USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 789 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 78 LYS NZ :NH3+ -153:sc= 1.04 (180deg=0.459) USER MOD Set 1.2: A 86 THR OG1 : rot 77:sc= 0.814 USER MOD Set 2.1: A 71 ASN :FLIP amide:sc= -1.93 F(o=-4.7,f=-3.8) USER MOD Set 2.2: A 90 SER OG : rot -30:sc= -1.87 USER MOD Set 3.1: A 31 LYS NZ :NH3+ -135:sc= 1.09 (180deg=0) USER MOD Set 3.2: A 33 ASN : amide:sc= -3.09! C(o=-2!,f=-16!) USER MOD Set 4.1: A 29 SER OG : rot 76:sc= 0.135 USER MOD Set 4.2: B 12 LYS NZ :NH3+ 149:sc= 0.00209 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.497 X(o=-0.5,f=-0.28) USER MOD Single : A 21 SER OG : rot -24:sc= -1.45 USER MOD Single : A 23 SER OG : rot 180:sc= 0.054 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -2.34 K(o=-2.3,f=-6.9!) USER MOD Single : A 39 HIS : no HD1:sc= -0.0844 X(o=-0.084,f=-0.19) USER MOD Single : A 47 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0996) USER MOD Single : A 48 SER OG : rot 42:sc= 1.01 USER MOD Single : A 51 ASN : amide:sc= 0.731 K(o=0.73,f=-0.88) USER MOD Single : A 56 SER OG : rot -105:sc= 0.26 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -2.53! C(o=-2.5!,f=-2.5!) USER MOD Single : A 66 GLN :FLIP amide:sc= -0.713 F(o=-1.7!,f=-0.71) USER MOD Single : A 74 SER OG : rot 29:sc= 0.584 USER MOD Single : A 80 ASN : amide:sc= -4.77 K(o=-4.8,f=-7.7!) USER MOD Single : A 81 GLN :FLIP amide:sc= -0.123 F(o=-0.89,f=-0.12) USER MOD Single : A 84 MET CE :methyl 178:sc= -2.47 (180deg=-2.58) USER MOD Single : A 91 MET CE :methyl -158:sc= -7.57! (180deg=-10.1!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 ASN :FLIP amide:sc= -0.993 F(o=-2.4!,f=-0.99) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 MET CE :methyl -169:sc= -2.08 (180deg=-2.72) USER MOD Single : A 102 GLN : amide:sc= -8.78! C(o=-8.8!,f=-18!) USER MOD Single : B 11 THR OG1 : rot 133:sc= 1.5 USER MOD ----------------------------------------------------------------- ATOM 46 N GLU A 10 -3.729 -4.018 -8.209 1.00 0.00 N ATOM 47 CA GLU A 10 -3.556 -2.868 -9.090 1.00 0.00 C ATOM 48 C GLU A 10 -2.399 -1.988 -8.628 1.00 0.00 C ATOM 49 O GLU A 10 -2.039 -1.983 -7.451 1.00 0.00 O ATOM 50 CB GLU A 10 -4.846 -2.047 -9.149 1.00 0.00 C ATOM 51 CG GLU A 10 -5.245 -1.447 -7.810 1.00 0.00 C ATOM 52 CD GLU A 10 -6.308 -0.374 -7.948 1.00 0.00 C ATOM 53 OE1 GLU A 10 -7.272 -0.587 -8.712 1.00 0.00 O ATOM 54 OE2 GLU A 10 -6.176 0.679 -7.289 1.00 0.00 O ATOM 0 HA GLU A 10 -3.323 -3.242 -10.087 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.723 -1.244 -9.876 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.655 -2.682 -9.509 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.614 -2.238 -7.157 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.364 -1.022 -7.329 1.00 0.00 H new ATOM 61 N PHE A 11 -1.823 -1.242 -9.566 1.00 0.00 N ATOM 62 CA PHE A 11 -0.707 -0.353 -9.263 1.00 0.00 C ATOM 63 C PHE A 11 -1.184 1.090 -9.132 1.00 0.00 C ATOM 64 O PHE A 11 -2.147 1.497 -9.780 1.00 0.00 O ATOM 65 CB PHE A 11 0.363 -0.453 -10.351 1.00 0.00 C ATOM 66 CG PHE A 11 1.088 -1.769 -10.363 1.00 0.00 C ATOM 67 CD1 PHE A 11 0.411 -2.944 -10.650 1.00 0.00 C ATOM 68 CD2 PHE A 11 2.443 -1.830 -10.086 1.00 0.00 C ATOM 69 CE1 PHE A 11 1.076 -4.156 -10.661 1.00 0.00 C ATOM 70 CE2 PHE A 11 3.113 -3.039 -10.096 1.00 0.00 C ATOM 71 CZ PHE A 11 2.428 -4.203 -10.383 1.00 0.00 C ATOM 0 H PHE A 11 -2.112 -1.236 -10.544 1.00 0.00 H new ATOM 0 HA PHE A 11 -0.275 -0.663 -8.311 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -0.104 -0.296 -11.323 1.00 0.00 H new ATOM 0 HB3 PHE A 11 1.087 0.350 -10.212 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -0.646 -2.912 -10.867 1.00 0.00 H new ATOM 0 HD2 PHE A 11 2.983 -0.922 -9.859 1.00 0.00 H new ATOM 0 HE1 PHE A 11 0.539 -5.065 -10.887 1.00 0.00 H new ATOM 0 HE2 PHE A 11 4.171 -3.073 -9.880 1.00 0.00 H new ATOM 0 HZ PHE A 11 2.949 -5.149 -10.390 1.00 0.00 H new ATOM 81 N LEU A 12 -0.504 1.858 -8.285 1.00 0.00 N ATOM 82 CA LEU A 12 -0.860 3.256 -8.065 1.00 0.00 C ATOM 83 C LEU A 12 0.377 4.148 -8.101 1.00 0.00 C ATOM 84 O LEU A 12 1.219 4.093 -7.205 1.00 0.00 O ATOM 85 CB LEU A 12 -1.578 3.421 -6.720 1.00 0.00 C ATOM 86 CG LEU A 12 -2.486 2.256 -6.309 1.00 0.00 C ATOM 87 CD1 LEU A 12 -2.156 1.792 -4.897 1.00 0.00 C ATOM 88 CD2 LEU A 12 -3.949 2.657 -6.412 1.00 0.00 C ATOM 0 H LEU A 12 0.296 1.536 -7.740 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.531 3.560 -8.869 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.828 3.566 -5.943 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.178 4.330 -6.757 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.309 1.426 -6.992 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.811 0.965 -4.623 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.118 1.462 -4.856 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.303 2.617 -4.199 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.578 1.817 -6.116 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.141 3.504 -5.754 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.178 2.937 -7.440 1.00 0.00 H new ATOM 100 N THR A 13 0.477 4.971 -9.140 1.00 0.00 N ATOM 101 CA THR A 13 1.607 5.879 -9.292 1.00 0.00 C ATOM 102 C THR A 13 1.258 7.265 -8.754 1.00 0.00 C ATOM 103 O THR A 13 0.193 7.804 -9.056 1.00 0.00 O ATOM 104 CB THR A 13 2.012 5.973 -10.763 1.00 0.00 C ATOM 105 OG1 THR A 13 2.341 4.694 -11.279 1.00 0.00 O ATOM 106 CG2 THR A 13 3.194 6.884 -11.002 1.00 0.00 C ATOM 0 H THR A 13 -0.212 5.027 -9.890 1.00 0.00 H new ATOM 0 HA THR A 13 2.446 5.486 -8.718 1.00 0.00 H new ATOM 0 HB THR A 13 1.144 6.391 -11.273 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.595 4.777 -12.222 1.00 0.00 H new ATOM 0 HG21 THR A 13 3.428 6.905 -12.066 1.00 0.00 H new ATOM 0 HG22 THR A 13 2.951 7.891 -10.664 1.00 0.00 H new ATOM 0 HG23 THR A 13 4.057 6.514 -10.448 1.00 0.00 H new ATOM 114 N PHE A 14 2.150 7.833 -7.947 1.00 0.00 N ATOM 115 CA PHE A 14 1.914 9.151 -7.364 1.00 0.00 C ATOM 116 C PHE A 14 3.182 9.999 -7.329 1.00 0.00 C ATOM 117 O PHE A 14 4.278 9.521 -7.614 1.00 0.00 O ATOM 118 CB PHE A 14 1.355 9.007 -5.948 1.00 0.00 C ATOM 119 CG PHE A 14 0.117 8.162 -5.873 1.00 0.00 C ATOM 120 CD1 PHE A 14 -1.061 8.581 -6.470 1.00 0.00 C ATOM 121 CD2 PHE A 14 0.131 6.947 -5.209 1.00 0.00 C ATOM 122 CE1 PHE A 14 -2.202 7.805 -6.403 1.00 0.00 C ATOM 123 CE2 PHE A 14 -1.007 6.165 -5.139 1.00 0.00 C ATOM 124 CZ PHE A 14 -2.175 6.595 -5.737 1.00 0.00 C ATOM 0 H PHE A 14 3.037 7.405 -7.683 1.00 0.00 H new ATOM 0 HA PHE A 14 1.189 9.660 -7.999 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.121 8.572 -5.307 1.00 0.00 H new ATOM 0 HB3 PHE A 14 1.133 9.998 -5.552 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -1.088 9.525 -6.994 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.042 6.606 -4.740 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -3.114 8.144 -6.871 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.982 5.220 -4.618 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.066 5.987 -5.684 1.00 0.00 H new ATOM 134 N GLU A 15 3.009 11.264 -6.957 1.00 0.00 N ATOM 135 CA GLU A 15 4.116 12.209 -6.852 1.00 0.00 C ATOM 136 C GLU A 15 4.066 12.888 -5.489 1.00 0.00 C ATOM 137 O GLU A 15 3.133 13.635 -5.193 1.00 0.00 O ATOM 138 CB GLU A 15 4.049 13.253 -7.971 1.00 0.00 C ATOM 139 CG GLU A 15 3.255 12.805 -9.189 1.00 0.00 C ATOM 140 CD GLU A 15 1.813 13.273 -9.149 1.00 0.00 C ATOM 141 OE1 GLU A 15 1.002 12.637 -8.443 1.00 0.00 O ATOM 142 OE2 GLU A 15 1.494 14.276 -9.824 1.00 0.00 O ATOM 0 H GLU A 15 2.100 11.662 -6.720 1.00 0.00 H new ATOM 0 HA GLU A 15 5.057 11.669 -6.956 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.604 14.166 -7.576 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.063 13.502 -8.283 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.733 13.188 -10.091 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.279 11.717 -9.254 1.00 0.00 H new ATOM 149 N VAL A 16 5.049 12.595 -4.645 1.00 0.00 N ATOM 150 CA VAL A 16 5.086 13.152 -3.299 1.00 0.00 C ATOM 151 C VAL A 16 6.092 14.291 -3.161 1.00 0.00 C ATOM 152 O VAL A 16 7.302 14.067 -3.214 1.00 0.00 O ATOM 153 CB VAL A 16 5.433 12.063 -2.266 1.00 0.00 C ATOM 154 CG1 VAL A 16 5.333 12.609 -0.850 1.00 0.00 C ATOM 155 CG2 VAL A 16 4.529 10.854 -2.445 1.00 0.00 C ATOM 0 H VAL A 16 5.829 11.977 -4.869 1.00 0.00 H new ATOM 0 HA VAL A 16 4.089 13.550 -3.110 1.00 0.00 H new ATOM 0 HB VAL A 16 6.463 11.748 -2.432 1.00 0.00 H new ATOM 0 HG11 VAL A 16 5.582 11.822 -0.138 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.028 13.440 -0.731 1.00 0.00 H new ATOM 0 HG13 VAL A 16 4.317 12.957 -0.665 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.787 10.094 -1.708 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.490 11.153 -2.309 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.661 10.446 -3.447 1.00 0.00 H new ATOM 165 N PRO A 17 5.608 15.531 -2.949 1.00 0.00 N ATOM 166 CA PRO A 17 6.477 16.688 -2.770 1.00 0.00 C ATOM 167 C PRO A 17 6.976 16.776 -1.331 1.00 0.00 C ATOM 168 O PRO A 17 6.181 16.723 -0.393 1.00 0.00 O ATOM 169 CB PRO A 17 5.552 17.857 -3.092 1.00 0.00 C ATOM 170 CG PRO A 17 4.203 17.395 -2.657 1.00 0.00 C ATOM 171 CD PRO A 17 4.181 15.896 -2.840 1.00 0.00 C ATOM 0 HA PRO A 17 7.371 16.657 -3.392 1.00 0.00 H new ATOM 0 HB2 PRO A 17 5.853 18.760 -2.560 1.00 0.00 H new ATOM 0 HB3 PRO A 17 5.567 18.094 -4.156 1.00 0.00 H new ATOM 0 HG2 PRO A 17 4.019 17.661 -1.616 1.00 0.00 H new ATOM 0 HG3 PRO A 17 3.421 17.869 -3.250 1.00 0.00 H new ATOM 0 HD2 PRO A 17 3.704 15.397 -1.996 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.626 15.611 -3.734 1.00 0.00 H new ATOM 179 N LEU A 18 8.290 16.889 -1.152 1.00 0.00 N ATOM 180 CA LEU A 18 8.865 16.952 0.188 1.00 0.00 C ATOM 181 C LEU A 18 9.684 18.215 0.395 1.00 0.00 C ATOM 182 O LEU A 18 10.623 18.230 1.190 1.00 0.00 O ATOM 183 CB LEU A 18 9.743 15.736 0.422 1.00 0.00 C ATOM 184 CG LEU A 18 10.770 15.514 -0.675 1.00 0.00 C ATOM 185 CD1 LEU A 18 12.114 15.125 -0.085 1.00 0.00 C ATOM 186 CD2 LEU A 18 10.282 14.462 -1.653 1.00 0.00 C ATOM 0 H LEU A 18 8.970 16.938 -1.910 1.00 0.00 H new ATOM 0 HA LEU A 18 8.042 16.967 0.902 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.259 15.848 1.376 1.00 0.00 H new ATOM 0 HB3 LEU A 18 9.112 14.851 0.503 1.00 0.00 H new ATOM 0 HG LEU A 18 10.901 16.450 -1.218 1.00 0.00 H new ATOM 0 HD11 LEU A 18 12.834 14.971 -0.889 1.00 0.00 H new ATOM 0 HD12 LEU A 18 12.467 15.921 0.571 1.00 0.00 H new ATOM 0 HD13 LEU A 18 12.007 14.204 0.487 1.00 0.00 H new ATOM 0 HD21 LEU A 18 11.030 14.315 -2.432 1.00 0.00 H new ATOM 0 HD22 LEU A 18 10.119 13.522 -1.125 1.00 0.00 H new ATOM 0 HD23 LEU A 18 9.346 14.792 -2.105 1.00 0.00 H new ATOM 198 N ASN A 19 9.318 19.271 -0.316 1.00 0.00 N ATOM 199 CA ASN A 19 10.010 20.560 -0.206 1.00 0.00 C ATOM 200 C ASN A 19 10.393 20.859 1.243 1.00 0.00 C ATOM 201 O ASN A 19 11.409 21.502 1.510 1.00 0.00 O ATOM 202 CB ASN A 19 9.129 21.694 -0.744 1.00 0.00 C ATOM 203 CG ASN A 19 7.646 21.364 -0.712 1.00 0.00 C ATOM 204 OD1 ASN A 19 7.002 21.249 -1.755 1.00 0.00 O ATOM 205 ND2 ASN A 19 7.095 21.212 0.489 1.00 0.00 N ATOM 0 H ASN A 19 8.543 19.267 -0.980 1.00 0.00 H new ATOM 0 HA ASN A 19 10.920 20.495 -0.803 1.00 0.00 H new ATOM 0 HB2 ASN A 19 9.307 22.594 -0.156 1.00 0.00 H new ATOM 