USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 714 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 49 HIS : no HD1:sc= -2.4! C(o=-0.25!,f=-16!) USER MOD Set 1.2: A 65 ASN : amide:sc= 0.93 K(o=-0.25,f=-14!) USER MOD Set 1.3: A 70 THR OG1 : rot 85:sc= 1.22 USER MOD Set 2.1: A 21 TYR OH : rot 59:sc= 1.85 USER MOD Set 2.2: A 28 ASN : amide:sc= -0.566 K(o=1.3,f=-5.8!) USER MOD Set 3.1: A 10 THR OG1 : rot 148:sc= 1.32 USER MOD Set 3.2: A 100 HIS : no HE2:sc= 0.695 K(o=2,f=-1.4) USER MOD Single : A 7 THR OG1 : rot 38:sc= 0.291 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.12 X(o=-0.12,f=-0.14) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.446 X(o=-0.45,f=-0.82) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 37 GLN : amide:sc= -0.301 X(o=-0.3,f=-0.088) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0.00936 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.202 K(o=-0.2,f=-2!) USER MOD Single : A 71 THR OG1 : rot -170:sc= -1.68! USER MOD Single : A 73 ASN : amide:sc= -0.547 X(o=-0.55,f=-0.12) USER MOD Single : A 74 ASN : amide:sc= -0.159 K(o=-0.16,f=-0.8) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 HIS : no HE2:sc= 1.11 K(o=1.1,f=-4.3!) USER MOD Single : A 93 SER OG : rot 73:sc= 0.562 USER MOD Single : A 99 MET CE :methyl -178:sc= 0 (180deg=-0.0057) USER MOD ----------------------------------------------------------------- ATOM 62 N THR A 7 -6.302 -8.310 2.710 1.00 42.11 N ATOM 63 CA THR A 7 -5.238 -7.394 2.990 1.00 25.23 C ATOM 64 C THR A 7 -5.276 -6.251 1.978 1.00 43.30 C ATOM 65 O THR A 7 -5.168 -6.470 0.762 1.00 13.13 O ATOM 66 CB THR A 7 -3.886 -8.121 2.863 1.00 53.01 C ATOM 67 OG1 THR A 7 -3.942 -9.352 3.604 1.00 74.11 O ATOM 68 CG2 THR A 7 -2.750 -7.255 3.404 1.00 73.15 C ATOM 0 HA THR A 7 -5.356 -7.004 4.001 1.00 25.23 H new ATOM 0 HB THR A 7 -3.695 -8.323 1.809 1.00 53.01 H new ATOM 0 HG1 THR A 7 -4.831 -9.753 3.506 1.00 74.11 H new ATOM 0 HG21 THR A 7 -1.805 -7.790 3.304 1.00 73.15 H new ATOM 0 HG22 THR A 7 -2.702 -6.324 2.839 1.00 73.15 H new ATOM 0 HG23 THR A 7 -2.931 -7.033 4.456 1.00 73.15 H new ATOM 76 N SER A 8 -5.500 -5.069 2.449 1.00 54.31 N ATOM 77 CA SER A 8 -5.498 -3.914 1.600 1.00 52.34 C ATOM 78 C SER A 8 -4.927 -2.743 2.352 1.00 63.02 C ATOM 79 O SER A 8 -5.275 -2.519 3.508 1.00 14.20 O ATOM 80 CB SER A 8 -6.919 -3.607 1.105 1.00 53.14 C ATOM 81 OG SER A 8 -7.457 -4.726 0.395 1.00 61.02 O ATOM 0 H SER A 8 -5.690 -4.872 3.432 1.00 54.31 H new ATOM 0 HA SER A 8 -4.877 -4.110 0.726 1.00 52.34 H new ATOM 0 HB2 SER A 8 -7.561 -3.364 1.952 1.00 53.14 H new ATOM 0 HB3 SER A 8 -6.903 -2.731 0.456 1.00 53.14 H new ATOM 0 HG SER A 8 -8.363 -4.514 0.088 1.00 61.02 H new ATOM 87 N VAL A 