12.069 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.231 9.381 -13.250 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.692 8.635 -14.789 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.955 7.064 -14.543 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.094 5.141 -14.099 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.149 5.856 -15.427 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.317 5.038 -14.083 1.00 0.00 H new ATOM 20 N ASN A 2 -3.037 7.935 -10.129 1.00 0.00 N ATOM 21 CA ASN A 2 -2.755 8.274 -8.736 1.00 0.00 C ATOM 22 C ASN A 2 -1.814 9.477 -8.625 1.00 0.00 C ATOM 23 O ASN A 2 -1.635 10.230 -9.583 1.00 0.00 O ATOM 24 CB ASN A 2 -2.161 7.062 -8.008 1.00 0.00 C ATOM 25 CG ASN A 2 -0.682 6.867 -8.294 1.00 0.00 C ATOM 26 OD1 ASN A 2 0.173 7.423 -7.605 1.00 0.00 O ATOM 27 ND2 ASN A 2 -0.377 6.074 -9.314 1.00 0.00 N ATOM 0 H ASN A 2 -4.020 7.745 -10.322 1.00 0.00 H new ATOM 0 HA ASN A 2 -3.697 8.550 -8.263 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -2.305 7.183 -6.934 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -2.704 6.165 -8.304 1.00 0.00 H new ATOM 0 HD21 ASN A 2 0.600 5.905 -9.554 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -1.119 5.634 -9.858 1.00 0.00 H new ATOM 34 N LEU A 3 -1.220 9.647 -7.448 1.00 0.00 N ATOM 35 CA LEU A 3 -0.301 10.755 -7.203 1.00 0.00 C ATOM 36 C LEU A 3 1.138 10.376 -7.580 1.00 0.00 C ATOM 37 O LEU A 3 1.526 10.480 -8.744 1.00 0.00 O ATOM 38 CB LEU A 3 -0.379 11.203 -5.734 1.00 0.00 C ATOM 39 CG LEU A 3 -0.578 10.078 -4.709 1.00 0.00 C ATOM 40 CD1 LEU A 3 0.374 10.241 -3.535 1.00 0.00 C ATOM 41 CD2 LEU A 3 -2.021 10.040 -4.226 1.00 0.00 C ATOM 0 H LEU A 3 -1.359 9.031 -6.647 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.602 11.590 -7.836 1.00 0.00 H new ATOM 0 HB2 LEU A 3 0.538 11.738 -5.487 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -1.200 11.913 -5.632 1.00 0.00 H new ATOM 0 HG LEU A 3 -0.355 9.130 -5.199 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.214 9.432 -2.822 1.00 0.00 H new ATOM 0 HD12 LEU A 3 1.403 10.210 -3.894 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.189 11.197 -3.046 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -2.141 9.236 -3.500 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -2.273 10.992 -3.758 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -2.684 9.866 -5.073 1.00 0.00 H new ATOM 53 N SER A 4 1.926 9.938 -6.596 1.00 0.00 N ATOM 54 CA SER A 4 3.312 9.551 -6.833 1.00 0.00 C ATOM 55 C SER A 4 3.863 8.787 -5.631 1.00 0.00 C ATOM 56 O SER A 4 3.491 9.060 -4.492 1.00 0.00 O ATOM 57 CB SER A 4 4.168 10.789 -7.121 1.00 0.00 C ATOM 58 OG SER A 4 5.319 10.834 -6.294 1.00 0.00 O ATOM 0 H SER A 4 1.624 9.843 -5.626 1.00 0.00 H new ATOM 0 HA SER A 4 3.347 8.896 -7.704 1.00 0.00 H new ATOM 0 HB2 SER A 4 4.472 10.786 -8.168 1.00 0.00 H new ATOM 0 HB3 SER A 4 3.572 11.688 -6.965 1.00 0.00 H new ATOM 0 HG SER A 4 5.407 11.729 -5.904 1.00 0.00 H new ATOM 64 N LEU A 5 4.745 7.827 -5.893 1.00 0.00 N ATOM 65 CA LEU A 5 5.339 7.013 -4.829 1.00 0.00 C ATOM 66 C LEU A 5 5.801 7.857 -3.665 1.00 0.00 C ATOM 67 O LEU A 5 5.297 7.729 -2.549 1.00 0.00 O ATOM 68 CB LEU A 5 6.524 6.215 -5.342 1.00 0.00 C ATOM 69 CG LEU A 5 6.212 5.286 -6.482 1.00 0.00 C ATOM 70 CD1 LEU A 5 7.471 4.912 -7.247 1.00 0.00 C ATOM 71 CD2 LEU A 5 5.487 4.046 -5.983 1.00 0.00 C ATOM 0 H LEU A 5 5.066 7.591 -6.832 1.00 0.00 H new ATOM 0 HA LEU A 5 4.555 6.335 -4.491 1.00 0.00 H new ATOM 0 HB2 LEU A 5 7.302 6.910 -5.660 1.00 0.00 H new ATOM 0 HB3 LEU A 5 6.935 5.632 -4.518 1.00 0.00 H new ATOM 0 HG LEU A 5 5.551 5.811 -7.172 1.00 0.00 H new ATOM 0 HD11 LEU A 5 7.213 4.239 -8.065 1.00 0.00 H new ATOM 0 HD12 LEU A 5 7.933 5.813 -7.650 1.00 0.00 H new ATOM 0 HD13 LEU A 5 8.171 4.415 -6.575 1.00 0.00 H new ATOM 0 HD21 LEU A 5 5.271 3.388 -6.824 1.00 0.00 H new ATOM 0 HD22 LEU A 5 6.116 3.521 -5.264 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.553 4.339 -5.503 1.00 0.00 H new ATOM 83 N SER A 6 6.791 8.695 -3.929 1.00 0.00 N ATOM 84 CA SER A 6 7.361 9.541 -2.903 1.00 0.00 C ATOM 85 C SER A 6 6.279 10.140 -2.000 1.00 0.00 C ATOM 86 O SER A 6 6.246 9.880 -0.796 1.00 0.00 O ATOM 87 CB SER A 6 8.213 10.647 -3.537 1.00 0.00 C ATOM 88 OG SER A 6 7.670 11.934 -3.288 1.00 0.00 O ATOM 0 H SER A 6 7.215 8.805 -4.850 1.00 0.00 H new ATOM 0 HA SER A 6 8.002 8.921 -2.276 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.227 10.597 -3.141 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.282 10.483 -4.612 1.00 0.00 H new ATOM 0 HG SER A 6 8.238 12.615 -3.704 1.00 0.00 H new ATOM 94 N ASP A 7 5.394 10.936 -2.592 1.00 0.00 N ATOM 95 CA ASP A 7 4.310 11.567 -1.843 1.00 0.00 C ATOM 96 C ASP A 7 3.418 10.516 -1.190 1.00 0.00 C ATOM 97 O ASP A 7 3.077 10.623 -0.012 1.00 0.00 O ATOM 98 CB ASP A 7 3.459 12.479 -2.743 1.00 0.00 C ATOM 99 CG ASP A 7 3.662 12.232 -4.227 1.00 0.00 C ATOM 100 OD1 ASP A 7 4.673 12.717 -4.776 1.00 0.00 O ATOM 101 OD2 ASP A 7 2.810 11.555 -4.837 1.00 0.00 O ATOM 0 H ASP A 7 5.405 11.160 -3.587 1.00 0.00 H new ATOM 0 HA ASP A 7 4.769 12.179 -1.067 1.00 0.00 H new ATOM 0 HB2 ASP A 7 2.406 12.334 -2.500 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.698 13.519 -2.521 1.00 0.00 H new ATOM 106 N LEU A 8 3.035 9.506 -1.963 1.00 0.00 N ATOM 107 CA LEU A 8 2.174 8.439 -1.460 1.00 0.00 C ATOM 108 C LEU A 8 2.769 7.800 -0.215 1.00 0.00 C ATOM 109 O LEU A 8 2.216 7.917 0.878 1.00 0.00 O ATOM 110 CB LEU A 8 1.991 7.372 -2.533 1.00 0.00 C ATOM 111 CG LEU A 8 0.619 6.685 -2.597 1.00 0.00 C ATOM 112 CD1 LEU A 8 -0.442 7.435 -1.804 1.00 0.00 C ATOM 113 CD2 LEU A 8 0.193 6.539 -4.045 1.00 0.00 C ATOM 0 H LEU A 8 3.307 9.403 -2.941 1.00 0.00 H new ATOM 0 HA LEU A 8 1.209 8.876 -1.203 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.189 7.828 -3.503 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.749 6.604 -2.381 1.00 0.00 H new ATOM 0 HG LEU A 8 0.718 5.701 -2.139 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.394 6.909 -1.881 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.142 7.491 -0.758 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.551 8.443 -2.205 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.781 6.051 -4.090 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.127 7.525 -4.506 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.926 5.936 -4.581 1.00 0.00 H new ATOM 125 N HIS A 9 3.910 7.137 -0.385 1.00 0.00 N ATOM 126 CA HIS A 9 4.587 6.497 0.734 1.00 0.00 C ATOM 127 C HIS A 9 4.763 7.491 1.860 1.00 0.00 C ATOM 128 O HIS A 9 4.705 7.146 3.040 1.00 0.00 O ATOM 129 CB HIS A 9 5.954 5.981 0.313 1.00 0.00 C ATOM 130 CG HIS A 9 6.638 5.191 1.386 1.00 0.00 C ATOM 131 ND1 HIS A 9 7.769 5.633 2.038 1.00 0.00 N ATOM 132 CD2 HIS A 9 6.337 3.990 1.933 1.00 0.00 C ATOM 133 CE1 HIS A 9 8.134 4.739 2.939 1.00 0.00 C ATOM 134 NE2 HIS A 9 7.281 3.732 2.897 1.00 0.00 N ATOM 0 H HIS A 9 4.382 7.030 -1.283 1.00 0.00 H new ATOM 0 HA HIS A 9 3.977 5.657 1.067 1.00 0.00 H new ATOM 0 HB2 HIS A 9 5.843 5.358 -0.574 1.00 0.00 H new ATOM 0 HB3 HIS A 9 6.584 6.825 0.033 1.00 0.00 H new ATOM 0 HD1 HIS A 9 8.249 6.514 1.853 1.00 0.00 H new ATOM 0 HD2 HIS A 9 5.508 3.353 1.662 1.00 0.00 H new ATOM 0 HE1 HIS A 9 8.986 4.818 3.598 1.00 0.00 H new ATOM 143 N ARG A 10 4.977 8.735 1.469 1.00 0.00 N ATOM 144 CA ARG A 10 5.165 9.812 2.426 1.00 0.00 C ATOM 145 C ARG A 10 3.934 9.961 3.311 1.00 0.00 C ATOM 146 O ARG A 10 4.013 9.803 4.531 1.00 0.00 O ATOM 147 CB ARG A 10 5.459 11.130 1.703 1.00 0.00 C ATOM 148 CG ARG A 10 6.938 11.486 1.668 1.00 0.00 C ATOM 149 CD ARG A 10 7.273 12.586 2.665 1.00 0.00 C ATOM 150 NE ARG A 10 8.406 12.227 3.515 1.00 0.00 N ATOM 151 CZ ARG A 10 8.843 12.978 4.523 1.00 0.00 C ATOM 152 NH1 ARG A 10 8.246 14.128 4.811 1.00 0.00 N ATOM 153 NH2 ARG A 10 9.879 12.577 5.247 1.00 0.00 N ATOM 0 H ARG A 10 5.025 9.025 0.492 1.00 0.00 H new ATOM 0 HA ARG A 10 6.019 9.563 3.056 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.084 11.066 0.681 1.00 0.00 H new ATOM 0 HB3 ARG A 10 4.911 11.935 2.194 1.00 0.00 H new ATOM 0 HG2 ARG A 10 7.532 10.599 1.890 1.00 0.00 H new ATOM 0 HG3 ARG A 10 7.211 11.809 0.663 1.00 0.00 H new ATOM 0 HD2 ARG A 10 7.501 13.506 2.127 1.00 0.00 H new ATOM 0 HD3 ARG A 10 6.402 12.788 3.288 1.00 0.00 H new ATOM 0 HE ARG A 10 8.890 11.350 3.325 1.00 0.00 H new ATOM 0 HH11 ARG A 10 7.448 14.441 4.258 1.00 0.00 H new ATOM 0 HH12 ARG A 10 8.586 14.699 5.585 1.00 0.00 H new ATOM 0 HH21 ARG A 10 10.341 11.693 5.031 1.00 0.00 H new ATOM 0 HH22 ARG A 10 10.214 13.152 6.020 1.00 0.00 H new ATOM 167 N GLN A 11 2.796 10.266 2.697 1.00 0.00 N ATOM 168 CA GLN A 11 1.565 10.437 3.453 1.00 0.00 C ATOM 169 C GLN A 11 1.129 9.136 4.127 1.00 0.00 C ATOM 170 O GLN A 11 0.901 9.106 5.341 1.00 0.00 O ATOM 171 CB GLN A 11 0.437 11.003 2.582 1.00 0.00 C ATOM 172 CG GLN A 11 0.195 10.272 1.270 1.00 0.00 C ATOM 173 CD GLN A 11 -0.494 11.157 0.258 1.00 0.00 C ATOM 174 OE1 GLN A 11 -1.678 11.460 0.389 1.00 0.00 O ATOM 175 NE2 GLN A 11 0.245 11.585 -0.752 1.00 0.00 N ATOM 0 H GLN A 11 2.702 10.398 1.690 1.00 0.00 H new ATOM 0 HA GLN A 11 1.777 11.164 4.237 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.487 10.991 3.161 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.661 12.047 2.361 1.00 0.00 H new ATOM 0 HG2 GLN A 11 1.146 9.927 0.864 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.413 9.386 1.453 1.00 0.00 H new ATOM 0 HE21 GLN A 11 1.224 11.308 -0.821 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -0.164 12.192 -1.462 1.00 0.00 H new ATOM 184 N VAL A 12 1.015 8.053 3.354 1.00 0.00 N ATOM 185 CA VAL A 12 0.597 6.777 3.923 1.00 0.00 C ATOM 186 C VAL A 12 1.441 6.417 5.142 1.00 0.00 C ATOM 187 O VAL A 12 0.914 6.055 6.197 1.00 0.00 O ATOM 188 CB VAL A 12 0.666 5.635 2.889 1.00 0.00 C ATOM 189 CG1 VAL A 12 2.099 5.370 2.463 1.00 0.00 C ATOM 190 CG2 VAL A 12 0.027 4.373 3.448 1.00 0.00 C ATOM 0 H VAL A 12 1.203 8.036 2.352 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.442 6.896 4.230 1.00 0.00 H new ATOM 0 HB VAL A 12 0.107 5.943 2.005 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.118 4.560 1.734 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.518 6.271 2.015 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.691 5.088 3.334 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.084 3.577 2.706 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.556 4.066 4.350 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.018 4.570 3.689 1.00 0.00 H new ATOM 200 N SER A 13 2.754 6.523 4.995 1.00 0.00 N ATOM 201 CA SER A 13 3.668 6.209 6.082 1.00 0.00 C ATOM 202 C SER A 13 3.543 7.207 7.216 1.00 0.00 C ATOM 203 O SER A 13 3.761 6.866 8.383 1.00 0.00 O ATOM 204 CB SER A 13 5.110 6.183 5.571 1.00 0.00 C ATOM 205 OG SER A 13 5.597 7.495 5.347 1.00 0.00 O ATOM 0 H SER A 13 3.209 6.824 4.133 1.00 0.00 H new ATOM 0 HA SER A 13 3.402 5.224 6.465 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.746 5.675 6.295 1.00 0.00 H new ATOM 0 HB3 SER A 13 5.160 5.610 4.645 1.00 0.00 H new ATOM 0 HG SER A 13 5.163 7.874 4.554 1.00 0.00 H new ATOM 211 N ARG A 14 3.212 8.444 6.875 1.00 0.00 N ATOM 212 CA ARG A 14 3.100 9.483 7.876 1.00 0.00 C ATOM 213 C ARG A 14 1.860 9.335 8.752 1.00 0.00 C ATOM 214 O ARG A 14 1.868 9.779 9.900 1.00 0.00 O ATOM 215 CB ARG A 14 3.120 10.866 7.223 1.00 0.00 C ATOM 216 CG ARG A 14 3.470 11.989 8.189 1.00 0.00 C ATOM 217 CD ARG A 14 4.729 12.728 7.758 1.00 0.00 C ATOM 218 NE ARG A 14 5.896 12.327 8.541 1.00 0.00 N ATOM 219 CZ ARG A 14 6.175 12.802 9.753 1.00 0.00 C ATOM 220 NH1 ARG A 14 5.373 13.690 10.328 1.00 0.00 N ATOM 221 NH2 ARG A 14 7.259 12.386 10.394 1.00 0.00 N ATOM 0 H ARG A 14 3.019 8.746 5.920 1.00 0.00 H new ATOM 0 HA ARG A 14 3.966 9.376 8.529 1.00 0.00 H new ATOM 0 HB2 ARG A 14 3.841 10.863 6.406 1.00 0.00 H new ATOM 0 HB3 ARG A 14 2.142 11.066 6.785 1.00 0.00 H new ATOM 0 HG2 ARG A 14 2.638 12.691 8.249 1.00 0.00 H new ATOM 0 HG3 ARG A 14 3.613 11.578 9.189 1.00 0.00 H new ATOM 0 HD2 ARG A 14 4.918 12.536 6.702 1.00 0.00 H new ATOM 0 HD3 ARG A 14 4.573 13.802 7.864 1.00 0.00 H new ATOM 0 HE ARG A 14 6.534 11.643 8.135 1.00 0.00 H new ATOM 0 HH11 ARG A 14 4.537 14.013 9.841 1.00 0.00 H new ATOM 0 HH12 ARG A 14 5.593 14.050 11.257 1.00 0.00 H new ATOM 0 HH21 ARG A 14 7.878 11.703 9.958 1.00 0.00 H new ATOM 0 HH22 ARG A 14 7.473 12.750 11.323 1.00 0.00 H new ATOM 235 N LEU A 15 0.794 8.714 8.242 1.00 0.00 N ATOM 236 CA LEU A 15 -0.403 8.552 9.067 1.00 0.00 C ATOM 237 C LEU A 15 -0.383 7.209 9.780 1.00 0.00 C ATOM 238 O LEU A 15 -0.792 7.108 10.932 1.00 0.00 O ATOM 239 CB LEU A 15 -1.713 8.707 8.277 1.00 0.00 C ATOM 240 CG LEU A 15 -1.595 8.941 6.778 1.00 0.00 C ATOM 241 CD1 LEU A 15 -1.859 7.649 6.025 1.00 0.00 C ATOM 242 CD2 LEU A 15 -2.562 10.027 6.328 1.00 0.00 C ATOM 0 H LEU A 15 0.734 8.329 7.299 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.378 9.359 9.799 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.310 7.809 8.433 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.271 9.539 8.706 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.581 9.274 6.557 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.772 7.828 4.953 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.131 6.896 6.327 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.864 7.294 6.253 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.463 10.180 5.253 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.583 9.723 6.559 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.333 10.957 6.849 1.00 0.00 H new ATOM 254 N VAL A 16 0.098 6.181 9.096 1.00 0.00 N ATOM 255 CA VAL A 16 0.170 4.849 9.685 1.00 0.00 C ATOM 256 C VAL A 16 1.202 4.794 10.794 1.00 0.00 C ATOM 257 O VAL A 16 0.923 4.315 11.893 1.00 0.00 O ATOM 258 CB VAL A 16 0.531 3.802 8.629 1.00 0.00 C ATOM 259 CG1 VAL A 16 0.587 2.401 9.226 1.00 0.00 C ATOM 260 CG2 VAL A 16 -0.462 3.867 7.495 1.00 0.00 C ATOM 0 H VAL A 16 0.443 6.241 8.138 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.815 4.630 10.097 1.00 0.00 H new ATOM 0 HB VAL A 16 1.527 4.025 8.246 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.846 1.684 8.447 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.341 2.371 10.013 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.386 2.145 9.646 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -0.205 3.121 6.743 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.463 3.667 7.876 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -0.436 4.860 7.045 1.00 0.00 H new ATOM 270 N GLN A 17 2.400 5.277 10.498 1.00 0.00 N ATOM 271 CA GLN A 17 3.469 5.267 11.476 1.00 0.00 C ATOM 272 C GLN A 17 3.202 6.265 12.605 1.00 0.00 C ATOM 273 O GLN A 17 3.947 6.312 13.584 1.00 0.00 O ATOM 274 CB GLN A 17 4.802 5.557 10.787 1.00 0.00 C ATOM 275 CG GLN A 17 5.089 4.624 9.613 1.00 0.00 C ATOM 276 CD GLN A 17 6.339 3.790 9.822 1.00 0.00 C ATOM 277 OE1 GLN A 17 6.343 2.844 10.610 1.00 0.00 O ATOM 278 NE2 GLN A 17 7.408 4.137 9.116 1.00 0.00 N ATOM 0 H GLN A 17 2.652 5.677 9.594 1.00 0.00 H new ATOM 0 HA GLN A 17 3.516 4.277 11.929 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.803 6.588 10.432 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.607 5.470 