0 HB3 ASN A 19 9.423 21.919 -1.769 1.00 0.00 H new ATOM 0 HD21 ASN A 19 6.102 20.991 0.571 1.00 0.00 H new ATOM 0 HD22 ASN A 19 7.665 21.316 1.328 1.00 0.00 H new ATOM 212 N ASP A 20 9.575 20.377 2.170 1.00 0.00 N ATOM 213 CA ASP A 20 9.817 20.572 3.593 1.00 0.00 C ATOM 214 C ASP A 20 10.128 19.242 4.262 1.00 0.00 C ATOM 215 O ASP A 20 10.906 19.174 5.212 1.00 0.00 O ATOM 216 CB ASP A 20 8.601 21.212 4.264 1.00 0.00 C ATOM 217 CG ASP A 20 8.268 22.572 3.682 1.00 0.00 C ATOM 218 OD1 ASP A 20 8.867 23.572 4.128 1.00 0.00 O ATOM 219 OD2 ASP A 20 7.404 22.636 2.782 1.00 0.00 O ATOM 0 H ASP A 20 8.731 19.844 1.959 1.00 0.00 H new ATOM 0 HA ASP A 20 10.672 21.239 3.704 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.740 20.552 4.155 1.00 0.00 H new ATOM 0 HB3 ASP A 20 8.791 21.314 5.333 1.00 0.00 H new ATOM 224 N SER A 21 9.511 18.181 3.750 1.00 0.00 N ATOM 225 CA SER A 21 9.714 16.844 4.286 1.00 0.00 C ATOM 226 C SER A 21 11.111 16.323 3.954 1.00 0.00 C ATOM 227 O SER A 21 11.515 15.269 4.444 1.00 0.00 O ATOM 228 CB SER A 21 8.654 15.891 3.732 1.00 0.00 C ATOM 229 OG SER A 21 8.843 14.574 4.223 1.00 0.00 O ATOM 0 H SER A 21 8.865 18.224 2.962 1.00 0.00 H new ATOM 0 HA SER A 21 9.620 16.896 5.371 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.661 16.246 4.009 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.699 15.886 2.643 1.00 0.00 H new ATOM 0 HG SER A 21 9.781 14.452 4.478 1.00 0.00 H new ATOM 235 N GLY A 22 11.848 17.063 3.121 1.00 0.00 N ATOM 236 CA GLY A 22 13.192 16.648 2.750 1.00 0.00 C ATOM 237 C GLY A 22 14.012 16.182 3.940 1.00 0.00 C ATOM 238 O GLY A 22 14.905 15.345 3.797 1.00 0.00 O ATOM 0 H GLY A 22 11.538 17.938 2.699 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.130 15.842 2.019 1.00 0.00 H new ATOM 0 HA3 GLY A 22 13.703 17.479 2.265 1.00 0.00 H new ATOM 242 N SER A 23 13.705 16.720 5.115 1.00 0.00 N ATOM 243 CA SER A 23 14.416 16.350 6.333 1.00 0.00 C ATOM 244 C SER A 23 13.804 15.096 6.951 1.00 0.00 C ATOM 245 O SER A 23 14.510 14.270 7.532 1.00 0.00 O ATOM 246 CB SER A 23 14.381 17.500 7.341 1.00 0.00 C ATOM 247 OG SER A 23 13.124 18.154 7.327 1.00 0.00 O ATOM 0 H SER A 23 12.969 17.413 5.250 1.00 0.00 H new ATOM 0 HA SER A 23 15.454 16.141 6.073 1.00 0.00 H new ATOM 0 HB2 SER A 23 14.584 17.117 8.341 1.00 0.00 H new ATOM 0 HB3 SER A 23 15.169 18.216 7.108 1.00 0.00 H new ATOM 0 HG SER A 23 13.128 18.884 7.981 1.00 0.00 H new ATOM 253 N ALA A 24 12.488 14.960 6.819 1.00 0.00 N ATOM 254 CA ALA A 24 11.779 13.808 7.362 1.00 0.00 C ATOM 255 C ALA A 24 11.751 12.647 6.368 1.00 0.00 C ATOM 256 O ALA A 24 11.079 11.645 6.600 1.00 0.00 O ATOM 257 CB ALA A 24 10.360 14.201 7.747 1.00 0.00 C ATOM 0 H ALA A 24 11.891 15.634 6.340 1.00 0.00 H new ATOM 0 HA ALA A 24 12.315 13.474 8.251 1.00 0.00 H new ATOM 0 HB1 ALA A 24 9.839 13.333 8.151 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.392 14.988 8.500 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.831 14.563 6.866 1.00 0.00 H new ATOM 263 N GLY A 25 12.476 12.786 5.258 1.00 0.00 N ATOM 264 CA GLY A 25 12.501 11.737 4.254 1.00 0.00 C ATOM 265 C GLY A 25 11.354 11.863 3.274 1.00 0.00 C ATOM 266 O GLY A 25 11.565 11.937 2.064 1.00 0.00 O ATOM 0 H GLY A 25 13.044 13.604 5.038 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.446 11.776 3.713 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.454 10.765 4.744 1.00 0.00 H new ATOM 270 N LEU A 26 10.137 11.904 3.804 1.00 0.00 N ATOM 271 CA LEU A 26 8.943 12.038 2.979 1.00 0.00 C ATOM 272 C LEU A 26 7.688 12.086 3.841 1.00 0.00 C ATOM 273 O LEU A 26 6.720 12.758 3.498 1.00 0.00 O ATOM 274 CB LEU A 26 8.841 10.897 1.969 1.00 0.00 C ATOM 275 CG LEU A 26 8.151 11.276 0.658 1.00 0.00 C ATOM 276 CD1 LEU A 26 8.889 12.422 -0.021 1.00 0.00 C ATOM 277 CD2 LEU A 26 8.059 10.074 -0.269 1.00 0.00 C ATOM 0 H LEU A 26 9.951 11.846 4.805 1.00 0.00 H new ATOM 0 HA LEU A 26 9.026 12.977 2.432 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.844 10.534 1.746 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.297 10.070 2.426 1.00 0.00 H new ATOM 0 HG LEU A 26 7.138 11.607 0.887 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.384 12.679 -0.952 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.898 13.290 0.638 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.914 12.119 -0.235 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.565 10.366 -1.196 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.062 9.709 -0.492 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.485 9.284 0.215 1.00 0.00 H new ATOM 289 N GLY A 27 7.708 11.377 4.964 1.00 0.00 N ATOM 290 CA GLY A 27 6.560 11.374 5.850 1.00 0.00 C ATOM 291 C GLY A 27 5.885 10.022 5.956 1.00 0.00 C ATOM 292 O GLY A 27 4.672 9.949 6.142 1.00 0.00 O ATOM 0 H GLY A 27 8.495 10.807 5.275 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.876 11.693 6.843 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.835 12.107 5.496 1.00 0.00 H new ATOM 296 N VAL A 28 6.659 8.946 5.841 1.00 0.00 N ATOM 297 CA VAL A 28 6.097 7.601 5.937 1.00 0.00 C ATOM 298 C VAL A 28 7.111 6.603 6.482 1.00 0.00 C ATOM 299 O VAL A 28 8.317 6.839 6.440 1.00 0.00 O ATOM 300 CB VAL A 28 5.592 7.086 4.573 1.00 0.00 C ATOM 301 CG1 VAL A 28 4.500 7.984 4.027 1.00 0.00 C ATOM 302 CG2 VAL A 28 6.742 6.970 3.580 1.00 0.00 C ATOM 0 H VAL A 28 7.666 8.977 5.683 1.00 0.00 H new ATOM 0 HA VAL A 28 5.256 7.680 6.626 1.00 0.00 H new ATOM 0 HB VAL A 28 5.170 6.092 4.722 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.160 7.600 3.065 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.663 8.005 4.725 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.890 8.994 3.898 1.00 0.00 H new ATOM 0 HG21 VAL A 28 6.363 6.605 2.625 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.200 7.949 3.438 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.486 6.273 3.965 1.00 0.00 H new ATOM 312 N SER A 29 6.605 5.476 6.969 1.00 0.00 N ATOM 313 CA SER A 29 7.448 4.417 7.504 1.00 0.00 C ATOM 314 C SER A 29 7.182 3.122 6.747 1.00 0.00 C ATOM 315 O SER A 29 6.061 2.618 6.748 1.00 0.00 O ATOM 316 CB SER A 29 7.181 4.217 8.997 1.00 0.00 C ATOM 317 OG SER A 29 6.833 5.441 9.620 1.00 0.00 O ATOM 0 H SER A 29 5.606 5.273 7.004 1.00 0.00 H new ATOM 0 HA SER A 29 8.493 4.702 7.379 1.00 0.00 H new ATOM 0 HB2 SER A 29 6.376 3.494 9.132 1.00 0.00 H new ATOM 0 HB3 SER A 29 8.067 3.800 9.476 1.00 0.00 H new ATOM 0 HG SER A 29 5.909 5.674 9.391 1.00 0.00 H new ATOM 323 N VAL A 30 8.208 2.601 6.080 1.00 0.00 N ATOM 324 CA VAL A 30 8.065 1.376 5.301 1.00 0.00 C ATOM 325 C VAL A 30 8.821 0.210 5.929 1.00 0.00 C ATOM 326 O VAL A 30 9.925 0.378 6.447 1.00 0.00 O ATOM 327 CB VAL A 30 8.564 1.572 3.857 1.00 0.00 C ATOM 328 CG1 VAL A 30 7.533 2.326 3.032 1.00 0.00 C ATOM 329 CG2 VAL A 30 9.902 2.298 3.845 1.00 0.00 C ATOM 0 H VAL A 30 9.144 3.006 6.063 1.00 0.00 H new ATOM 0 HA VAL A 30 7.001 1.141 5.291 1.00 0.00 H new ATOM 0 HB VAL A 30 8.707 0.589 3.407 1.00 0.00 H new ATOM 0 HG11 VAL A 30 7.904 2.454 2.015 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.601 1.761 3.010 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.354 3.304 3.479 1.00 0.00 H new ATOM 0 HG21 VAL A 30 10.237 2.426 2.816 1.00 0.00 H new ATOM 0 HG22 VAL A 30 9.790 3.275 4.315 1.00 0.00 H new ATOM 0 HG23 VAL A 30 10.638 1.713 4.396 1.00 0.00 H new ATOM 339 N LYS A 31 8.221 -0.974 5.866 1.00 0.00 N ATOM 340 CA LYS A 31 8.835 -2.177 6.414 1.00 0.00 C ATOM 341 C LYS A 31 8.583 -3.372 5.498 1.00 0.00 C ATOM 342 O LYS A 31 7.452 -3.612 5.075 1.00 0.00 O ATOM 343 CB LYS A 31 8.294 -2.466 7.817 1.00 0.00 C ATOM 344 CG LYS A 31 6.816 -2.822 7.846 1.00 0.00 C ATOM 345 CD LYS A 31 6.575 -4.177 8.498 1.00 0.00 C ATOM 346 CE LYS A 31 6.084 -5.204 7.492 1.00 0.00 C ATOM 347 NZ LYS A 31 5.060 -6.109 8.079 1.00 0.00 N ATOM 0 H LYS A 31 7.307 -1.126 5.439 1.00 0.00 H new ATOM 0 HA LYS A 31 9.910 -2.010 6.482 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.864 -3.286 8.254 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.460 -1.592 8.447 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.267 -2.054 8.391 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.424 -2.833 6.829 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.499 -4.530 8.957 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.842 -4.071 9.298 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.663 -4.692 6.627 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.928 -5.794 7.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 5.271 -7.092 7.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.072 -6.021 9.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.119 -5.848 7.720 1.00 0.00 H new ATOM 361 N GLY A 32 9.643 -4.105 5.178 1.00 0.00 N ATOM 362 CA GLY A 32 9.506 -5.250 4.300 1.00 0.00 C ATOM 363 C GLY A 32 9.239 -6.547 5.039 1.00 0.00 C ATOM 364 O GLY A 32 9.497 -6.656 6.237 1.00 0.00 O ATOM 0 H GLY A 32 10.591 -3.927 5.510 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.692 -5.066 3.599 1.00 0.00 H new ATOM 0 HA3 GLY A 32 10.416 -5.357 3.710 1.00 0.00 H new ATOM 368 N ASN A 33 8.718 -7.531 4.310 1.00 0.00 N ATOM 369 CA ASN A 33 8.409 -8.835 4.885 1.00 0.00 C ATOM 370 C ASN A 33 9.202 -9.937 4.192 1.00 0.00 C ATOM 371 O ASN A 33 9.976 -9.674 3.271 1.00 0.00 O ATOM 372 CB ASN A 33 6.913 -9.128 4.771 1.00 0.00 C ATOM 373 CG ASN A 33 6.083 -8.288 5.722 1.00 0.00 C ATOM 374 OD1 ASN A 33 6.517 -7.975 6.831 1.00 0.00 O ATOM 375 ND2 ASN A 33 4.882 -7.921 5.293 1.00 0.00 N ATOM 0 H ASN A 33 8.501 -7.448 3.317 1.00 0.00 H new ATOM 0 HA ASN A 33 8.690 -8.812 5.938 1.00 0.00 H new ATOM 0 HB2 ASN A 33 6.587 -8.942 3.748 1.00 0.00 H new ATOM 0 HB3 ASN A 33 6.736 -10.184 4.975 1.00 0.00 H new ATOM 0 HD21 ASN A 33 4.278 -7.357 5.890 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.563 -8.203 4.366 1.00 0.00 H new ATOM 382 N ARG A 34 8.999 -11.171 4.639 1.00 0.00 N ATOM 383 CA ARG A 34 9.689 -12.316 4.062 1.00 0.00 C ATOM 384 C ARG A 34 8.688 -13.378 3.616 1.00 0.00 C ATOM 385 O ARG A 34 7.569 -13.444 4.125 1.00 0.00 O ATOM 386 CB ARG A 34 10.673 -12.911 5.071 1.00 0.00 C ATOM 387 CG ARG A 34 12.121 -12.540 4.798 1.00 0.00 C ATOM 388 CD ARG A 34 13.067 -13.214 5.780 1.00 0.00 C ATOM 389 NE ARG A 34 14.045 -12.278 6.327 1.00 0.00 N ATOM 390 CZ ARG A 34 13.768 -11.385 7.275 1.00 0.00 C ATOM 391 NH1 ARG A 34 12.545 -11.308 7.785 1.00 0.00 N ATOM 392 NH2 ARG A 34 14.715 -10.569 7.715 1.00 0.00 N ATOM 0 H ARG A 34 8.361 -11.403 5.400 1.00 0.00 H new ATOM 0 HA ARG A 34 10.245 -11.975 3.189 1.00 0.00 H new ATOM 0 HB2 ARG A 34 10.403 -12.574 6.072 1.00 0.00 H new ATOM 0 HB3 ARG A 34 10.577 -13.997 5.063 1.00 0.00 H new ATOM 0 HG2 ARG A 34 12.385 -12.829 3.781 1.00 0.00 H new ATOM 0 HG3 ARG A 34 12.238 -11.458 4.863 1.00 0.00 H new ATOM 0 HD2 ARG A 34 12.491 -13.654 6.594 1.00 0.00 H new ATOM 0 HD3 ARG A 34 13.587 -14.031 5.280 1.00 0.00 H new ATOM 0 HE ARG A 34 14.997 -12.310 5.961 1.00 0.00 H new ATOM 0 HH11 ARG A 34 11.813 -11.935 7.451 1.00 0.00 H new ATOM 0 HH12 ARG A 34 12.337 -10.622 8.511 1.00 0.00 H new ATOM 0 HH21 ARG A 34 15.657 -10.625 7.327 1.00 0.00 H new ATOM 0 HH22 ARG A 34 14.502 -9.885 8.441 1.00 0.00 H new ATOM 406 N SER A 35 9.098 -14.204 2.661 1.00 0.00 N ATOM 407 CA SER A 35 8.239 -15.262 2.143 1.00 0.00 C ATOM 408 C SER A 35 7.778 -16.190 3.261 1.00 0.00 C ATOM 409 O SER A 35 8.546 -16.522 4.164 1.00 0.00 O ATOM 410 CB SER A 35 8.976 -16.064 1.068 1.00 0.00 C ATOM 411 OG SER A 35 8.105 -16.421 0.010 1.00 0.00 O ATOM 0 H SER A 35 10.021 -14.161 2.229 1.00 0.00 H new ATOM 0 HA SER A 35 7.359 -14.796 1.700 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.806 -15.476 0.677 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.403 -16.964 1.510 1.00 0.00 H new ATOM 0 HG SER A 35 8.601 -16.931 -0.664 1.00 0.00 H new ATOM 417 N LYS A 36 6.518 -16.608 3.194 1.00 0.00 N ATOM 418 CA LYS A 36 5.952 -17.499 4.199 1.00 0.00 C ATOM 419 C LYS A 36 6.650 -18.855 4.182 1.00 0.00 C ATOM 420 O LYS A 36 6.719 -19.540 5.203 1.00 0.00 O ATOM 421 CB LYS A 36 4.452 -17.681 3.961 1.00 0.00 C ATOM 422 CG LYS A 36 3.653 -16.396 4.120 1.00 0.00 C ATOM 423 CD LYS A 36 2.156 -16.666 4.107 1.00 0.00 C ATOM 424 CE LYS A 36 1.530 -16.282 2.776 1.00 0.00 C ATOM 425 NZ LYS A 36 0.896 -14.935 2.829 1.00 0.00 N ATOM 0 H LYS A 36 5.869 -16.343 2.453 1.00 0.00 H new ATOM 0 HA LYS A 36 6.106 -17.045 5.178 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.296 -18.074 2.956 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.069 -18.426 4.658 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.928 -15.909 5.055 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.907 -15.706 3.315 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.975 -17.723 4.304 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.678 -16.105 4.910 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.294 -16.293 1.999 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.782 -17.025 2.