9 -4.014 -2.049 1.734 1.00 31.53 N ATOM 88 CA VAL A 9 -3.435 -0.882 2.330 1.00 14.22 C ATOM 89 C VAL A 9 -4.112 0.321 1.726 1.00 4.25 C ATOM 90 O VAL A 9 -3.992 0.582 0.512 1.00 13.20 O ATOM 91 CB VAL A 9 -1.909 -0.803 2.103 1.00 4.11 C ATOM 92 CG1 VAL A 9 -1.320 0.399 2.825 1.00 65.14 C ATOM 93 CG2 VAL A 9 -1.233 -2.077 2.567 1.00 43.35 C ATOM 0 H VAL A 9 -3.652 -2.276 0.808 1.00 31.53 H new ATOM 0 HA VAL A 9 -3.585 -0.921 3.409 1.00 14.22 H new ATOM 0 HB VAL A 9 -1.731 -0.686 1.034 1.00 4.11 H new ATOM 0 HG11 VAL A 9 -0.244 0.436 2.652 1.00 65.14 H new ATOM 0 HG12 VAL A 9 -1.780 1.312 2.447 1.00 65.14 H new ATOM 0 HG13 VAL A 9 -1.513 0.312 3.894 1.00 65.14 H new ATOM 0 HG21 VAL A 9 -0.159 -2.001 2.398 1.00 43.35 H new ATOM 0 HG22 VAL A 9 -1.424 -2.224 3.630 1.00 43.35 H new ATOM 0 HG23 VAL A 9 -1.629 -2.924 2.007 1.00 43.35 H new ATOM 103 N THR A 10 -4.835 1.005 2.534 1.00 13.22 N ATOM 104 CA THR A 10 -5.596 2.116 2.106 1.00 23.12 C ATOM 105 C THR A 10 -5.100 3.377 2.801 1.00 65.34 C ATOM 106 O THR A 10 -4.907 3.399 4.025 1.00 71.24 O ATOM 107 CB THR A 10 -7.090 1.886 2.424 1.00 1.53 C ATOM 108 OG1 THR A 10 -7.525 0.640 1.840 1.00 51.31 O ATOM 109 CG2 THR A 10 -7.945 3.011 1.873 1.00 73.21 C ATOM 0 H THR A 10 -4.915 0.803 3.531 1.00 13.22 H new ATOM 0 HA THR A 10 -5.481 2.236 1.029 1.00 23.12 H new ATOM 0 HB THR A 10 -7.204 1.856 3.508 1.00 1.53 H new ATOM 0 HG1 THR A 10 -8.222 0.241 2.402 1.00 51.31 H new ATOM 0 HG21 THR A 10 -8.992 2.823 2.112 1.00 73.21 H new ATOM 0 HG22 THR A 10 -7.635 3.956 2.320 1.00 73.21 H new ATOM 0 HG23 THR A 10 -7.823 3.064 0.791 1.00 73.21 H new ATOM 117 N LEU A 11 -4.846 4.385 2.021 1.00 73.10 N ATOM 118 CA LEU A 11 -4.428 5.662 2.525 1.00 61.34 C ATOM 119 C LEU A 11 -5.659 6.471 2.835 1.00 13.50 C ATOM 120 O LEU A 11 -6.512 6.664 1.972 1.00 51.34 O ATOM 121 CB LEU A 11 -3.579 6.376 1.489 1.00 23.54 C ATOM 122 CG LEU A 11 -2.348 5.625 1.023 1.00 3.23 C ATOM 123 CD1 LEU A 11 -1.619 6.408 -0.057 1.00 74.13 C ATOM 124 CD2 LEU A 11 -1.411 5.316 2.187 1.00 21.42 C ATOM 0 H LEU A 11 -4.924 4.345 1.005 1.00 73.10 H new ATOM 0 HA LEU A 11 -3.829 5.533 3.427 1.00 61.34 H new ATOM 0 HB2 LEU A 11 -4.202 6.592 0.621 1.00 23.54 H new ATOM 0 HB3 LEU A 11 -3.264 7.335 1.901 1.00 23.54 H new ATOM 0 HG LEU A 11 -2.678 4.676 0.600 1.00 3.23 H new ATOM 0 HD11 LEU A 11 -0.738 5.852 -0.378 1.00 74.13 H new ATOM 0 HD12 LEU A 11 -2.283 6.559 -0.908 1.00 74.13 H new ATOM 0 HD13 LEU A 11 -1.312 7.376 0.340 1.00 74.13 H new ATOM 0 HD21 LEU A 11 -0.538 4.777 1.818 1.00 21.42 H new ATOM 0 HD22 LEU A 11 -1.091 6.248 2.654 1.00 21.42 H new ATOM 0 HD23 LEU A 11 -1.933 4.702 2.921 1.00 21.42 H new ATOM 136 N GLN A 12 -5.761 6.909 4.041 1.00 