11.517 1.00 0.00 H new ATOM 0 HG2 GLN A 17 4.236 3.962 9.463 1.00 0.00 H new ATOM 0 HG3 GLN A 17 5.198 5.214 8.703 1.00 0.00 H new ATOM 0 HE21 GLN A 17 7.360 4.928 8.474 1.00 0.00 H new ATOM 0 HE22 GLN A 17 8.277 3.612 9.215 1.00 0.00 H new ATOM 287 N GLN A 18 2.132 7.055 12.474 1.00 0.00 N ATOM 288 CA GLN A 18 1.781 8.035 13.498 1.00 0.00 C ATOM 289 C GLN A 18 0.263 8.188 13.638 1.00 0.00 C ATOM 290 O GLN A 18 -0.226 9.273 13.953 1.00 0.00 O ATOM 291 CB GLN A 18 2.407 9.394 13.170 1.00 0.00 C ATOM 292 CG GLN A 18 3.902 9.331 12.902 1.00 0.00 C ATOM 293 CD GLN A 18 4.645 10.540 13.438 1.00 0.00 C ATOM 294 OE1 GLN A 18 4.252 11.682 13.197 1.00 0.00 O ATOM 295 NE2 GLN A 18 5.727 10.294 14.168 1.00 0.00 N ATOM 0 H GLN A 18 1.500 7.033 11.674 1.00 0.00 H new ATOM 0 HA GLN A 18 2.175 7.671 14.447 1.00 0.00 H new ATOM 0 HB2 GLN A 18 1.908 9.812 12.296 1.00 0.00 H new ATOM 0 HB3 GLN A 18 2.224 10.078 13.999 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.310 8.428 13.356 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.071 9.252 11.828 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.016 9.332 14.343 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.269 11.067 14.554 1.00 0.00 H new ATOM 304 N GLU A 19 -0.483 7.102 13.408 1.00 0.00 N ATOM 305 CA GLU A 19 -1.946 7.143 13.519 1.00 0.00 C ATOM 306 C GLU A 19 -2.595 5.823 13.106 1.00 0.00 C ATOM 307 O GLU A 19 -3.118 5.086 13.942 1.00 0.00 O ATOM 308 CB GLU A 19 -2.522 8.272 12.657 1.00 0.00 C ATOM 309 CG GLU A 19 -3.641 9.048 13.332 1.00 0.00 C ATOM 310 CD GLU A 19 -3.240 10.468 13.680 1.00 0.00 C ATOM 311 OE1 GLU A 19 -3.162 11.306 12.757 1.00 0.00 O ATOM 312 OE2 GLU A 19 -3.004 10.742 14.875 1.00 0.00 O ATOM 0 H GLU A 19 -0.103 6.192 13.146 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.173 7.323 14.570 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.720 8.962 12.395 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.896 7.850 11.724 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.510 9.071 12.674 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.943 8.527 14.241 1.00 0.00 H new ATOM 319 N SER A 20 -2.579 5.548 11.806 1.00 0.00 N ATOM 320 CA SER A 20 -3.186 4.340 11.263 1.00 0.00 C ATOM 321 C SER A 20 -2.318 3.118 11.511 1.00 0.00 C ATOM 322 O SER A 20 -1.654 2.615 10.609 1.00 0.00 O ATOM 323 CB SER A 20 -3.439 4.507 9.771 1.00 0.00 C ATOM 324 OG SER A 20 -3.626 5.871 9.434 1.00 0.00 O ATOM 0 H SER A 20 -2.149 6.151 11.105 1.00 0.00 H new ATOM 0 HA SER A 20 -4.135 4.185 11.776 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.597 4.103 9.209 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.320 3.934 9.482 1.00 0.00 H new ATOM 0 HG SER A 20 -3.514 5.987 8.467 1.00 0.00 H new ATOM 330 N GLY A 21 -2.342 2.653 12.744 1.00 0.00 N ATOM 331 CA GLY A 21 -1.566 1.489 13.129 1.00 0.00 C ATOM 332 C GLY A 21 -1.986 0.229 12.392 1.00 0.00 C ATOM 333 O GLY A 21 -2.630 -0.649 12.966 1.00 0.00 O ATOM 0 H GLY A 21 -2.892 3.064 13.499 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -0.511 1.682 12.936 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.670 1.328 14.202 1.00 0.00 H new ATOM 337 N ASP A 22 -1.605 0.140 11.120 1.00 0.00 N ATOM 338 CA ASP A 22 -1.921 -1.022 10.287 1.00 0.00 C ATOM 339 C ASP A 22 -3.366 -0.994 9.777 1.00 0.00 C ATOM 340 O ASP A 22 -3.842 -1.973 9.203 1.00 0.00 O ATOM 341 CB ASP A 22 -1.670 -2.322 11.057 1.00 0.00 C ATOM 342 CG ASP A 22 -1.492 -3.514 10.138 1.00 0.00 C ATOM 343 OD1 ASP A 22 -0.584 -3.473 9.281 1.00 0.00 O ATOM 344 OD2 ASP A 22 -2.260 -4.489 10.275 1.00 0.00 O ATOM 0 H ASP A 22 -1.072 0.865 10.639 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.261 -0.979 9.421 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.780 -2.208 11.676 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.506 -2.509 11.731 1.00 0.00 H new ATOM 349 N CYS A 23 -4.057 0.129 9.969 1.00 0.00 N ATOM 350 CA CYS A 23 -5.436 0.263 9.503 1.00 0.00 C ATOM 351 C CYS A 23 -5.484 0.125 7.990 1.00 0.00 C ATOM 352 O CYS A 23 -4.504 -0.283 7.373 1.00 0.00 O ATOM 353 CB CYS A 23 -6.009 1.614 9.937 1.00 0.00 C ATOM 354 SG CYS A 23 -7.109 1.517 11.368 1.00 0.00 S ATOM 0 H CYS A 23 -3.687 0.954 10.441 1.00 0.00 H new ATOM 0 HA CYS A 23 -6.042 -0.527 9.946 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.185 2.289 10.169 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -6.554 2.052 9.101 1.00 0.00 H new ATOM 0 HG CYS A 23 -6.629 2.242 12.334 1.00 0.00 H new ATOM 360 N THR A 24 -6.614 0.473 7.388 1.00 0.00 N ATOM 361 CA THR A 24 -6.746 0.381 5.942 1.00 0.00 C ATOM 362 C THR A 24 -6.638 1.768 5.332 1.00 0.00 C ATOM 363 O THR A 24 -7.101 2.742 5.914 1.00 0.00 O ATOM 364 CB THR A 24 -8.076 -0.264 5.565 1.00 0.00 C ATOM 365 OG1 THR A 24 -8.151 -1.587 6.068 1.00 0.00 O ATOM 366 CG2 THR A 24 -8.311 -0.326 4.071 1.00 0.00 C ATOM 0 H THR A 24 -7.443 0.818 7.873 1.00 0.00 H new ATOM 0 HA THR A 24 -5.943 -0.245 5.552 1.00 0.00 H new ATOM 0 HB THR A 24 -8.842 0.372 6.009 1.00 0.00 H new ATOM 0 HG1 THR A 24 -8.808 -1.624 6.794 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.274 -0.796 3.873 1.00 0.00 H new ATOM 0 HG22 THR A 24 -8.309 0.684 3.660 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.519 -0.910 3.602 1.00 0.00 H new ATOM 374 N GLY A 25 -5.994 1.865 4.178 1.00 0.00 N ATOM 375 CA GLY A 25 -5.814 3.159 3.555 1.00 0.00 C ATOM 376 C GLY A 25 -6.714 3.404 2.370 1.00 0.00 C ATOM 377 O GLY A 25 -7.071 2.481 1.638 1.00 0.00 O ATOM 0 H GLY A 25 -5.596 1.078 3.666 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.991 3.936 4.299 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.776 3.255 3.235 1.00 0.00 H new ATOM 381 N LYS A 26 -7.056 4.671 2.174 1.00 0.00 N ATOM 382 CA LYS A 26 -7.892 5.079 1.059 1.00 0.00 C ATOM 383 C LYS A 26 -7.074 5.955 0.117 1.00 0.00 C ATOM 384 O LYS A 26 -6.368 6.861 0.565 1.00 0.00 O ATOM 385 CB LYS A 26 -9.141 5.821 1.565 1.00 0.00 C ATOM 386 CG LYS A 26 -9.165 7.312 1.251 1.00 0.00 C ATOM 387 CD LYS A 26 -9.462 7.588 -0.217 1.00 0.00 C ATOM 388 CE LYS A 26 -10.854 8.166 -0.415 1.00 0.00 C ATOM 389 NZ LYS A 26 -11.161 9.236 0.574 1.00 0.00 N ATOM 0 H LYS A 26 -6.763 5.437 2.780 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.233 4.198 0.515 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -10.025 5.357 1.128 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -9.213 5.689 2.645 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -9.918 7.799 1.870 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -8.203 7.752 1.514 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -8.721 8.282 -0.613 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -9.369 6.663 -0.786 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.938 8.570 -1.424 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -11.593 7.369 -0.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -11.749 9.966 0.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.675 8.826 1.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -10.274 9.664 0.909 1.00 0.00 H new ATOM 403 N LEU A 27 -7.157 5.677 -1.180 1.00 0.00 N ATOM 404 CA LEU A 27 -6.403 6.444 -2.164 1.00 0.00 C ATOM 405 C LEU A 27 -7.316 7.262 -3.071 1.00 0.00 C ATOM 406 O LEU A 27 -8.452 6.880 -3.349 1.00 0.00 O ATOM 407 CB LEU A 27 -5.531 5.520 -3.012 1.00 0.00 C ATOM 408 CG LEU A 27 -4.684 6.229 -4.070 1.00 0.00 C ATOM 409 CD1 LEU A 27 -3.323 5.564 -4.200 1.00 0.00 C ATOM 410 CD2 LEU A 27 -5.405 6.242 -5.409 1.00 0.00 C ATOM 0 H LEU A 27 -7.734 4.933 -1.572 1.00 0.00 H new ATOM 0 HA LEU A 27 -5.768 7.136 -1.611 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.868 4.961 -2.351 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.173 4.793 -3.509 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.531 7.261 -3.753 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.735 6.083 -4.957 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.803 5.610 -3.243 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.454 4.522 -4.493 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.788 6.750 -6.150 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.590 5.218 -5.732 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.355 6.767 -5.306 1.00 0.00 H new ATOM 422 N ARG A 28 -6.786 8.391 -3.527 1.00 0.00 N ATOM 423 CA ARG A 28 -7.498 9.306 -4.412 1.00 0.00 C ATOM 424 C ARG A 28 -6.765 10.640 -4.447 1.00 0.00 C ATOM 425 O ARG A 28 -7.279 11.656 -3.983 1.00 0.00 O ATOM 426 CB ARG A 28 -8.948 9.500 -3.952 1.00 0.00 C ATOM 427 CG ARG A 28 -9.965 8.810 -4.849 1.00 0.00 C ATOM 428 CD ARG A 28 -11.358 8.832 -4.240 1.00 0.00 C ATOM 429 NE ARG A 28 -11.955 7.499 -4.188 1.00 0.00 N ATOM 430 CZ ARG A 28 -13.212 7.264 -3.821 1.00 0.00 C ATOM 431 NH1 ARG A 28 -14.010 8.268 -3.477 1.00 0.00 N ATOM 432 NH2 ARG A 28 -13.674 6.021 -3.799 1.00 0.00 N ATOM 0 H ARG A 28 -5.843 8.700 -3.291 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.525 8.880 -5.415 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -9.053 9.119 -2.936 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -9.170 10.566 -3.917 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -9.985 9.302 -5.822 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -9.659 7.778 -5.020 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -11.307 9.246 -3.233 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -11.998 9.493 -4.824 1.00 0.00 H new ATOM 0 HE ARG A 28 -11.374 6.702 -4.448 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -13.660 9.226 -3.493 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -14.973 8.081 -3.197 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -13.066 5.246 -4.063 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -14.638 5.840 -3.518 1.00 0.00 H new ATOM 446 N GLY A 29 -5.536 10.617 -4.964 1.00 0.00 N ATOM 447 CA GLY A 29 -4.728 11.821 -5.006 1.00 0.00 C ATOM 448 C GLY A 29 -4.116 12.120 -3.648 1.00 0.00 C ATOM 449 O GLY A 29 -3.328 13.053 -3.496 1.00 0.00 O ATOM 0 H GLY A 29 -5.089 9.787 -5.353 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.937 11.705 -5.747 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.342 12.663 -5.324 1.00 0.00 H new ATOM 453 N ASN A 30 -4.497 11.312 -2.659 1.00 0.00 N ATOM 454 CA ASN A 30 -4.020 11.450 -1.297 1.00 0.00 C ATOM 455 C ASN A 30 -4.376 10.183 -0.521 1.00 0.00 C ATOM 456 O ASN A 30 -5.192 9.383 -0.979 1.00 0.00 O ATOM 457 CB ASN A 30 -4.636 12.700 -0.645 1.00 0.00 C ATOM 458 CG ASN A 30 -5.107 12.476 0.783 1.00 0.00 C ATOM 459 OD1 ASN A 30 -6.069 11.576 0.953 1.00 0.00 O flip ATOM 460 ND2 ASN A 30 -4.611 13.103 1.719 1.00 0.00 N flip ATOM 0 H ASN A 30 -5.150 10.540 -2.789 1.00 0.00 H new ATOM 0 HA ASN A 30 -2.937 11.576 -1.288 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -3.899 13.503 -0.653 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -5.480 13.035 -1.248 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -3.874 13.785 1.542 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -4.937 12.940 2.672 1.00 0.00 H new ATOM 467 N VAL A 31 -3.783 10.002 0.648 1.00 0.00 N ATOM 468 CA VAL A 31 -4.075 8.828 1.460 1.00 0.00 C ATOM 469 C VAL A 31 -4.950 9.173 2.657 1.00 0.00 C ATOM 470 O VAL A 31 -4.812 10.235 3.263 1.00 0.00 O ATOM 471 CB VAL A 31 -2.795 8.167 1.981 1.00 0.00 C ATOM 472 CG1 VAL A 31 -2.077 9.104 2.936 1.00 0.00 C ATOM 473 CG2 VAL A 31 -3.110 6.841 2.656 1.00 0.00 C ATOM 0 H VAL A 31 -3.103 10.645 1.054 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.606 8.137 0.805 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.138 7.963 1.136 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.168 8.625 3.301 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.817 10.026 2.415 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.729 9.335 3.778 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.187 6.389 3.018 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.785 7.011 3.495 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.585 6.171 1.939 1.00 0.00 H new ATOM 483 N ALA A 32 -5.827 8.246 3.005 1.00 0.00 N ATOM 484 CA ALA A 32 -6.712 8.416 4.153 1.00 0.00 C ATOM 485 C ALA A 32 -6.647 7.190 5.055 1.00 0.00 C ATOM 486 O ALA A 32 -6.225 6.116 4.620 1.00 0.00 O ATOM 487 CB ALA A 32 -8.142 8.676 3.707 1.00 0.00 C ATOM 0 H ALA A 32 -5.948 7.363 2.509 1.00 0.00 H new ATOM 0 HA ALA A 32 -6.374 9.285 4.718 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -8.780 8.799 4.583 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -8.176 9.583 3.104 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -8.497 7.833 3.115 1.00 0.00 H new ATOM 493 N ALA A 33 -7.052 7.350 6.312 1.00 0.00 N ATOM 494 CA ALA A 33 -7.017 6.248 7.265 1.00 0.00 C ATOM 495 C ALA A 33 -8.406 5.671 7.516 1.00 0.00 C ATOM 496 O ALA A 33 -9.315 6.369 7.964 1.00 0.00 O ATOM 497 CB ALA A 33 -6.391 6.705 8.573 1.00 0.00 C ATOM 0 H ALA A 33 -7.406 8.228 6.692 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.406 5.456 6.832 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.371 5.873 9.277 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.373 7.049 8.389 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.980 7.521 8.993 1.00 0.00 H new ATOM 503 N ASN A 34 -8.549 4.382 7.227 1.00 0.00 N ATOM 504 CA ASN A 34 -9.808 3.674 7.418 1.00 0.00 C ATOM 505 C ASN A 34 -9.729 2.787 8.657 1.00 0.00 C ATOM 506 O ASN A 34 -9.013 1.780 8.671 1.00 0.00 O ATOM 507 CB ASN A 34 -10.138 2.833 6.172 1.00 0.00 C ATOM 508 CG ASN A 34 -11.115 1.702 6.452 1.00 0.00 C ATOM 509 OD1 ASN A 34 -11.924 1.780 7.377 1.00 0.00 O ATOM 510 ND2 ASN A 34 -11.041 0.643 5.650 1.00 0.00 N ATOM 0 H ASN A 34 -7.798 3.801 6.855 1.00 0.00 H new ATOM 0 HA ASN A 34 -10.605 4.403 7.564 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -10.556 3.483 5.403 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -9.215 2.416 5.769 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -11.671 -0.147 5.789 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -10.355 0.621 4.896 1.00 0.00 H new ATOM 517 N LYS A 35 -10.467 3.174 9.693 1.00 0.00 N ATOM 518 CA LYS A 35 -10.491 2.426 10.944 1.00 0.00 C ATOM 519 C LYS A 35 -11.848 1.759 11.142 1.00 0.00 C ATOM 520 O LYS A 35 -11.942 0.680 11.727 1.00 0.00 O ATOM 521 CB LYS A 35 -10.191 3.352 12.127 1.00 0.00 C ATOM 522 CG LYS A 35 -9.069 4.345 11.863 1.00 0.00 C ATOM 523 CD LYS A 35 -9.188 5.573 12.754 1.00 0.00 C ATOM 524 CE LYS A 35 -9.564 6.811 11.955 1.00 0.00 C ATOM 525 NZ LYS A 35 -10.993 7.182 12.146 1.00 0.00 N ATOM 0 H LYS A 35 -11.058 4.005 9.690 1.00 0.00 H new ATOM 0 HA LYS A 35 -9.723 1.655 10.894 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -11.096 3.902 12.384 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -9.929 2.745 12.994 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -8.107 3.862 12.034 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.091 4.650 10.817 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -9.939 5.394 13.523 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -8.242 5.744 13.267 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -8.929 7.644 12.256 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.374 6.632 10.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -11.209 8.030 11.