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.481 -14.710 1.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.150 -14.931 3.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.615 -14.222 3.068 1.00 0.00 H new ATOM 439 N GLU A 37 7.166 -19.238 3.019 1.00 0.00 N ATOM 440 CA GLU A 37 7.859 -20.514 2.873 1.00 0.00 C ATOM 441 C GLU A 37 9.324 -20.388 3.277 1.00 0.00 C ATOM 442 O GLU A 37 9.724 -20.845 4.348 1.00 0.00 O ATOM 443 CB GLU A 37 7.756 -21.011 1.429 1.00 0.00 C ATOM 444 CG GLU A 37 6.594 -21.964 1.195 1.00 0.00 C ATOM 445 CD GLU A 37 6.611 -22.574 -0.193 1.00 0.00 C ATOM 446 OE1 GLU A 37 6.012 -21.975 -1.111 1.00 0.00 O ATOM 447 OE2 GLU A 37 7.223 -23.649 -0.363 1.00 0.00 O ATOM 0 H GLU A 37 7.118 -18.684 2.164 1.00 0.00 H new ATOM 0 HA GLU A 37 7.381 -21.237 3.534 1.00 0.00 H new ATOM 0 HB2 GLU A 37 7.651 -20.153 0.765 1.00 0.00 H new ATOM 0 HB3 GLU A 37 8.686 -21.512 1.159 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.627 -22.761 1.938 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.655 -21.430 1.342 1.00 0.00 H new ATOM 454 N ASN A 38 10.120 -19.765 2.414 1.00 0.00 N ATOM 455 CA ASN A 38 11.542 -19.581 2.681 1.00 0.00 C ATOM 456 C ASN A 38 11.804 -18.222 3.321 1.00 0.00 C ATOM 457 O ASN A 38 10.887 -17.422 3.501 1.00 0.00 O ATOM 458 CB ASN A 38 12.346 -19.714 1.387 1.00 0.00 C ATOM 459 CG ASN A 38 11.838 -18.793 0.294 1.00 0.00 C ATOM 460 OD1 ASN A 38 12.062 -17.582 0.333 1.00 0.00 O ATOM 461 ND2 ASN A 38 11.150 -19.364 -0.687 1.00 0.00 N ATOM 0 H ASN A 38 9.805 -19.379 1.524 1.00 0.00 H new ATOM 0 HA ASN A 38 11.859 -20.357 3.378 1.00 0.00 H new ATOM 0 HB2 ASN A 38 13.394 -19.491 1.589 1.00 0.00 H new ATOM 0 HB3 ASN A 38 12.301 -20.746 1.039 1.00 0.00 H new ATOM 0 HD21 ASN A 38 10.782 -18.796 -1.450 1.00 0.00 H new ATOM 0 HD22 ASN A 38 10.989 -20.371 -0.678 1.00 0.00 H new ATOM 468 N HIS A 39 13.064 -17.968 3.661 1.00 0.00 N ATOM 469 CA HIS A 39 13.448 -16.705 4.281 1.00 0.00 C ATOM 470 C HIS A 39 13.898 -15.697 3.228 1.00 0.00 C ATOM 471 O HIS A 39 15.024 -15.198 3.268 1.00 0.00 O ATOM 472 CB HIS A 39 14.566 -16.934 5.300 1.00 0.00 C ATOM 473 CG HIS A 39 14.081 -17.461 6.615 1.00 0.00 C ATOM 474 ND1 HIS A 39 12.975 -16.955 7.266 1.00 0.00 N ATOM 475 CD2 HIS A 39 14.554 -18.457 7.401 1.00 0.00 C ATOM 476 CE1 HIS A 39 12.792 -17.614 8.397 1.00 0.00 C ATOM 477 NE2 HIS A 39 13.736 -18.531 8.501 1.00 0.00 N ATOM 0 H HIS A 39 13.836 -18.620 3.518 1.00 0.00 H new ATOM 0 HA HIS A 39 12.576 -16.299 4.795 1.00 0.00 H new ATOM 0 HB2 HIS A 39 15.289 -17.634 4.882 1.00 0.00 H new ATOM 0 HB3 HIS A 39 15.092 -15.994 5.467 1.00 0.00 H new ATOM 0 HD2 HIS A 39 15.415 -19.078 7.200 1.00 0.00 H new ATOM 0 HE1 HIS A 39 12.005 -17.433 9.114 1.00 0.00 H new ATOM 0 HE2 HIS A 39 13.841 -19.188 9.274 1.00 0.00 H new ATOM 486 N ALA A 40 13.010 -15.397 2.286 1.00 0.00 N ATOM 487 CA ALA A 40 13.312 -14.448 1.221 1.00 0.00 C ATOM 488 C ALA A 40 12.396 -13.232 1.297 1.00 0.00 C ATOM 489 O ALA A 40 11.180 -13.368 1.418 1.00 0.00 O ATOM 490 CB ALA A 40 13.186 -15.121 -0.136 1.00 0.00 C ATOM 0 H ALA A 40 12.073 -15.798 2.239 1.00 0.00 H new ATOM 0 HA ALA A 40 14.339 -14.107 1.351 1.00 0.00 H new ATOM 0 HB1 ALA A 40 13.414 -14.401 -0.922 1.00 0.00 H new ATOM 0 HB2 ALA A 40 13.885 -15.956 -0.195 1.00 0.00 H new ATOM 0 HB3 ALA A 40 12.169 -15.490 -0.266 1.00 0.00 H new ATOM 496 N ASP A 41 12.984 -12.044 1.223 1.00 0.00 N ATOM 497 CA ASP A 41 12.216 -10.806 1.283 1.00 0.00 C ATOM 498 C ASP A 41 11.194 -10.743 0.150 1.00 0.00 C ATOM 499 O ASP A 41 11.455 -11.208 -0.960 1.00 0.00 O ATOM 500 CB ASP A 41 13.149 -9.595 1.212 1.00 0.00 C ATOM 501 CG ASP A 41 14.197 -9.733 0.125 1.00 0.00 C ATOM 502 OD1 ASP A 41 13.815 -9.850 -1.058 1.00 0.00 O ATOM 503 OD2 ASP A 41 15.401 -9.724 0.458 1.00 0.00 O ATOM 0 H ASP A 41 13.990 -11.912 1.121 1.00 0.00 H new ATOM 0 HA ASP A 41 11.681 -10.787 2.233 1.00 0.00 H new ATOM 0 HB2 ASP A 41 12.559 -8.696 1.032 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.643 -9.464 2.175 1.00 0.00 H new ATOM 508 N LEU A 42 10.032 -10.165 0.439 1.00 0.00 N ATOM 509 CA LEU A 42 8.970 -10.043 -0.555 1.00 0.00 C ATOM 510 C LEU A 42 8.863 -8.607 -1.063 1.00 0.00 C ATOM 511 O LEU A 42 8.490 -8.368 -2.211 1.00 0.00 O ATOM 512 CB LEU A 42 7.632 -10.483 0.042 1.00 0.00 C ATOM 513 CG LEU A 42 7.679 -11.765 0.878 1.00 0.00 C ATOM 514 CD1 LEU A 42 6.291 -12.117 1.390 1.00 0.00 C ATOM 515 CD2 LEU A 42 8.258 -12.912 0.061 1.00 0.00 C ATOM 0 H LEU A 42 9.802 -9.774 1.352 1.00 0.00 H new ATOM 0 HA LEU A 42 9.217 -10.691 -1.396 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.248 -9.676 0.666 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.919 -10.624 -0.770 1.00 0.00 H new ATOM 0 HG LEU A 42 8.328 -11.595 1.737 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.343 -13.031 1.982 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.915 -11.303 2.010 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.619 -12.270 0.545 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.284 -13.816 0.670 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.635 -13.084 -0.817 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.270 -12.659 -0.256 1.00 0.00 H new ATOM 527 N GLY A 43 9.189 -7.657 -0.194 1.00 0.00 N ATOM 528 CA GLY A 43 9.121 -6.254 -0.557 1.00 0.00 C ATOM 529 C GLY A 43 8.776 -5.380 0.631 1.00 0.00 C ATOM 530 O GLY A 43 8.704 -5.869 1.756 1.00 0.00 O ATOM 0 H GLY A 43 9.501 -7.835 0.761 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.078 -5.940 -0.973 1.00 0.00 H new ATOM 0 HA3 GLY A 43 8.373 -6.117 -1.338 1.00 0.00 H new ATOM 534 N ILE A 44 8.566 -4.087 0.388 1.00 0.00 N ATOM 535 CA ILE A 44 8.233 -3.157 1.464 1.00 0.00 C ATOM 536 C ILE A 44 6.789 -2.676 1.368 1.00 0.00 C ATOM 537 O ILE A 44 6.234 -2.550 0.276 1.00 0.00 O ATOM 538 CB ILE A 44 9.173 -1.935 1.470 1.00 0.00 C ATOM 539 CG1 ILE A 44 9.412 -1.438 0.041 1.00 0.00 C ATOM 540 CG2 ILE A 44 10.493 -2.278 2.152 1.00 0.00 C ATOM 541 CD1 ILE A 44 10.578 -2.113 -0.649 1.00 0.00 C ATOM 0 H ILE A 44 8.620 -3.663 -0.538 1.00 0.00 H new ATOM 0 HA ILE A 44 8.361 -3.709 2.395 1.00 0.00 H new ATOM 0 HB ILE A 44 8.697 -1.134 2.036 1.00 0.00 H new ATOM 0 HG12 ILE A 44 8.509 -1.601 -0.547 1.00 0.00 H new ATOM 0 HG13 ILE A 44 9.588 -0.362 0.064 1.00 0.00 H new ATOM 0 HG21 ILE A 44 11.143 -1.403 2.147 1.00 0.00 H new ATOM 0 HG22 ILE A 44 10.303 -2.582 3.181 1.00 0.00 H new ATOM 0 HG23 ILE A 44 10.978 -3.094 1.616 1.00 0.00 H new ATOM 0 HD11 ILE A 44 10.687 -1.711 -1.656 1.00 0.00 H new ATOM 0 HD12 ILE A 44 11.492 -1.929 -0.084 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.396 -3.186 -0.704 1.00 0.00 H new ATOM 553 N PHE A 45 6.189 -2.409 2.525 1.00 0.00 N ATOM 554 CA PHE A 45 4.807 -1.940 2.592 1.00 0.00 C ATOM 555 C PHE A 45 4.686 -0.768 3.558 1.00 0.00 C ATOM 556 O PHE A 45 5.287 -0.775 4.634 1.00 0.00 O ATOM 557 CB PHE A 45 3.875 -3.075 3.035 1.00 0.00 C ATOM 558 CG PHE A 45 4.348 -4.443 2.629 1.00 0.00 C ATOM 559 CD1 PHE A 45 5.264 -5.131 3.409 1.00 0.00 C ATOM 560 CD2 PHE A 45 3.876 -5.041 1.472 1.00 0.00 C ATOM 561 CE1 PHE A 45 5.703 -6.390 3.040 1.00 0.00 C ATOM 562 CE2 PHE A 45 4.309 -6.299 1.099 1.00 0.00 C ATOM 563 CZ PHE A 45 5.224 -6.974 1.884 1.00 0.00 C ATOM 0 H PHE A 45 6.641 -2.510 3.434 1.00 0.00 H new ATOM 0 HA PHE A 45 4.513 -1.609 1.596 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.771 -3.044 4.120 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.884 -2.904 2.614 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.639 -4.679 4.315 1.00 0.00 H new ATOM 0 HD2 PHE A 45 3.161 -4.518 0.854 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.419 -6.915 3.655 1.00 0.00 H new ATOM 0 HE2 PHE A 45 3.933 -6.754 0.195 1.00 0.00 H new ATOM 0 HZ PHE A 45 5.564 -7.957 1.594 1.00 0.00 H new ATOM 573 N VAL A 46 3.907 0.236 3.169 1.00 0.00 N ATOM 574 CA VAL A 46 3.707 1.414 4.009 1.00 0.00 C ATOM 575 C VAL A 46 3.228 1.006 5.399 1.00 0.00 C ATOM 576 O VAL A 46 2.068 0.641 5.585 1.00 0.00 O ATOM 577 CB VAL A 46 2.686 2.384 3.381 1.00 0.00 C ATOM 578 CG1 VAL A 46 2.580 3.659 4.205 1.00 0.00 C ATOM 579 CG2 VAL A 46 3.070 2.704 1.943 1.00 0.00 C ATOM 0 H VAL A 46 3.405 0.259 2.281 1.00 0.00 H new ATOM 0 HA VAL A 46 4.667 1.923 4.091 1.00 0.00 H new ATOM 0 HB VAL A 46 1.710 1.900 3.376 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.855 4.330 3.745 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.256 3.413 5.216 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.553 4.149 4.245 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.339 3.390 1.515 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.056 3.167 1.924 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.090 1.784 1.359 1.00 0.00 H new ATOM 589 N LYS A 47 4.134 1.067 6.369 1.00 0.00 N ATOM 590 CA LYS A 47 3.813 0.702 7.744 1.00 0.00 C ATOM 591 C LYS A 47 2.943 1.765 8.397 1.00 0.00 C ATOM 592 O LYS A 47 1.977 1.453 9.093 1.00 0.00 O ATOM 593 CB LYS A 47 5.096 0.510 8.557 1.00 0.00 C ATOM 594 CG LYS A 47 4.850 0.147 10.012 1.00 0.00 C ATOM 595 CD LYS A 47 4.336 -1.277 10.155 1.00 0.00 C ATOM 596 CE LYS A 47 3.736 -1.520 11.531 1.00 0.00 C ATOM 597 NZ LYS A 47 4.500 -2.541 12.298 1.00 0.00 N ATOM 0 H LYS A 47 5.099 1.367 6.228 1.00 0.00 H new ATOM 0 HA LYS A 47 3.259 -0.237 7.724 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.696 -0.273 8.093 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.683 1.428 8.515 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.776 0.259 10.577 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.128 0.840 10.443 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.584 -1.472 9.390 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.153 -1.978 9.985 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.719 -0.584 12.090 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.701 -1.846 11.