33.15 N ATOM 137 CA GLN A 12 -6.938 7.620 4.503 1.00 24.23 C ATOM 138 C GLN A 12 -6.569 9.086 4.827 1.00 14.01 C ATOM 139 O GLN A 12 -5.690 9.340 5.664 1.00 31.50 O ATOM 140 CB GLN A 12 -7.462 6.908 5.769 1.00 61.12 C ATOM 141 CG GLN A 12 -8.971 7.037 6.060 1.00 54.33 C ATOM 142 CD GLN A 12 -9.453 8.457 6.256 1.00 43.13 C ATOM 143 OE1 GLN A 12 -9.448 8.984 7.363 1.00 0.14 O ATOM 144 NE2 GLN A 12 -9.912 9.069 5.204 1.00 45.44 N ATOM 0 H GLN A 12 -5.037 6.792 4.750 1.00 33.15 H new ATOM 0 HA GLN A 12 -7.709 7.623 3.732 1.00 24.23 H new ATOM 0 HB2 GLN A 12 -7.220 5.848 5.688 1.00 61.12 H new ATOM 0 HB3 GLN A 12 -6.915 7.295 6.629 1.00 61.12 H new ATOM 0 HG2 GLN A 12 -9.527 6.589 5.236 1.00 54.33 H new ATOM 0 HG3 GLN A 12 -9.206 6.460 6.954 1.00 54.33 H new ATOM 0 HE21 GLN A 12 -9.902 8.602 4.297 1.00 45.44 H new ATOM 0 HE22 GLN A 12 -10.282 10.016 5.286 1.00 45.44 H new ATOM 153 N LEU A 13 -7.216 10.023 4.152 1.00 32.42 N ATOM 154 CA LEU A 13 -7.027 11.452 4.395 1.00 54.43 C ATOM 155 C LEU A 13 -8.405 12.067 4.565 1.00 43.45 C ATOM 156 O LEU A 13 -9.375 11.605 3.933 1.00 34.10 O ATOM 157 CB LEU A 13 -6.283 12.123 3.211 1.00 73.42 C ATOM 158 CG LEU A 13 -7.070 12.293 1.902 1.00 73.11 C ATOM 159 CD1 LEU A 13 -7.646 13.705 1.777 1.00 22.21 C ATOM 160 CD2 LEU A 13 -6.225 11.920 0.694 1.00 21.23 C ATOM 0 H LEU A 13 -7.891 9.817 3.416 1.00 32.42 H new ATOM 0 HA LEU A 13 -6.419 11.605 5.287 1.00 54.43 H new ATOM 0 HB2 LEU A 13 -5.948 13.108 3.536 1.00 73.42 H new ATOM 0 HB3 LEU A 13 -5.389 11.537 2.996 1.00 73.42 H new ATOM 0 HG LEU A 13 -7.913 11.602 1.932 1.00 73.11 H new ATOM 0 HD11 LEU A 13 -8.197 13.792 0.840 1.00 22.21 H new ATOM 0 HD12 LEU A 13 -8.319 13.899 2.613 1.00 22.21 H new ATOM 0 HD13 LEU A 13 -6.834 14.432 1.789 1.00 22.21 H new ATOM 0 HD21 LEU A 13 -6.812 12.052 -0.215 1.00 21.23 H new ATOM 0 HD22 LEU A 13 -5.345 12.561 0.654 1.00 21.23 H new ATOM 0 HD23 LEU A 13 -5.912 10.879 0.776 1.00 21.23 H new ATOM 172 N ASP A 14 -8.538 13.064 5.378 1.00 74.33 N ATOM 173 CA ASP A 14 -9.838 13.638 5.560 1.00 32.15 C ATOM 174 C ASP A 14 -10.030 14.814 4.671 1.00 11.35 C ATOM 175 O ASP A 14 -9.304 15.798 4.731 1.00 62.31 O ATOM 176 CB ASP A 14 -10.195 13.976 6.995 1.00 61.02 C ATOM 177 CG ASP A 14 -11.606 14.537 7.068 1.00 10.24 C ATOM 178 OD1 ASP A 14 -12.524 13.988 6.382 1.00 61.41 O ATOM 179 OD2 ASP A 14 -11.837 15.510 7.804 1.00 63.44 O ATOM 0 H ASP A 14 -7.785 13.492 5.917 1.00 74.33 H new ATOM 0 HA ASP A 14 -10.536 12.850 5.276 1.00 32.15 H new ATOM 0 HB2 ASP A 14 -10.118 13.084 7.616 1.00 61.02 H new ATOM 0 HB3 ASP A 14 -9.486 14.703 7.392 1.00 61.02 H new ATOM 184 N ASP A 15 -10.985 14.681 3.827 1.00 15.02 N ATOM 185 CA ASP A 15 -11.327 15.693 