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -11.600 6.397 11.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -11.169 7.378 13.152 1.00 0.00 H new ATOM 539 N GLU A 36 -12.896 2.410 10.648 1.00 0.00 N ATOM 540 CA GLU A 36 -14.250 1.883 10.767 1.00 0.00 C ATOM 541 C GLU A 36 -14.386 0.568 10.008 1.00 0.00 C ATOM 542 O GLU A 36 -14.889 -0.420 10.543 1.00 0.00 O ATOM 543 CB GLU A 36 -15.264 2.899 10.235 1.00 0.00 C ATOM 544 CG GLU A 36 -16.604 2.853 10.950 1.00 0.00 C ATOM 545 CD GLU A 36 -17.702 3.554 10.174 1.00 0.00 C ATOM 546 OE1 GLU A 36 -17.384 4.485 9.405 1.00 0.00 O ATOM 547 OE2 GLU A 36 -18.880 3.172 10.335 1.00 0.00 O ATOM 0 H GLU A 36 -12.833 3.304 10.161 1.00 0.00 H new ATOM 0 HA GLU A 36 -14.452 1.698 11.822 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -14.845 3.901 10.330 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -15.423 2.719 9.172 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -16.888 1.814 11.116 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -16.504 3.317 11.931 1.00 0.00 H new ATOM 554 N THR A 37 -13.931 0.563 8.760 1.00 0.00 N ATOM 555 CA THR A 37 -13.997 -0.632 7.927 1.00 0.00 C ATOM 556 C THR A 37 -12.681 -1.402 7.987 1.00 0.00 C ATOM 557 O THR A 37 -11.697 -0.924 8.552 1.00 0.00 O ATOM 558 CB THR A 37 -14.320 -0.255 6.479 1.00 0.00 C ATOM 559 OG1 THR A 37 -14.018 1.108 6.236 1.00 0.00 O ATOM 560 CG2 THR A 37 -15.772 -0.474 6.114 1.00 0.00 C ATOM 0 H THR A 37 -13.512 1.373 8.303 1.00 0.00 H new ATOM 0 HA THR A 37 -14.792 -1.272 8.310 1.00 0.00 H new ATOM 0 HB THR A 37 -13.704 -0.912 5.865 1.00 0.00 H new ATOM 0 HG1 THR A 37 -13.352 1.416 6.885 1.00 0.00 H new ATOM 0 HG21 THR A 37 -15.933 -0.187 5.075 1.00 0.00 H new ATOM 0 HG22 THR A 37 -16.025 -1.526 6.243 1.00 0.00 H new ATOM 0 HG23 THR A 37 -16.405 0.134 6.760 1.00 0.00 H new ATOM 568 N THR A 38 -12.670 -2.596 7.405 1.00 0.00 N ATOM 569 CA THR A 38 -11.473 -3.428 7.397 1.00 0.00 C ATOM 570 C THR A 38 -11.313 -4.145 6.061 1.00 0.00 C ATOM 571 O THR A 38 -12.082 -5.049 5.734 1.00 0.00 O ATOM 572 CB THR A 38 -11.531 -4.450 8.533 1.00 0.00 C ATOM 573 OG1 THR A 38 -12.817 -5.039 8.613 1.00 0.00 O ATOM 574 CG2 THR A 38 -11.214 -3.857 9.889 1.00 0.00 C ATOM 0 H THR A 38 -13.475 -3.009 6.934 1.00 0.00 H new ATOM 0 HA THR A 38 -10.610 -2.778 7.543 1.00 0.00 H new ATOM 0 HB THR A 38 -10.770 -5.192 8.292 1.00 0.00 H new ATOM 0 HG1 THR A 38 -13.126 -5.273 7.713 1.00 0.00 H new ATOM 0 HG21 THR A 38 -11.273 -4.636 10.649 1.00 0.00 H new ATOM 0 HG22 THR A 38 -10.208 -3.437 9.876 1.00 0.00 H new ATOM 0 HG23 THR A 38 -11.932 -3.070 10.119 1.00 0.00 H new ATOM 582 N PHE A 39 -10.308 -3.737 5.294 1.00 0.00 N ATOM 583 CA PHE A 39 -10.044 -4.343 3.994 1.00 0.00 C ATOM 584 C PHE A 39 -9.691 -5.824 4.158 1.00 0.00 C ATOM 585 O PHE A 39 -9.728 -6.356 5.266 1.00 0.00 O ATOM 586 CB PHE A 39 -8.921 -3.573 3.272 1.00 0.00 C ATOM 587 CG PHE A 39 -7.596 -4.293 3.221 1.00 0.00 C ATOM 588 CD1 PHE A 39 -7.020 -4.803 4.376 1.00 0.00 C ATOM 589 CD2 PHE A 39 -6.934 -4.467 2.018 1.00 0.00 C ATOM 590 CE1 PHE A 39 -5.813 -5.474 4.328 1.00 0.00 C ATOM 591 CE2 PHE A 39 -5.725 -5.135 1.964 1.00 0.00 C ATOM 592 CZ PHE A 39 -5.165 -5.640 3.120 1.00 0.00 C ATOM 0 H PHE A 39 -9.663 -2.989 5.550 1.00 0.00 H new ATOM 0 HA PHE A 39 -10.944 -4.283 3.381 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -9.243 -3.359 2.253 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -8.779 -2.613 3.769 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -7.521 -4.674 5.324 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -7.368 -4.076 1.110 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.377 -5.868 5.234 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.219 -5.262 1.018 1.00 0.00 H new ATOM 0 HZ PHE A 39 -4.222 -6.164 3.080 1.00 0.00 H new ATOM 602 N GLN A 40 -9.344 -6.470 3.046 1.00 0.00 N ATOM 603 CA GLN A 40 -8.973 -7.889 3.032 1.00 0.00 C ATOM 604 C GLN A 40 -9.089 -8.446 1.620 1.00 0.00 C ATOM 605 O GLN A 40 -9.635 -9.530 1.407 1.00 0.00 O ATOM 606 CB GLN A 40 -9.861 -8.709 3.966 1.00 0.00 C ATOM 607 CG GLN A 40 -11.345 -8.591 3.658 1.00 0.00 C ATOM 608 CD GLN A 40 -12.056 -7.599 4.558 1.00 0.00 C ATOM 609 OE1 GLN A 40 -11.858 -7.593 5.773 1.00 0.00 O ATOM 610 NE2 GLN A 40 -12.890 -6.754 3.963 1.00 0.00 N ATOM 0 H GLN A 40 -9.311 -6.027 2.128 1.00 0.00 H new ATOM 0 HA GLN A 40 -7.942 -7.962 3.379 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -9.568 -9.757 3.904 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -9.686 -8.389 4.993 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -11.473 -8.288 2.619 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -11.812 -9.570 3.764 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -13.023 -6.795 2.953 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -13.397 -6.064 4.516 1.00 0.00 H new ATOM 619 N GLY A 41 -8.590 -7.687 0.659 1.00 0.00 N ATOM 620 CA GLY A 41 -8.661 -8.099 -0.733 1.00 0.00 C ATOM 621 C GLY A 41 -10.059 -8.549 -1.123 1.00 0.00 C ATOM 622 O GLY A 41 -10.389 -9.731 -1.028 1.00 0.00 O ATOM 0 H GLY A 41 -8.134 -6.788 0.815 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.355 -7.271 -1.372 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.957 -8.913 -0.907 1.00 0.00 H new ATOM 626 N LEU A 42 -10.880 -7.599 -1.564 1.00 0.00 N ATOM 627 CA LEU A 42 -12.249 -7.889 -1.971 1.00 0.00 C ATOM 628 C LEU A 42 -12.501 -7.372 -3.388 1.00 0.00 C ATOM 629 O LEU A 42 -11.566 -7.227 -4.176 1.00 0.00 O ATOM 630 CB LEU A 42 -13.238 -7.250 -0.985 1.00 0.00 C ATOM 631 CG LEU A 42 -14.357 -8.164 -0.458 1.00 0.00 C ATOM 632 CD1 LEU A 42 -14.733 -9.241 -1.470 1.00 0.00 C ATOM 633 CD2 LEU A 42 -13.945 -8.795 0.863 1.00 0.00 C ATOM 0 H LEU A 42 -10.617 -6.617 -1.648 1.00 0.00 H new ATOM 0 HA LEU A 42 -12.397 -8.969 -1.965 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -12.675 -6.871 -0.132 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -13.698 -6.390 -1.471 1.00 0.00 H new ATOM 0 HG LEU A 42 -15.240 -7.545 -0.296 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -15.527 -9.865 -1.059 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -15.081 -8.771 -2.390 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -13.861 -9.858 -1.686 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -14.747 -9.439 1.224 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -13.041 -9.387 0.717 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -13.751 -8.012 1.596 1.00 0.00 H new ATOM 645 N THR A 43 -13.761 -7.092 -3.713 1.00 0.00 N ATOM 646 CA THR A 43 -14.108 -6.593 -5.037 1.00 0.00 C ATOM 647 C THR A 43 -15.080 -5.416 -4.957 1.00 0.00 C ATOM 648 O THR A 43 -15.599 -4.963 -5.977 1.00 0.00 O ATOM 649 CB THR A 43 -14.709 -7.716 -5.882 1.00 0.00 C ATOM 650 OG1 THR A 43 -14.935 -8.874 -5.097 1.00 0.00 O ATOM 651 CG2 THR A 43 -13.827 -8.114 -7.044 1.00 0.00 C ATOM 0 H THR A 43 -14.553 -7.202 -3.080 1.00 0.00 H new ATOM 0 HA THR A 43 -13.192 -6.237 -5.510 1.00 0.00 H new ATOM 0 HB THR A 43 -15.647 -7.319 -6.270 1.00 0.00 H new ATOM 0 HG1 THR A 43 -15.321 -9.579 -5.658 1.00 0.00 H new ATOM 0 HG21 THR A 43 -14.306 -8.915 -7.607 1.00 0.00 H new ATOM 0 HG22 THR A 43 -13.674 -7.254 -7.696 1.00 0.00 H new ATOM 0 HG23 THR A 43 -12.864 -8.460 -6.668 1.00 0.00 H new ATOM 659 N ILE A 44 -15.320 -4.919 -3.744 1.00 0.00 N ATOM 660 CA ILE A 44 -16.225 -3.790 -3.540 1.00 0.00 C ATOM 661 C ILE A 44 -17.690 -4.204 -3.669 1.00 0.00 C ATOM 662 O ILE A 44 -18.589 -3.371 -3.561 1.00 0.00 O ATOM 663 CB ILE A 44 -15.934 -2.648 -4.535 1.00 0.00 C ATOM 664 CG1 ILE A 44 -14.422 -2.421 -4.673 1.00 0.00 C ATOM 665 CG2 ILE A 44 -16.630 -1.369 -4.093 1.00 0.00 C ATOM 666 CD1 ILE A 44 -13.661 -2.534 -3.367 1.00 0.00 C ATOM 0 H ILE A 44 -14.900 -5.281 -2.888 1.00 0.00 H new ATOM 0 HA ILE A 44 -16.049 -3.436 -2.524 1.00 0.00 H new ATOM 0 HB ILE A 44 -16.325 -2.934 -5.511 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -14.019 -3.146 -5.381 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -14.251 -1.432 -5.097 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -16.415 -0.573 -4.806 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -17.706 -1.537 -4.050 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -16.268 -1.080 -3.106 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -12.600 -2.361 -3.548 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -14.035 -1.791 -2.663 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -13.800 -3.531 -2.950 1.00 0.00 H new ATOM 678 N ALA A 45 -17.925 -5.493 -3.891 1.00 0.00 N ATOM 679 CA ALA A 45 -19.280 -6.010 -4.023 1.00 0.00 C ATOM 680 C ALA A 45 -19.799 -6.524 -2.684 1.00 0.00 C ATOM 681 O ALA A 45 -21.008 -6.584 -2.457 1.00 0.00 O ATOM 682 CB ALA A 45 -19.322 -7.116 -5.068 1.00 0.00 C ATOM 0 H ALA A 45 -17.194 -6.198 -3.983 1.00 0.00 H new ATOM 0 HA ALA A 45 -19.927 -5.195 -4.347 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -20.340 -7.494 -5.157 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -18.996 -6.720 -6.030 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -18.659 -7.927 -4.766 1.00 0.00 H new ATOM 688 N SER A 46 -18.876 -6.894 -1.799 1.00 0.00 N ATOM 689 CA SER A 46 -19.238 -7.402 -0.482 1.00 0.00 C ATOM 690 C SER A 46 -19.255 -6.280 0.551 1.00 0.00 C ATOM 691 O SER A 46 -20.309 -5.929 1.082 1.00 0.00 O ATOM 692 CB SER A 46 -18.260 -8.496 -0.048 1.00 0.00 C ATOM 693 OG SER A 46 -18.784 -9.251 1.030 1.00 0.00 O ATOM 0 H SER A 46 -17.872 -6.851 -1.972 1.00 0.00 H new ATOM 0 HA SER A 46 -20.241 -7.825 -0.547 1.00 0.00 H new ATOM 0 HB2 SER A 46 -18.051 -9.156 -0.890 1.00 0.00 H new ATOM 0 HB3 SER A 46 -17.313 -8.045 0.247 1.00 0.00 H new ATOM 0 HG SER A 46 -18.141 -9.944 1.287 1.00 0.00 H new ATOM 699 N GLY A 47 -18.082 -5.720 0.836 1.00 0.00 N ATOM 700 CA GLY A 47 -17.994 -4.645 1.808 1.00 0.00 C ATOM 701 C GLY A 47 -16.695 -3.867 1.712 1.00 0.00 C ATOM 702 O GLY A 47 -16.184 -3.377 2.720 1.00 0.00 O ATOM 0 H GLY A 47 -17.194 -5.991 0.413 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -18.832 -3.963 1.664 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -18.090 -5.060 2.811 1.00 0.00 H new ATOM 706 N ALA A 48 -16.161 -3.745 0.501 1.00 0.00 N ATOM 707 CA ALA A 48 -14.917 -3.012 0.288 1.00 0.00 C ATOM 708 C ALA A 48 -15.196 -1.603 -0.226 1.00 0.00 C ATOM 709 O ALA A 48 -16.310 -1.300 -0.653 1.00 0.00 O ATOM 710 CB ALA A 48 -14.016 -3.763 -0.681 1.00 0.00 C ATOM 0 H ALA A 48 -16.568 -4.143 -0.346 1.00 0.00 H new ATOM 0 HA ALA A 48 -14.404 -2.928 1.246 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -13.093 -3.202 -0.828 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -13.782 -4.746 -0.273 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -14.527 -3.879 -1.637 1.00 0.00 H new ATOM 716 N ARG A 49 -14.182 -0.743 -0.181 1.00 0.00 N ATOM 717 CA ARG A 49 -14.331 0.635 -0.641 1.00 0.00 C ATOM 718 C ARG A 49 -13.558 0.871 -1.936 1.00 0.00 C ATOM 719 O ARG A 49 -12.524 0.248 -2.177 1.00 0.00 O ATOM 720 CB ARG A 49 -13.852 1.609 0.437 1.00 0.00 C ATOM 721 CG ARG A 49 -14.973 2.146 1.314 1.00 0.00 C ATOM 722 CD ARG A 49 -14.729 1.843 2.785 1.00 0.00 C ATOM 723 NE ARG A 49 -14.072 2.952 3.472 1.00 0.00 N ATOM 724 CZ ARG A 49 -14.706 4.043 3.896 1.00 0.00 C ATOM 725 NH1 ARG A 49 -16.012 4.177 3.704 1.00 0.00 N ATOM 726 NH2 ARG A 49 -14.032 5.004 4.514 1.00 0.00 N ATOM 0 H ARG A 49 -13.252 -0.974 0.168 1.00 0.00 H new ATOM 0 HA ARG A 49 -15.389 0.810 -0.838 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -13.117 1.108 1.067 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -13.344 2.446 -0.041 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -15.061 3.223 1.174 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -15.921 1.706 1.004 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -15.679 1.627 3.273 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -14.114 0.947 2.873 1.00 0.00 H new ATOM 0 HE ARG A 49 -13.068 2.887 3.637 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -16.536 3.442 3.229 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -16.492 5.015 4.031 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -13.028 4.907 4.664 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -14.518 5.840 4.839 1.00 0.00 H new ATOM 740 N GLU A 50 -14.067 1.781 -2.765 1.00 0.00 N ATOM 741 CA GLU A 50 -13.424 2.108 -4.035 1.00 0.00 C ATOM 742 C GLU A 50 -11.998 2.605 -3.810 1.00 0.00 C ATOM 743 O GLU A 50 -11.135 2.472 -4.680 1.00 0.00 O ATOM 744 CB GLU A 50 -14.234 3.170 -4.781 1.00 0.00 C ATOM 745 CG GLU A 50 -15.232 2.589 -5.770 1.00 0.00 C ATOM 746 CD GLU A 50 -16.668 2.737 -5.305 1.00 0.00 C ATOM 747 OE1 GLU A 50 -17.035 3.842 -4.854 1.00 0.00 O ATOM 748 OE2 GLU A 50 -17.425 1.748 -5.394 1.00 0.00 O ATOM 0 H GLU A 50 -14.923 2.304 -2.579 1.00 0.00 H new ATOM 0 HA GLU A 50 -13.383 1.201 -4.638 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -14.769 3.783 -4.056 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -13.549 3.830 -5.314 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -15.113 3.084 -6.734 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -15.011 1.533 -5.925 1.00 0.00 H new ATOM 755 N SER A 51 -11.761 3.177 -2.634 1.00 0.00 N ATOM 756 CA SER A 51 -10.445 3.695 -2.281 1.00 0.00 C ATOM 757 C SER A 51 -9.454 2.555 -2.063 1.00 0.00 C ATOM 758 O SER A 51 -8.375 2.534 -2.653 1.00 0.00 O ATOM 759 CB SER A 51 -10.545 4.548 -1.024 1.00 0.00 C ATOM 760 OG SER A 51 -11.239 3.864 0.005 1.00 0.00 O ATOM 0 H SER A 51 -12.467 3.294 -1.907 1.00 0.00 H new ATOM 0 HA SER A 51 -10.083 4.310 -3.105 1.00 0.00 H new ATOM 0 HB2 SER A 51 -9.545 4.811 -0.679 1.00 0.00 H new ATOM 0 HB3 SER A 51 -11.059 5.481 -1.255 1.00 0.00 H new ATOM 0 HG SER A 51 -10.614 3.292 0.497 1.00 0.00 H new ATOM 766 N GLU A 52 -9.826 1.603 -1.217 1.00 0.00 N ATOM 767 CA GLU A 52 -8.968 0.459 -0.939 1.00 0.00 C ATOM 768 C GLU A 52 -8.548 -0.225 -2.240 1.00 0.00 C ATOM 769 O GLU A 52 -7.362 -0.452 -2.483 1.00 0.00 O ATOM 770 CB GLU A 52 -9.695 -0.537 -0.037 1.00 0.00 C ATOM 771 CG GLU A 52 -9.653 -0.168 1.436 1.00 0.00 C ATOM 772 CD GLU A 52 -10.812 0.716 1.850 1.00 0.00 C ATOM 773 OE1 GLU A 52 -10.816 1.906 1.472 1.00 0.00 O ATOM 774 OE2 GLU A 52 -11.715 0.219 2.554 1.00 0.00 O ATOM 0 H GLU A 52 -10.713 1.600 -0.713 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.073 0.815 -0.428 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -10.735 -0.610 -0.355 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.251 -1.524 -0.168 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -9.664 -1.079 2.035 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -8.715 0.344 1.652 1.00 0.00 H new ATOM 781 N LYS A 53 -9.534 -0.551 -3.073 1.00 0.00 N ATOM 782 CA LYS A 53 -9.275 -1.210 -4.351 1.00 0.00 C ATOM 783 C LYS A 53 -8.336 -0.376 -5.227 1.00 0.00 C ATOM 784 O LYS A 53 -7.292 -0.868 -5.665 1.00 0.00 O ATOM 785 CB LYS A 53 -10.588 -1.492 -5.089 1.00 0.00 C ATOM 786 CG LYS A 53 -11.540 -0.307 -5.107 1.00 0.00 C ATOM 787 CD LYS A 53 -12.089 -0.011 -6.500 1.00 0.00 C ATOM 788 CE LYS A 53 -11.012 -0.073 -7.573 1.00 0.00 C ATOM 789 NZ LYS A 53 -11.335 0.798 -8.737 1.00 0.00 N ATOM 0 H LYS A 53 -10.520 -0.369 -2.886 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.783 -2.160 -4.142 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -10.364 -1.783 -6.115 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -11.085 -2.340 -4.618 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -12.370 -0.503 -4.428 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -11.022 0.575 -4.730 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -12.876 -0.727 -6.737 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -12.546 0.978 -6.505 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -10.057 0.232 -7.146 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -10.896 -1.103 -7.