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.977 -2.789 13.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.626 -3.392 11.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.431 -2.157 12.555 1.00 0.00 H new ATOM 611 N SER A 48 3.293 3.023 8.168 1.00 0.00 N ATOM 612 CA SER A 48 2.542 4.136 8.734 1.00 0.00 C ATOM 613 C SER A 48 2.957 5.456 8.100 1.00 0.00 C ATOM 614 O SER A 48 4.136 5.812 8.093 1.00 0.00 O ATOM 615 CB SER A 48 2.743 4.196 10.250 1.00 0.00 C ATOM 616 OG SER A 48 1.738 3.463 10.928 1.00 0.00 O ATOM 0 H SER A 48 4.091 3.299 7.595 1.00 0.00 H new ATOM 0 HA SER A 48 1.486 3.972 8.521 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.724 3.796 10.506 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.726 5.234 10.581 1.00 0.00 H new ATOM 0 HG SER A 48 1.572 2.621 10.455 1.00 0.00 H new ATOM 622 N ILE A 49 1.978 6.177 7.567 1.00 0.00 N ATOM 623 CA ILE A 49 2.231 7.460 6.927 1.00 0.00 C ATOM 624 C ILE A 49 2.161 8.602 7.931 1.00 0.00 C ATOM 625 O ILE A 49 1.111 8.870 8.516 1.00 0.00 O ATOM 626 CB ILE A 49 1.226 7.722 5.792 1.00 0.00 C ATOM 627 CG1 ILE A 49 1.256 6.568 4.792 1.00 0.00 C ATOM 628 CG2 ILE A 49 1.525 9.045 5.100 1.00 0.00 C ATOM 629 CD1 ILE A 49 0.223 6.690 3.693 1.00 0.00 C ATOM 0 H ILE A 49 0.998 5.893 7.566 1.00 0.00 H new ATOM 0 HA ILE A 49 3.237 7.415 6.510 1.00 0.00 H new ATOM 0 HB ILE A 49 0.226 7.788 6.220 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.248 6.514 4.342 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.097 5.631 5.326 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.802 9.209 4.301 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.457 9.857 5.823 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.530 9.017 4.679 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.304 5.836 3.021 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.774 6.713 4.132 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.394 7.609 3.133 1.00 0.00 H new ATOM 641 N ILE A 50 3.287 9.277 8.117 1.00 0.00 N ATOM 642 CA ILE A 50 3.365 10.404 9.038 1.00 0.00 C ATOM 643 C ILE A 50 2.316 11.455 8.691 1.00 0.00 C ATOM 644 O ILE A 50 2.463 12.190 7.716 1.00 0.00 O ATOM 645 CB ILE A 50 4.773 11.050 9.014 1.00 0.00 C ATOM 646 CG1 ILE A 50 5.786 10.137 9.705 1.00 0.00 C ATOM 647 CG2 ILE A 50 4.763 12.425 9.678 1.00 0.00 C ATOM 648 CD1 ILE A 50 6.823 9.561 8.768 1.00 0.00 C ATOM 0 H ILE A 50 4.163 9.063 7.640 1.00 0.00 H new ATOM 0 HA ILE A 50 3.173 10.022 10.041 1.00 0.00 H new ATOM 0 HB ILE A 50 5.065 11.181 7.972 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.291 10.699 10.491 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.253 9.319 10.190 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.765 12.852 9.645 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.072 13.080 9.148 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.445 12.326 10.716 1.00 0.00 H new ATOM 0 HD11 ILE A 50 7.507 8.924 9.329 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.328 8.971 7.996 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.383 10.372 8.302 1.00 0.00 H new ATOM 660 N ASN A 51 1.259 11.519 9.495 1.00 0.00 N ATOM 661 CA ASN A 51 0.188 12.483 9.268 1.00 0.00 C ATOM 662 C ASN A 51 0.708 13.908 9.421 1.00 0.00 C ATOM 663 O ASN A 51 0.469 14.568 10.433 1.00 0.00 O ATOM 664 CB ASN A 51 -0.978 12.239 10.234 1.00 0.00 C ATOM 665 CG ASN A 51 -0.515 11.909 11.641 1.00 0.00 C ATOM 666 OD1 ASN A 51 -0.685 10.785 12.113 1.00 0.00 O ATOM 667 ND2 ASN A 51 0.071 12.888 12.318 1.00 0.00 N ATOM 0 H ASN A 51 1.121 10.917 10.307 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.175 12.351 8.249 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.612 13.125 10.263 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.592 11.421 9.857 1.00 0.00 H new ATOM 0 HD21 ASN A 51 0.401 12.724 13.269 1.00 0.00 H new ATOM 0 HD22 ASN A 51 0.191 13.805 11.887 1.00 0.00 H new ATOM 674 N GLY A 52 1.423 14.371 8.405 1.00 0.00 N ATOM 675 CA GLY A 52 1.983 15.706 8.427 1.00 0.00 C ATOM 676 C GLY A 52 3.142 15.849 7.461 1.00 0.00 C ATOM 677 O GLY A 52 3.417 16.943 6.968 1.00 0.00 O ATOM 0 H GLY A 52 1.626 13.839 7.559 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.208 16.429 8.173 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.321 15.941 9.436 1.00 0.00 H new ATOM 681 N GLY A 53 3.822 14.738 7.189 1.00 0.00 N ATOM 682 CA GLY A 53 4.946 14.764 6.277 1.00 0.00 C ATOM 683 C GLY A 53 4.530 15.032 4.843 1.00 0.00 C ATOM 684 O GLY A 53 3.380 15.378 4.574 1.00 0.00 O ATOM 0 H GLY A 53 3.612 13.822 7.585 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.650 15.532 6.596 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.471 13.810 6.327 1.00 0.00 H new ATOM 688 N ALA A 54 5.475 14.880 3.925 1.00 0.00 N ATOM 689 CA ALA A 54 5.225 15.112 2.507 1.00 0.00 C ATOM 690 C ALA A 54 4.280 14.073 1.913 1.00 0.00 C ATOM 691 O ALA A 54 3.439 14.396 1.073 1.00 0.00 O ATOM 692 CB ALA A 54 6.538 15.120 1.749 1.00 0.00 C ATOM 0 H ALA A 54 6.431 14.594 4.139 1.00 0.00 H new ATOM 0 HA ALA A 54 4.739 16.083 2.411 1.00 0.00 H new ATOM 0 HB1 ALA A 54 6.346 15.294 0.690 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.177 15.913 2.137 1.00 0.00 H new ATOM 0 HB3 ALA A 54 7.036 14.159 1.874 1.00 0.00 H new ATOM 698 N ALA A 55 4.431 12.826 2.338 1.00 0.00 N ATOM 699 CA ALA A 55 3.595 11.744 1.831 1.00 0.00 C ATOM 700 C ALA A 55 2.149 11.903 2.279 1.00 0.00 C ATOM 701 O ALA A 55 1.222 11.729 1.489 1.00 0.00 O ATOM 702 CB ALA A 55 4.148 10.399 2.271 1.00 0.00 C ATOM 0 H ALA A 55 5.122 12.538 3.031 1.00 0.00 H new ATOM 0 HA ALA A 55 3.610 11.789 0.742 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.514 9.601 1.885 1.00 0.00 H new ATOM 0 HB2 ALA A 55 5.160 10.277 1.884 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.168 10.352 3.360 1.00 0.00 H new ATOM 708 N SER A 56 1.961 12.241 3.547 1.00 0.00 N ATOM 709 CA SER A 56 0.624 12.432 4.089 1.00 0.00 C ATOM 710 C SER A 56 -0.031 13.649 3.450 1.00 0.00 C ATOM 711 O SER A 56 -1.244 13.688 3.249 1.00 0.00 O ATOM 712 CB SER A 56 0.687 12.612 5.606 1.00 0.00 C ATOM 713 OG SER A 56 1.563 13.669 5.954 1.00 0.00 O ATOM 0 H SER A 56 2.715 12.388 4.218 1.00 0.00 H new ATOM 0 HA SER A 56 0.028 11.548 3.864 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.311 12.819 5.993 1.00 0.00 H new ATOM 0 HB3 SER A 56 1.024 11.686 6.072 1.00 0.00 H new ATOM 0 HG SER A 56 2.400 13.298 6.304 1.00 0.00 H new ATOM 719 N LYS A 57 0.792 14.642 3.133 1.00 0.00 N ATOM 720 CA LYS A 57 0.317 15.870 2.515 1.00 0.00 C ATOM 721 C LYS A 57 -0.117 15.629 1.075 1.00 0.00 C ATOM 722 O LYS A 57 -1.054 16.259 0.582 1.00 0.00 O ATOM 723 CB LYS A 57 1.406 16.925 2.568 1.00 0.00 C ATOM 724 CG LYS A 57 1.519 17.559 3.935 1.00 0.00 C ATOM 725 CD LYS A 57 2.658 18.544 3.982 1.00 0.00 C ATOM 726 CE LYS A 57 2.187 19.934 3.599 1.00 0.00 C ATOM 727 NZ LYS A 57 3.184 20.979 3.957 1.00 0.00 N ATOM 0 H LYS A 57 1.799 14.618 3.296 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.552 16.222 3.071 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.361 16.473 2.299 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.198 17.697 1.827 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.586 18.065 4.183 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.672 16.785 4.687 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.086 18.564 4.984 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.449 18.224 3.304 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.995 19.969 2.527 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.243 20.147 4.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.823 21.914 3.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.349 20.964 4.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.078 20.791 3.460 1.00 0.00 H new ATOM 741 N ASP A 58 0.568 14.706 0.404 1.00 0.00 N ATOM 742 CA ASP A 58 0.253 14.373 -0.980 1.00 0.00 C ATOM 743 C ASP A 58 -1.194 13.908 -1.109 1.00 0.00 C ATOM 744 O ASP A 58 -1.817 14.067 -2.160 1.00 0.00 O ATOM 745 CB ASP A 58 1.199 13.284 -1.491 1.00 0.00 C ATOM 746 CG ASP A 58 1.518 13.443 -2.965 1.00 0.00 C ATOM 747 OD1 ASP A 58 1.690 14.595 -3.413 1.00 0.00 O ATOM 748 OD2 ASP A 58 1.596 12.415 -3.668 1.00 0.00 O ATOM 0 H ASP A 58 1.345 14.176 0.798 1.00 0.00 H new ATOM 0 HA ASP A 58 0.383 15.271 -1.585 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.125 13.311 -0.916 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.748 12.306 -1.323 1.00 0.00 H new ATOM 753 N GLY A 59 -1.723 13.336 -0.031 1.00 0.00 N ATOM 754 CA GLY A 59 -3.094 12.858 -0.041 1.00 0.00 C ATOM 755 C GLY A 59 -3.321 11.747 -1.047 1.00 0.00 C ATOM 756 O GLY A 59 -4.442 11.545 -1.513 1.00 0.00 O ATOM 0 H GLY A 59 -1.227 13.195 0.849 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.356 12.500 0.954 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.762 13.689 -0.267 1.00 0.00 H new ATOM 760 N ARG A 60 -2.258 11.023 -1.384 1.00 0.00 N ATOM 761 CA ARG A 60 -2.356 9.926 -2.340 1.00 0.00 C ATOM 762 C ARG A 60 -1.814 8.631 -1.744 1.00 0.00 C ATOM 763 O ARG A 60 -2.183 7.538 -2.171 1.00 0.00 O ATOM 764 CB ARG A 60 -1.589 10.269 -3.618 1.00 0.00 C ATOM 765 CG ARG A 60 -2.389 11.111 -4.597 1.00 0.00 C ATOM 766 CD ARG A 60 -1.477 11.904 -5.520 1.00 0.00 C ATOM 767 NE ARG A 60 -1.048 13.164 -4.917 1.00 0.00 N ATOM 768 CZ ARG A 60 -0.602 14.205 -5.614 1.00 0.00 C ATOM 769 NH1 ARG A 60 -0.519 14.143 -6.938 1.00 0.00 N ATOM 770 NH2 ARG A 60 -0.234 15.316 -4.987 1.00 0.00 N ATOM 0 H ARG A 60 -1.321 11.176 -1.010 1.00 0.00 H new ATOM 0 HA ARG A 60 -3.409 9.781 -2.580 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.677 10.803 -3.353 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -1.286 9.345 -4.109 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -3.037 10.465 -5.190 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -3.036 11.794 -4.047 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -0.601 11.304 -5.767 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -1.998 12.109 -6.456 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.093 13.250 -3.902 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.798 13.293 -7.427 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.176 14.946 -7.466 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -0.293 15.371 -3.970 1.00 0.00 H new ATOM 0 HH22 ARG A 60 0.108 16.114 -5.522 1.00 0.00 H new ATOM 784 N LEU A 61 -0.934 8.764 -0.759 1.00 0.00 N ATOM 785 CA LEU A 61 -0.335 7.607 -0.107 1.00 0.00 C ATOM 786 C LEU A 61 -1.343 6.880 0.773 1.00 0.00 C ATOM 787 O LEU A 61 -2.398 7.417 1.108 1.00 0.00 O ATOM 788 CB LEU A 61 0.870 8.041 0.728 1.00 0.00 C ATOM 789 CG LEU A 61 2.201 8.006 -0.015 1.00 0.00 C ATOM 790 CD1 LEU A 61 2.671 9.416 -0.346 1.00 0.00 C ATOM 791 CD2 LEU A 61 3.254 7.262 0.795 1.00 0.00 C ATOM 0 H LEU A 61 -0.619 9.663 -0.394 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.008 6.917 -0.884 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.698 9.054 1.091 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.940 7.396 1.604 1.00 0.00 H new ATOM 0 HG LEU A 61 2.052 7.468 -0.951 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.622 9.367 -0.876 