2.859 1.00 54.20 C ATOM 186 C ASP A 15 -12.581 16.434 3.325 1.00 15.03 C ATOM 187 O ASP A 15 -12.971 17.458 2.774 1.00 53.33 O ATOM 188 CB ASP A 15 -11.574 14.989 1.520 1.00 1.25 C ATOM 189 CG ASP A 15 -12.063 15.873 0.386 1.00 70.04 C ATOM 190 OD1 ASP A 15 -11.222 16.423 -0.346 1.00 73.31 O ATOM 191 OD2 ASP A 15 -13.287 15.963 0.170 1.00 11.24 O ATOM 0 H ASP A 15 -11.574 13.850 3.777 1.00 15.02 H new ATOM 0 HA ASP A 15 -10.525 16.423 2.748 1.00 54.20 H new ATOM 0 HB2 ASP A 15 -10.646 14.510 1.207 1.00 1.25 H new ATOM 0 HB3 ASP A 15 -12.305 14.196 1.678 1.00 1.25 H new ATOM 196 N GLY A 16 -13.151 15.939 4.399 1.00 21.52 N ATOM 197 CA GLY A 16 -14.421 16.421 4.865 1.00 31.21 C ATOM 198 C GLY A 16 -15.429 15.317 4.751 1.00 70.03 C ATOM 199 O GLY A 16 -16.615 15.554 4.538 1.00 24.35 O ATOM 0 H GLY A 16 -12.747 15.195 4.968 1.00 21.52 H new ATOM 0 HA2 GLY A 16 -14.342 16.754 5.900 1.00 31.21 H new ATOM 0 HA3 GLY A 16 -14.737 17.282 4.276 1.00 31.21 H new ATOM 203 N SER A 17 -14.925 14.106 4.922 1.00 31.51 N ATOM 204 CA SER A 17 -15.649 12.859 4.783 1.00 53.04 C ATOM 205 C SER A 17 -14.605 11.766 4.861 1.00 71.24 C ATOM 206 O SER A 17 -14.678 10.869 5.694 1.00 45.21 O ATOM 207 CB SER A 17 -16.407 12.773 3.430 1.00 11.30 C ATOM 208 OG SER A 17 -17.149 11.562 3.322 1.00 35.31 O ATOM 0 H SER A 17 -13.947 13.962 5.175 1.00 31.51 H new ATOM 0 HA SER A 17 -16.405 12.769 5.563 1.00 53.04 H new ATOM 0 HB2 SER A 17 -17.082 13.624 3.335 1.00 11.30 H new ATOM 0 HB3 SER A 17 -15.694 12.838 2.608 1.00 11.30 H new ATOM 0 HG SER A 17 -17.615 11.540 2.460 1.00 35.31 H new ATOM 214 N GLY A 18 -13.607 11.875 4.001 1.00 34.54 N ATOM 215 CA GLY A 18 -12.519 10.952 4.044 1.00 44.24 C ATOM 216 C GLY A 18 -12.271 10.277 2.729 1.00 2.32 C ATOM 217 O GLY A 18 -12.967 9.324 2.378 1.00 71.31 O ATOM 0 H GLY A 18 -13.540 12.590 3.277 1.00 34.54 H new ATOM 0 HA2 GLY A 18 -11.615 11.478 4.352 1.00 44.24 H new ATOM 0 HA3 GLY A 18 -12.721 10.195 4.802 1.00 44.24 H new ATOM 221 N ARG A 19 -11.273 10.754 2.002 1.00 34.05 N ATOM 222 CA ARG A 19 -10.907 10.125 0.751 1.00 43.54 C ATOM 223 C ARG A 19 -9.954 9.019 1.058 1.00 30.53 C ATOM 224 O ARG A 19 -9.302 9.023 2.125 1.00 5.10 O ATOM 225 CB ARG A 19 -10.238 11.068 -0.256 1.00 34.45 C ATOM 226 CG ARG A 19 -11.045 12.292 -0.641 1.00 32.22 C ATOM 227 CD ARG A 19 -10.451 13.041 -1.842 1.00 64.35 C ATOM 228 NE ARG A 19 -8.981 13.190 -1.785 1.00 73.21 N ATOM 229 CZ ARG A 19 -8.305 14.356 -1.692 1.00 35.51 C ATOM 230 NH1 ARG A 19 -8.920 15.490 -1.352 1.00 64.32 N ATOM 231 NH2 ARG A 19 -6.994 14.369 -1.888 1.00 55.14 N ATOM 0 H ARG A 19 -10.710 11.566 2.256 1.00 34.05 H new ATOM 0 HA ARG A 19 -11.830 9.779 0.287 1.00 43.54 H new ATOM 0 HB2 