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -10.483 0.929 -9.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -12.080 0.351 -9.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -11.668 1.723 -8.397 1.00 0.00 H new ATOM 803 N VAL A 54 -8.690 0.888 -5.480 1.00 0.00 N ATOM 804 CA VAL A 54 -7.851 1.744 -6.293 1.00 0.00 C ATOM 805 C VAL A 54 -6.449 1.810 -5.710 1.00 0.00 C ATOM 806 O VAL A 54 -5.457 1.656 -6.421 1.00 0.00 O ATOM 807 CB VAL A 54 -8.427 3.162 -6.403 1.00 0.00 C ATOM 808 CG1 VAL A 54 -9.720 3.158 -7.202 1.00 0.00 C ATOM 809 CG2 VAL A 54 -8.639 3.783 -5.033 1.00 0.00 C ATOM 0 H VAL A 54 -9.543 1.328 -5.134 1.00 0.00 H new ATOM 0 HA VAL A 54 -7.814 1.313 -7.293 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.699 3.775 -6.933 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -10.111 4.174 -7.267 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -9.527 2.779 -8.205 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -10.451 2.519 -6.707 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -9.048 4.787 -5.148 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -9.335 3.171 -4.460 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.686 3.837 -4.507 1.00 0.00 H new ATOM 819 N PHE A 55 -6.382 2.015 -4.400 1.00 0.00 N ATOM 820 CA PHE A 55 -5.105 2.075 -3.698 1.00 0.00 C ATOM 821 C PHE A 55 -4.259 0.860 -4.056 1.00 0.00 C ATOM 822 O PHE A 55 -3.073 0.980 -4.361 1.00 0.00 O ATOM 823 CB PHE A 55 -5.326 2.128 -2.183 1.00 0.00 C ATOM 824 CG PHE A 55 -4.231 2.832 -1.425 1.00 0.00 C ATOM 825 CD1 PHE A 55 -2.992 3.063 -2.006 1.00 0.00 C ATOM 826 CD2 PHE A 55 -4.445 3.264 -0.128 1.00 0.00 C ATOM 827 CE1 PHE A 55 -1.992 3.710 -1.306 1.00 0.00 C ATOM 828 CE2 PHE A 55 -3.449 3.912 0.578 1.00 0.00 C ATOM 829 CZ PHE A 55 -2.220 4.135 -0.012 1.00 0.00 C ATOM 0 H PHE A 55 -7.198 2.143 -3.801 1.00 0.00 H new ATOM 0 HA PHE A 55 -4.582 2.981 -4.005 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -6.273 2.630 -1.982 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -5.418 1.110 -1.804 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -2.807 2.733 -3.018 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.404 3.092 0.339 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.033 3.883 -1.770 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.631 4.244 1.590 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.439 4.640 0.537 1.00 0.00 H new ATOM 839 N ALA A 56 -4.887 -0.312 -4.034 1.00 0.00 N ATOM 840 CA ALA A 56 -4.202 -1.550 -4.373 1.00 0.00 C ATOM 841 C ALA A 56 -3.676 -1.492 -5.801 1.00 0.00 C ATOM 842 O ALA A 56 -2.557 -1.921 -6.082 1.00 0.00 O ATOM 843 CB ALA A 56 -5.140 -2.735 -4.204 1.00 0.00 C ATOM 0 H ALA A 56 -5.869 -0.428 -3.785 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.356 -1.675 -3.697 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.614 -3.655 -4.461 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.478 -2.787 -3.169 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.001 -2.614 -4.861 1.00 0.00 H new ATOM 849 N GLN A 57 -4.498 -0.958 -6.699 1.00 0.00 N ATOM 850 CA GLN A 57 -4.123 -0.841 -8.104 1.00 0.00 C ATOM 851 C GLN A 57 -2.967 0.141 -8.292 1.00 0.00 C ATOM 852 O GLN A 57 -2.089 -0.076 -9.127 1.00 0.00 O ATOM 853 CB GLN A 57 -5.326 -0.395 -8.937 1.00 0.00 C ATOM 854 CG GLN A 57 -6.430 -1.436 -9.013 1.00 0.00 C ATOM 855 CD GLN A 57 -6.027 -2.656 -9.818 1.00 0.00 C ATOM 856 OE1 GLN A 57 -4.855 -2.839 -10.145 1.00 0.00 O ATOM 857 NE2 GLN A 57 -7.001 -3.498 -10.143 1.00 0.00 N ATOM 0 H GLN A 57 -5.427 -0.600 -6.479 1.00 0.00 H new ATOM 0 HA GLN A 57 -3.793 -1.823 -8.444 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -5.732 0.523 -8.512 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -4.991 -0.158 -9.947 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -6.703 -1.745 -8.004 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -7.317 -0.987 -9.460 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -7.959 -3.307 -9.851 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -6.791 -4.336 -10.685 1.00 0.00 H new ATOM 866 N THR A 58 -2.965 1.216 -7.507 1.00 0.00 N ATOM 867 CA THR A 58 -1.909 2.219 -7.594 1.00 0.00 C ATOM 868 C THR A 58 -0.630 1.683 -6.976 1.00 0.00 C ATOM 869 O THR A 58 0.440 1.730 -7.586 1.00 0.00 O ATOM 870 CB THR A 58 -2.331 3.508 -6.882 1.00 0.00 C ATOM 871 OG1 THR A 58 -2.537 3.267 -5.503 1.00 0.00 O ATOM 872 CG2 THR A 58 -3.604 4.107 -7.437 1.00 0.00 C ATOM 0 H THR A 58 -3.680 1.414 -6.807 1.00 0.00 H new ATOM 0 HA THR A 58 -1.732 2.444 -8.646 1.00 0.00 H new ATOM 0 HB THR A 58 -1.516 4.213 -7.046 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.036 2.432 -5.388 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.847 5.017 -6.889 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.465 4.345 -8.492 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.419 3.391 -7.331 1.00 0.00 H new ATOM 880 N VAL A 59 -0.755 1.169 -5.759 1.00 0.00 N ATOM 881 CA VAL A 59 0.376 0.618 -5.048 1.00 0.00 C ATOM 882 C VAL A 59 0.974 -0.566 -5.805 1.00 0.00 C ATOM 883 O VAL A 59 2.187 -0.652 -5.977 1.00 0.00 O ATOM 884 CB VAL A 59 -0.023 0.188 -3.619 1.00 0.00 C ATOM 885 CG1 VAL A 59 -0.786 1.301 -2.917 1.00 0.00 C ATOM 886 CG2 VAL A 59 -0.832 -1.100 -3.626 1.00 0.00 C ATOM 0 H VAL A 59 -1.636 1.125 -5.247 1.00 0.00 H new ATOM 0 HA VAL A 59 1.132 1.400 -4.975 1.00 0.00 H new ATOM 0 HB VAL A 59 0.895 -0.005 -3.064 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.058 0.978 -1.912 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.158 2.190 -2.855 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.690 1.534 -3.480 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.094 -1.371 -2.603 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.742 -0.955 -4.208 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -0.240 -1.899 -4.072 1.00 0.00 H new ATOM 896 N LEU A 60 0.117 -1.478 -6.260 1.00 0.00 N ATOM 897 CA LEU A 60 0.576 -2.652 -6.994 1.00 0.00 C ATOM 898 C LEU A 60 1.184 -2.269 -8.340 1.00 0.00 C ATOM 899 O LEU A 60 2.253 -2.756 -8.705 1.00 0.00 O ATOM 900 CB LEU A 60 -0.579 -3.632 -7.209 1.00 0.00 C ATOM 901 CG LEU A 60 -0.224 -4.878 -8.023 1.00 0.00 C ATOM 902 CD1 LEU A 60 0.478 -5.904 -7.148 1.00 0.00 C ATOM 903 CD2 LEU A 60 -1.471 -5.475 -8.660 1.00 0.00 C ATOM 0 H LEU A 60 -0.894 -1.426 -6.133 1.00 0.00 H new ATOM 0 HA LEU A 60 1.350 -3.131 -6.395 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.955 -3.947 -6.236 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.392 -3.108 -7.711 1.00 0.00 H new ATOM 0 HG LEU A 60 0.458 -4.585 -8.821 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.723 -6.783 -7.744 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.394 -5.472 -6.745 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.179 -6.193 -6.328 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.198 -6.360 -9.235 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.180 -5.753 -7.880 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.929 -4.740 -9.322 1.00 0.00 H new ATOM 915 N SER A 61 0.493 -1.411 -9.085 1.00 0.00 N ATOM 916 CA SER A 61 0.973 -0.990 -10.397 1.00 0.00 C ATOM 917 C SER A 61 2.320 -0.279 -10.306 1.00 0.00 C ATOM 918 O SER A 61 3.317 -0.762 -10.842 1.00 0.00 O ATOM 919 CB SER A 61 -0.046 -0.082 -11.075 1.00 0.00 C ATOM 920 OG SER A 61 -1.257 -0.772 -11.331 1.00 0.00 O ATOM 0 H SER A 61 -0.396 -0.996 -8.805 1.00 0.00 H new ATOM 0 HA SER A 61 1.107 -1.891 -10.996 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.244 0.783 -10.442 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.365 0.295 -12.011 1.00 0.00 H new ATOM 0 HG SER A 61 -1.731 -0.925 -10.487 1.00 0.00 H new ATOM 926 N HIS A 62 2.351 0.874 -9.633 1.00 0.00 N ATOM 927 CA HIS A 62 3.591 1.637 -9.492 1.00 0.00 C ATOM 928 C HIS A 62 4.737 0.725 -9.069 1.00 0.00 C ATOM 929 O HIS A 62 5.894 0.953 -9.421 1.00 0.00 O ATOM 930 CB HIS A 62 3.411 2.771 -8.480 1.00 0.00 C ATOM 931 CG HIS A 62 3.521 4.135 -9.089 1.00 0.00 C ATOM 932 ND1 HIS A 62 3.479 5.297 -8.348 1.00 0.00 N ATOM 933 CD2 HIS A 62 3.675 4.521 -10.379 1.00 0.00 C ATOM 934 CE1 HIS A 62 3.601 6.336 -9.154 1.00 0.00 C ATOM 935 NE2 HIS A 62 3.722 5.892 -10.391 1.00 0.00 N ATOM 0 H HIS A 62 1.539 1.296 -9.182 1.00 0.00 H new ATOM 0 HA HIS A 62 3.837 2.073 -10.460 1.00 0.00 H new ATOM 0 HB2 HIS A 62 2.436 2.671 -8.004 1.00 0.00 H new ATOM 0 HB3 HIS A 62 4.161 2.670 -7.695 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.747 3.870 -11.238 1.00 0.00 H new ATOM 0 HE1 HIS A 62 3.602 7.373 -8.852 1.00 0.00 H new ATOM 0 HE2 HIS A 62 3.833 6.474 -11.221 1.00 0.00 H new ATOM 944 N VAL A 63 4.396 -0.320 -8.328 1.00 0.00 N ATOM 945 CA VAL A 63 5.375 -1.290 -7.866 1.00 0.00 C ATOM 946 C VAL A 63 5.693 -2.276 -8.987 1.00 0.00 C ATOM 947 O VAL A 63 6.784 -2.251 -9.558 1.00 0.00 O ATOM 948 CB VAL A 63 4.848 -2.016 -6.614 1.00 0.00 C ATOM 949 CG1 VAL A 63 5.620 -3.291 -6.296 1.00 0.00 C ATOM 950 CG2 VAL A 63 4.861 -1.066 -5.428 1.00 0.00 C ATOM 0 H VAL A 63 3.440 -0.517 -8.033 1.00 0.00 H new ATOM 0 HA VAL A 63 6.297 -0.776 -7.593 1.00 0.00 H new ATOM 0 HB VAL A 63 3.825 -2.326 -6.824 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.202 -3.757 -5.404 1.00 0.00 H new ATOM 0 HG12 VAL A 63 5.543 -3.982 -7.136 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.668 -3.048 -6.121 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.488 -1.583 -4.544 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.880 -0.725 -5.246 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.224 -0.208 -5.642 1.00 0.00 H new ATOM 960 N ALA A 64 4.721 -3.124 -9.312 1.00 0.00 N ATOM 961 CA ALA A 64 4.863 -4.109 -10.384 1.00 0.00 C ATOM 962 C ALA A 64 6.251 -4.760 -10.410 1.00 0.00 C ATOM 963 O ALA A 64 6.705 -5.213 -11.461 1.00 0.00 O ATOM 964 CB ALA A 64 4.575 -3.455 -11.727 1.00 0.00 C ATOM 0 H ALA A 64 3.816 -3.149 -8.843 1.00 0.00 H new ATOM 0 HA ALA A 64 4.140 -4.901 -10.189 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.682 -4.193 -12.522 1.00 0.00 H new ATOM 0 HB2 ALA A 64 3.558 -3.063 -11.730 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.278 -2.639 -11.893 1.00 0.00 H new ATOM 970 N ASN A 65 6.920 -4.802 -9.257 1.00 0.00 N ATOM 971 CA ASN A 65 8.258 -5.393 -9.150 1.00 0.00 C ATOM 972 C ASN A 65 8.938 -4.958 -7.853 1.00 0.00 C ATOM 973 O ASN A 65 9.053 -5.740 -6.909 1.00 0.00 O ATOM 974 CB ASN A 65 9.132 -4.992 -10.345 1.00 0.00 C ATOM 975 CG ASN A 65 9.432 -6.162 -11.262 1.00 0.00 C ATOM 976 OD1 ASN A 65 10.468 -6.923 -10.930 1.00 0.00 O flip ATOM 977 ND2 ASN A 65 8.740 -6.380 -12.257 1.00 0.00 N flip ATOM 0 H ASN A 65 6.556 -4.432 -8.379 1.00 0.00 H new ATOM 0 HA ASN A 65 8.141 -6.477 -9.147 1.00 0.00 H new ATOM 0 HB2 ASN A 65 8.629 -4.209 -10.913 1.00 0.00 H new ATOM 0 HB3 ASN A 65 10.069 -4.570 -9.981 1.00 0.00 H new ATOM 0 HD21 ASN A 65 7.953 -5.769 -12.474 1.00 0.00 H new ATOM 0 HD22 ASN A 65 8.954 -7.172 -12.864 1.00 0.00 H new ATOM 984 N VAL A 66 9.386 -3.702 -7.819 1.00 0.00 N ATOM 985 CA VAL A 66 10.055 -3.142 -6.644 1.00 0.00 C ATOM 986 C VAL A 66 11.072 -4.115 -6.056 1.00 0.00 C ATOM 987 O VAL A 66 11.458 -5.085 -6.710 1.00 0.00 O ATOM 988 CB VAL A 66 9.035 -2.725 -5.572 1.00 0.00 C ATOM 989 CG1 VAL A 66 8.068 -1.715 -6.159 1.00 0.00 C ATOM 990 CG2 VAL A 66 8.302 -3.936 -5.014 1.00 0.00 C ATOM 0 H VAL A 66 9.297 -3.049 -8.598 1.00 0.00 H new ATOM 0 HA VAL A 66 10.593 -2.254 -6.976 1.00 0.00 H new ATOM 0 HB VAL A 66 9.564 -2.260 -4.740 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.345 -1.419 -5.399 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.619 -0.837 -6.496 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.544 -2.161 -7.004 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.587 -3.612 -4.258 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.773 -4.444 -5.820 1.00 0.00 H new ATOM 0 HG23 VAL A 66 9.021 -4.621 -4.564 1.00 0.00 H new ATOM 1000 N VAL A 67 11.530 -3.846 -4.836 1.00 0.00 N ATOM 1001 CA VAL A 67 12.512 -4.682 -4.207 1.00 0.00 C ATOM 1002 C VAL A 67 12.355 -4.685 -2.691 1.00 0.00 C ATOM 1003 O VAL A 67 13.265 -4.292 -1.960 1.00 0.00 O ATOM 1004 CB VAL A 67 13.910 -4.192 -4.550 1.00 0.00 C ATOM 1005 CG1 VAL A 67 14.184 -4.302 -6.040 1.00 0.00 C ATOM 1006 CG2 VAL A 67 14.133 -2.777 -4.047 1.00 0.00 C ATOM 0 H VAL A 67 11.227 -3.051 -4.274 1.00 0.00 H new ATOM 0 HA VAL A 67 12.364 -5.696 -4.578 1.00 0.00 H new ATOM 0 HB VAL A 67 14.623 -4.839 -4.039 1.00 0.00 H new ATOM 0 HG11 VAL A 67 15.191 -3.944 -6.252 1.00 0.00 H new ATOM 0 HG12 VAL A 67 14.096 -5.343 -6.350 1.00 0.00 H new ATOM 0 HG13 VAL A 67 13.461 -3.698 -6.588 1.00 0.00 H new ATOM 0 HG21 VAL A 67 15.141 -2.453 -4.307 1.00 0.00 H new ATOM 0 HG22 VAL A 67 13.407 -2.108 -4.509 1.00 0.00 H new ATOM 0 HG23 VAL A 67 14.012 -2.752 -2.964 1.00 0.00 H new ATOM 1016 N LEU A 68 11.202 -5.126 -2.223 1.00 0.00 N ATOM 1017 CA LEU A 68 10.935 -5.173 -0.795 1.00 0.00 C ATOM 1018 C LEU A 68 12.069 -5.841 -0.035 1.00 0.00 C ATOM 1019 O LEU A 68 12.167 -7.065 0.001 1.00 0.00 O ATOM 1020 CB LEU A 68 9.636 -5.925 -0.527 1.00 0.00 C ATOM 1021 CG LEU A 68 8.454 -5.494 -1.391 1.00 0.00 C ATOM 1022 CD1 LEU A 68 8.042 -6.627 -2.318 1.00 0.00 C ATOM 1023 CD2 LEU A 68 7.285 -5.044 -0.522 1.00 0.00 C ATOM 0 H LEU A 68 10.435 -5.457 -2.809 1.00 0.00 H new ATOM 0 HA LEU A 68 10.846 -4.145 -0.445 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.811 -6.990 -0.681 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.368 -5.795 0.521 1.00 0.00 H new ATOM 0 HG LEU A 68 8.759 -4.644 -2.002 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.198 -6.308 -2.930 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.879 -6.891 -2.964 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.753 -7.495 -1.726 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.454 -4.741 -1.159 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.970 -5.867 0.119 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.594 -4.201 0.096 1.00 0.00 H new ATOM 1035 N THR A 69 12.911 -5.034 0.591 1.00 0.00 N ATOM 1036 CA THR A 69 14.016 -5.567 1.368 1.00 0.00 C ATOM 1037 C THR A 69 13.472 -6.430 2.500 1.00 0.00 C ATOM 1038 O THR A 69 12.293 -6.782 2.508 1.00 0.00 O ATOM 1039 CB THR A 69 14.873 -4.430 1.927 1.00 0.00 C ATOM 1040 OG1 THR A 69 14.196 -3.761 2.976 1.00 0.00 O ATOM 1041 CG2 THR A 69 15.246 -3.396 0.886 1.00 0.00 C ATOM 0 H THR A 69 12.851 -4.016 0.576 1.00 0.00 H new ATOM 0 HA THR A 69 14.644 -6.180 0.722 1.00 0.00 H new ATOM 0 HB THR A 69 15.786 -4.905 2.287 1.00 0.00 H new ATOM 0 HG1 THR A 69 14.761 -3.039 3.321 1.00 0.00 H new ATOM 0 HG21 THR A 69 