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.930 9.908 -0.976 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.798 9.983 0.576 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.195 7.250 0.245 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.399 7.764 1.751 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.923 6.238 0.969 1.00 0.00 H new ATOM 803 N ARG A 62 -1.003 5.650 1.143 1.00 0.00 N ATOM 804 CA ARG A 62 -1.863 4.833 1.986 1.00 0.00 C ATOM 805 C ARG A 62 -1.066 3.710 2.642 1.00 0.00 C ATOM 806 O ARG A 62 -0.207 3.093 2.010 1.00 0.00 O ATOM 807 CB ARG A 62 -3.016 4.257 1.174 1.00 0.00 C ATOM 808 CG ARG A 62 -2.565 3.278 0.117 1.00 0.00 C ATOM 809 CD ARG A 62 -1.891 3.992 -1.040 1.00 0.00 C ATOM 810 NE ARG A 62 -2.704 5.089 -1.556 1.00 0.00 N ATOM 811 CZ ARG A 62 -3.730 4.926 -2.387 1.00 0.00 C ATOM 812 NH1 ARG A 62 -4.074 3.711 -2.796 1.00 0.00 N ATOM 813 NH2 ARG A 62 -4.413 5.980 -2.810 1.00 0.00 N ATOM 0 H ARG A 62 -0.132 5.196 0.869 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.273 5.469 2.771 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.714 3.759 1.847 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -3.560 5.073 0.697 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -1.874 2.558 0.556 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.423 2.714 -0.250 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -0.926 4.379 -0.714 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -1.695 3.279 -1.841 1.00 0.00 H new ATOM 0 HE ARG A 62 -2.471 6.038 -1.262 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -3.551 2.897 -2.473 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -4.861 3.591 -3.433 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -4.152 6.915 -2.498 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -5.200 5.856 -3.447 1.00 0.00 H new ATOM 827 N VAL A 63 -1.348 3.456 3.915 1.00 0.00 N ATOM 828 CA VAL A 63 -0.653 2.415 4.662 1.00 0.00 C ATOM 829 C VAL A 63 -1.050 1.020 4.184 1.00 0.00 C ATOM 830 O VAL A 63 -2.202 0.788 3.817 1.00 0.00 O ATOM 831 CB VAL A 63 -0.939 2.534 6.172 1.00 0.00 C ATOM 832 CG1 VAL A 63 -0.105 1.534 6.958 1.00 0.00 C ATOM 833 CG2 VAL A 63 -0.669 3.952 6.652 1.00 0.00 C ATOM 0 H VAL A 63 -2.055 3.958 4.452 1.00 0.00 H new ATOM 0 HA VAL A 63 0.413 2.556 4.484 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.991 2.306 6.342 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.322 1.635 8.021 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.348 0.522 6.633 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.954 1.727 6.784 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.876 4.020 7.720 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.375 4.206 6.467 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.313 4.647 6.113 1.00 0.00 H new ATOM 843 N ASN A 64 -0.083 0.096 4.199 1.00 0.00 N ATOM 844 CA ASN A 64 -0.302 -1.292 3.777 1.00 0.00 C ATOM 845 C ASN A 64 -0.062 -1.470 2.278 1.00 0.00 C ATOM 846 O ASN A 64 -0.149 -2.583 1.760 1.00 0.00 O ATOM 847 CB ASN A 64 -1.711 -1.777 4.141 1.00 0.00 C ATOM 848 CG ASN A 64 -2.111 -1.389 5.552 1.00 0.00 C ATOM 849 OD1 ASN A 64 -1.417 -1.708 6.516 1.00 0.00 O ATOM 850 ND2 ASN A 64 -3.238 -0.696 5.679 1.00 0.00 N ATOM 0 H ASN A 64 0.871 0.289 4.503 1.00 0.00 H new ATOM 0 HA ASN A 64 0.423 -1.900 4.317 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.429 -1.360 3.435 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.757 -2.861 4.039 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -3.558 -0.407 6.604 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -3.783 -0.453 4.852 1.00 0.00 H new ATOM 857 N ASP A 65 0.246 -0.378 1.585 1.00 0.00 N ATOM 858 CA ASP A 65 0.503 -0.439 0.154 1.00 0.00 C ATOM 859 C ASP A 65 1.936 -0.883 -0.115 1.00 0.00 C ATOM 860 O ASP A 65 2.879 -0.383 0.497 1.00 0.00 O ATOM 861 CB ASP A 65 0.239 0.920 -0.495 1.00 0.00 C ATOM 862 CG ASP A 65 -1.085 0.954 -1.229 1.00 0.00 C ATOM 863 OD1 ASP A 65 -2.124 0.687 -0.590 1.00 0.00 O ATOM 864 OD2 ASP A 65 -1.082 1.244 -2.444 1.00 0.00 O ATOM 0 H ASP A 65 0.323 0.555 1.991 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.174 -1.172 -0.284 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.248 1.695 0.271 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.045 1.151 -1.191 1.00 0.00 H new ATOM 869 N GLN A 66 2.091 -1.831 -1.032 1.00 0.00 N ATOM 870 CA GLN A 66 3.406 -2.350 -1.383 1.00 0.00 C ATOM 871 C GLN A 66 4.093 -1.438 -2.395 1.00 0.00 C ATOM 872 O GLN A 66 3.462 -0.943 -3.327 1.00 0.00 O ATOM 873 CB GLN A 66 3.274 -3.768 -1.944 1.00 0.00 C ATOM 874 CG GLN A 66 4.512 -4.268 -2.675 1.00 0.00 C ATOM 875 CD GLN A 66 4.936 -5.650 -2.225 1.00 0.00 C ATOM 876 OE1 GLN A 66 6.143 -5.748 -1.684 1.00 0.00 O flip ATOM 877 NE2 GLN A 66 4.187 -6.618 -2.361 1.00 0.00 N flip ATOM 0 H GLN A 66 1.320 -2.256 -1.547 1.00 0.00 H new ATOM 0 HA GLN A 66 4.020 -2.382 -0.483 1.00 0.00 H new ATOM 0 HB2 GLN A 66 3.049 -4.451 -1.125 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.425 -3.799 -2.627 1.00 0.00 H new ATOM 0 HG2 GLN A 66 4.315 -4.284 -3.747 1.00 0.00 H new ATOM 0 HG3 GLN A 66 5.333 -3.569 -2.512 1.00 0.00 H new ATOM 0 HE21 GLN A 66 3.266 -6.495 -2.783 1.00 0.00 H new ATOM 0 HE22 GLN A 66 4.487 -7.542 -2.052 1.00 0.00 H new ATOM 886 N LEU A 67 5.391 -1.223 -2.206 1.00 0.00 N ATOM 887 CA LEU A 67 6.158 -0.371 -3.105 1.00 0.00 C ATOM 888 C LEU A 67 6.728 -1.180 -4.264 1.00 0.00 C ATOM 889 O LEU A 67 7.311 -2.246 -4.066 1.00 0.00 O ATOM 890 CB LEU A 67 7.284 0.330 -2.345 1.00 0.00 C ATOM 891 CG LEU A 67 6.828 1.158 -1.142 1.00 0.00 C ATOM 892 CD1 LEU A 67 8.008 1.499 -0.247 1.00 0.00 C ATOM 893 CD2 LEU A 67 6.121 2.424 -1.603 1.00 0.00 C ATOM 0 H LEU A 67 5.932 -1.626 -1.441 1.00 0.00 H new ATOM 0 HA LEU A 67 5.486 0.385 -3.512 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.995 -0.422 -2.002 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.818 0.982 -3.036 1.00 0.00 H new ATOM 0 HG LEU A 67 6.123 0.562 -0.563 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.662 2.088 0.602 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.469 0.579 0.113 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.740 2.075 -0.814 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.804 3.000 -0.734 1.00 0.00 H new ATOM 0 HD22 LEU A 67 6.803 3.023 -2.206 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.249 2.157 -2.200 1.00 0.00 H new ATOM 905 N ILE A 68 6.545 -0.668 -5.476 1.00 0.00 N ATOM 906 CA ILE A 68 7.031 -1.340 -6.675 1.00 0.00 C ATOM 907 C ILE A 68 8.143 -0.545 -7.348 1.00 0.00 C ATOM 908 O ILE A 68 9.044 -1.123 -7.959 1.00 0.00 O ATOM 909 CB ILE A 68 5.894 -1.566 -7.691 1.00 0.00 C ATOM 910 CG1 ILE A 68 4.654 -2.123 -6.990 1.00 0.00 C ATOM 911 CG2 ILE A 68 6.352 -2.504 -8.799 1.00 0.00 C ATOM 912 CD1 ILE A 68 4.870 -3.486 -6.370 1.00 0.00 C ATOM 0 H ILE A 68 6.062 0.213 -5.654 1.00 0.00 H new ATOM 0 HA ILE A 68 7.425 -2.304 -6.354 1.00 0.00 H new ATOM 0 HB ILE A 68 5.632 -0.607 -8.139 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.342 -1.425 -6.213 1.00 0.00 H new ATOM 0 HG13 ILE A 68 3.837 -2.186 -7.709 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.538 -2.654 -9.508 1.00 0.00 H new ATOM 0 HG22 ILE A 68 7.207 -2.068 -9.315 1.00 0.00 H new ATOM 0 HG23 ILE A 68 6.639 -3.463 -8.368 1.00 0.00 H new ATOM 0 HD11 ILE A 68 3.949 -3.818 -5.891 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.152 -4.198 -7.146 1.00 0.00 H new ATOM 0 HD13 ILE A 68 5.664 -3.426 -5.626 1.00 0.00 H new ATOM 924 N ALA A 69 8.077 0.779 -7.245 1.00 0.00 N ATOM 925 CA ALA A 69 9.085 1.634 -7.857 1.00 0.00 C ATOM 926 C ALA A 69 9.151 2.998 -7.178 1.00 0.00 C ATOM 927 O ALA A 69 8.306 3.332 -6.348 1.00 0.00 O ATOM 928 CB ALA A 69 8.801 1.797 -9.343 1.00 0.00 C ATOM 0 H ALA A 69 7.341 1.279 -6.747 1.00 0.00 H new ATOM 0 HA ALA A 69 10.055 1.153 -7.728 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.561 2.438 -9.790 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.820 0.820 -9.826 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.819 2.250 -9.478 1.00 0.00 H new ATOM 934 N VAL A 70 10.162 3.778 -7.539 1.00 0.00 N ATOM 935 CA VAL A 70 10.350 5.106 -6.974 1.00 0.00 C ATOM 936 C VAL A 70 11.204 5.970 -7.896 1.00 0.00 C ATOM 937 O VAL A 70 12.294 5.567 -8.304 1.00 0.00 O ATOM 938 CB VAL A 70 11.015 5.035 -5.584 1.00 0.00 C ATOM 939 CG1 VAL A 70 12.365 4.341 -5.673 1.00 0.00 C ATOM 940 CG2 VAL A 70 11.159 6.427 -4.983 1.00 0.00 C ATOM 0 H VAL A 70 10.868 3.511 -8.225 1.00 0.00 H new ATOM 0 HA VAL A 70 9.362 5.555 -6.869 1.00 0.00 H new ATOM 0 HB VAL A 70 10.373 4.449 -4.926 1.00 0.00 H new ATOM 0 HG11 VAL A 70 12.819 4.300 -4.683 1.00 0.00 H new ATOM 0 HG12 VAL A 70 12.229 3.328 -6.052 1.00 0.00 H new ATOM 0 HG13 VAL A 70 13.016 4.897 -6.348 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.630 6.353 -4.003 1.00 0.00 H new ATOM 0 HG22 VAL A 70 11.776 7.044 -5.637 1.00 0.00 H new ATOM 0 HG23 VAL A 70 10.174 6.882 -4.879 1.00 0.00 H new ATOM 950 N ASN A 71 10.702 7.154 -8.231 1.00 0.00 N ATOM 951 CA ASN A 71 11.422 8.065 -9.113 1.00 0.00 C ATOM 952 C ASN A 71 11.662 7.419 -10.475 1.00 0.00 C ATOM 953 O ASN A 71 12.581 7.800 -11.200 1.00 0.00 O ATOM 954 CB ASN A 71 12.760 8.464 -8.487 1.00 0.00 C ATOM 955 CG ASN A 71 12.630 9.639 -7.538 1.00 0.00 C ATOM 956 OD1 ASN A 71 12.833 9.383 -6.249 1.00 0.00 O flip ATOM 957 ND2 ASN A 71 12.355 10.763 -7.955 1.00 0.00 N flip ATOM 0 H ASN A 71 9.801 7.505 -7.906 1.00 0.00 H new ATOM 0 HA ASN A 71 10.812 8.958 -9.251 1.00 0.00 H new ATOM 0 HB2 ASN A 71 13.175 7.611 -7.949 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.466 8.716 -9.278 1.00 0.00 H new ATOM 0 HD21 ASN A 71 12.207 10.915 -8.953 1.00 0.00 H new ATOM 0 HD22 ASN A 71 12.275 11.543 -7.303 1.00 0.00 H new ATOM 964 N GLY A 72 10.837 6.432 -10.810 1.00 0.00 N ATOM 965 CA GLY A 72 10.982 5.742 -12.078 1.00 0.00 C ATOM 966 C GLY A 72 11.941 4.571 -11.981 1.00 0.00 C ATOM 967 O GLY A 72 12.550 4.173 -12.973 1.00 0.00 O ATOM 0 H GLY A 72 10.071 6.098 -10.226 1.00 0.00 H new ATOM 0 HA2 GLY A 72 10.007 5.386 -12.410 1.00 0.00 H new ATOM 0 HA3 GLY A 72 11.340 6.442 -12.833 1.00 0.00 H new ATOM 971 N GLU A 73 12.079 4.025 -10.776 1.00 0.00 N ATOM 972 CA GLU A 73 12.974 2.896 -10.543 1.00 0.00 C ATOM 973 C GLU A 73 12.260 1.787 -9.780 1.00 0.00 C ATOM 974 O GLU A 73 11.973 1.924 -8.590 1.00 0.00 O ATOM 975 CB GLU A 73 14.212 3.353 -9.766 1.00 0.00 C ATOM 976 CG GLU A 73 14.625 4.790 -10.055 1.00 0.00 C ATOM 977 CD GLU A 73 16.124 4.946 -10.210 1.00 0.00 C ATOM 978 OE1 GLU A 73 16.870 4.099 -9.672 1.00 0.00 O ATOM 979 OE2 GLU A 73 16.555 5.915 -10.869 1.00 0.00 O ATOM 0 H GLU A 73 11.582 4.347 -9.945 1.00 0.00 H new ATOM 0 HA GLU A 73 13.286 2.503 -11.511 1.00 0.00 H new ATOM 0 HB2 GLU A 73 14.018 3.249 -8.698 1.00 0.00 H new ATOM 0 HB3 GLU A 73 15.044 2.691 -10.005 1.00 0.00 H new ATOM 0 HG2 GLU A 73 14.132 5.129 -10.966 1.00 0.00 H new ATOM 0 HG3 GLU A 73 14.278 5.433 -9.246 1.00 0.00 H new ATOM 986 N SER A 74 11.971 0.689 -10.471 1.00 0.00 N ATOM 987 CA SER A 74 11.288 -0.444 -9.857 1.00 0.00 C ATOM 988 C SER A 74 12.205 -1.175 -8.883 1.00 0.00 C ATOM 989 O SER A 74 13.386 -1.385 -9.163 1.00 0.00 O ATOM 990 CB SER A 74 10.792 -1.413 -10.934 1.00 0.00 C ATOM 991 OG SER A 74 10.053 -2.477 -10.361 1.00 0.00 O ATOM 0 H SER A 74 