ARG A 19 -9.286 11.398 0.159 1.00 34.45 H new ATOM 0 HB3 ARG A 19 -10.012 10.504 -1.161 1.00 34.45 H new ATOM 0 HG2 ARG A 19 -12.066 11.990 -0.875 1.00 32.22 H new ATOM 0 HG3 ARG A 19 -11.101 12.968 0.212 1.00 32.22 H new ATOM 0 HD2 ARG A 19 -10.718 12.512 -2.757 1.00 64.35 H new ATOM 0 HD3 ARG A 19 -10.905 14.030 -1.902 1.00 64.35 H new ATOM 0 HE ARG A 19 -8.427 12.334 -1.819 1.00 73.21 H new ATOM 0 HH11 ARG A 19 -9.921 15.488 -1.156 1.00 64.32 H new ATOM 0 HH12 ARG A 19 -8.389 16.359 -1.288 1.00 64.32 H new ATOM 0 HH21 ARG A 19 -6.503 13.503 -2.107 1.00 55.14 H new ATOM 0 HH22 ARG A 19 -6.477 15.245 -1.819 1.00 55.14 H new ATOM 245 N THR A 20 -9.850 8.096 0.163 1.00 22.34 N ATOM 246 CA THR A 20 -9.018 6.958 0.345 1.00 72.13 C ATOM 247 C THR A 20 -8.300 6.620 -0.952 1.00 1.04 C ATOM 248 O THR A 20 -8.889 6.720 -2.038 1.00 53.33 O ATOM 249 CB THR A 20 -9.861 5.746 0.803 1.00 23.03 C ATOM 250 OG1 THR A 20 -10.956 5.538 -0.110 1.00 13.42 O ATOM 251 CG2 THR A 20 -10.414 5.953 2.209 1.00 61.51 C ATOM 0 H THR A 20 -10.348 8.112 -0.727 1.00 22.34 H new ATOM 0 HA THR A 20 -8.280 7.189 1.113 1.00 72.13 H new ATOM 0 HB THR A 20 -9.210 4.872 0.812 1.00 23.03 H new ATOM 0 HG1 THR A 20 -11.486 4.768 0.184 1.00 13.42 H new ATOM 0 HG21 THR A 20 -11.002 5.083 2.501 1.00 61.51 H new ATOM 0 HG22 THR A 20 -9.589 6.084 2.909 1.00 61.51 H new ATOM 0 HG23 THR A 20 -11.047 6.840 2.224 1.00 61.51 H new ATOM 259 N TYR A 21 -7.047 6.279 -0.856 1.00 72.25 N ATOM 260 CA TYR A 21 -6.303 5.835 -2.003 1.00 50.04 C ATOM 261 C TYR A 21 -5.831 4.446 -1.711 1.00 62.43 C ATOM 262 O TYR A 21 -5.117 4.223 -0.733 1.00 31.24 O ATOM 263 CB TYR A 21 -5.119 6.765 -2.292 1.00 21.45 C ATOM 264 CG TYR A 21 -4.381 6.475 -3.598 1.00 51.14 C ATOM 265 CD1 TYR A 21 -4.911 6.887 -4.809 1.00 51.22 C ATOM 266 CD2 TYR A 21 -3.149 5.829 -3.614 1.00 21.13 C ATOM 267 CE1 TYR A 21 -4.250 6.675 -5.999 1.00 23.33 C ATOM 268 CE2 TYR A 21 -2.476 5.603 -4.808 1.00 55.42 C ATOM 269 CZ TYR A 21 -3.034 6.034 -5.998 1.00 43.42 C ATOM 270 OH TYR A 21 -2.367 5.830 -7.194 1.00 20.24 O ATOM 0 H TYR A 21 -6.514 6.300 0.013 1.00 72.25 H new ATOM 0 HA TYR A 21 -6.933 5.849 -2.892 1.00 50.04 H new ATOM 0 HB2 TYR A 21 -5.480 7.793 -2.316 1.00 21.45 H new ATOM 0 HB3 TYR A 21 -4.410 6.695 -1.467 1.00 21.45 H new ATOM 0 HD1 TYR A 21 -5.868 7.388 -4.821 1.00 51.22 H new ATOM 0 HD2 TYR A 21 -2.709 5.498 -2.685 1.00 21.13 H new ATOM 0 HE1 TYR A 21 -4.685 7.011 -6.929 1.00 23.33 H new ATOM 0 HE2 TYR A 21 -1.523 5.094 -4.807 1.00 55.42 H new ATOM 0 HH TYR A 21 -2.199 6.693 -7.626 1.00 20.24 H new ATOM 280 N GLN A 22 -6.258 3.515 -2.499 1.00 51.43 N ATOM 281 CA GLN A 22 -5.893 2.143 -2.282 1.00 12.25 C ATOM 282 C GLN A 22 -4.662 