15.853 -2.618 1.348 1.00 0.00 H new ATOM 0 HG22 THR A 69 15.813 -3.873 0.087 1.00 0.00 H new ATOM 0 HG23 THR A 69 14.340 -2.952 0.473 1.00 0.00 H new ATOM 1049 N GLN A 70 14.324 -6.768 3.454 1.00 0.00 N ATOM 1050 CA GLN A 70 13.907 -7.588 4.583 1.00 0.00 C ATOM 1051 C GLN A 70 12.736 -6.939 5.325 1.00 0.00 C ATOM 1052 O GLN A 70 11.851 -7.627 5.849 1.00 0.00 O ATOM 1053 CB GLN A 70 15.088 -7.796 5.534 1.00 0.00 C ATOM 1054 CG GLN A 70 15.586 -6.511 6.176 1.00 0.00 C ATOM 1055 CD GLN A 70 14.806 -6.139 7.422 1.00 0.00 C ATOM 1056 OE1 GLN A 70 14.143 -5.104 7.467 1.00 0.00 O ATOM 1057 NE2 GLN A 70 14.885 -6.983 8.443 1.00 0.00 N ATOM 0 H GLN A 70 15.305 -6.489 3.471 1.00 0.00 H new ATOM 0 HA GLN A 70 13.574 -8.555 4.207 1.00 0.00 H new ATOM 0 HB2 GLN A 70 14.794 -8.494 6.318 1.00 0.00 H new ATOM 0 HB3 GLN A 70 15.908 -8.260 4.986 1.00 0.00 H new ATOM 0 HG2 GLN A 70 16.640 -6.622 6.432 1.00 0.00 H new ATOM 0 HG3 GLN A 70 15.517 -5.698 5.453 1.00 0.00 H new ATOM 0 HE21 GLN A 70 15.447 -7.830 8.362 1.00 0.00 H new ATOM 0 HE22 GLN A 70 14.384 -6.784 9.309 1.00 0.00 H new ATOM 1066 N GLU A 71 12.734 -5.610 5.359 1.00 0.00 N ATOM 1067 CA GLU A 71 11.682 -4.864 6.034 1.00 0.00 C ATOM 1068 C GLU A 71 10.368 -4.956 5.274 1.00 0.00 C ATOM 1069 O GLU A 71 9.394 -5.527 5.766 1.00 0.00 O ATOM 1070 CB GLU A 71 12.088 -3.397 6.182 1.00 0.00 C ATOM 1071 CG GLU A 71 11.119 -2.580 7.022 1.00 0.00 C ATOM 1072 CD GLU A 71 10.511 -1.422 6.253 1.00 0.00 C ATOM 1073 OE1 GLU A 71 11.158 -0.936 5.302 1.00 0.00 O ATOM 1074 OE2 GLU A 71 9.388 -1.002 6.603 1.00 0.00 O ATOM 0 H GLU A 71 13.451 -5.028 4.926 1.00 0.00 H new ATOM 0 HA GLU A 71 11.541 -5.304 7.021 1.00 0.00 H new ATOM 0 HB2 GLU A 71 13.079 -3.347 6.633 1.00 0.00 H new ATOM 0 HB3 GLU A 71 12.165 -2.948 5.192 1.00 0.00 H new ATOM 0 HG2 GLU A 71 10.322 -3.229 7.384 1.00 0.00 H new ATOM 0 HG3 GLU A 71 11.640 -2.195 7.899 1.00 0.00 H new ATOM 1081 N ASP A 72 10.343 -4.390 4.073 1.00 0.00 N ATOM 1082 CA ASP A 72 9.142 -4.404 3.250 1.00 0.00 C ATOM 1083 C ASP A 72 8.579 -5.824 3.123 1.00 0.00 C ATOM 1084 O ASP A 72 7.376 -6.007 2.941 1.00 0.00 O ATOM 1085 CB ASP A 72 9.430 -3.801 1.879 1.00 0.00 C ATOM 1086 CG ASP A 72 10.029 -2.410 1.971 1.00 0.00 C ATOM 1087 OD1 ASP A 72 10.451 -2.015 3.078 1.00 0.00 O ATOM 1088 OD2 ASP A 72 10.075 -1.715 0.934 1.00 0.00 O ATOM 0 H ASP A 72 11.141 -3.916 3.649 1.00 0.00 H new ATOM 0 HA ASP A 72 8.384 -3.792 3.739 1.00 0.00 H new ATOM 0 HB2 ASP A 72 10.114 -4.453 1.335 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.506 -3.758 1.303 1.00 0.00 H new ATOM 1093 N THR A 73 9.443 -6.833 3.256 1.00 0.00 N ATOM 1094 CA THR A 73 8.987 -8.221 3.196 1.00 0.00 C ATOM 1095 C THR A 73 8.233 -8.536 4.478 1.00 0.00 C ATOM 1096 O THR A 73 7.052 -8.924 4.451 1.00 0.00 O ATOM 1097 CB THR A 73 10.157 -9.188 3.021 1.00 0.00 C ATOM 1098 OG1 THR A 73 11.309 -8.716 3.696 1.00 0.00 O ATOM 1099 CG2 THR A 73 10.529 -9.414 1.574 1.00 0.00 C ATOM 0 H THR A 73 10.446 -6.718 3.404 1.00 0.00 H new ATOM 0 HA THR A 73 8.334 -8.344 2.332 1.00 0.00 H new ATOM 0 HB THR A 73 9.817 -10.133 3.445 1.00 0.00 H new ATOM 0 HG1 THR A 73 11.888 -8.242 3.063 1.00 0.00 H new ATOM 0 HG21 THR A 73 11.366 -10.110 1.518 1.00 0.00 H new ATOM 0 HG22 THR A 73 9.675 -9.830 1.039 1.00 0.00 H new ATOM 0 HG23 THR A 73 10.815 -8.465 1.119 1.00 0.00 H new ATOM 1107 N ALA A 74 8.899 -8.299 5.615 1.00 0.00 N ATOM 1108 CA ALA A 74 8.255 -8.492 6.904 1.00 0.00 C ATOM 1109 C ALA A 74 6.973 -7.672 6.905 1.00 0.00 C ATOM 1110 O ALA A 74 5.978 -8.021 7.536 1.00 0.00 O ATOM 1111 CB ALA A 74 9.176 -8.060 8.037 1.00 0.00 C ATOM 0 H ALA A 74 9.866 -7.979 5.662 1.00 0.00 H new ATOM 0 HA ALA A 74 8.028 -9.547 7.061 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.674 -8.213 8.992 1.00 0.00 H new ATOM 0 HB2 ALA A 74 10.090 -8.653 8.009 1.00 0.00 H new ATOM 0 HB3 ALA A 74 9.424 -7.005 7.922 1.00 0.00 H new ATOM 1117 N LYS A 75 7.031 -6.586 6.138 1.00 0.00 N ATOM 1118 CA LYS A 75 5.923 -5.670 5.951 1.00 0.00 C ATOM 1119 C LYS A 75 4.714 -6.404 5.374 1.00 0.00 C ATOM 1120 O LYS A 75 3.655 -6.458 5.999 1.00 0.00 O ATOM 1121 CB LYS A 75 6.382 -4.570 4.997 1.00 0.00 C ATOM 1122 CG LYS A 75 5.909 -3.172 5.345 1.00 0.00 C ATOM 1123 CD LYS A 75 6.908 -2.412 6.213 1.00 0.00 C ATOM 1124 CE LYS A 75 7.748 -3.329 7.090 1.00 0.00 C ATOM 1125 NZ LYS A 75 8.271 -2.622 8.291 1.00 0.00 N ATOM 0 H LYS A 75 7.869 -6.318 5.621 1.00 0.00 H new ATOM 0 HA LYS A 75 5.624 -5.241 6.907 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.472 -4.570 4.966 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.035 -4.814 3.993 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.733 -2.613 4.426 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.954 -3.235 5.867 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.567 -1.827 5.572 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.369 -1.706 6.845 1.00 0.00 H new ATOM 0 HE2 LYS A 75 7.147 -4.182 7.404 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.582 -3.723 6.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 8.906 -3.255 8.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 8.795 -1.774 7.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.477 -2.342 8.902 1.00 0.00 H new ATOM 1139 N LEU A 76 4.882 -6.981 4.179 1.00 0.00 N ATOM 1140 CA LEU A 76 3.799 -7.722 3.534 1.00 0.00 C ATOM 1141 C LEU A 76 3.239 -8.776 4.478 1.00 0.00 C ATOM 1142 O LEU A 76 2.040 -8.796 4.774 1.00 0.00 O ATOM 1143 CB LEU A 76 4.275 -8.409 2.261 1.00 0.00 C ATOM 1144 CG LEU A 76 4.650 -7.461 1.123 1.00 0.00 C ATOM 1145 CD1 LEU A 76 6.097 -7.673 0.701 1.00 0.00 C ATOM 1146 CD2 LEU A 76 3.703 -7.645 -0.055 1.00 0.00 C ATOM 0 H LEU A 76 5.750 -6.948 3.645 1.00 0.00 H new ATOM 0 HA LEU A 76 3.023 -7.001 3.279 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.140 -9.027 2.500 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.490 -9.080 1.912 1.00 0.00 H new ATOM 0 HG LEU A 76 4.553 -6.436 1.479 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.343 -6.988 -0.110 1.00 0.00 H new ATOM 0 HD12 LEU A 76 6.755 -7.483 1.549 1.00 0.00 H new ATOM 0 HD13 LEU A 76 6.230 -8.700 0.362 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.983 -6.963 -0.857 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.764 -8.672 -0.414 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.682 -7.432 0.262 1.00 0.00 H new ATOM 1158 N LEU A 77 4.121 -9.660 4.947 1.00 0.00 N ATOM 1159 CA LEU A 77 3.703 -10.725 5.851 1.00 0.00 C ATOM 1160 C LEU A 77 3.090 -10.155 7.125 1.00 0.00 C ATOM 1161 O LEU A 77 2.199 -10.762 7.712 1.00 0.00 O ATOM 1162 CB LEU A 77 4.873 -11.653 6.190 1.00 0.00 C ATOM 1163 CG LEU A 77 6.140 -10.959 6.683 1.00 0.00 C ATOM 1164 CD1 LEU A 77 6.108 -10.802 8.195 1.00 0.00 C ATOM 1165 CD2 LEU A 77 7.372 -11.742 6.252 1.00 0.00 C ATOM 0 H LEU A 77 5.115 -9.658 4.718 1.00 0.00 H new ATOM 0 HA LEU A 77 2.941 -11.311 5.337 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.545 -12.358 6.954 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.121 -12.236 5.303 1.00 0.00 H new ATOM 0 HG LEU A 77 6.188 -9.965 6.237 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.019 -10.305 8.529 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.243 -10.203 8.480 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.039 -11.785 8.661 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.268 -11.236 6.610 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.330 -12.747 6.672 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.401 -11.805 5.164 1.00 0.00 H new ATOM 1177 N GLN A 78 3.557 -8.982 7.543 1.00 0.00 N ATOM 1178 CA GLN A 78 3.026 -8.344 8.744 1.00 0.00 C ATOM 1179 C GLN A 78 1.609 -7.842 8.495 1.00 0.00 C ATOM 1180 O GLN A 78 0.665 -8.244 9.178 1.00 0.00 O ATOM 1181 CB GLN A 78 3.920 -7.184 9.185 1.00 0.00 C ATOM 1182 CG GLN A 78 4.967 -7.576 10.205 1.00 0.00 C ATOM 1183 CD GLN A 78 4.410 -8.409 11.345 1.00 0.00 C ATOM 1184 OE1 GLN A 78 3.495 -7.983 12.051 1.00 0.00 O ATOM 1185 NE2 GLN A 78 4.961 -9.603 11.529 1.00 0.00 N ATOM 0 H GLN A 78 4.295 -8.458 7.073 1.00 0.00 H new ATOM 0 HA GLN A 78 3.005 -9.087 9.541 1.00 0.00 H new ATOM 0 HB2 GLN A 78 4.417 -6.767 8.309 1.00 0.00 H new ATOM 0 HB3 GLN A 78 3.296 -6.395 9.603 1.00 0.00 H new ATOM 0 HG2 GLN A 78 5.758 -8.137 9.707 1.00 0.00 H new ATOM 0 HG3 GLN A 78 5.424 -6.674 10.612 1.00 0.00 H new ATOM 0 HE21 GLN A 78 5.717 -9.915 10.920 1.00 0.00 H new ATOM 0 HE22 GLN A 78 4.628 -10.208 12.280 1.00 0.00 H new ATOM 1194 N SER A 79 1.468 -6.967 7.504 1.00 0.00 N ATOM 1195 CA SER A 79 0.166 -6.412 7.153 1.00 0.00 C ATOM 1196 C SER A 79 -0.865 -7.520 6.976 1.00 0.00 C ATOM 1197 O SER A 79 -2.038 -7.350 7.310 1.00 0.00 O ATOM 1198 CB SER A 79 0.271 -5.596 5.864 1.00 0.00 C ATOM 1199 OG SER A 79 -0.692 -4.557 5.838 1.00 0.00 O ATOM 0 H SER A 79 2.240 -6.627 6.930 1.00 0.00 H new ATOM 0 HA SER A 79 -0.157 -5.762 7.966 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.271 -5.171 5.779 1.00 0.00 H new ATOM 0 HB3 SER A 79 0.129 -6.250 5.003 1.00 0.00 H new ATOM 0 HG SER A 79 -0.961 -4.383 4.912 1.00 0.00 H new ATOM 1205 N THR A 80 -0.420 -8.650 6.438 1.00 0.00 N ATOM 1206 CA THR A 80 -1.308 -9.781 6.205 1.00 0.00 C ATOM 1207 C THR A 80 -1.455 -10.658 7.447 1.00 0.00 C ATOM 1208 O THR A 80 -2.562 -10.851 7.948 1.00 0.00 O ATOM 1209 CB THR A 80 -0.791 -10.615 5.038 1.00 0.00 C ATOM 1210 OG1 THR A 80 -0.284 -9.777 4.016 1.00 0.00 O ATOM 1211 CG2 THR A 80 -1.851 -11.501 4.426 1.00 0.00 C ATOM 0 H THR A 80 0.548 -8.806 6.156 1.00 0.00 H new ATOM 0 HA THR A 80 -2.294 -9.382 5.965 1.00 0.00 H new ATOM 0 HB THR A 80 -0.008 -11.249 5.453 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.175 -10.322 3.343 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.419 -12.068 3.601 1.00 0.00 H new ATOM 0 HG22 THR A 80 -2.230 -12.190 5.181 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.670 -10.885 4.054 1.00 0.00 H new ATOM 1219 N VAL A 81 -0.338 -11.198 7.935 1.00 0.00 N ATOM 1220 CA VAL A 81 -0.358 -12.066 9.112 1.00 0.00 C ATOM 1221 C VAL A 81 -1.216 -11.478 10.229 1.00 0.00 C ATOM 1222 O VAL A 81 -1.819 -12.213 11.011 1.00 0.00 O ATOM 1223 CB VAL A 81 1.064 -12.339 9.649 1.00 0.00 C ATOM 1224 CG1 VAL A 81 1.645 -11.102 10.321 1.00 0.00 C ATOM 1225 CG2 VAL A 81 1.050 -13.517 10.612 1.00 0.00 C ATOM 0 H VAL A 81 0.589 -11.050 7.535 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.796 -13.010 8.788 1.00 0.00 H new ATOM 0 HB VAL A 81 1.703 -12.589 8.802 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.647 -11.324 10.689 1.00 0.00 H new ATOM 0 HG12 VAL A 81 1.696 -10.286 9.600 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.008 -10.809 11.156 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.060 -13.697 10.982 1.00 0.00 H new ATOM 0 HG22 VAL A 81 0.391 -13.293 11.451 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.690 -14.406 10.094 1.00 0.00 H new ATOM 1235 N LYS A 82 -1.272 -10.150 10.298 1.00 0.00 N ATOM 1236 CA LYS A 82 -2.064 -9.474 11.320 1.00 0.00 C ATOM 1237 C LYS A 82 -3.486 -10.029 11.361 1.00 0.00 C ATOM 1238 O LYS A 82 -3.994 -10.388 12.423 1.00 0.00 O ATOM 1239 CB LYS A 82 -2.100 -7.968 11.055 1.00 0.00 C ATOM 1240 CG LYS A 82 -2.065 -7.127 12.321 1.00 0.00 C ATOM 1241 CD LYS A 82 -0.666 -7.069 12.915 1.00 0.00 C ATOM 1242 CE LYS A 82 -0.572 -7.866 14.206 1.00 0.00 C ATOM 1243 NZ LYS A 82 -1.338 -7.226 15.311 1.00 0.00 N ATOM 0 H LYS A 82 -0.780 -9.524 9.661 1.00 0.00 H new ATOM 0 HA LYS A 82 -1.594 -9.654 12.287 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -1.252 -7.698 10.426 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -3.003 -7.728 10.494 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -2.408 -6.117 12.097 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -2.756 -7.543 13.054 1.00 0.00 H new ATOM 0 HD2 LYS A 82 0.052 -7.458 12.194 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -0.395 -6.031 13.107 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -0.951 -8.874 14.038 1.00 0.00 H new ATOM 0 HE3 LYS A 82 0.474 -7.963 14.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -1.039 -7.632 16.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -1.156 -6.202 15.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -2.355 -7.397 15.173 1.00 0.00 H new ATOM 1257 N HIS A 83 -4.120 -10.102 10.193 1.00 0.00 N ATOM 1258 CA HIS A 83 -5.483 -10.618 10.083 1.00 0.00 C ATOM 1259 C HIS A 83 -6.052 -10.353 8.692 1.00 0.00 C ATOM 1260 O HIS A 83 -6.795 -9.393 8.488 1.00 0.00 O ATOM 1261 CB HIS A 83 -6.391 -9.986 11.143 1.00 0.00 C ATOM 1262 CG HIS A 83 -6.174 -8.516 11.320 1.00 0.00 C ATOM 1263 ND1 HIS A 83 -6.051 -7.639 10.262 1.00 0.00 N ATOM 1264 CD2 HIS A 83 -6.060 -7.766 12.442 1.00 0.00 C ATOM 1265 CE1 HIS A 83 -5.870 -6.415 10.726 1.00 0.00 C ATOM 1266 NE2 HIS A 83 -5.872 -6.465 12.045 1.00 0.00 N ATOM 0 H HIS A 83 -3.710 -9.809 9.306 1.00 0.00 H new ATOM 0 HA HIS A 83 -5.445 -11.695 10.249 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -7.431 -10.161 10.869 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -6.225 -10.487 12.097 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -6.093 -7.895 9.276 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -6.108 -8.125 13.460 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -5.742 -5.525 10.128 1.00 0.00 H new ATOM 1275 N ASN A 84 -5.697 -11.209 7.738 1.00 0.00 N ATOM 1276 CA ASN A 84 -6.172 -11.063 6.367 1.00 0.00 C ATOM 1277 C ASN A 84 -6.081 -12.386 5.613 1.00 0.00 C ATOM 1278 O ASN A 84 -5.288 -13.260 5.964 1.00 0.00 O ATOM 1279 CB ASN A 84 -5.362 -9.989 5.638 1.00 0.00 C ATOM 1280 CG ASN A 84 -5.848 -9.759 4.220 1.00 0.00 C ATOM 1281 OD1 ASN A 84 -7.030 -9.932 3.920 1.00 0.00 O ATOM 1282 ND2 ASN A 84 -4.936 -9.367 3.338 1.00 0.00 N ATOM 0 H ASN A 84 -5.083 -12.009 7.889 1.00 0.00 H new ATOM 0 HA ASN A 84 -7.218 -10.759 6.402 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -5.420 -9.054 6.195 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -4.312 -10.282 5.616 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -5.204 -9.197 2.369 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -3.967 -9.236 3.630 1.00 0.00 H new ATOM 1289 N LEU A 85 -6.896 -12.523 4.572 1.00 0.00 N ATOM 1290 CA LEU A 85 -6.908 -13.736 3.762 1.00 0.00 C ATOM 1291 C LEU A 85 -5.807 -13.688 2.704 1.00 0.00 C ATOM 1292 O LEU A 85 -6.076 -13.765 1.505 1.00 0.00 O ATOM 1293 CB LEU A 85 -8.279 -13.911 3.099 1.00 0.00 C ATOM 1294 CG LEU A 85 -8.906 -15.299 3.262 1.00 0.00 C ATOM 1295 CD1 LEU A 85 -10.389 -15.182 3.582 1.00 0.00 C ATOM 1296 CD2 LEU A 85 -8.694 -16.130 2.006 1.00 0.00 C ATOM 0 H LEU A 85 -7.557 -11.808 4.269 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.719 -14.590 4.412 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.963 -13.170 3.512 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.181 -13.696 2.035 1.00 0.00 H new ATOM 0 HG LEU A 85 -8.415 -15.803 4.095 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -10.817 -16.178 3.694 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -10.518 -14.625 4.510 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -10.896 -14.659 2.771 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.146 -17.113 2.139 