12.199 0.560 -11.457 1.00 0.00 H new ATOM 0 HA SER A 74 10.433 -0.060 -9.301 1.00 0.00 H new ATOM 0 HB2 SER A 74 10.169 -0.878 -11.650 1.00 0.00 H new ATOM 0 HB3 SER A 74 11.642 -1.813 -11.487 1.00 0.00 H new ATOM 0 HG SER A 74 9.629 -2.172 -9.532 1.00 0.00 H new ATOM 997 N LEU A 75 11.653 -1.563 -7.736 1.00 0.00 N ATOM 998 CA LEU A 75 12.422 -2.274 -6.719 1.00 0.00 C ATOM 999 C LEU A 75 12.182 -3.780 -6.799 1.00 0.00 C ATOM 1000 O LEU A 75 12.913 -4.564 -6.192 1.00 0.00 O ATOM 1001 CB LEU A 75 12.066 -1.766 -5.317 1.00 0.00 C ATOM 1002 CG LEU A 75 11.563 -0.319 -5.248 1.00 0.00 C ATOM 1003 CD1 LEU A 75 10.059 -0.288 -5.025 1.00 0.00 C ATOM 1004 CD2 LEU A 75 12.283 0.450 -4.146 1.00 0.00 C ATOM 0 H LEU A 75 10.678 -1.397 -7.488 1.00 0.00 H new ATOM 0 HA LEU A 75 13.478 -2.081 -6.910 1.00 0.00 H new ATOM 0 HB2 LEU A 75 11.301 -2.419 -4.896 1.00 0.00 H new ATOM 0 HB3 LEU A 75 12.947 -1.857 -4.682 1.00 0.00 H new ATOM 0 HG LEU A 75 11.781 0.165 -6.200 1.00 0.00 H new ATOM 0 HD11 LEU A 75 9.719 0.747 -4.979 1.00 0.00 H new ATOM 0 HD12 LEU A 75 9.559 -0.798 -5.848 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.820 -0.791 -4.088 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.911 1.474 -4.114 1.00 0.00 H new ATOM 0 HD22 LEU A 75 12.099 -0.033 -3.186 1.00 0.00 H new ATOM 0 HD23 LEU A 75 13.354 0.459 -4.349 1.00 0.00 H new ATOM 1016 N LEU A 76 11.155 -4.183 -7.545 1.00 0.00 N ATOM 1017 CA LEU A 76 10.828 -5.598 -7.694 1.00 0.00 C ATOM 1018 C LEU A 76 12.047 -6.398 -8.143 1.00 0.00 C ATOM 1019 O LEU A 76 12.341 -6.487 -9.335 1.00 0.00 O ATOM 1020 CB LEU A 76 9.682 -5.775 -8.695 1.00 0.00 C ATOM 1021 CG LEU A 76 8.522 -6.644 -8.200 1.00 0.00 C ATOM 1022 CD1 LEU A 76 7.252 -5.816 -8.069 1.00 0.00 C ATOM 1023 CD2 LEU A 76 8.297 -7.822 -9.136 1.00 0.00 C ATOM 0 H LEU A 76 10.537 -3.551 -8.054 1.00 0.00 H new ATOM 0 HA LEU A 76 10.512 -5.977 -6.722 1.00 0.00 H new ATOM 0 HB2 LEU A 76 9.293 -4.791 -8.958 1.00 0.00 H new ATOM 0 HB3 LEU A 76 10.082 -6.214 -9.609 1.00 0.00 H new ATOM 0 HG LEU A 76 8.782 -7.033 -7.216 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.439 -6.450 -7.716 1.00 0.00 H new ATOM 0 HD12 LEU A 76 7.417 -5.007 -7.357 1.00 0.00 H new ATOM 0 HD13 LEU A 76 6.990 -5.396 -9.040 1.00 0.00 H new ATOM 0 HD21 LEU A 76 7.469 -8.427 -8.767 1.00 0.00 H new ATOM 0 HD22 LEU A 76 8.061 -7.454 -10.134 1.00 0.00 H new ATOM 0 HD23 LEU A 76 9.200 -8.431 -9.178 1.00 0.00 H new ATOM 1035 N GLY A 77 12.754 -6.973 -7.177 1.00 0.00 N ATOM 1036 CA GLY A 77 13.935 -7.758 -7.484 1.00 0.00 C ATOM 1037 C GLY A 77 15.006 -7.620 -6.421 1.00 0.00 C ATOM 1038 O GLY A 77 15.770 -8.552 -6.173 1.00 0.00 O ATOM 0 H GLY A 77 12.530 -6.909 -6.184 1.00 0.00 H new ATOM 0 HA2 GLY A 77 13.656 -8.807 -7.583 1.00 0.00 H new ATOM 0 HA3 GLY A 77 14.338 -7.443 -8.447 1.00 0.00 H new ATOM 1042 N LYS A 78 15.056 -6.452 -5.788 1.00 0.00 N ATOM 1043 CA LYS A 78 16.035 -6.188 -4.741 1.00 0.00 C ATOM 1044 C LYS A 78 15.429 -6.402 -3.367 1.00 0.00 C ATOM 1045 O LYS A 78 14.212 -6.335 -3.188 1.00 0.00 O ATOM 1046 CB LYS A 78 16.574 -4.761 -4.859 1.00 0.00 C ATOM 1047 CG LYS A 78 15.512 -3.689 -4.666 1.00 0.00 C ATOM 1048 CD LYS A 78 16.127 -2.301 -4.546 1.00 0.00 C ATOM 1049 CE LYS A 78 17.079 -2.005 -5.697 1.00 0.00 C ATOM 1050 NZ LYS A 78 18.496 -1.941 -5.242 1.00 0.00 N ATOM 0 H LYS A 78 14.428 -5.672 -5.983 1.00 0.00 H new ATOM 0 HA LYS A 78 16.860 -6.889 -4.868 1.00 0.00 H new ATOM 0 HB2 LYS A 78 17.362 -4.617 -4.119 1.00 0.00 H new ATOM 0 HB3 LYS A 78 17.031 -4.635 -5.840 1.00 0.00 H new ATOM 0 HG2 LYS A 78 14.819 -3.708 -5.507 1.00 0.00 H new ATOM 0 HG3 LYS A 78 14.932 -3.909 -3.770 1.00 0.00 H new ATOM 0 HD2 LYS A 78 15.335 -1.552 -4.527 1.00 0.00 H new ATOM 0 HD3 LYS A 78 16.663 -2.221 -3.600 1.00 0.00 H new ATOM 0 HE2 LYS A 78 16.977 -2.776 -6.460 1.00 0.00 H new ATOM 0 HE3 LYS A 78 16.804 -1.058 -6.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 19.037 -1.322 -5.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 18.533 -1.561 -4.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 18.908 -2.896 -5.255 1.00 0.00 H new ATOM 1064 N ALA A 79 16.295 -6.659 -2.401 1.00 0.00 N ATOM 1065 CA ALA A 79 15.874 -6.889 -1.029 1.00 0.00 C ATOM 1066 C ALA A 79 14.993 -5.756 -0.523 1.00 0.00 C ATOM 1067 O ALA A 79 15.263 -4.585 -0.788 1.00 0.00 O ATOM 1068 CB ALA A 79 17.097 -7.035 -0.143 1.00 0.00 C ATOM 0 H ALA A 79 17.303 -6.714 -2.544 1.00 0.00 H new ATOM 0 HA ALA A 79 15.286 -7.806 -0.998 1.00 0.00 H new ATOM 0 HB1 ALA A 79 16.782 -7.208 0.886 1.00 0.00 H new ATOM 0 HB2 ALA A 79 17.696 -7.879 -0.486 1.00 0.00 H new ATOM 0 HB3 ALA A 79 17.693 -6.124 -0.192 1.00 0.00 H new ATOM 1074 N ASN A 80 13.944 -6.104 0.219 1.00 0.00 N ATOM 1075 CA ASN A 80 13.044 -5.098 0.769 1.00 0.00 C ATOM 1076 C ASN A 80 13.848 -4.021 1.494 1.00 0.00 C ATOM 1077 O ASN A 80 13.436 -2.864 1.574 1.00 0.00 O ATOM 1078 CB ASN A 80 12.036 -5.740 1.724 1.00 0.00 C ATOM 1079 CG ASN A 80 12.698 -6.391 2.922 1.00 0.00 C ATOM 1080 OD1 ASN A 80 13.539 -5.787 3.588 1.00 0.00 O ATOM 1081 ND2 ASN A 80 12.319 -7.633 3.206 1.00 0.00 N ATOM 0 H ASN A 80 13.699 -7.067 0.451 1.00 0.00 H new ATOM 0 HA ASN A 80 12.493 -4.638 -0.051 1.00 0.00 H new ATOM 0 HB2 ASN A 80 11.335 -4.981 2.070 1.00 0.00 H new ATOM 0 HB3 ASN A 80 11.455 -6.488 1.184 1.00 0.00 H new ATOM 0 HD21 ASN A 80 12.729 -8.122 4.002 1.00 0.00 H new ATOM 0 HD22 ASN A 80 11.619 -8.097 2.628 1.00 0.00 H new ATOM 1088 N GLN A 81 15.010 -4.421 2.004 1.00 0.00 N ATOM 1089 CA GLN A 81 15.905 -3.513 2.705 1.00 0.00 C ATOM 1090 C GLN A 81 16.602 -2.591 1.706 1.00 0.00 C ATOM 1091 O GLN A 81 16.743 -1.387 1.936 1.00 0.00 O ATOM 1092 CB GLN A 81 16.935 -4.327 3.504 1.00 0.00 C ATOM 1093 CG GLN A 81 18.173 -3.548 3.924 1.00 0.00 C ATOM 1094 CD GLN A 81 19.459 -4.172 3.414 1.00 0.00 C ATOM 1095 OE1 GLN A 81 19.451 -4.604 2.159 1.00 0.00 O flip ATOM 1096 NE2 GLN A 81 20.449 -4.263 4.141 1.00 0.00 N flip ATOM 0 H GLN A 81 15.354 -5.379 1.942 1.00 0.00 H new ATOM 0 HA GLN A 81 15.331 -2.896 3.396 1.00 0.00 H new ATOM 0 HB2 GLN A 81 16.451 -4.723 4.397 1.00 0.00 H new ATOM 0 HB3 GLN A 81 17.247 -5.182 2.904 1.00 0.00 H new ATOM 0 HG2 GLN A 81 18.098 -2.526 3.552 1.00 0.00 H new ATOM 0 HG3 GLN A 81 18.209 -3.490 5.012 1.00 0.00 H new ATOM 0 HE21 GLN A 81 20.411 -3.918 5.100 1.00 0.00 H new ATOM 0 HE22 GLN A 81 21.307 -4.684 3.784 1.00 0.00 H new ATOM 1105 N GLU A 82 17.025 -3.170 0.591 1.00 0.00 N ATOM 1106 CA GLU A 82 17.695 -2.414 -0.456 1.00 0.00 C ATOM 1107 C GLU A 82 16.703 -1.492 -1.142 1.00 0.00 C ATOM 1108 O GLU A 82 17.053 -0.396 -1.581 1.00 0.00 O ATOM 1109 CB GLU A 82 18.334 -3.364 -1.474 1.00 0.00 C ATOM 1110 CG GLU A 82 19.845 -3.223 -1.573 1.00 0.00 C ATOM 1111 CD GLU A 82 20.273 -1.844 -2.033 1.00 0.00 C ATOM 1112 OE1 GLU A 82 19.496 -1.193 -2.764 1.00 0.00 O ATOM 1113 OE2 GLU A 82 21.386 -1.413 -1.664 1.00 0.00 O ATOM 0 H GLU A 82 16.915 -4.164 0.389 1.00 0.00 H new ATOM 0 HA GLU A 82 18.484 -1.811 -0.007 1.00 0.00 H new ATOM 0 HB2 GLU A 82 18.090 -4.391 -1.203 1.00 0.00 H new ATOM 0 HB3 GLU A 82 17.895 -3.181 -2.455 1.00 0.00 H new ATOM 0 HG2 GLU A 82 20.290 -3.432 -0.600 1.00 0.00 H new ATOM 0 HG3 GLU A 82 20.231 -3.970 -2.267 1.00 0.00 H new ATOM 1120 N ALA A 83 15.459 -1.946 -1.227 1.00 0.00 N ATOM 1121 CA ALA A 83 14.409 -1.163 -1.851 1.00 0.00 C ATOM 1122 C ALA A 83 14.077 0.055 -1.002 1.00 0.00 C ATOM 1123 O ALA A 83 13.965 1.168 -1.515 1.00 0.00 O ATOM 1124 CB ALA A 83 13.171 -2.016 -2.083 1.00 0.00 C ATOM 0 H ALA A 83 15.156 -2.853 -0.871 1.00 0.00 H new ATOM 0 HA ALA A 83 14.767 -0.815 -2.820 1.00 0.00 H new ATOM 0 HB1 ALA A 83 12.395 -1.411 -2.552 1.00 0.00 H new ATOM 0 HB2 ALA A 83 13.422 -2.852 -2.735 1.00 0.00 H new ATOM 0 HB3 ALA A 83 12.807 -2.397 -1.129 1.00 0.00 H new ATOM 1130 N MET A 84 13.941 -0.158 0.304 1.00 0.00 N ATOM 1131 CA MET A 84 13.646 0.938 1.218 1.00 0.00 C ATOM 1132 C MET A 84 14.794 1.936 1.214 1.00 0.00 C ATOM 1133 O MET A 84 14.591 3.134 1.404 1.00 0.00 O ATOM 1134 CB MET A 84 13.396 0.425 2.637 1.00 0.00 C ATOM 1135 CG MET A 84 14.513 -0.446 3.185 1.00 0.00 C ATOM 1136 SD MET A 84 14.170 -1.033 4.857 1.00 0.00 S ATOM 1137 CE MET A 84 12.418 -1.384 4.737 1.00 0.00 C ATOM 0 H MET A 84 14.030 -1.072 0.749 1.00 0.00 H new ATOM 0 HA MET A 84 12.737 1.432 0.877 1.00 0.00 H new ATOM 0 HB2 MET A 84 13.255 1.278 3.301 1.00 0.00 H new ATOM 0 HB3 MET A 84 12.467 -0.144 2.648 1.00 0.00 H new ATOM 0 HG2 MET A 84 14.660 -1.301 2.526 1.00 0.00 H new ATOM 0 HG3 MET A 84 15.445 0.120 3.185 1.00 0.00 H new ATOM 0 HE1 MET A 84 12.063 -1.790 5.684 1.00 0.00 H new ATOM 0 HE2 MET A 84 11.877 -0.465 4.511 1.00 0.00 H new ATOM 0 HE3 MET A 84 12.246 -2.111 3.943 1.00 0.00 H new ATOM 1147 N GLU A 85 16.000 1.432 0.967 1.00 0.00 N ATOM 1148 CA GLU A 85 17.183 2.279 0.901 1.00 0.00 C ATOM 1149 C GLU A 85 17.223 2.981 -0.450 1.00 0.00 C ATOM 1150 O GLU A 85 17.677 4.121 -0.563 1.00 0.00 O ATOM 1151 CB GLU A 85 18.449 1.441 1.105 1.00 0.00 C ATOM 1152 CG GLU A 85 19.743 2.197 0.837 1.00 0.00 C ATOM 1153 CD GLU A 85 20.263 2.915 2.067 1.00 0.00 C ATOM 1154 OE1 GLU A 85 19.725 3.992 2.398 1.00 0.00 O ATOM 1155 OE2 GLU A 85 21.209 2.399 2.700 1.00 0.00 O ATOM 0 H GLU A 85 16.182 0.441 0.809 1.00 0.00 H new ATOM 0 HA GLU A 85 17.138 3.026 1.694 1.00 0.00 H new ATOM 0 HB2 GLU A 85 18.464 1.068 2.129 1.00 0.00 H new ATOM 0 HB3 GLU A 85 18.406 0.571 0.449 1.00 0.00 H new ATOM 0 HG2 GLU A 85 20.500 1.499 0.481 1.00 0.00 H new ATOM 0 HG3 GLU A 85 19.578 2.922 0.040 1.00 0.00 H new ATOM 1162 N THR A 86 16.733 2.285 -1.470 1.00 0.00 N ATOM 1163 CA THR A 86 16.693 2.820 -2.823 1.00 0.00 C ATOM 1164 C THR A 86 15.692 3.968 -2.910 1.00 0.00 C ATOM 1165 O THR A 86 15.916 4.946 -3.620 1.00 0.00 O ATOM 1166 CB THR A 86 16.328 1.707 -3.811 1.00 0.00 C ATOM 1167 OG1 THR A 86 17.442 0.867 -4.052 1.00 0.00 O ATOM 1168 CG2 THR A 86 15.840 2.214 -5.151 1.00 0.00 C ATOM 0 H THR A 86 16.355 1.342 -1.382 1.00 0.00 H new ATOM 0 HA THR A 86 17.678 3.208 -3.082 1.00 0.00 H new ATOM 0 HB THR A 86 15.512 1.164 -3.334 1.00 0.00 H new ATOM 0 HG1 THR A 86 17.566 0.262 -3.291 1.00 0.00 H new ATOM 0 HG21 THR A 86 15.602 1.368 -5.795 1.00 0.00 H new ATOM 0 HG22 THR A 86 14.948 2.823 -5.007 1.00 0.00 H new ATOM 0 HG23 THR A 86 16.619 2.817 -5.618 1.00 0.00 H new ATOM 1176 N LEU A 87 14.596 3.855 -2.170 1.00 0.00 N ATOM 1177 CA LEU A 87 13.587 4.903 -2.156 1.00 0.00 C ATOM 1178 C LEU A 87 14.059 6.041 -1.265 1.00 0.00 C ATOM 1179 O LEU A 87 13.788 7.213 -1.524 1.00 0.00 O ATOM 1180 CB LEU A 87 12.228 4.369 -1.693 1.00 0.00 C ATOM 1181 CG LEU A 87 12.214 3.703 -0.316 1.00 0.00 C ATOM 1182 CD1 LEU A 87 12.192 4.751 0.785 1.00 0.00 C ATOM 1183 CD2 LEU A 87 11.013 2.775 -0.195 1.00 0.00 C ATOM 0 H LEU A 87 14.385 3.053 -1.576 1.00 0.00 H new ATOM 0 HA LEU A 87 13.452 5.274 -3.172 1.00 0.00 H new ATOM 0 HB2 LEU A 87 11.517 5.195 -1.685 1.00 0.00 H new ATOM 0 HB3 LEU A 87 11.871 3.649 -2.429 1.00 0.00 H new ATOM 0 HG LEU A 87 13.124 3.113 -0.205 1.00 0.00 H new ATOM 0 HD11 LEU A 87 12.182 4.258 1.757 1.00 0.00 H new ATOM 0 HD12 LEU A 87 13.079 5.380 0.706 1.00 0.00 H new ATOM 0 HD13 LEU A 87 11.299 5.368 0.682 1.00 0.00 H new ATOM 0 HD21 LEU A 87 11.013 2.306 0.789 1.00 0.00 H new ATOM 0 HD22 LEU A 87 10.095 3.349 -0.324 1.00 0.00 H new ATOM 0 HD23 LEU A 87 11.070 2.004 -0.964 1.00 0.00 H