1.843 -3.094 1.00 4.12 C ATOM 283 O GLN A 22 -4.587 2.207 -4.278 1.00 22.02 O ATOM 284 CB GLN A 22 -7.038 1.213 -2.675 1.00 52.01 C ATOM 285 CG GLN A 22 -6.789 -0.261 -2.360 1.00 14.21 C ATOM 286 CD GLN A 22 -7.921 -1.144 -2.835 1.00 21.13 C ATOM 287 OE1 GLN A 22 -8.581 -0.844 -3.832 1.00 12.53 O ATOM 288 NE2 GLN A 22 -8.166 -2.213 -2.137 1.00 42.42 N ATOM 0 H GLN A 22 -6.863 3.675 -3.304 1.00 51.43 H new ATOM 0 HA GLN A 22 -5.685 1.979 -1.225 1.00 12.25 H new ATOM 0 HB2 GLN A 22 -7.944 1.534 -2.161 1.00 52.01 H new ATOM 0 HB3 GLN A 22 -7.224 1.317 -3.744 1.00 52.01 H new ATOM 0 HG2 GLN A 22 -5.859 -0.580 -2.831 1.00 14.21 H new ATOM 0 HG3 GLN A 22 -6.660 -0.385 -1.285 1.00 14.21 H new ATOM 0 HE21 GLN A 22 -7.598 -2.428 -1.318 1.00 42.42 H new ATOM 0 HE22 GLN A 22 -8.926 -2.836 -2.409 1.00 42.42 H new ATOM 297 N LEU A 23 -3.698 1.230 -2.479 1.00 1.35 N ATOM 298 CA LEU A 23 -2.478 0.904 -3.163 1.00 15.35 C ATOM 299 C LEU A 23 -2.681 -0.313 -4.030 1.00 21.12 C ATOM 300 O LEU A 23 -3.088 -1.376 -3.540 1.00 33.25 O ATOM 301 CB LEU A 23 -1.357 0.650 -2.167 1.00 24.30 C ATOM 302 CG LEU A 23 -0.999 1.811 -1.243 1.00 22.10 C ATOM 303 CD1 LEU A 23 0.098 1.393 -0.300 1.00 43.31 C ATOM 304 CD2 LEU A 23 -0.573 3.035 -2.045 1.00 31.41 C ATOM 0 H LEU A 23 -3.730 0.943 -1.501 1.00 1.35 H new ATOM 0 HA LEU A 23 -2.199 1.749 -3.792 1.00 15.35 H new ATOM 0 HB2 LEU A 23 -1.634 -0.205 -1.551 1.00 24.30 H new ATOM 0 HB3 LEU A 23 -0.463 0.366 -2.723 1.00 24.30 H new ATOM 0 HG LEU A 23 -1.883 2.080 -0.665 1.00 22.10 H new ATOM 0 HD11 LEU A 23 0.350 2.225 0.357 1.00 43.31 H new ATOM 0 HD12 LEU A 23 -0.240 0.547 0.299 1.00 43.31 H new ATOM 0 HD13 LEU A 23 0.979 1.104 -0.872 1.00 43.31 H new ATOM 0 HD21 LEU A 23 -0.323 3.848 -1.363 1.00 31.41 H new ATOM 0 HD22 LEU A 23 0.299 2.788 -2.650 1.00 31.41 H new ATOM 0 HD23 LEU A 23 -1.390 3.346 -2.696 1.00 31.41 H new ATOM 316 N ARG A 24 -2.434 -0.159 -5.301 1.00 62.34 N ATOM 317 CA ARG A 24 -2.525 -1.259 -6.228 1.00 45.04 C ATOM 318 C ARG A 24 -1.196 -1.989 -6.218 1.00 2.23 C ATOM 319 O ARG A 24 -0.204 -1.441 -5.696 1.00 43.31 O ATOM 320 CB ARG A 24 -2.863 -0.754 -7.627 1.00 55.03 C ATOM 321 CG ARG A 24 -1.802 0.142 -8.215 1.00 70.13 C ATOM 322 CD ARG A 24 -2.237 0.736 -9.531 1.00 51.32 C ATOM 323 NE ARG A 24 -3.446 1.559 -9.389 1.00 15.03 N ATOM 324 CZ ARG A 24 -3.487 2.820 -8.927 1.00 64.45 C ATOM 325 NH1 ARG A 24 -2.397 3.398 -8.421 1.00 21.14 N ATOM 326 NH2 ARG A 24 -4.629 3.477 -8.935 1.00 73.22 N ATOM 0 H ARG A 24 -2.165 0.729 -5.725 1.00 62.34 H new ATOM 0 HA ARG A 24 -3.323 -1.940 -5.931 1.00 45.04 H new ATOM 0 HB2 ARG A 24 -3.013 -1.609 -8.287 1.00 55.03 H new ATOM 0 HB3 ARG A 24 -3.807 -0.210 -7.590 1.00 55.03 H