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -9.158 -15.630 1.156 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -7.626 -16.244 1.821 1.00 0.00 H new ATOM 1308 N ASN A 86 -4.565 -13.555 3.158 1.00 0.00 N ATOM 1309 CA ASN A 86 -3.422 -13.488 2.255 1.00 0.00 C ATOM 1310 C ASN A 86 -3.575 -12.322 1.277 1.00 0.00 C ATOM 1311 O ASN A 86 -3.185 -11.195 1.581 1.00 0.00 O ATOM 1312 CB ASN A 86 -3.262 -14.810 1.498 1.00 0.00 C ATOM 1313 CG ASN A 86 -2.288 -15.752 2.177 1.00 0.00 C ATOM 1314 OD1 ASN A 86 -2.679 -16.788 2.713 1.00 0.00 O ATOM 1315 ND2 ASN A 86 -1.009 -15.394 2.157 1.00 0.00 N ATOM 0 H ASN A 86 -4.324 -13.491 4.147 1.00 0.00 H new ATOM 0 HA ASN A 86 -2.523 -13.319 2.848 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -4.234 -15.296 1.413 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -2.918 -14.605 0.484 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -0.306 -15.988 2.598 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -0.730 -14.526 1.701 1.00 0.00 H new ATOM 1322 N ASN A 87 -4.155 -12.589 0.108 1.00 0.00 N ATOM 1323 CA ASN A 87 -4.369 -11.554 -0.902 1.00 0.00 C ATOM 1324 C ASN A 87 -3.063 -11.164 -1.604 1.00 0.00 C ATOM 1325 O ASN A 87 -3.021 -11.061 -2.832 1.00 0.00 O ATOM 1326 CB ASN A 87 -5.044 -10.321 -0.271 1.00 0.00 C ATOM 1327 CG ASN A 87 -4.225 -9.047 -0.397 1.00 0.00 C ATOM 1328 OD1 ASN A 87 -3.224 -8.867 0.296 1.00 0.00 O ATOM 1329 ND2 ASN A 87 -4.650 -8.156 -1.286 1.00 0.00 N ATOM 0 H ASN A 87 -4.486 -13.515 -0.163 1.00 0.00 H new ATOM 0 HA ASN A 87 -5.033 -11.965 -1.663 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -6.014 -10.167 -0.743 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -5.231 -10.520 0.784 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -4.141 -7.282 -1.415 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -5.485 -8.346 -1.840 1.00 0.00 H new ATOM 1336 N TYR A 88 -2.003 -10.922 -0.835 1.00 0.00 N ATOM 1337 CA TYR A 88 -0.742 -10.530 -1.419 1.00 0.00 C ATOM 1338 C TYR A 88 0.100 -11.738 -1.803 1.00 0.00 C ATOM 1339 O TYR A 88 0.085 -12.765 -1.125 1.00 0.00 O ATOM 1340 CB TYR A 88 0.042 -9.657 -0.436 1.00 0.00 C ATOM 1341 CG TYR A 88 0.783 -10.463 0.615 1.00 0.00 C ATOM 1342 CD1 TYR A 88 0.101 -11.072 1.661 1.00 0.00 C ATOM 1343 CD2 TYR A 88 2.160 -10.628 0.550 1.00 0.00 C ATOM 1344 CE1 TYR A 88 0.772 -11.818 2.613 1.00 0.00 C ATOM 1345 CE2 TYR A 88 2.836 -11.374 1.498 1.00 0.00 C ATOM 1346 CZ TYR A 88 2.138 -11.965 2.526 1.00 0.00 C ATOM 1347 OH TYR A 88 2.808 -12.707 3.472 1.00 0.00 O ATOM 0 H TYR A 88 -2.001 -10.992 0.183 1.00 0.00 H new ATOM 0 HA TYR A 88 -0.961 -9.965 -2.325 1.00 0.00 H new ATOM 0 HB2 TYR A 88 0.757 -9.049 -0.990 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -0.645 -8.970 0.059 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -0.971 -10.961 1.732 1.00 0.00 H new ATOM 0 HD2 TYR A 88 2.713 -10.166 -0.255 1.00 0.00 H new ATOM 0 HE1 TYR A 88 0.227 -12.283 3.421 1.00 0.00 H new ATOM 0 HE2 TYR A 88 3.907 -11.492 1.432 1.00 0.00 H new ATOM 0 HH TYR A 88 3.766 -12.713 3.265 1.00 0.00 H new ATOM 1357 N ASP A 89 0.854 -11.592 -2.881 1.00 0.00 N ATOM 1358 CA ASP A 89 1.724 -12.624 -3.356 1.00 0.00 C ATOM 1359 C ASP A 89 3.099 -11.978 -3.551 1.00 0.00 C ATOM 1360 O ASP A 89 3.185 -10.758 -3.744 1.00 0.00 O ATOM 1361 CB ASP A 89 1.116 -13.183 -4.651 1.00 0.00 C ATOM 1362 CG ASP A 89 2.135 -13.761 -5.615 1.00 0.00 C ATOM 1363 OD1 ASP A 89 3.181 -14.258 -5.150 1.00 0.00 O ATOM 1364 OD2 ASP A 89 1.879 -13.728 -6.836 1.00 0.00 O ATOM 0 H ASP A 89 0.870 -10.743 -3.446 1.00 0.00 H new ATOM 0 HA ASP A 89 1.838 -13.462 -2.669 1.00 0.00 H new ATOM 0 HB2 ASP A 89 0.393 -13.958 -4.395 1.00 0.00 H new ATOM 0 HB3 ASP A 89 0.566 -12.388 -5.154 1.00 0.00 H new ATOM 1369 N LEU A 90 4.174 -12.734 -3.477 1.00 0.00 N ATOM 1370 CA LEU A 90 5.481 -12.103 -3.633 1.00 0.00 C ATOM 1371 C LEU A 90 6.596 -13.048 -4.058 1.00 0.00 C ATOM 1372 O LEU A 90 6.663 -14.204 -3.640 1.00 0.00 O ATOM 1373 CB LEU A 90 5.932 -11.401 -2.340 1.00 0.00 C ATOM 1374 CG LEU A 90 4.903 -11.244 -1.232 1.00 0.00 C ATOM 1375 CD1 LEU A 90 4.414 -12.601 -0.741 1.00 0.00 C ATOM 1376 CD2 LEU A 90 5.504 -10.455 -0.084 1.00 0.00 C ATOM 0 H LEU A 90 4.181 -13.741 -3.317 1.00 0.00 H new ATOM 0 HA LEU A 90 5.324 -11.384 -4.437 1.00 0.00 H new ATOM 0 HB2 LEU A 90 6.780 -11.953 -1.936 1.00 0.00 H new ATOM 0 HB3 LEU A 90 6.295 -10.408 -2.605 1.00 0.00 H new ATOM 0 HG LEU A 90 4.045 -10.703 -1.631 1.00 0.00 H new ATOM 0 HD11 LEU A 90 3.679 -12.458 0.051 1.00 0.00 H new ATOM 0 HD12 LEU A 90 3.956 -13.143 -1.568 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.257 -13.174 -0.355 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.764 -10.344 0.708 1.00 0.00 H new ATOM 0 HD22 LEU A 90 6.375 -10.983 0.304 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.806 -9.470 -0.439 1.00 0.00 H new ATOM 1388 N ARG A 91 7.524 -12.478 -4.819 1.00 0.00 N ATOM 1389 CA ARG A 91 8.732 -13.164 -5.248 1.00 0.00 C ATOM 1390 C ARG A 91 9.853 -12.535 -4.440 1.00 0.00 C ATOM 1391 O ARG A 91 9.626 -11.494 -3.819 1.00 0.00 O ATOM 1392 CB ARG A 91 8.969 -12.997 -6.751 1.00 0.00 C ATOM 1393 CG ARG A 91 9.721 -14.162 -7.379 1.00 0.00 C ATOM 1394 CD ARG A 91 9.125 -14.561 -8.721 1.00 0.00 C ATOM 1395 NE ARG A 91 8.741 -15.971 -8.753 1.00 0.00 N ATOM 1396 CZ ARG A 91 8.354 -16.610 -9.855 1.00 0.00 C ATOM 1397 NH1 ARG A 91 8.296 -15.969 -11.016 1.00 0.00 N ATOM 1398 NH2 ARG A 91 8.024 -17.893 -9.796 1.00 0.00 N ATOM 0 H ARG A 91 7.456 -11.518 -5.157 1.00 0.00 H new ATOM 0 HA ARG A 91 8.665 -14.239 -5.081 1.00 0.00 H new ATOM 0 HB2 ARG A 91 8.008 -12.883 -7.252 1.00 0.00 H new ATOM 0 HB3 ARG A 91 9.529 -12.078 -6.923 1.00 0.00 H new ATOM 0 HG2 ARG A 91 10.768 -13.889 -7.513 1.00 0.00 H new ATOM 0 HG3 ARG A 91 9.698 -15.016 -6.703 1.00 0.00 H new ATOM 0 HD2 ARG A 91 8.251 -13.943 -8.928 1.00 0.00 H new ATOM 0 HD3 ARG A 91 9.849 -14.365 -9.512 1.00 0.00 H new ATOM 0 HE ARG A 91 8.771 -16.496 -7.879 1.00 0.00 H new ATOM 0 HH11 ARG A 91 8.549 -14.982 -11.067 1.00 0.00 H new ATOM 0 HH12 ARG A 91 7.999 -16.463 -11.857 1.00 0.00 H new ATOM 0 HH21 ARG A 91 8.067 -18.390 -8.906 1.00 0.00 H new ATOM 0 HH22 ARG A 91 7.727 -18.383 -10.640 1.00 0.00 H new ATOM 1412 N SER A 92 11.037 -13.128 -4.376 1.00 0.00 N ATOM 1413 CA SER A 92 12.062 -12.510 -3.546 1.00 0.00 C ATOM 1414 C SER A 92 13.469 -12.506 -4.116 1.00 0.00 C ATOM 1415 O SER A 92 13.818 -13.223 -5.053 1.00 0.00 O ATOM 1416 CB SER A 92 12.091 -13.148 -2.163 1.00 0.00 C ATOM 1417 OG SER A 92 12.333 -14.542 -2.243 1.00 0.00 O ATOM 0 H SER A 92 11.304 -13.987 -4.858 1.00 0.00 H new ATOM 0 HA SER A 92 11.761 -11.464 -3.499 1.00 0.00 H new ATOM 0 HB2 SER A 92 12.866 -12.676 -1.559 1.00 0.00 H new ATOM 0 HB3 SER A 92 11.141 -12.970 -1.658 1.00 0.00 H new ATOM 0 HG SER A 92 12.348 -14.924 -1.341 1.00 0.00 H new ATOM 1423 N VAL A 93 14.254 -11.666 -3.461 1.00 0.00 N ATOM 1424 CA VAL A 93 15.664 -11.439 -3.727 1.00 0.00 C ATOM 1425 C VAL A 93 16.386 -11.400 -2.379 1.00 0.00 C ATOM 1426 O VAL A 93 17.458 -10.807 -2.217 1.00 0.00 O ATOM 1427 CB VAL A 93 15.884 -10.092 -4.390 1.00 0.00 C ATOM 1428 CG1 VAL A 93 17.013 -10.159 -5.404 1.00 0.00 C ATOM 1429 CG2 VAL A 93 14.606 -9.576 -5.042 1.00 0.00 C ATOM 0 H VAL A 93 13.906 -11.095 -2.690 1.00 0.00 H new ATOM 0 HA VAL A 93 16.033 -12.229 -4.382 1.00 0.00 H new ATOM 0 HB VAL A 93 16.169 -9.388 -3.609 1.00 0.00 H new ATOM 0 HG11 VAL A 93 17.148 -9.180 -5.863 1.00 0.00 H new ATOM 0 HG12 VAL A 93 17.935 -10.455 -4.903 1.00 0.00 H new ATOM 0 HG13 VAL A 93 16.767 -10.890 -6.174 1.00 0.00 H new ATOM 0 HG21 VAL A 93 14.800 -8.609 -5.507 1.00 0.00 H new ATOM 0 HG22 VAL A 93 14.273 -10.284 -5.801 1.00 0.00 H new ATOM 0 HG23 VAL A 93 13.830 -9.465 -4.284 1.00 0.00 H new ATOM 1439 N GLY A 94 15.717 -11.996 -1.416 1.00 0.00 N ATOM 1440 CA GLY A 94 16.180 -12.071 -0.053 1.00 0.00 C ATOM 1441 C GLY A 94 16.393 -10.751 0.645 1.00 0.00 C ATOM 1442 O GLY A 94 15.882 -9.712 0.231 1.00 0.00 O ATOM 0 H GLY A 94 14.816 -12.451 -1.565 1.00 0.00 H new ATOM 0 HA2 GLY A 94 15.460 -12.652 0.523 1.00 0.00 H new ATOM 0 HA3 GLY A 94 17.120 -12.623 -0.039 1.00 0.00 H new ATOM 1446 N ASN A 95 17.147 -10.827 1.737 1.00 0.00 N ATOM 1447 CA ASN A 95 17.458 -9.671 2.569 1.00 0.00 C ATOM 1448 C ASN A 95 17.807 -8.487 1.700 1.00 0.00 C ATOM 1449 O ASN A 95 17.419 -7.353 1.982 1.00 0.00 O ATOM 1450 CB ASN A 95 18.617 -9.989 3.517 1.00 0.00 C ATOM 1451 CG ASN A 95 18.261 -11.065 4.524 1.00 0.00 C ATOM 1452 OD1 ASN A 95 18.244 -12.252 4.201 1.00 0.00 O ATOM 1453 ND2 ASN A 95 17.973 -10.652 5.753 1.00 0.00 N ATOM 0 H ASN A 95 17.561 -11.697 2.071 1.00 0.00 H new ATOM 0 HA ASN A 95 16.580 -9.426 3.166 1.00 0.00 H new ATOM 0 HB2 ASN A 95 19.481 -10.311 2.935 1.00 0.00 H new ATOM 0 HB3 ASN A 95 18.909 -9.082 4.046 1.00 0.00 H new ATOM 0 HD21 ASN A 95 17.725 -11.330 6.474 1.00 0.00 H new ATOM 0 HD22 ASN A 95 18.000 -9.657 5.976 1.00 0.00 H new ATOM 1460 N GLY A 96 18.519 -8.766 0.620 1.00 0.00 N ATOM 1461 CA GLY A 96 18.877 -7.719 -0.294 1.00 0.00 C ATOM 1462 C GLY A 96 17.641 -7.098 -0.896 1.00 0.00 C ATOM 1463 O GLY A 96 17.510 -5.875 -0.932 1.00 0.00 O ATOM 0 H GLY A 96 18.851 -9.696 0.366 1.00 0.00 H new ATOM 0 HA2 GLY A 96 19.458 -6.957 0.226 1.00 0.00 H new ATOM 0 HA3 GLY A 96 19.512 -8.119 -1.084 1.00 0.00 H new ATOM 1467 N ASN A 97 16.719 -7.941 -1.367 1.00 0.00 N ATOM 1468 CA ASN A 97 15.498 -7.445 -1.953 1.00 0.00 C ATOM 1469 C ASN A 97 14.464 -8.534 -2.105 1.00 0.00 C ATOM 1470 O ASN A 97 14.747 -9.706 -1.948 1.00 0.00 O ATOM 1471 CB ASN A 97 15.744 -6.768 -3.300 1.00 0.00 C ATOM 1472 CG ASN A 97 16.997 -7.247 -4.022 1.00 0.00 C ATOM 1473 OD1 ASN A 97 17.807 -7.995 -3.475 1.00 0.00 O ATOM 1474 ND2 ASN A 97 17.161 -6.810 -5.265 1.00 0.00 N ATOM 0 H ASN A 97 16.804 -8.957 -1.349 1.00 0.00 H new ATOM 0 HA ASN A 97 15.111 -6.698 -1.261 1.00 0.00 H new ATOM 0 HB2 ASN A 97 14.880 -6.939 -3.943 1.00 0.00 H new ATOM 0 HB3 ASN A 97 15.817 -5.692 -3.145 1.00 0.00 H new ATOM 0 HD21 ASN A 97 17.981 -7.093 -5.801 1.00 0.00 H new ATOM 0 HD22 ASN A 97 16.467 -6.191 -5.684 1.00 0.00 H new ATOM 1481 N SER A 98 13.260 -8.115 -2.408 1.00 0.00 N ATOM 1482 CA SER A 98 12.155 -9.011 -2.611 1.00 0.00 C ATOM 1483 C SER A 98 11.211 -8.366 -3.612 1.00 0.00 C ATOM 1484 O SER A 98 11.091 -7.144 -3.657 1.00 0.00 O ATOM 1485 CB SER A 98 11.473 -9.323 -1.288 1.00 0.00 C ATOM 1486 OG SER A 98 12.433 -9.503 -0.262 1.00 0.00 O ATOM 0 H SER A 98 13.020 -7.130 -2.521 1.00 0.00 H new ATOM 0 HA SER A 98 12.496 -9.966 -3.010 1.00 0.00 H new ATOM 0 HB2 SER A 98 10.796 -8.511 -1.022 1.00 0.00 H new ATOM 0 HB3 SER A 98 10.867 -10.224 -1.389 1.00 0.00 H new ATOM 0 HG SER A 98 12.703 -8.629 0.090 1.00 0.00 H new ATOM 1492 N VAL A 99 10.587 -9.169 -4.450 1.00 0.00 N ATOM 1493 CA VAL A 99 9.715 -8.637 -5.483 1.00 0.00 C ATOM 1494 C VAL A 99 8.244 -8.810 -5.122 1.00 0.00 C ATOM 1495 O VAL A 99 7.883 -9.697 -4.346 1.00 0.00 O ATOM 1496 CB VAL A 99 10.033 -9.315 -6.823 1.00 0.00 C ATOM 1497 CG1 VAL A 99 9.026 -8.940 -7.893 1.00 0.00 C ATOM 1498 CG2 VAL A 99 11.445 -8.963 -7.268 1.00 0.00 C ATOM 0 H VAL A 99 10.665 -10.186 -4.438 1.00 0.00 H new ATOM 0 HA VAL A 99 9.898 -7.566 -5.570 1.00 0.00 H new ATOM 0 HB VAL A 99 9.967 -10.393 -6.676 1.00 0.00 H new ATOM 0 HG11 VAL A 99 9.284 -9.439 -8.827 1.00 0.00 H new ATOM 0 HG12 VAL A 99 8.029 -9.250 -7.579 1.00 0.00 H new ATOM 0 HG13 VAL A 99 9.039 -7.860 -8.043 1.00 0.00 H new ATOM 0 HG21 VAL A 99 11.659 -9.450 -8.220 1.00 0.00 H new ATOM 0 HG22 VAL A 99 11.531 -7.883 -7.386 1.00 0.00 H new ATOM 0 HG23 VAL A 99 12.159 -9.304 -6.518 1.00 0.00 H new ATOM 1508 N LEU A 100 7.406 -7.918 -5.650 1.00 0.00 N ATOM 1509 CA LEU A 100 5.983 -7.934 -5.337 1.00 0.00 C ATOM 1510 C LEU A 100 5.083 -8.384 -6.474 1.00 0.00 C ATOM 1511 O LEU A 100 5.109 -7.839 -7.578 1.00 0.00 O ATOM 1512 CB LEU A 100 5.521 -6.553 -4.913 1.00 0.00 C ATOM 1513 CG LEU A 100 4.424 -6.503 -3.836 1.00 0.00 C ATOM 1514 CD1 LEU A 100 3.516 -7.726 -3.879 1.00 0.00 C ATOM 1515 CD2 LEU A 100 5.051 -6.358 -2.467 1.00 0.00 C ATOM 0 H LEU A 100 7.689 -7.179 -6.294 1.00 0.00 H new ATOM 0 HA LEU A 100 5.890 -8.667 -4.535 1.00 0.00 H new ATOM 0 HB2 LEU A 100 6.386 -6.000 -4.546 1.00 0.00 H new ATOM 0 HB3 LEU A 100 5.158 -6.027 -5.796 1.00 0.00 H new ATOM 0 HG LEU A 100 3.799 -5.634 -4.043 1.00 0.00 H new ATOM 0 HD11 LEU A 100 2.758 -7.644 -3.100 1.00 0.00 H new ATOM 0 HD12 LEU A 100 3.030 -7.784 -4.853 1.00 0.00 H new ATOM 0 HD13 LEU A 100 4.109 -8.626 -3.715 1.00 0.00 H new ATOM 0 HD21 LEU A 100 4.268 -6.323 -1.710 1.00 0.00 H new ATOM 0 HD22 LEU A 100 5.705 -7.209 -2.274 1.00 0.00 H new ATOM 0 HD23 LEU A 100 5.633 -5.437 -2.429 1.00 0.00 H new ATOM 1527 N VAL A 101 4.212 -9.312 -6.131 1.00 0.00 N ATOM 1528 CA VAL A 101 3.182 -9.800 -7.018 1.00 0.00 C ATOM 1529 C VAL A 101 1.989 -10.054 -6.115 1.00 0.00 C ATOM 1530 O VAL A 101 1.978 -10.985 -5.332 1.00 0.00 O ATOM 1531 CB VAL A 101 3.607 -11.077 -7.778 1.00 0.00 C ATOM 1532 CG1 VAL A 101 4.251 -12.083 -6.838 1.00 0.00 C ATOM 1533 CG2 VAL A 101 2.423 -11.692 -8.513 1.00 0.00 C ATOM 0 H VAL A 101 4.202 -9.754 -5.212 1.00 0.00 H new ATOM 0 HA VAL A 101 2.960 -9.080 -7.806 1.00 0.00 H new ATOM 0 HB VAL A 101 4.352 -10.793 -8.522 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.540 -12.972 -7.399 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.135 -11.639 -6.380 1.00 0.00 H new ATOM 0 HG13 VAL A 101 3.540 -12.361 -6.060 1.00 0.00 H new ATOM 0 HG21 VAL A 101 2.748 -12.589 -9.040 1.00 0.00 H new ATOM 0 HG22 VAL A 101 1.646 -11.954 -7.795 1.00 0.00 H new ATOM 0 HG23 VAL A 101 2.027 -10.973 -9.230 1.00 0.00 H new ATOM 1543 N SER A 102 1.021 -9.173 -6.135 1.00 0.00 N ATOM 1544 CA SER A 102 -0.080 -9.318 -5.209 1.00 0.00 C ATOM 1545 C SER A 102 -1.390 -8.852 -5.772 1.00 0.00 C ATOM 1546 O SER A 102 -1.444 -8.104 -6.748 1.00 0.00 O ATOM 1547 CB SER A 102 0.232 -8.508 -3.941 1.00 0.00 C ATOM 1548 OG SER A 102 -0.889 -7.747 -3.514 1.00 0.00 O ATOM 0 H SER A 102 0.968 -8.369 -6.761 1.00 0.00 H new ATOM 0 HA SER A 102 -0.183 -10.381 -4.993 1.00 0.00 H new ATOM 0 HB2 SER A 102 0.538 -9.185 -3.143 1.00 0.00 H new ATOM 0 HB3 SER A 102 1.073 -7.841 -4.133 1.00 0.00 H new ATOM 0 HG SER A 102 -0.655 -7.246 -2.705 1.00 0.00 H new ATOM 1554 N LEU A 103 -2.441 -9.270 -5.081 1.00 0.00 N ATOM 1555 CA LEU A 103 -3.793 -8.888 -5.398 1.00 0.00 C ATOM 1556 C LEU A 103 -4.788 -9.900 -4.877 1.00 0.00 C ATOM 1557 O LEU A 103 -5.258 -9.788 -3.745 1.00 0.00 O ATOM 1558 CB LEU A 103 -4.004 -8.607 -6.895 1.00 0.00 C ATOM 1559 CG LEU A 103 -4.062 -7.115 -7.284 1.00 0.00 C ATOM 1560 CD1 LEU A 103 -5.498 -6.683 -7.537 1.00 0.00 C ATOM 1561 CD2 LEU A 103 -3.437 -6.221 -6.211 1.00 0.00 C ATOM 0 H LEU A 103 -2.368 -9.892 -4.276 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.973 -7.944 -4.884 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -3.197 -9.080 -7.454 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -4.932 -9.084 -7.210 1.00 0.00 H new ATOM 0 HG LEU A 103 -3.482 -7.000 -8.200 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -5.518 -5.628 -7.810 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.919 -7.276 -8.349 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -6.088 -6.835 -6.633 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -3.499 -5.179 -6.525 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -3.975 -6.350 -5.272 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -2.392 -6.497 -6.071 1.00 0.00 H new ATOM 1573 N ARG A 104 -5.122 -10.877 -5.694 1.00 0.00 N ATOM 1574 CA ARG A 104 -6.083 -11.889 -5.281 1.00 0.00 C ATOM 1575 C ARG A 104 -7.423 -11.218 -4.951 1.00 0.00 C ATOM 1576 O ARG A 104 -8.268 -11.788 -4.261 1.00 0.00 O ATOM 1577 CB ARG A 104 -5.533 -12.627 -4.055 1.00 0.00 C ATOM 1578 CG ARG A 104 -4.987 -14.011 -4.360 1.00 0.00 C ATOM 1579 CD ARG A 104 -3.714 -13.940 -5.190 1.00 0.00 C ATOM 1580 NE ARG A 104 -2.531 -14.302 -4.410 1.00 0.00 N ATOM 1581 CZ ARG A 104 -2.327 -15.510 -3.889 1.00 0.00 C ATOM 1582 NH1 ARG A 104 -3.218 -16.477 -4.068 1.00 0.00 N ATOM 1583 NH2 ARG A 104 -1.227 -15.752 -3.188 1.00 0.00 N ATOM 0 H ARG A 104 -4.750 -10.995 -6.637 1.00 0.00 H new ATOM 0 HA ARG A 104 -6.244 -12.606 -6.086 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -4.742 -12.026 -3.607 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -6.325 -12.716 -3.312 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -4.785 -14.537 -3.427 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -5.739 -14.590 -4.896 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -3.802 -14.608 -6.047 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -3.594 -12.931 -5.584 1.00 0.00 H new ATOM 0 HE ARG A 104 -1.820 -13.587 -4.256 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -4.065 -16.297 -4.607 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -3.056 -17.400 -3.666 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -0.538 -15.013 -3.048 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -1.070 -16.677 -2.789 1.00 0.00 H new ATOM 1597 N SER A 105 -7.577 -9.983 -5.448 1.00 0.00 N ATOM 1598 CA SER A 105 -8.763 -9.153 -5.234 1.00 0.00 C ATOM 1599 C SER A 105 -8.347 -7.694 -5.333 1.00 0.00 C ATOM 1600 O SER A 105 -7.152 -7.403 -5.380 1.00 0.00 O ATOM 1601 CB SER A 105 -9.385 -9.400 -3.861 1.00 0.00 C ATOM 1602 OG SER A 105 -8.398 -9.751 -2.906 1.00 0.00 O ATOM 0 H SER A 105 -6.866 -9.528 -6.020 1.00 0.00 H new ATOM 0 HA SER A 105 -9.507 -9.407 -5.989 1.00 0.00 H new ATOM 0 HB2 SER A 105 -9.912 -8.504 -3.531 1.00 0.00 H new ATOM 0 HB3 SER A 105 -10.125 -10.197 -3.932 1.00 0.00 H new ATOM 0 HG SER A 105 -8.369 -10.726 -2.809 1.00 0.00 H new ATOM 1608 N ASP A 106 -9.302 -6.768 -5.352 1.00 0.00 N ATOM 1609 CA ASP A 106 -8.929 -5.363 -5.430 1.00 0.00 C ATOM 1610 C ASP A 106 -9.236 -4.631 -4.127 1.00 0.00 C ATOM 1611 O ASP A 106 -10.365 -4.213 -3.874 1.00 0.00 O ATOM 1612 CB ASP A 106 -9.662 -4.689 -6.592 1.00 0.00 C ATOM 1613 CG ASP A 106 -8.738 -4.382 -7.755 1.00 0.00 C ATOM 1614 OD1 ASP A 106 -7.666 -3.787 -7.521 1.00 0.00 O ATOM 1615 OD2 ASP A 106 -9.088 -4.738 -8.901 1.00 0.00 O ATOM 0 H ASP A 106 -10.304 -6.956 -5.316 1.00 0.00 H new ATOM 0 HA ASP A 106 -7.854 -5.311 -5.600 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -10.470 -5.336 -6.934 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -10.121 -3.765 -6.242 1.00 0.00 H new ATOM 1620 N GLN A 107 -8.190 -4.452 -3.331 1.00 0.00 N ATOM 1621 CA GLN A 107 -8.267 -3.733 -2.066 1.00 0.00 C ATOM 1622 C GLN A 107 -6.856 -3.482 -1.546 1.00 0.00 C ATOM 1623 O GLN A 107 -5.906 -4.118 -2.003 1.00 0.00 O ATOM 1624 CB GLN A 107 -9.096 -4.502 -1.039 1.00 0.00 C ATOM 1625 CG GLN A 107 -10.483 -3.911 -0.805 1.00 0.00 C ATOM 1626 CD GLN A 107 -11.171 -4.481 0.422 1.00 0.00 C ATOM 1627 OE1 GLN A 107 -10.859 -5.726 0.753 1.00 0.00 O flip ATOM 1628 NE2 GLN A 107 -11.967 -3.803 1.071 1.00 0.00 N flip ATOM 0 H GLN A 107 -7.257 -4.804 -3.547 1.00 0.00 H new ATOM 0 HA GLN A 107 -8.767 -2.779 -2.233 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -9.202 -5.535 -1.370 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -8.556 -4.525 -0.093 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -10.398 -2.830 -0.698 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -11.104 -4.096 -1.682 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -12.179 -2.848 0.781 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -12.415 -4.196 1.899 1.00 0.00 H new ATOM 1637 N MET A 108 -6.711 -2.589 -0.580 1.00 0.00 N ATOM 1638 CA MET A 108 -5.398 -2.316 -0.012 1.00 0.00 C ATOM 1639 C MET A 108 -5.508 -1.645 1.350 1.00 0.00 C ATOM 1640 O MET A 108 -6.413 -0.847 1.595 1.00 0.00 O ATOM 1641 CB MET A 108 -4.552 -1.454 -0.954 1.00 0.00 C ATOM 1642 CG MET A 108 -3.064 -1.745 -0.859 1.00 0.00 C ATOM 1643 SD MET A 108 -2.609 -3.292 -1.670 1.00 0.00 S ATOM 1644 CE MET A 108 -2.787 -4.454 -0.318 1.00 0.00 C ATOM 0 H MET A 108 -7.475 -2.046 -0.176 1.00 0.00 H new ATOM 0 HA MET A 108 -4.901 -3.278 0.118 1.00 0.00 H new ATOM 0 HB2 MET A 108 -4.882 -1.617 -1.980 1.00 0.00 H new ATOM 0 HB3 MET A 108 -4.725 -0.402 -0.727 1.00 0.00 H new ATOM 0 HG2 MET A 108 -2.507 -0.924 -1.311 1.00 0.00 H new ATOM 0 HG3 MET A 108 -2.772 -1.789 0.190 1.00 0.00 H new ATOM 0 HE1 MET A 108 -1.868 -5.030 -0.210 1.00 0.00 H new ATOM 0 HE2 MET A 108 -2.985 -3.910 0.606 1.00 0.00 H new ATOM 0 HE3 MET A 108 -3.616 -5.130 -0.526 1.00 0.00 H new ATOM 1654 N THR A 109 -4.568 -1.974 2.228 1.00 0.00 N ATOM 1655 CA THR A 109 -4.536 -1.406 3.567 1.00 0.00 C ATOM 1656 C THR A 109 -3.388 -0.410 3.685 1.00 0.00 C ATOM 1657 O THR A 109 -2.417 -0.484 2.932 1.00 0.00 O ATOM 1658 CB THR A 109 -4.394 -2.512 4.621 1.00 0.00 C ATOM 1659 OG1 THR A 109 -3.987 -1.971 5.862 1.00 0.00 O ATOM 1660 CG2 THR A 109 -3.395 -3.586 4.251 1.00 0.00 C ATOM 0 H THR A 109 -3.815 -2.634 2.034 1.00 0.00 H new ATOM 0 HA THR A 109 -5.476 -0.884 3.745 1.00 0.00 H new ATOM 0 HB THR A 109 -5.383 -2.967 4.683 1.00 0.00 H new ATOM 0 HG1 THR A 109 -4.773 -1.651 6.353 1.00 0.00 H new ATOM 0 HG21 THR A 109 -3.351 -4.331 5.045 1.00 0.00 H new ATOM 0 HG22 THR A 109 -3.703 -4.064 3.321 1.00 0.00 H new ATOM 0 HG23 THR A 109 -2.410 -3.137 4.120 1.00 0.00 H new ATOM 1668 N LEU A 110 -3.505 0.527 4.621 1.00 0.00 N ATOM 1669 CA LEU A 110 -2.474 1.540 4.819 1.00 0.00 C ATOM 1670 C LEU A 110 -1.084 0.912 4.850 1.00 0.00 C ATOM 1671 O LEU A 110 -0.194 1.314 4.098 1.00 0.00 O ATOM 1672 CB LEU A 110 -2.734 2.325 6.106 1.00 0.00 C ATOM 1673 CG LEU A 110 -3.527 3.616 5.912 1.00 0.00 C ATOM 1674 CD1 LEU A 110 -4.466 3.852 7.080 1.00 0.00 C ATOM 1675 CD2 LEU A 110 -2.588 4.797 5.726 1.00 0.00 C ATOM 0 H LEU A 110 -4.302 0.606 5.253 1.00 0.00 H new ATOM 0 HA LEU A 110 -2.514 2.229 3.975 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -3.272 1.685 6.805 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -1.777 2.567 6.568 1.00 0.00 H new ATOM 0 HG LEU A 110 -4.130 3.514 5.010 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -5.020 4.777 6.920 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -5.165 3.019 7.159 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -3.888 3.930 8.001 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -3.171 5.708 5.589 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -1.955 4.901 6.607 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -1.964 4.631 4.848 1.00 0.00 H new ATOM 1687 N GLN A 111 -0.904 -0.084 5.712 1.00 0.00 N ATOM 1688 CA GLN A 111 0.380 -0.769 5.818 1.00 0.00 C ATOM 1689 C GLN A 111 0.821 -1.280 4.446 1.00 0.00 C ATOM 1690 O GLN A 111 1.854 -0.864 3.921 1.00 0.00 O ATOM 1691 CB GLN A 111 0.289 -1.924 6.824 1.00 0.00 C ATOM 1692 CG GLN A 111 1.467 -2.892 6.777 1.00 0.00 C ATOM 1693 CD GLN A 111 2.721 -2.341 7.432 1.00 0.00 C ATOM 1694 OE1 GLN A 111 3.262 -1.258 6.882 1.00 0.00 O flip ATOM 1695 NE2 GLN A 111 3.201 -2.885 8.427 1.00 0.00 N flip ATOM 0 H GLN A 111 -1.625 -0.433 6.343 1.00 0.00 H new ATOM 0 HA GLN A 111 1.126 -0.061 6.178 1.00 0.00 H new ATOM 0 HB2 GLN A 111 0.214 -1.510 7.829 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -0.630 -2.480 6.639 1.00 0.00 H new ATOM 0 HG2 GLN A 111 1.185 -3.821 7.272 1.00 0.00 H new ATOM 0 HG3 GLN A 111 1.686 -3.138 5.738 1.00 0.00 H new ATOM 0 HE21 GLN A 111 2.756 -3.715 8.819 1.00 0.00 H new ATOM 0 HE22 GLN A 111 4.044 -2.506 8.859 1.00 0.00 H new ATOM 1704 N ASP A 112 0.022 -2.175 3.869 1.00 0.00 N ATOM 1705 CA ASP A 112 0.311 -2.744 2.552 1.00 0.00 C ATOM 1706 C ASP A 112 0.702 -1.653 1.561 1.00 0.00 C ATOM 1707 O ASP A 112 1.691 -1.777 0.834 1.00 0.00 O ATOM 1708 CB ASP A 112 -0.906 -3.506 2.026 1.00 0.00 C ATOM 1709 CG ASP A 112 -0.889 -4.969 2.424 1.00 0.00 C ATOM 1710 OD1 ASP A 112 -1.345 -5.285 3.543 1.00 0.00 O ATOM 1711 OD2 ASP A 112 -0.420 -5.798 1.617 1.00 0.00 O ATOM 0 H ASP A 112 -0.836 -2.524 4.295 1.00 0.00 H new ATOM 0 HA ASP A 112 1.149 -3.433 2.659 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -1.815 -3.040 2.406 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -0.938 -3.428 0.939 1.00 0.00 H new ATOM 1716 N ALA A 113 -0.082 -0.581 1.541 1.00 0.00 N ATOM 1717 CA ALA A 113 0.178 0.536 0.645 1.00 0.00 C ATOM 1718 C ALA A 113 1.613 1.034 0.800 1.00 0.00 C ATOM 1719 O ALA A 113 2.373 1.081 -0.169 1.00 0.00 O ATOM 1720 CB ALA A 113 -0.807 1.664 0.911 1.00 0.00 C ATOM 0 H ALA A 113 -0.902 -0.463 2.136 1.00 0.00 H new ATOM 0 HA ALA A 113 0.047 0.191 -0.381 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -0.602 2.493 0.234 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -1.823 1.306 0.748 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -0.703 2.003 1.942 1.00 0.00 H new ATOM 1726 N LYS A 114 1.977 1.402 2.026 1.00 0.00 N ATOM 1727 CA LYS A 114 3.322 1.895 2.307 1.00 0.00 C ATOM 1728 C LYS A 114 4.357 0.793 2.104 1.00 0.00 C ATOM 1729 O LYS A 114 5.501 1.065 1.760 1.00 0.00 O ATOM 1730 CB LYS A 114 3.389 2.480 3.727 1.00 0.00 C ATOM 1731 CG LYS A 114 4.065 1.597 4.775 1.00 0.00 C ATOM 1732 CD LYS A 114 3.290 1.592 6.087 1.00 0.00 C ATOM 1733 CE LYS A 114 3.106 2.992 6.655 1.00 0.00 C ATOM 1734 NZ LYS A 114 2.055 3.746 5.919 1.00 0.00 N ATOM 0 H LYS A 114 1.361 1.368 2.838 1.00 0.00 H new ATOM 0 HA LYS A 114 3.556 2.694 1.604 1.00 0.00 H new ATOM 0 HB2 LYS A 114 3.919 3.432 3.684 1.00 0.00 H new ATOM 0 HB3 LYS A 114 2.374 2.695 4.060 1.00 0.00 H new ATOM 0 HG2 LYS A 114 4.146 0.578 4.396 1.00 0.00 H new ATOM 0 HG3 LYS A 114 5.080 1.953 4.952 1.00 0.00 H new ATOM 0 HD2 LYS A 114 2.313 1.136 5.927 1.00 0.00 H new ATOM 0 HD3 LYS A 114 3.816 0.973 6.814 1.00 0.00 H new ATOM 0 HE2 LYS A 114 2.837 2.925 7.709 1.00 0.00 H new ATOM 0 HE3 LYS A 114 4.050 3.535 6.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 1.715 4.532 6.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 2.453 4.123 5.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 1.262 3.110 5.698 1.00 0.00 H new ATOM 1748 N VAL A 115 3.941 -0.452 2.306 1.00 0.00 N ATOM 1749 CA VAL A 115 4.831 -1.593 2.128 1.00 0.00 C ATOM 1750 C VAL A 115 5.404 -1.610 0.718 1.00 0.00 C ATOM 1751 O VAL A 115 6.618 -1.460 0.498 1.00 0.00 O ATOM 1752 CB VAL A 115 4.083 -2.921 2.351 1.00 0.00 C ATOM 1753 CG1 VAL A 115 4.991 -4.107 2.062 1.00 0.00 C ATOM 1754 CG2 VAL A 115 3.527 -3.001 3.759 1.00 0.00 C ATOM 0 H VAL A 115 2.993 -0.697 2.593 1.00 0.00 H new ATOM 0 HA VAL A 115 5.631 -1.492 2.861 1.00 0.00 H new ATOM 0 HB VAL A 115 3.245 -2.956 1.655 1.00 0.00 H new ATOM 0 HG11 VAL A 115 4.442 -5.034 2.226 1.00 0.00 H new ATOM 0 HG12 VAL A 115 5.328 -4.063 1.026 1.00 0.00 H new ATOM 0 HG13 VAL A 115 5.855 -4.074 2.726 1.00 0.00 H new ATOM 0 HG21 VAL A 115 3.004 -3.948 3.890 1.00 0.00 H new ATOM 0 HG22 VAL A 115 4.344 -2.935 4.477 1.00 0.00 H new ATOM 0 HG23 VAL A 115 2.833 -2.177 3.923 1.00 0.00 H new ATOM 1764 N LEU A 116 4.508 -1.804 -0.234 1.00 0.00 N ATOM 1765 CA LEU A 116 4.880 -1.867 -1.624 1.00 0.00 C ATOM 1766 C LEU A 116 5.459 -0.551 -2.090 1.00 0.00 C ATOM 1767 O LEU A 116 6.425 -0.540 -2.838 1.00 0.00 O ATOM 1768 CB LEU A 116 3.661 -2.229 -2.472 1.00 0.00 C ATOM 1769 CG LEU A 116 3.264 -3.700 -2.452 1.00 0.00 C ATOM 1770 CD1 LEU A 116 2.940 -4.151 -1.037 1.00 0.00 C ATOM 1771 CD2 LEU A 116 2.080 -3.944 -3.376 1.00 0.00 C ATOM 0 H LEU A 116 3.510 -1.921 -0.060 1.00 0.00 H new ATOM 0 HA LEU A 116 5.644 -2.636 -1.740 1.00 0.00 H new ATOM 0 HB2 LEU A 116 2.813 -1.637 -2.130 1.00 0.00 H new ATOM 0 HB3 LEU A 116 3.858 -1.937 -3.504 1.00 0.00 H new ATOM 0 HG LEU A 116 4.109 -4.288 -2.811 1.00 0.00 H new ATOM 0 HD11 LEU A 116 2.659 -5.204 -1.046 1.00 0.00 H new ATOM 0 HD12 LEU A 116 3.815 -4.014 -0.402 1.00 0.00 H new ATOM 0 HD13 LEU A 116 2.113 -3.558 -0.647 1.00 0.00 H new ATOM 0 HD21 LEU A 116 1.809 -5.000 -3.350 1.00 0.00 H new ATOM 0 HD22 LEU A 116 1.232 -3.344 -3.047 1.00 0.00 H new ATOM 0 HD23 LEU A 116 2.349 -3.664 -4.394 1.00 0.00 H new ATOM 1783 N LEU A 117 4.871 0.557 -1.655 1.00 0.00 N ATOM 1784 CA LEU A 117 5.368 1.860 -2.063 1.00 0.00 C ATOM 1785 C LEU A 117 6.666 2.197 -1.365 1.00 0.00 C ATOM 1786 O LEU A 117 7.420 3.055 -1.824 1.00 0.00 O ATOM 1787 CB LEU A 117 4.315 2.944 -1.860 1.00 0.00 C ATOM 1788 CG LEU A 117 3.463 3.155 -3.101 1.00 0.00 C ATOM 1789 CD1 LEU A 117 2.127 2.444 -2.961 1.00 0.00 C ATOM 1790 CD2 LEU A 117 3.259 4.628 -3.383 1.00 0.00 C ATOM 0 H LEU A 117 4.064 0.579 -1.031 1.00 0.00 H new ATOM 0 HA LEU A 117 5.580 1.815 -3.131 1.00 0.00 H new ATOM 0 HB2 LEU A 117 3.673 2.672 -1.022 1.00 0.00 H new ATOM 0 HB3 LEU A 117 4.806 3.880 -1.595 1.00 0.00 H new ATOM 0 HG LEU A 117 3.995 2.724 -3.949 1.00 0.00 H new ATOM 0 HD11 LEU A 117 1.532 2.607 -3.860 1.00 0.00 H new ATOM 0 HD12 LEU A 117 2.296 1.376 -2.827 1.00 0.00 H new ATOM 0 HD13 LEU A 117 1.594 2.839 -2.096 1.00 0.00 H new ATOM 0 HD21 LEU A 117 2.646 4.746 -4.276 1.00 0.00 H new ATOM 0 HD22 LEU A 117 2.758 5.095 -2.535 1.00 0.00 H new ATOM 0 HD23 LEU A 117 4.226 5.106 -3.541 1.00 0.00 H new ATOM 1802 N GLU A 118 6.967 1.470 -0.304 1.00 0.00 N ATOM 1803 CA GLU A 118 8.224 1.659 0.382 1.00 0.00 C ATOM 1804 C GLU A 118 9.276 1.054 -0.509 1.00 0.00 C ATOM 1805 O GLU A 118 10.285 1.682 -0.826 1.00 0.00 O ATOM 1806 CB GLU A 118 8.225 0.986 1.757 1.00 0.00 C ATOM 1807 CG GLU A 118 9.577 1.024 2.452 1.00 0.00 C ATOM 1808 CD GLU A 118 9.463 0.891 3.958 1.00 0.00 C ATOM 1809 OE1 GLU A 118 8.722 -0.001 4.420 1.00 0.00 O ATOM 1810 OE2 GLU A 118 10.114 1.680 4.674 1.00 0.00 O ATOM 0 H GLU A 118 6.363 0.752 0.095 1.00 0.00 H new ATOM 0 HA GLU A 118 8.410 2.717 0.565 1.00 0.00 H new ATOM 0 HB2 GLU A 118 7.486 1.474 2.392 1.00 0.00 H new ATOM 0 HB3 GLU A 118 7.913 -0.052 1.644 1.00 0.00 H new ATOM 0 HG2 GLU A 118 10.202 0.219 2.066 1.00 0.00 H new ATOM 0 HG3 GLU A 118 10.079 1.961 2.211 1.00 0.00 H new ATOM 1817 N ALA A 119 8.986 -0.163 -0.965 1.00 0.00 N ATOM 1818 CA ALA A 119 9.870 -0.853 -1.885 1.00 0.00 C ATOM 1819 C ALA A 119 9.802 -0.197 -3.259 1.00 0.00 C ATOM 1820 O ALA A 119 10.771 -0.210 -4.020 1.00 0.00 O ATOM 1821 CB ALA A 119 9.509 -2.327 -1.976 1.00 0.00 C ATOM 0 H ALA A 119 8.148 -0.685 -0.710 1.00 0.00 H new ATOM 0 HA ALA A 119 10.891 -0.780 -1.510 1.00 0.00 H new ATOM 0 HB1 ALA A 119 10.185 -2.825 -2.671 1.00 0.00 H new ATOM 0 HB2 ALA A 119 9.600 -2.785 -0.991 1.00 0.00 H new ATOM 0 HB3 ALA A 119 8.483 -2.429 -2.331 1.00 0.00 H new ATOM 1827 N ALA A 120 8.645 0.387 -3.561 1.00 0.00 N ATOM 1828 CA ALA A 120 8.433 1.060 -4.830 1.00 0.00 C ATOM 1829 C ALA A 120 9.271 2.306 -4.915 1.00 0.00 C ATOM 