new ATOM 1195 N ARG A 88 14.781 5.671 -0.215 1.00 0.00 N ATOM 1196 CA ARG A 88 15.324 6.631 0.732 1.00 0.00 C ATOM 1197 C ARG A 88 16.269 7.603 0.031 1.00 0.00 C ATOM 1198 O ARG A 88 16.142 8.821 0.165 1.00 0.00 O ATOM 1199 CB ARG A 88 16.065 5.882 1.840 1.00 0.00 C ATOM 1200 CG ARG A 88 15.558 6.199 3.237 1.00 0.00 C ATOM 1201 CD ARG A 88 16.581 5.831 4.301 1.00 0.00 C ATOM 1202 NE ARG A 88 16.834 6.935 5.224 1.00 0.00 N ATOM 1203 CZ ARG A 88 17.600 7.983 4.935 1.00 0.00 C ATOM 1204 NH1 ARG A 88 18.188 8.075 3.748 1.00 0.00 N ATOM 1205 NH2 ARG A 88 17.781 8.941 5.833 1.00 0.00 N ATOM 0 H ARG A 88 15.005 4.700 0.002 1.00 0.00 H new ATOM 0 HA ARG A 88 14.506 7.206 1.165 1.00 0.00 H new ATOM 0 HB2 ARG A 88 15.974 4.810 1.665 1.00 0.00 H new ATOM 0 HB3 ARG A 88 17.126 6.126 1.784 1.00 0.00 H new ATOM 0 HG2 ARG A 88 15.325 7.261 3.308 1.00 0.00 H new ATOM 0 HG3 ARG A 88 14.631 5.656 3.420 1.00 0.00 H new ATOM 0 HD2 ARG A 88 16.227 4.965 4.860 1.00 0.00 H new ATOM 0 HD3 ARG A 88 17.515 5.539 3.820 1.00 0.00 H new ATOM 0 HE ARG A 88 16.397 6.900 6.145 1.00 0.00 H new ATOM 0 HH11 ARG A 88 18.053 7.340 3.054 1.00 0.00 H new ATOM 0 HH12 ARG A 88 18.775 8.881 3.531 1.00 0.00 H new ATOM 0 HH21 ARG A 88 17.333 8.875 6.747 1.00 0.00 H new ATOM 0 HH22 ARG A 88 18.369 9.744 5.610 1.00 0.00 H new ATOM 1219 N ARG A 89 17.220 7.054 -0.716 1.00 0.00 N ATOM 1220 CA ARG A 89 18.187 7.868 -1.438 1.00 0.00 C ATOM 1221 C ARG A 89 17.525 8.560 -2.630 1.00 0.00 C ATOM 1222 O ARG A 89 17.867 9.691 -2.971 1.00 0.00 O ATOM 1223 CB ARG A 89 19.385 7.001 -1.871 1.00 0.00 C ATOM 1224 CG ARG A 89 19.620 6.921 -3.371 1.00 0.00 C ATOM 1225 CD ARG A 89 18.708 5.887 -4.004 1.00 0.00 C ATOM 1226 NE ARG A 89 18.533 6.107 -5.438 1.00 0.00 N ATOM 1227 CZ ARG A 89 19.263 5.511 -6.380 1.00 0.00 C ATOM 1228 NH1 ARG A 89 20.237 4.670 -6.049 1.00 0.00 N ATOM 1229 NH2 ARG A 89 19.022 5.761 -7.660 1.00 0.00 N ATOM 0 H ARG A 89 17.341 6.048 -0.837 1.00 0.00 H new ATOM 0 HA ARG A 89 18.561 8.651 -0.778 1.00 0.00 H new ATOM 0 HB2 ARG A 89 20.286 7.393 -1.399 1.00 0.00 H new ATOM 0 HB3 ARG A 89 19.239 5.991 -1.488 1.00 0.00 H new ATOM 0 HG2 ARG A 89 19.442 7.896 -3.824 1.00 0.00 H new ATOM 0 HG3 ARG A 89 20.661 6.664 -3.568 1.00 0.00 H new ATOM 0 HD2 ARG A 89 19.121 4.892 -3.839 1.00 0.00 H new ATOM 0 HD3 ARG A 89 17.735 5.914 -3.513 1.00 0.00 H new ATOM 0 HE ARG A 89 17.806 6.758 -5.737 1.00 0.00 H new ATOM 0 HH11 ARG A 89 20.431 4.476 -5.067 1.00 0.00 H new ATOM 0 HH12 ARG A 89 20.790 4.219 -6.777 1.00 0.00 H new ATOM 0 HH21 ARG A 89 18.279 6.409 -7.922 1.00 0.00 H new ATOM 0 HH22 ARG A 89 19.580 5.306 -8.382 1.00 0.00 H new ATOM 1243 N SER A 90 16.572 7.878 -3.255 1.00 0.00 N ATOM 1244 CA SER A 90 15.866 8.437 -4.402 1.00 0.00 C ATOM 1245 C SER A 90 14.901 9.530 -3.961 1.00 0.00 C ATOM 1246 O SER A 90 14.622 10.465 -4.710 1.00 0.00 O ATOM 1247 CB SER A 90 15.109 7.342 -5.149 1.00 0.00 C ATOM 1248 OG SER A 90 13.903 7.018 -4.490 1.00 0.00 O ATOM 0 H SER A 90 16.271 6.941 -2.988 1.00 0.00 H new ATOM 0 HA SER A 90 16.604 8.875 -5.073 1.00 0.00 H new ATOM 0 HB2 SER A 90 14.894 7.672 -6.165 1.00 0.00 H new ATOM 0 HB3 SER A 90 15.734 6.453 -5.228 1.00 0.00 H new ATOM 0 HG SER A 90 14.009 7.159 -3.526 1.00 0.00 H new ATOM 1254 N MET A 91 14.389 9.403 -2.741 1.00 0.00 N ATOM 1255 CA MET A 91 13.452 10.378 -2.202 1.00 0.00 C ATOM 1256 C MET A 91 14.182 11.512 -1.488 1.00 0.00 C ATOM 1257 O MET A 91 13.604 12.570 -1.240 1.00 0.00 O ATOM 1258 CB MET A 91 12.466 9.699 -1.243 1.00 0.00 C ATOM 1259 CG MET A 91 13.006 9.485 0.167 1.00 0.00 C ATOM 1260 SD MET A 91 12.086 8.242 1.099 1.00 0.00 S ATOM 1261 CE MET A 91 10.512 8.260 0.250 1.00 0.00 C ATOM 0 H MET A 91 14.608 8.634 -2.108 1.00 0.00 H new ATOM 0 HA MET A 91 12.898 10.805 -3.038 1.00 0.00 H new ATOM 0 HB2 MET A 91 11.560 10.303 -1.185 1.00 0.00 H new ATOM 0 HB3 MET A 91 12.179 8.734 -1.660 1.00 0.00 H new ATOM 0 HG2 MET A 91 14.052 9.184 0.107 1.00 0.00 H new ATOM 0 HG3 MET A 91 12.977 10.431 0.708 1.00 0.00 H new ATOM 0 HE1 MET A 91 9.738 7.866 0.909 1.00 0.00 H new ATOM 0 HE2 MET A 91 10.262 9.283 -0.032 1.00 0.00 H new ATOM 0 HE3 MET A 91 10.575 7.642 -0.646 1.00 0.00 H new ATOM 1271 N SER A 92 15.448 11.289 -1.146 1.00 0.00 N ATOM 1272 CA SER A 92 16.229 12.305 -0.446 1.00 0.00 C ATOM 1273 C SER A 92 17.476 12.709 -1.231 1.00 0.00 C ATOM 1274 O SER A 92 18.459 13.162 -0.647 1.00 0.00 O ATOM 1275 CB SER A 92 16.632 11.796 0.940 1.00 0.00 C ATOM 1276 OG SER A 92 16.303 12.740 1.945 1.00 0.00 O ATOM 0 H SER A 92 15.951 10.423 -1.340 1.00 0.00 H new ATOM 0 HA SER A 92 15.599 13.189 -0.345 1.00 0.00 H new ATOM 0 HB2 SER A 92 16.128 10.851 1.145 1.00 0.00 H new ATOM 0 HB3 SER A 92 17.703 11.597 0.960 1.00 0.00 H new ATOM 0 HG SER A 92 16.569 12.391 2.821 1.00 0.00 H new ATOM 1282 N THR A 93 17.439 12.546 -2.551 1.00 0.00 N ATOM 1283 CA THR A 93 18.583 12.906 -3.380 1.00 0.00 C ATOM 1284 C THR A 93 18.186 13.180 -4.832 1.00 0.00 C ATOM 1285 O THR A 93 18.813 13.996 -5.503 1.00 0.00 O ATOM 1286 CB THR A 93 19.641 11.799 -3.303 1.00 0.00 C ATOM 1287 OG1 THR A 93 20.913 12.340 -2.996 1.00 0.00 O ATOM 1288 CG2 THR A 93 19.786 10.982 -4.572 1.00 0.00 C ATOM 0 H THR A 93 16.640 12.172 -3.063 1.00 0.00 H new ATOM 0 HA THR A 93 19.000 13.835 -2.992 1.00 0.00 H new ATOM 0 HB THR A 93 19.284 11.135 -2.516 1.00 0.00 H new ATOM 0 HG1 THR A 93 21.573 11.617 -2.950 1.00 0.00 H new ATOM 0 HG21 THR A 93 20.555 10.222 -4.430 1.00 0.00 H new ATOM 0 HG22 THR A 93 18.837 10.499 -4.804 1.00 0.00 H new ATOM 0 HG23 THR A 93 20.071 11.637 -5.396 1.00 0.00 H new ATOM 1296 N GLU A 94 17.162 12.492 -5.320 1.00 0.00 N ATOM 1297 CA GLU A 94 16.717 12.677 -6.698 1.00 0.00 C ATOM 1298 C GLU A 94 15.290 13.204 -6.756 1.00 0.00 C ATOM 1299 O GLU A 94 14.948 14.007 -7.625 1.00 0.00 O ATOM 1300 CB GLU A 94 16.824 11.362 -7.466 1.00 0.00 C ATOM 1301 CG GLU A 94 18.156 10.666 -7.265 1.00 0.00 C ATOM 1302 CD GLU A 94 18.610 9.903 -8.495 1.00 0.00 C ATOM 1303 OE1 GLU A 94 17.926 8.930 -8.876 1.00 0.00 O ATOM 1304 OE2 GLU A 94 19.650 10.278 -9.075 1.00 0.00 O ATOM 0 H GLU A 94 16.627 11.806 -4.788 1.00 0.00 H new ATOM 0 HA GLU A 94 17.367 13.418 -7.163 1.00 0.00 H new ATOM 0 HB2 GLU A 94 16.021 10.696 -7.150 1.00 0.00 H new ATOM 0 HB3 GLU A 94 16.678 11.555 -8.529 1.00 0.00 H new ATOM 0 HG2 GLU A 94 18.912 11.406 -7.002 1.00 0.00 H new ATOM 0 HG3 GLU A 94 18.078 9.977 -6.424 1.00 0.00 H new ATOM 1311 N GLY A 95 14.466 12.756 -5.821 1.00 0.00 N ATOM 1312 CA GLY A 95 13.089 13.201 -5.776 1.00 0.00 C ATOM 1313 C GLY A 95 12.969 14.579 -5.168 1.00 0.00 C ATOM 1314 O GLY A 95 12.086 15.356 -5.529 1.00 0.00 O ATOM 0 H GLY A 95 14.727 12.092 -5.092 1.00 0.00 H new ATOM 0 HA2 GLY A 95 12.676 13.211 -6.785 1.00 0.00 H new ATOM 0 HA3 GLY A 95 12.496 12.494 -5.196 1.00 0.00 H new ATOM 1318 N ASN A 96 13.874 14.879 -4.246 1.00 0.00 N ATOM 1319 CA ASN A 96 13.891 16.169 -3.580 1.00 0.00 C ATOM 1320 C ASN A 96 14.447 17.240 -4.519 1.00 0.00 C ATOM 1321 O ASN A 96 14.045 18.401 -4.455 1.00 0.00 O ATOM 1322 CB ASN A 96 14.717 16.073 -2.288 1.00 0.00 C ATOM 1323 CG ASN A 96 15.337 17.392 -1.870 1.00 0.00 C ATOM 1324 OD1 ASN A 96 14.574 18.467 -2.004 1.00 0.00 O flip ATOM 1325 ND2 ASN A 96 16.486 17.441 -1.431 1.00 0.00 N flip ATOM 0 H ASN A 96 14.609 14.240 -3.943 1.00 0.00 H new ATOM 0 HA ASN A 96 12.873 16.456 -3.315 1.00 0.00 H new ATOM 0 HB2 ASN A 96 14.078 15.709 -1.483 1.00 0.00 H new ATOM 0 HB3 ASN A 96 15.508 15.336 -2.425 1.00 0.00 H new ATOM 0 HD21 ASN A 96 17.036 16.586 -1.346 1.00 0.00 H new ATOM 0 HD22 ASN A 96 16.888 18.336 -1.153 1.00 0.00 H new ATOM 1332 N LYS A 97 15.369 16.837 -5.396 1.00 0.00 N ATOM 1333 CA LYS A 97 15.977 17.758 -6.360 1.00 0.00 C ATOM 1334 C LYS A 97 14.942 18.730 -6.919 1.00 0.00 C ATOM 1335 O LYS A 97 15.168 19.939 -6.964 1.00 0.00 O ATOM 1336 CB LYS A 97 16.629 16.976 -7.500 1.00 0.00 C ATOM 1337 CG LYS A 97 17.686 15.989 -7.033 1.00 0.00 C ATOM 1338 CD LYS A 97 18.771 16.679 -6.224 1.00 0.00 C ATOM 1339 CE LYS A 97 19.626 17.582 -7.097 1.00 0.00 C ATOM 1340 NZ LYS A 97 20.418 18.551 -6.291 1.00 0.00 N ATOM 0 H LYS A 97 15.711 15.878 -5.459 1.00 0.00 H new ATOM 0 HA LYS A 97 16.741 18.335 -5.839 1.00 0.00 H new ATOM 0 HB2 LYS A 97 15.856 16.436 -8.048 1.00 0.00 H new ATOM 0 HB3 LYS A 97 17.083 17.679 -8.199 1.00 0.00 H new ATOM 0 HG2 LYS A 97 17.218 15.212 -6.429 1.00 0.00 H new ATOM 0 HG3 LYS A 97 18.132 15.496 -7.897 1.00 0.00 H new ATOM 0 HD2 LYS A 97 18.315 17.267 -5.428 1.00 0.00 H new ATOM 0 HD3 LYS A 97 19.402 15.930 -5.746 1.00 0.00 H new ATOM 0 HE2 LYS A 97 20.302 16.972 -7.697 1.00 0.00 H new ATOM 0 HE3 LYS A 97 18.986 18.126 -7.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 20.987 19.147 -6.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 19.773 19.151 -5.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 21.048 18.033 -5.646 1.00 0.00 H new ATOM 1354 N ARG A 98 13.799 18.191 -7.322 1.00 0.00 N ATOM 1355 CA ARG A 98 12.711 19.006 -7.852 1.00 0.00 C ATOM 1356 C ARG A 98 11.778 19.422 -6.723 1.00 0.00 C ATOM 1357 O ARG A 98 11.081 20.435 -6.814 1.00 0.00 O ATOM 1358 CB ARG A 98 11.910 18.242 -8.915 1.00 0.00 C ATOM 1359 CG ARG A 98 12.682 17.128 -9.601 1.00 0.00 C ATOM 1360 CD ARG A 98 12.508 15.797 -8.886 1.00 0.00 C ATOM 1361 NE ARG A 98 11.899 14.788 -9.748 1.00 0.00 N ATOM 1362 CZ ARG A 98 12.467 14.319 -10.859 1.00 0.00 C ATOM 1363 NH1 ARG A 98 13.659 14.758 -11.240 1.00 0.00 N ATOM 1364 NH2 ARG A 98 11.840 13.405 -11.588 1.00 0.00 N ATOM 0 H ARG A 98 13.600 17.191 -7.292 1.00 0.00 H new ATOM 0 HA ARG A 98 13.150 19.889 -8.317 1.00 0.00 H new ATOM 0 HB2 ARG A 98 11.021 17.818 -8.448 1.00 0.00 H new ATOM 0 HB3 ARG A 98 11.566 18.948 -9.671 1.00 0.00 H new ATOM 0 HG2 ARG A 98 12.344 17.033 -10.633 1.00 0.00 H new ATOM 0 HG3 ARG A 98 13.740 17.387 -9.635 1.00 0.00 H new ATOM 0 HD2 ARG A 98 13.479 15.441 -8.541 1.00 0.00 H new ATOM 0 HD3 ARG A 98 11.888 15.939 -8.001 1.00 0.00 H new ATOM 0 HE ARG A 98 10.985 14.420 -9.484 1.00 0.00 H new ATOM 0 HH11 ARG A 98 14.147 15.459 -10.682 1.00 0.00 H new ATOM 0 HH12 ARG A 98 14.088 14.395 -12.091 1.00 0.00 H new ATOM 0 HH21 ARG A 98 10.924 13.062 -11.298 1.00 0.00 H new ATOM 0 HH22 ARG A 98 12.274 13.045 -12.438 1.00 0.00 H new ATOM 1378 N GLY A 99 11.763 18.618 -5.666 1.00 0.00 N ATOM 1379 CA GLY A 99 10.908 18.890 -4.530 1.00 0.00 C ATOM 1380 C GLY A 99 9.836 17.832 -4.363 1.00 0.00 C ATOM 1381 O GLY A 99 9.006 17.923 -3.460 1.00 0.00 O ATOM 0 H GLY A 99 12.333 17.777 -5.577 1.00 0.00 H new ATOM 0 HA2 GLY A 99 11.513 18.940 -3.624 1.00 0.00 H new ATOM 0 HA3 GLY A 99 10.439 19.866 -4.654 1.00 0.00 H new ATOM 1385 N MET A 100 9.849 16.826 -5.242 1.00 0.00 N ATOM 1386 CA MET A 100 8.868 15.752 -5.195 1.00 0.00 C ATOM 1387 C MET A 100 9.415 14.477 -5.830 1.00 0.00 C ATOM 1388 O MET A 100 10.104 14.522 -6.848 1.00 0.00 O ATOM 1389 CB MET A 100 7.600 16.181 -5.928 1.00 0.00 C ATOM 1390 CG MET A 100 7.818 16.400 -7.417 1.00 0.00 C ATOM 1391 SD MET A 100 6.690 15.441 -8.441 1.00 0.00 S ATOM 1392 CE MET A 100 7.503 13.846 -8.421 1.00 0.00 C ATOM 0 H MET A 100 10.532 16.738 -5.994 1.00 0.00 H new ATOM 0 HA MET A 100 8.641 15.545 -4.149 1.00 0.00 H new ATOM 0 HB2 MET A 100 6.831 15.421 -5.787 1.00 0.00 H new ATOM 0 HB3 MET A 100 7.224 17.102 -5.482 1.00 0.00 H new ATOM 0 HG2 MET A 100 7.696 17.459 -7.645 1.00 