new ATOM 0 HG2 ARG A 24 -1.573 0.943 -7.513 1.00 70.13 H new ATOM 0 HG3 ARG A 24 -0.884 -0.428 -8.359 1.00 70.13 H new ATOM 0 HD2 ARG A 24 -1.430 1.344 -9.939 1.00 51.32 H new ATOM 0 HD3 ARG A 24 -2.425 -0.065 -10.246 1.00 51.32 H new ATOM 0 HE ARG A 24 -4.332 1.136 -9.665 1.00 15.03 H new ATOM 0 HH11 ARG A 24 -1.518 2.882 -8.381 1.00 21.14 H new ATOM 0 HH12 ARG A 24 -2.442 4.356 -8.074 1.00 21.14 H new ATOM 0 HH21 ARG A 24 -5.473 3.028 -9.290 1.00 73.22 H new ATOM 0 HH22 ARG A 24 -4.669 4.435 -8.586 1.00 73.22 H new ATOM 340 N GLU A 25 -1.159 -3.171 -6.792 1.00 73.02 N ATOM 341 CA GLU A 25 0.037 -3.995 -6.770 1.00 65.45 C ATOM 342 C GLU A 25 1.126 -3.327 -7.613 1.00 43.52 C ATOM 343 O GLU A 25 0.908 -3.017 -8.791 1.00 21.24 O ATOM 344 CB GLU A 25 -0.261 -5.402 -7.309 1.00 24.12 C ATOM 345 CG GLU A 25 -1.471 -6.110 -6.673 1.00 24.31 C ATOM 346 CD GLU A 25 -1.424 -6.202 -5.163 1.00 42.32 C ATOM 347 OE1 GLU A 25 -0.545 -6.908 -4.619 1.00 73.24 O ATOM 348 OE2 GLU A 25 -2.300 -5.580 -4.490 1.00 63.25 O ATOM 0 H GLU A 25 -1.948 -3.589 -7.284 1.00 73.02 H new ATOM 0 HA GLU A 25 0.381 -4.093 -5.740 1.00 65.45 H new ATOM 0 HB2 GLU A 25 -0.426 -5.333 -8.384 1.00 24.12 H new ATOM 0 HB3 GLU A 25 0.622 -6.024 -7.161 1.00 24.12 H new ATOM 0 HG2 GLU A 25 -2.379 -5.582 -6.964 1.00 24.31 H new ATOM 0 HG3 GLU A 25 -1.543 -7.117 -7.083 1.00 24.31 H new ATOM 355 N GLY A 26 2.260 -3.075 -7.009 1.00 40.42 N ATOM 356 CA GLY A 26 3.328 -2.387 -7.682 1.00 33.22 C ATOM 357 C GLY A 26 3.686 -1.130 -6.932 1.00 4.42 C ATOM 358 O GLY A 26 3.303 -0.968 -5.768 1.00 21.31 O ATOM 0 H GLY A 26 2.466 -3.339 -6.046 1.00 40.42 H new ATOM 0 HA2 GLY A 26 4.200 -3.037 -7.756 1.00 33.22 H new ATOM 0 HA3 GLY A 26 3.027 -2.140 -8.700 1.00 33.22 H new ATOM 362 N SER A 27 4.395 -0.233 -7.550 1.00 22.22 N ATOM 363 CA SER A 27 4.760 0.965 -6.870 1.00 42.01 C ATOM 364 C SER A 27 3.844 2.124 -7.246 1.00 53.15 C ATOM 365 O SER A 27 3.419 2.270 -8.401 1.00 71.13 O ATOM 366 CB SER A 27 6.236 1.280 -7.062 1.00 50.44 C ATOM 367 OG SER A 27 6.573 1.339 -8.442 1.00 41.41 O ATOM 0 H SER A 27 4.727 -0.309 -8.512 1.00 22.22 H new ATOM 0 HA SER A 27 4.618 0.806 -5.801 1.00 42.01 H new ATOM 0 HB2 SER A 27 6.473 2.232 -6.586 1.00 50.44 H new ATOM 0 HB3 SER A 27 6.840 0.518 -6.569 1.00 50.44 H new ATOM 0 HG SER A 27 7.526 1.545 -8.537 1.00 41.41 H new ATOM 373 N ASN A 28 3.530 2.918 -6.268 1.00 31.51 N ATOM 374 CA ASN A 28 2.628 4.029 -6.396 1.00 45.43 C ATOM 375 C ASN A 28 3.386 5.260 -5.969 1.00 51.24 C ATOM 376 O ASN A 28 3.830 5.352 -4.831 1.00 31.44 O ATOM 377 CB ASN A 28 1.386 3.815 -5.492 1.00 11.13 C ATOM 378 CG ASN A 28 0.586 2.552 -5.841 1.00 61.24 C ATOM 379 OD1 ASN A 28 -0.346 2.590 -6.639 