1830 O ALA A 120 10.173 2.397 -5.742 1.00 0.00 O ATOM 1831 CB ALA A 120 6.967 1.396 -5.034 1.00 0.00 C ATOM 0 H ALA A 120 7.838 0.405 -2.937 1.00 0.00 H new ATOM 0 HA ALA A 120 8.738 0.378 -5.624 1.00 0.00 H new ATOM 0 HB1 ALA A 120 6.839 1.899 -5.992 1.00 0.00 H new ATOM 0 HB2 ALA A 120 6.379 0.478 -5.024 1.00 0.00 H new ATOM 0 HB3 ALA A 120 6.629 2.052 -4.232 1.00 0.00 H new ATOM 1837 N LEU A 121 8.986 3.270 -4.055 1.00 0.00 N ATOM 1838 CA LEU A 121 9.750 4.493 -4.064 1.00 0.00 C ATOM 1839 C LEU A 121 11.229 4.165 -3.852 1.00 0.00 C ATOM 1840 O LEU A 121 12.106 4.745 -4.485 1.00 0.00 O ATOM 1841 CB LEU A 121 9.229 5.481 -3.016 1.00 0.00 C ATOM 1842 CG LEU A 121 9.863 5.381 -1.632 1.00 0.00 C ATOM 1843 CD1 LEU A 121 10.746 6.589 -1.354 1.00 0.00 C ATOM 1844 CD2 LEU A 121 8.787 5.250 -0.576 1.00 0.00 C ATOM 0 H LEU A 121 8.244 3.226 -3.356 1.00 0.00 H new ATOM 0 HA LEU A 121 9.637 4.981 -5.032 1.00 0.00 H new ATOM 0 HB2 LEU A 121 9.381 6.493 -3.392 1.00 0.00 H new ATOM 0 HB3 LEU A 121 8.153 5.338 -2.913 1.00 0.00 H new ATOM 0 HG LEU A 121 10.492 4.491 -1.601 1.00 0.00 H new ATOM 0 HD11 LEU A 121 11.188 6.496 -0.362 1.00 0.00 H new ATOM 0 HD12 LEU A 121 11.539 6.640 -2.101 1.00 0.00 H new ATOM 0 HD13 LEU A 121 10.145 7.497 -1.400 1.00 0.00 H new ATOM 0 HD21 LEU A 121 9.250 5.179 0.408 1.00 0.00 H new ATOM 0 HD22 LEU A 121 8.136 6.124 -0.609 1.00 0.00 H new ATOM 0 HD23 LEU A 121 8.199 4.352 -0.766 1.00 0.00 H new ATOM 1856 N ARG A 122 11.487 3.200 -2.969 1.00 0.00 N ATOM 1857 CA ARG A 122 12.847 2.761 -2.671 1.00 0.00 C ATOM 1858 C ARG A 122 13.579 2.351 -3.945 1.00 0.00 C ATOM 1859 O ARG A 122 14.741 2.703 -4.147 1.00 0.00 O ATOM 1860 CB ARG A 122 12.801 1.584 -1.685 1.00 0.00 C ATOM 1861 CG ARG A 122 14.023 0.675 -1.713 1.00 0.00 C ATOM 1862 CD ARG A 122 13.835 -0.529 -0.804 1.00 0.00 C ATOM 1863 NE ARG A 122 13.410 -0.141 0.539 1.00 0.00 N ATOM 1864 CZ ARG A 122 14.230 0.360 1.460 1.00 0.00 C ATOM 1865 NH1 ARG A 122 15.517 0.539 1.186 1.00 0.00 N ATOM 1866 NH2 ARG A 122 13.763 0.685 2.658 1.00 0.00 N ATOM 0 H ARG A 122 10.765 2.705 -2.445 1.00 0.00 H new ATOM 0 HA ARG A 122 13.392 3.591 -2.222 1.00 0.00 H new ATOM 0 HB2 ARG A 122 12.683 1.979 -0.676 1.00 0.00 H new ATOM 0 HB3 ARG A 122 11.916 0.985 -1.898 1.00 0.00 H new ATOM 0 HG2 ARG A 122 14.205 0.338 -2.734 1.00 0.00 H new ATOM 0 HG3 ARG A 122 14.904 1.236 -1.400 1.00 0.00 H new ATOM 0 HD2 ARG A 122 13.094 -1.199 -1.239 1.00 0.00 H new ATOM 0 HD3 ARG A 122 14.770 -1.085 -0.742 1.00 0.00 H new ATOM 0 HE ARG A 122 12.427 -0.261 0.785 1.00 0.00 H new ATOM 0 HH11 ARG A 122 15.882 0.292 0.266 1.00 0.00 H new ATOM 0 HH12 ARG A 122 16.141 0.923 1.896 1.00 0.00 H new ATOM 0 HH21 ARG A 122 12.775 0.551 2.874 1.00 0.00 H new ATOM 0 HH22 ARG A 122 14.392 1.069 3.364 1.00 0.00 H new ATOM 1880 N GLN A 123 12.897 1.586 -4.787 1.00 0.00 N ATOM 1881 CA GLN A 123 13.487 1.104 -6.026 1.00 0.00 C ATOM 1882 C GLN A 123 13.339 2.105 -7.172 1.00 0.00 C ATOM 1883 O GLN A 123 14.182 2.153 -8.068 1.00 0.00 O ATOM 1884 CB GLN A 123 12.846 -0.226 -6.425 1.00 0.00 C ATOM 1885 CG GLN A 123 13.792 -1.158 -7.162 1.00 0.00 C ATOM 1886 CD GLN A 123 13.106 -1.921 -8.279 1.00 0.00 C ATOM 1887 OE1 GLN A 123 11.989 -1.591 -8.675 1.00 0.00 O ATOM 1888 NE2 GLN A 123 13.774 -2.948 -8.792 1.00 0.00 N ATOM 0 H GLN A 123 11.934 1.286 -4.633 1.00 0.00 H new ATOM 0 HA GLN A 123 14.553 0.969 -5.842 1.00 0.00 H new ATOM 0 HB2 GLN A 123 12.480 -0.727 -5.529 1.00 0.00 H new ATOM 0 HB3 GLN A 123 11.979 -0.028 -7.056 1.00 0.00 H new ATOM 0 HG2 GLN A 123 14.617 -0.579 -7.576 1.00 0.00 H new ATOM 0 HG3 GLN A 123 14.223 -1.866 -6.454 1.00 0.00 H new ATOM 0 HE21 GLN A 123 14.698 -3.186 -8.432 1.00 0.00 H new ATOM 0 HE22 GLN A 123 13.363 -3.499 -9.546 1.00 0.00 H new ATOM 1897 N GLU A 124 12.255 2.879 -7.169 1.00 0.00 N ATOM 1898 CA GLU A 124 12.016 3.836 -8.249 1.00 0.00 C ATOM 1899 C GLU A 124 12.496 5.247 -7.924 1.00 0.00 C ATOM 1900 O GLU A 124 13.403 5.767 -8.575 1.00 0.00 O ATOM 1901 CB GLU A 124 10.528 3.905 -8.593 1.00 0.00 C ATOM 1902 CG GLU A 124 9.783 2.586 -8.435 1.00 0.00 C ATOM 1903 CD GLU A 124 9.392 1.976 -9.767 1.00 0.00 C ATOM 1904 OE1 GLU A 124 10.168 2.117 -10.735 1.00 0.00 O ATOM 1905 OE2 GLU A 124 8.310 1.357 -9.841 1.00 0.00 O ATOM 0 H GLU A 124 11.538 2.864 -6.443 1.00 0.00 H new ATOM 0 HA GLU A 124 12.594 3.467 -9.097 1.00 0.00 H new ATOM 0 HB2 GLU A 124 10.055 4.654 -7.957 1.00 0.00 H new ATOM 0 HB3 GLU A 124 10.421 4.247 -9.622 1.00 0.00 H new ATOM 0 HG2 GLU A 124 10.409 1.882 -7.887 1.00 0.00 H new ATOM 0 HG3 GLU A 124 8.887 2.748 -7.836 1.00 0.00 H new ATOM 1912 N SER A 125 11.853 5.881 -6.948 1.00 0.00 N ATOM 1913 CA SER A 125 12.192 7.253 -6.587 1.00 0.00 C ATOM 1914 C SER A 125 13.167 7.337 -5.421 1.00 0.00 C ATOM 1915 O SER A 125 14.289 7.808 -5.583 1.00 0.00 O ATOM 1916 CB SER A 125 10.920 8.032 -6.249 1.00 0.00 C ATOM 1917 OG SER A 125 11.222 9.370 -5.891 1.00 0.00 O ATOM 0 H SER A 125 11.100 5.470 -6.397 1.00 0.00 H new ATOM 0 HA SER A 125 12.688 7.693 -7.452 1.00 0.00 H new ATOM 0 HB2 SER A 125 10.247 8.025 -7.106 1.00 0.00 H new ATOM 0 HB3 SER A 125 10.397 7.542 -5.428 1.00 0.00 H new ATOM 0 HG SER A 125 10.392 9.848 -5.681 1.00 0.00 H new ATOM 1923 N GLY A 126 12.731 6.911 -4.240 1.00 0.00 N ATOM 1924 CA GLY A 126 13.589 6.992 -3.073 1.00 0.00 C ATOM 1925 C GLY A 126 13.961 8.409 -2.787 1.00 0.00 C ATOM 1926 O GLY A 126 15.131 8.723 -2.571 1.00 0.00 O ATOM 0 H GLY A 126 11.807 6.514 -4.071 1.00 0.00 H new ATOM 0 HA2 GLY A 126 13.079 6.564 -2.210 1.00 0.00 H new ATOM 0 HA3 GLY A 126 14.490 6.400 -3.236 1.00 0.00 H new ATOM 1930 N ALA A 127 12.959 9.289 -2.846 1.00 0.00 N ATOM 1931 CA ALA A 127 13.202 10.704 -2.656 1.00 0.00 C ATOM 1932 C ALA A 127 14.386 11.086 -3.527 1.00 0.00 C ATOM 1933 O ALA A 127 15.115 12.037 -3.245 1.00 0.00 O ATOM 1934 CB ALA A 127 13.475 11.018 -1.192 1.00 0.00 C ATOM 0 H ALA A 127 11.985 9.042 -3.022 1.00 0.00 H new ATOM 0 HA ALA A 127 12.323 11.281 -2.942 1.00 0.00 H new ATOM 0 HB1 ALA A 127 13.654 12.087 -1.076 1.00 0.00 H new ATOM 0 HB2 ALA A 127 12.613 10.727 -0.591 1.00 0.00 H new ATOM 0 HB3 ALA A 127 14.353 10.465 -0.859 1.00 0.00 H new ATOM 1940 N ARG A 128 14.581 10.287 -4.582 1.00 0.00 N ATOM 1941 CA ARG A 128 15.679 10.475 -5.492 1.00 0.00 C ATOM 1942 C ARG A 128 15.183 10.789 -6.902 1.00 0.00 C ATOM 1943 O ARG A 128 15.593 11.779 -7.508 1.00 0.00 O ATOM 1944 CB ARG A 128 16.576 9.234 -5.509 1.00 0.00 C ATOM 1945 CG ARG A 128 18.017 9.521 -5.123 1.00 0.00 C ATOM 1946 CD ARG A 128 18.985 9.134 -6.229 1.00 0.00 C ATOM 1947 NE ARG A 128 19.429 7.747 -6.107 1.00 0.00 N ATOM 1948 CZ ARG A 128 20.146 7.284 -5.085 1.00 0.00 C ATOM 1949 NH1 ARG A 128 20.507 8.094 -4.097 1.00 0.00 N ATOM 1950 NH2 ARG A 128 20.505 6.008 -5.051 1.00 0.00 N ATOM 0 H ARG A 128 13.976 9.499 -4.815 1.00 0.00 H new ATOM 0 HA ARG A 128 16.261 11.328 -5.142 1.00 0.00 H new ATOM 0 HB2 ARG A 128 16.167 8.490 -4.825 1.00 0.00 H new ATOM 0 HB3 ARG A 128 16.556 8.795 -6.506 1.00 0.00 H new ATOM 0 HG2 ARG A 128 18.128 10.581 -4.897 1.00 0.00 H new ATOM 0 HG3 ARG A 128 18.266 8.973 -4.214 1.00 0.00 H new ATOM 0 HD2 ARG A 128 18.505 9.277 -7.197 1.00 0.00 H new ATOM 0 HD3 ARG A 128 19.851 9.796 -6.201 1.00 0.00 H new ATOM 0 HE ARG A 128 19.175 7.095 -6.849 1.00 0.00 H new ATOM 0 HH11 ARG A 128 20.235 9.077 -4.118 1.00 0.00 H new ATOM 0 HH12 ARG A 128 21.056 7.733 -3.317 1.00 0.00 H new ATOM 0 HH21 ARG A 128 20.232 5.381 -5.808 1.00 0.00 H new ATOM 0 HH22 ARG A 128 21.054 5.653 -4.268 1.00 0.00 H new ATOM 1964 N GLY A 129 14.297 9.936 -7.423 1.00 0.00 N ATOM 1965 CA GLY A 129 13.766 10.142 -8.758 1.00 0.00 C ATOM 1966 C GLY A 129 13.132 11.508 -8.933 1.00 0.00 C ATOM 1967 O GLY A 129 13.228 12.112 -10.002 1.00 0.00 O ATOM 0 H GLY A 129 13.941 9.110 -6.943 1.00 0.00 H new ATOM 0 HA2 GLY A 129 14.569 10.023 -9.486 1.00 0.00 H new ATOM 0 HA3 GLY A 129 13.025 9.372 -8.972 1.00 0.00 H new ATOM 1971 N SER A 130 12.483 11.997 -7.882 1.00 0.00 N ATOM 1972 CA SER A 130 11.832 13.301 -7.926 1.00 0.00 C ATOM 1973 C SER A 130 12.843 14.405 -8.219 1.00 0.00 C ATOM 1974 O SER A 130 13.981 14.314 -7.713 1.00 0.00 O ATOM 1975 CB SER A 130 11.120 13.584 -6.602 1.00 0.00 C ATOM 1976 OG SER A 130 9.938 12.810 -6.482 1.00 0.00 O ATOM 0 H SER A 130 12.394 11.510 -6.990 1.00 0.00 H new ATOM 0 HA SER A 130 11.096 13.284 -8.730 1.00 0.00 H new ATOM 0 HB2 SER A 130 11.789 13.362 -5.771 1.00 0.00 H new ATOM 0 HB3 SER A 130 10.873 14.644 -6.538 1.00 0.00 H new ATOM 0 HG SER A 130 9.503 13.008 -5.627 1.00 0.00 H new TER 1982 SER A 130 HETATM 1983 C ACE B 201 -15.118 16.224 -6.903 1.00 0.00 C HETATM 1984 O ACE B 201 -16.277 16.325 -6.501 1.00 0.00 O HETATM 1985 CH3 ACE B 201 -14.591 17.138 -8.004 1.00 0.00 C HETATM 0 H1 ACE B 201 -13.744 17.711 -7.627 1.00 0.00 H new HETATM 0 H2 ACE B 201 -14.272 16.536 -8.855 1.00 0.00 H new HETATM 0 H3 ACE B 201 -15.380 17.821 -8.318 1.00 0.00 H new ATOM 1989 N ASP B 202 -14.262 15.331 -6.418 1.00 0.00 N ATOM 1990 CA ASP B 202 -12.940 15.719 -5.941 1.00 0.00 C ATOM 1991 C ASP B 202 -12.083 14.491 -5.655 1.00 0.00 C ATOM 1992 O ASP B 202 -12.565 13.499 -5.109 1.00 0.00 O ATOM 1993 CB ASP B 202 -13.061 16.576 -4.679 1.00 0.00 C ATOM 1994 CG ASP B 202 -11.923 17.569 -4.543 1.00 0.00 C ATOM 1995 OD1 ASP B 202 -11.800 18.454 -5.416 1.00 0.00 O ATOM 1996 OD2 ASP B 202 -11.155 17.461 -3.564 1.00 0.00 O ATOM 0 H ASP B 202 -14.460 14.333 -6.345 1.00 0.00 H new ATOM 0 HA ASP B 202 -12.456 16.303 -6.724 1.00 0.00 H new ATOM 0 HB2 ASP B 202 -14.009 17.114 -4.698 1.00 0.00 H new ATOM 0 HB3 ASP B 202 -13.080 15.927 -3.803 1.00 0.00 H new ATOM 2001 N GLU B 203 -10.809 14.563 -6.028 1.00 0.00 N ATOM 2002 CA GLU B 203 -9.887 13.455 -5.812 1.00 0.00 C ATOM 2003 C GLU B 203 -8.600 13.936 -5.147 1.00 0.00 C ATOM 2004 O GLU B 203 -7.505 13.517 -5.520 1.00 0.00 O ATOM 2005 CB GLU B 203 -9.563 12.767 -7.140 1.00 0.00 C ATOM 2006 CG GLU B 203 -8.967 13.700 -8.180 1.00 0.00 C ATOM 2007 CD GLU B 203 -8.342 12.954 -9.342 1.00 0.00 C ATOM 2008 OE1 GLU B 203 -7.414 12.152 -9.103 1.00 0.00 O ATOM 2009 OE2 GLU B 203 -8.779 13.172 -10.492 1.00 0.00 O ATOM 0 H GLU B 203 -10.393 15.377 -6.481 1.00 0.00 H new ATOM 0 HA GLU B 203 -10.370 12.739 -5.148 1.00 0.00 H new ATOM 0 HB2 GLU B 203 -8.866 11.950 -6.955 1.00 0.00 H new ATOM 0 HB3 GLU B 203 -10.474 12.324 -7.542 1.00 0.00 H new ATOM 0 HG2 GLU B 203 -9.745 14.364 -8.556 1.00 0.00 H new ATOM 0 HG3 GLU B 203 -8.212 14.329 -7.708 1.00 0.00 H new HETATM 2016 N PTR B 204 -8.744 14.819 -4.158 1.00 0.00 N HETATM 2017 CA PTR B 204 -7.599 15.365 -3.427 1.00 0.00 C HETATM 2018 C PTR B 204 -6.431 15.676 -4.361 1.00 0.00 C HETATM 2019 O PTR B 204 -5.598 14.813 -4.638 1.00 0.00 O HETATM 2020 CB PTR B 204 -7.149 14.378 -2.347 1.00 0.00 C HETATM 2021 CG PTR B 204 -8.240 14.004 -1.366 1.00 0.00 C HETATM 2022 CD1 PTR B 204 -8.318 12.718 -0.841 1.00 0.00 C HETATM 2023 CD2 PTR B 204 -9.191 14.934 -0.965 1.00 0.00 C HETATM 2024 CE1 PTR B 204 -9.313 12.373 0.054 1.00 0.00 C HETATM 2025 CE2 PTR B 204 -10.188 14.596 -0.069 1.00 0.00 C HETATM 2026 CZ PTR B 204 -10.244 13.315 0.437 1.00 0.00 C HETATM 2027 OH PTR B 204 -11.236 12.974 1.328 1.00 0.00 O HETATM 2028 P PTR B 204 -12.714 13.277 0.932 1.00 0.00 P HETATM 2029 O1P PTR B 204 -13.094 14.531 1.761 1.00 0.00 O HETATM 2030 O2P PTR B 204 -13.518 12.060 1.458 1.00 0.00 O HETATM 2031 O3P PTR B 204 -12.885 13.487 -0.543 1.00 0.00 O HETATM 0 HN2 PTR B 204 -9.595 14.566 -3.657 1.00 0.00 H new HETATM 0 HE2 PTR B 204 -10.926 15.338 0.236 1.00 0.00 H new HETATM 0 HE1 PTR B 204 -9.361 11.361 0.455 1.00 0.00 H new HETATM 0 HD2 PTR B 204 -9.150 15.948 -1.364 1.00 0.00 H new HETATM 0 HD1 PTR B 204 -7.583 11.971 -1.140 1.00 0.00 H new HETATM 0 HB3 PTR B 204 -6.780 13.472 -2.828 1.00 0.00 H new HETATM 0 HB2 PTR B 204 -6.313 14.811 -1.798 1.00 0.00 H new HETATM 0 HA PTR B 204 -7.916 16.299 -2.962 1.00 0.00 H new ATOM 2040 N ASP B 205 -6.380 16.911 -4.847 1.00 0.00 N ATOM 2041 CA ASP B 205 -5.318 17.332 -5.754 1.00 0.00 C ATOM 2042 C ASP B 205 -3.977 17.459 -5.033 1.00 0.00 C ATOM 2043 O ASP B 205 -2.929 17.546 -5.673 1.00 0.00 O ATOM 2044 CB ASP B 205 -5.683 18.666 -6.409 1.00 0.00 C ATOM 2045 CG ASP B 205 -5.225 18.745 -7.852 1.00 0.00 C ATOM 2046 OD1 ASP B 205 -5.591 17.849 -8.641 1.00 0.00 O ATOM 2047 OD2 ASP B 205 -4.501 19.704 -8.193 1.00 0.00 O ATOM 0 H ASP B 205 -7.061 17.638 -4.628 1.00 0.00 H new ATOM 0 HA ASP B 205 -5.216 16.564 -6.521 1.00 0.00 H new ATOM 0 HB2 ASP B 205 -6.763 18.806 -6.365 1.00 0.00 H new ATOM 0 HB3 ASP B 205 -5.233 19.481 -5.842 1.00 0.00 H new ATOM 2052 N ASP B 206 -4.009 17.476 -3.702 1.00 0.00 N ATOM 2053 CA ASP B 206 -2.786 17.600 -2.915 1.00 0.00 C ATOM 2054 C ASP B 206 -2.609 16.409 -1.971 1.00 0.00 C ATOM 2055 O ASP B 206 -3.556 15.991 -1.305 1.00 0.00 O ATOM 2056 CB ASP B 206 -2.805 18.904 -2.113 1.00 0.00 C ATOM 2057 CG ASP B 206 -1.598 19.776 -2.397 1.00 0.00 C ATOM 2058 OD1 ASP B 206 -0.575 19.619 -1.698 1.00 0.00 O ATOM 2059 OD2 ASP B 206 -1.675 20.615 -3.319 1.00 0.00 O ATOM 0 H ASP B 206 -4.863 17.406 -3.149 1.00 0.00 H new ATOM 0 HA ASP B 206 -1.943 17.613 -3.606 1.00 0.00 H new ATOM 0 HB2 ASP B 206 -3.714 19.458 -2.348 1.00 0.00 H new ATOM 0 HB3 ASP B 206 -2.840 18.672 -1.049 1.00 0.00 H new ATOM 2064 N PRO B 207 -1.385 15.849 -1.897 1.00 0.00 N ATOM 2065 CA PRO B 207 -1.083 14.707 -1.026 1.00 0.00 C ATOM 2066 C PRO B 207 -1.520 14.945 0.417 1.00 0.00 C ATOM 2067 O PRO B 207 -2.515 14.383 0.874 1.00 0.00 O ATOM 2068 CB PRO B 207 0.449 14.577 -1.111 1.00 0.00 C ATOM 2069 CG PRO B 207 0.919 15.841 -1.748 1.00 0.00 C ATOM 2070 CD PRO B 207 -0.197 16.278 -2.645 1.00 0.00 C ATOM 0 HA PRO B 207 -1.615 13.809 -1.340 1.00 0.00 H new ATOM 0 HB2 PRO B 207 0.888 14.449 -0.122 1.00 0.00 H new ATOM 0 HB3 PRO B 207 0.737 13.708 -1.703 1.00 0.00 H new ATOM 0 HG2 PRO B 207 1.139 16.600 -0.997 1.00 0.00 H new ATOM 0 HG3 PRO B 207 1.836 15.677 -2.314 1.00 0.00 H new ATOM 0 HD2 PRO B 207 -0.188 17.355 -2.811 1.00 0.00 H new ATOM 0 HD3 PRO B 207 -0.140 15.804 -3.625 1.00 0.00 H new ATOM 2078 N PHE B 208 -0.770 15.780 1.131 1.00 0.00 N ATOM 2079 CA PHE B 208 -1.081 16.088 2.521 1.00 0.00 C ATOM 2080 C PHE B 208 -0.122 17.138 3.076 1.00 0.00 C ATOM 2081 O PHE B 208 0.683 17.709 2.341 1.00 0.00 O ATOM 2082 CB PHE B 208 -1.030 14.814 3.376 1.00 0.00 C ATOM 2083 CG PHE B 208 0.362 14.354 3.719 1.00 0.00 C ATOM 2084 CD1 PHE B 208 1.388 14.437 2.790 1.00 0.00 C ATOM 2085 CD2 PHE B 208 0.642 13.837 4.975 1.00 0.00 C ATOM 2086 CE1 PHE B 208 2.665 14.013 3.107 1.00 0.00 C ATOM 2087 CE2 PHE B 208 1.917 13.412 5.297 1.00 0.00 C ATOM 2088 CZ PHE B 208 2.930 13.500 4.361 1.00 0.00 C ATOM 0 H PHE B 208 0.057 16.255 0.769 1.00 0.00 H new ATOM 0 HA PHE B 208 -2.091 16.496 2.559 1.00 0.00 H new ATOM 0 HB2 PHE B 208 -1.581 14.988 4.300 1.00 0.00 H new ATOM 0 HB3 PHE B 208 -1.544 14.013 2.845 1.00 0.00 H new ATOM 0 HD1 PHE B 208 1.187 14.838 1.807 1.00 0.00 H new ATOM 0 HD2 PHE B 208 -0.146 13.766 5.710 1.00 0.00 H new ATOM 0 HE1 PHE B 208 3.455 14.083 2.374 1.00 0.00 H new ATOM 0 HE2 PHE B 208 2.122 13.012 6.279 1.00 0.00 H new ATOM 0 HZ PHE B 208 3.927 13.168 4.610 1.00 0.00 H new HETATM 2098 N NH2 B 209 -0.209 17.392 4.377 1.00 0.00 N TER 2101 NH2 B 209