0.00 H new ATOM 0 HG3 MET A 100 8.845 16.136 -7.671 1.00 0.00 H new ATOM 0 HE1 MET A 100 7.042 13.193 -9.162 1.00 0.00 H new ATOM 0 HE2 MET A 100 8.560 13.973 -8.656 1.00 0.00 H new ATOM 0 HE3 MET A 100 7.403 13.399 -7.432 1.00 0.00 H new ATOM 1402 N ILE A 101 9.093 13.340 -5.223 1.00 0.00 N ATOM 1403 CA ILE A 101 9.540 12.051 -5.729 1.00 0.00 C ATOM 1404 C ILE A 101 8.357 11.233 -6.238 1.00 0.00 C ATOM 1405 O ILE A 101 7.260 11.295 -5.683 1.00 0.00 O ATOM 1406 CB ILE A 101 10.316 11.255 -4.647 1.00 0.00 C ATOM 1407 CG1 ILE A 101 9.692 9.879 -4.397 1.00 0.00 C ATOM 1408 CG2 ILE A 101 10.395 12.043 -3.348 1.00 0.00 C ATOM 1409 CD1 ILE A 101 10.427 9.061 -3.360 1.00 0.00 C ATOM 0 H ILE A 101 8.523 13.287 -4.379 1.00 0.00 H new ATOM 0 HA ILE A 101 10.220 12.242 -6.560 1.00 0.00 H new ATOM 0 HB ILE A 101 11.327 11.098 -5.024 1.00 0.00 H new ATOM 0 HG12 ILE A 101 8.658 10.011 -4.078 1.00 0.00 H new ATOM 0 HG13 ILE A 101 9.668 9.324 -5.335 1.00 0.00 H new ATOM 0 HG21 ILE A 101 10.944 11.465 -2.604 1.00 0.00 H new ATOM 0 HG22 ILE A 101 10.910 12.987 -3.526 1.00 0.00 H new ATOM 0 HG23 ILE A 101 9.388 12.243 -2.982 1.00 0.00 H new ATOM 0 HD11 ILE A 101 9.929 8.100 -3.235 1.00 0.00 H new ATOM 0 HD12 ILE A 101 11.454 8.898 -3.686 1.00 0.00 H new ATOM 0 HD13 ILE A 101 10.429 9.595 -2.410 1.00 0.00 H new ATOM 1421 N GLN A 102 8.591 10.459 -7.292 1.00 0.00 N ATOM 1422 CA GLN A 102 7.550 9.619 -7.872 1.00 0.00 C ATOM 1423 C GLN A 102 7.475 8.290 -7.124 1.00 0.00 C ATOM 1424 O GLN A 102 8.502 7.721 -6.754 1.00 0.00 O ATOM 1425 CB GLN A 102 7.836 9.376 -9.355 1.00 0.00 C ATOM 1426 CG GLN A 102 6.659 8.788 -10.114 1.00 0.00 C ATOM 1427 CD GLN A 102 6.595 7.279 -10.007 1.00 0.00 C ATOM 1428 OE1 GLN A 102 5.562 6.715 -9.645 1.00 0.00 O ATOM 1429 NE2 GLN A 102 7.702 6.613 -10.321 1.00 0.00 N ATOM 0 H GLN A 102 9.494 10.396 -7.763 1.00 0.00 H new ATOM 0 HA GLN A 102 6.591 10.129 -7.780 1.00 0.00 H new ATOM 0 HB2 GLN A 102 8.123 10.319 -9.820 1.00 0.00 H new ATOM 0 HB3 GLN A 102 8.689 8.703 -9.446 1.00 0.00 H new ATOM 0 HG2 GLN A 102 5.733 9.216 -9.730 1.00 0.00 H new ATOM 0 HG3 GLN A 102 6.730 9.072 -11.164 1.00 0.00 H new ATOM 0 HE21 GLN A 102 8.536 7.120 -10.616 1.00 0.00 H new ATOM 0 HE22 GLN A 102 7.717 5.595 -10.267 1.00 0.00 H new ATOM 1438 N LEU A 103 6.261 7.802 -6.889 1.00 0.00 N ATOM 1439 CA LEU A 103 6.078 6.544 -6.173 1.00 0.00 C ATOM 1440 C LEU A 103 5.143 5.603 -6.915 1.00 0.00 C ATOM 1441 O LEU A 103 4.099 6.013 -7.418 1.00 0.00 O ATOM 1442 CB LEU A 103 5.519 6.797 -4.770 1.00 0.00 C ATOM 1443 CG LEU A 103 6.442 7.555 -3.817 1.00 0.00 C ATOM 1444 CD1 LEU A 103 7.857 7.004 -3.881 1.00 0.00 C ATOM 1445 CD2 LEU A 103 6.426 9.039 -4.142 1.00 0.00 C ATOM 0 H LEU A 103 5.395 8.255 -7.181 1.00 0.00 H new ATOM 0 HA LEU A 103 7.059 6.075 -6.101 1.00 0.00 H new ATOM 0 HB2 LEU A 103 4.587 7.355 -4.865 1.00 0.00 H new ATOM 0 HB3 LEU A 103 5.271 5.836 -4.319 1.00 0.00 H new ATOM 0 HG LEU A 103 6.076 7.418 -2.799 1.00 0.00 H new ATOM 0 HD11 LEU A 103 8.495 7.560 -3.194 1.00 0.00 H new ATOM 0 HD12 LEU A 103 7.851 5.951 -3.599 1.00 0.00 H new ATOM 0 HD13 LEU A 103 8.241 7.106 -4.896 1.00 0.00 H new ATOM 0 HD21 LEU A 103 7.087 9.569 -3.456 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.768 9.191 -5.166 1.00 0.00 H new ATOM 0 HD23 LEU A 103 5.411 9.423 -4.037 1.00 0.00 H new ATOM 1457 N ILE A 104 5.515 4.332 -6.949 1.00 0.00 N ATOM 1458 CA ILE A 104 4.703 3.311 -7.594 1.00 0.00 C ATOM 1459 C ILE A 104 4.444 2.175 -6.618 1.00 0.00 C ATOM 1460 O ILE A 104 5.365 1.467 -6.218 1.00 0.00 O ATOM 1461 CB ILE A 104 5.383 2.756 -8.860 1.00 0.00 C ATOM 1462 CG1 ILE A 104 5.675 3.893 -9.834 1.00 0.00 C ATOM 1463 CG2 ILE A 104 4.511 1.693 -9.518 1.00 0.00 C ATOM 1464 CD1 ILE A 104 6.470 3.465 -11.047 1.00 0.00 C ATOM 0 H ILE A 104 6.379 3.982 -6.535 1.00 0.00 H new ATOM 0 HA ILE A 104 3.762 3.772 -7.893 1.00 0.00 H new ATOM 0 HB ILE A 104 6.325 2.288 -8.575 1.00 0.00 H new ATOM 0 HG12 ILE A 104 4.732 4.328 -10.164 1.00 0.00 H new ATOM 0 HG13 ILE A 104 6.222 4.677 -9.310 1.00 0.00 H new ATOM 0 HG21 ILE A 104 5.010 1.314 -10.410 1.00 0.00 H new ATOM 0 HG22 ILE A 104 4.347 0.873 -8.819 1.00 0.00 H new ATOM 0 HG23 ILE A 104 3.552 2.130 -9.796 1.00 0.00 H new ATOM 0 HD11 ILE A 104 6.639 4.326 -11.694 1.00 0.00 H new ATOM 0 HD12 ILE A 104 7.429 3.057 -10.728 1.00 0.00 H new ATOM 0 HD13 ILE A 104 5.916 2.703 -11.595 1.00 0.00 H new ATOM 1476 N VAL A 105 3.190 2.019 -6.224 1.00 0.00 N ATOM 1477 CA VAL A 105 2.817 0.977 -5.275 1.00 0.00 C ATOM 1478 C VAL A 105 1.738 0.065 -5.844 1.00 0.00 C ATOM 1479 O VAL A 105 1.218 0.305 -6.932 1.00 0.00 O ATOM 1480 CB VAL A 105 2.317 1.589 -3.949 1.00 0.00 C ATOM 1481 CG1 VAL A 105 3.399 2.455 -3.321 1.00 0.00 C ATOM 1482 CG2 VAL A 105 1.045 2.393 -4.174 1.00 0.00 C ATOM 0 H VAL A 105 2.414 2.598 -6.544 1.00 0.00 H new ATOM 0 HA VAL A 105 3.713 0.386 -5.084 1.00 0.00 H new ATOM 0 HB VAL A 105 2.086 0.776 -3.260 1.00 0.00 H new ATOM 0 HG11 VAL A 105 3.030 2.879 -2.387 1.00 0.00 H new ATOM 0 HG12 VAL A 105 4.281 1.847 -3.120 1.00 0.00 H new ATOM 0 HG13 VAL A 105 3.663 3.261 -4.006 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.709 2.816 -3.227 1.00 0.00 H new ATOM 0 HG22 VAL A 105 1.244 3.199 -4.881 1.00 0.00 H new ATOM 0 HG23 VAL A 105 0.269 1.741 -4.576 1.00 0.00 H new ATOM 1492 N ALA A 106 1.406 -0.983 -5.100 1.00 0.00 N ATOM 1493 CA ALA A 106 0.389 -1.931 -5.528 1.00 0.00 C ATOM 1494 C ALA A 106 -0.359 -2.502 -4.329 1.00 0.00 C ATOM 1495 O ALA A 106 0.245 -2.838 -3.311 1.00 0.00 O ATOM 1496 CB ALA A 106 1.016 -3.046 -6.349 1.00 0.00 C ATOM 0 H ALA A 106 1.828 -1.197 -4.196 1.00 0.00 H new ATOM 0 HA ALA A 106 -0.330 -1.402 -6.154 1.00 0.00 H new ATOM 0 HB1 ALA A 106 0.242 -3.747 -6.662 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.499 -2.622 -7.230 1.00 0.00 H new ATOM 0 HB3 ALA A 106 1.757 -3.570 -5.745 1.00 0.00 H new ATOM 1502 N ARG A 107 -1.677 -2.610 -4.456 1.00 0.00 N ATOM 1503 CA ARG A 107 -2.503 -3.142 -3.378 1.00 0.00 C ATOM 1504 C ARG A 107 -3.705 -3.896 -3.934 1.00 0.00 C ATOM 1505 O ARG A 107 -3.865 -4.019 -5.149 1.00 0.00 O ATOM 1506 CB ARG A 107 -2.974 -2.020 -2.446 1.00 0.00 C ATOM 1507 CG ARG A 107 -3.182 -0.685 -3.138 1.00 0.00 C ATOM 1508 CD ARG A 107 -4.463 -0.674 -3.954 1.00 0.00 C ATOM 1509 NE ARG A 107 -5.646 -0.504 -3.112 1.00 0.00 N ATOM 1510 CZ ARG A 107 -6.829 -0.101 -3.568 1.00 0.00 C ATOM 1511 NH1 ARG A 107 -6.995 0.174 -4.855 1.00 0.00 N ATOM 1512 NH2 ARG A 107 -7.851 0.028 -2.733 1.00 0.00 N ATOM 0 H ARG A 107 -2.195 -2.337 -5.291 1.00 0.00 H new ATOM 0 HA ARG A 107 -1.891 -3.838 -2.805 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -3.909 -2.322 -1.975 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -2.242 -1.893 -1.649 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -3.217 0.110 -2.393 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -2.333 -0.475 -3.789 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -4.420 0.132 -4.686 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -4.546 -1.607 -4.512 1.00 0.00 H new ATOM 0 HE ARG A 107 -5.559 -0.706 -2.116 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -6.213 0.077 -5.502 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -7.905 0.482 -5.197 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -7.730 -0.182 -1.742 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -8.758 0.337 -3.082 1.00 0.00 H new ATOM 1683 N ILE B 10 10.914 -1.234 10.652 1.00 0.00 N ATOM 1684 CA ILE B 10 10.279 -0.103 9.996 1.00 0.00 C ATOM 1685 C ILE B 10 11.259 1.038 9.781 1.00 0.00 C ATOM 1686 O ILE B 10 11.851 1.561 10.724 1.00 0.00 O ATOM 1687 CB ILE B 10 9.067 0.419 10.790 1.00 0.00 C ATOM 1688 CG1 ILE B 10 8.441 -0.700 11.625 1.00 0.00 C ATOM 1689 CG2 ILE B 10 8.041 1.014 9.840 1.00 0.00 C ATOM 1690 CD1 ILE B 10 7.696 -1.734 10.809 1.00 0.00 C ATOM 0 HA ILE B 10 9.933 -0.468 9.029 1.00 0.00 H new ATOM 0 HB ILE B 10 9.408 1.197 11.472 1.00 0.00 H new ATOM 0 HG12 ILE B 10 9.226 -1.198 12.194 1.00 0.00 H new ATOM 0 HG13 ILE B 10 7.755 -0.259 12.348 1.00 0.00 H new ATOM 0 HG21 ILE B 10 7.187 1.381 10.410 1.00 0.00 H new ATOM 0 HG22 ILE B 10 8.491 1.840 9.289 1.00 0.00 H new ATOM 0 HG23 ILE B 10 7.708 0.249 9.139 1.00 0.00 H new ATOM 0 HD11 ILE B 10 7.282 -2.493 11.473 1.00 0.00 H new ATOM 0 HD12 ILE B 10 6.887 -1.251 10.261 1.00 0.00 H new ATOM 0 HD13 ILE B 10 8.382 -2.204 10.104 1.00 0.00 H new ATOM 1702 N THR B 11 11.416 1.416 8.523 1.00 0.00 N ATOM 1703 CA THR B 11 12.315 2.501 8.147 1.00 0.00 C ATOM 1704 C THR B 11 11.559 3.826 8.107 1.00 0.00 C ATOM 1705 O THR B 11 10.658 4.015 7.290 1.00 0.00 O ATOM 1706 CB THR B 11 12.955 2.206 6.784 1.00 0.00 C ATOM 1707 OG1 THR B 11 13.908 1.164 6.897 1.00 0.00 O ATOM 1708 CG2 THR B 11 13.654 3.400 6.168 1.00 0.00 C ATOM 0 H THR B 11 10.929 0.985 7.737 1.00 0.00 H new ATOM 0 HA THR B 11 13.105 2.578 8.894 1.00 0.00 H new ATOM 0 HB THR B 11 12.126 1.923 6.135 1.00 0.00 H new ATOM 0 HG1 THR B 11 13.770 0.515 6.176 1.00 0.00 H new ATOM 0 HG21 THR B 11 14.082 3.115 5.207 1.00 0.00 H new ATOM 0 HG22 THR B 11 12.935 4.206 6.021 1.00 0.00 H new ATOM 0 HG23 THR B 11 14.449 3.739 6.832 1.00 0.00 H new ATOM 1716 N LYS B 12 11.926 4.737 9.000 1.00 0.00 N ATOM 1717 CA LYS B 12 11.276 6.041 9.073 1.00 0.00 C ATOM 1718 C LYS B 12 11.721 6.952 7.934 1.00 0.00 C ATOM 1719 O LYS B 12 12.811 7.523 7.967 1.00 0.00 O ATOM 1720 CB LYS B 12 11.577 6.708 10.416 1.00 0.00 C ATOM 1721 CG LYS B 12 10.697 7.913 10.707 1.00 0.00 C ATOM 1722 CD LYS B 12 9.271 7.496 11.029 1.00 0.00 C ATOM 1723 CE LYS B 12 9.161 6.934 12.438 1.00 0.00 C ATOM 1724 NZ LYS B 12 7.792 6.424 12.727 1.00 0.00 N ATOM 0 H LYS B 12 12.670 4.598 9.684 1.00 0.00 H new ATOM 0 HA LYS B 12 10.202 5.880 8.980 1.00 0.00 H new ATOM 0 HB2 LYS B 12 11.450 5.975 11.213 1.00 0.00 H new ATOM 0 HB3 LYS B 12 12.622 7.019 10.432 1.00 0.00 H new ATOM 0 HG2 LYS B 12 11.111 8.474 11.545 1.00 0.00 H new ATOM 0 HG3 LYS B 12 10.696 8.581 9.846 1.00 0.00 H new ATOM 0 HD2 LYS B 12 8.607 8.354 10.925 1.00 0.00 H new ATOM 0 HD3 LYS B 12 8.938 6.747 10.310 1.00 0.00 H new ATOM 0 HE2 LYS B 12 9.883 6.127 12.565 1.00 0.00 H new ATOM 0 HE3 LYS B 12 9.419 7.709 13.159 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 7.851 5.630 13.396 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 7.218 7.185 13.143 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 7.349 6.100 11.844 1.00 0.00 H new ATOM 1738 N VAL B 13 10.859 7.093 6.933 1.00 0.00 N ATOM 1739 CA VAL B 13 11.145 7.948 5.787 1.00 0.00 C ATOM 1740 C VAL B 13 10.035 8.975 5.596 1.00 0.00 C ATOM 1741 O VAL B 13 9.510 9.089 4.468 1.00 0.00 O ATOM 1742 CB VAL B 13 11.313 7.128 4.490 1.00 0.00 C ATOM 1743 CG1 VAL B 13 12.543 6.240 4.572 1.00 0.00 C ATOM 1744 CG2 VAL B 13 10.066 6.299 4.215 1.00 0.00 C ATOM 1745 OXT VAL B 13 9.688 9.655 6.585 1.00 0.00 O ATOM 0 H VAL B 13 9.954 6.625 6.892 1.00 0.00 H new ATOM 0 HA VAL B 13 12.085 8.460 5.994 1.00 0.00 H new ATOM 0 HB VAL B 13 11.450 7.822 3.661 1.00 0.00 H new ATOM 0 HG11 VAL B 13 12.643 5.671 3.648 1.00 0.00 H new ATOM 0 HG12 VAL B 13 13.429 6.858 4.715 1.00 0.00 H new ATOM 0 HG13 VAL B 13 12.440 5.553 5.412 1.00 0.00 H new ATOM 0 HG21 VAL B 13 10.204 5.728 3.297 1.00 0.00 H new ATOM 0 HG22 VAL B 13 9.894 5.614 5.046 1.00 0.00 H new ATOM 0 HG23 VAL B 13 9.206 6.960 4.106 1.00 0.00 H new