1.00 44.13 O ATOM 380 ND2 ASN A 28 0.951 1.427 -5.246 1.00 44.31 N ATOM 0 H ASN A 28 3.906 2.809 -5.326 1.00 31.51 H new ATOM 0 HA ASN A 28 2.274 4.131 -7.422 1.00 45.43 H new ATOM 0 HB2 ASN A 28 1.709 3.756 -4.453 1.00 11.13 H new ATOM 0 HB3 ASN A 28 0.733 4.684 -5.574 1.00 11.13 H new ATOM 0 HD21 ASN A 28 0.453 0.559 -5.446 1.00 44.31 H new ATOM 0 HD22 ASN A 28 1.730 1.428 -4.587 1.00 44.31 H new ATOM 387 N ILE A 29 3.592 6.163 -6.884 1.00 13.43 N ATOM 388 CA ILE A 29 4.397 7.346 -6.626 1.00 62.24 C ATOM 389 C ILE A 29 3.521 8.551 -6.268 1.00 42.25 C ATOM 390 O ILE A 29 2.525 8.811 -6.927 1.00 72.52 O ATOM 391 CB ILE A 29 5.283 7.668 -7.865 1.00 1.34 C ATOM 392 CG1 ILE A 29 6.198 6.465 -8.175 1.00 55.42 C ATOM 393 CG2 ILE A 29 6.109 8.940 -7.649 1.00 63.24 C ATOM 394 CD1 ILE A 29 7.065 6.634 -9.404 1.00 63.22 C ATOM 0 H ILE A 29 3.213 6.111 -7.830 1.00 13.43 H new ATOM 0 HA ILE A 29 5.040 7.138 -5.771 1.00 62.24 H new ATOM 0 HB ILE A 29 4.630 7.849 -8.719 1.00 1.34 H new ATOM 0 HG12 ILE A 29 6.842 6.283 -7.314 1.00 55.42 H new ATOM 0 HG13 ILE A 29 5.579 5.577 -8.303 1.00 55.42 H new ATOM 0 HG21 ILE A 29 6.715 9.135 -8.534 1.00 63.24 H new ATOM 0 HG22 ILE A 29 5.440 9.783 -7.475 1.00 63.24 H new ATOM 0 HG23 ILE A 29 6.760 8.809 -6.785 1.00 63.24 H new ATOM 0 HD11 ILE A 29 7.674 5.741 -9.545 1.00 63.22 H new ATOM 0 HD12 ILE A 29 6.432 6.783 -10.278 1.00 63.22 H new ATOM 0 HD13 ILE A 29 7.714 7.500 -9.275 1.00 63.22 H new ATOM 406 N ILE A 30 3.898 9.248 -5.237 1.00 20.51 N ATOM 407 CA ILE A 30 3.221 10.440 -4.780 1.00 21.03 C ATOM 408 C ILE A 30 4.093 11.655 -5.114 1.00 61.44 C ATOM 409 O ILE A 30 5.321 11.620 -4.922 1.00 42.35 O ATOM 410 CB ILE A 30 2.950 10.377 -3.231 1.00 53.45 C ATOM 411 CG1 ILE A 30 1.963 9.235 -2.893 1.00 72.03 C ATOM 412 CG2 ILE A 30 2.477 11.717 -2.676 1.00 25.23 C ATOM 413 CD1 ILE A 30 1.655 9.077 -1.415 1.00 62.33 C ATOM 0 H ILE A 30 4.709 9.001 -4.669 1.00 20.51 H new ATOM 0 HA ILE A 30 2.257 10.520 -5.282 1.00 21.03 H new ATOM 0 HB ILE A 30 3.898 10.157 -2.740 1.00 53.45 H new ATOM 0 HG12 ILE A 30 1.029 9.410 -3.428 1.00 72.03 H new ATOM 0 HG13 ILE A 30 2.373 8.297 -3.267 1.00 72.03 H new ATOM 0 HG21 ILE A 30 2.303 11.626 -1.604 1.00 25.23 H new ATOM 0 HG22 ILE A 30 3.239 12.475 -2.856 1.00 25.23 H new ATOM 0 HG23 ILE A 30 1.551 12.009 -3.171 1.00 25.23 H new ATOM 0 HD11 ILE A 30 0.955 8.253 -1.275 1.00 62.33 H new ATOM 0 HD12 ILE A 30 2.576 8.867 -0.872 1.00 62.33 H new ATOM 0 HD13 ILE A 30 1.212 9.998 -1.035 1.00 62.33 H new ATOM 425 N GLY A 31 3.485 12.679 -5.660 1.00 0.21 N ATOM 426 CA GLY A 31 4.191 13.892 -5.969 1.00 24.21 C ATOM 427 C GLY A 31 3.455 14.685 -6.994 1.00 53.50 C ATOM 428 O GLY A 31 2.249 14.504 -7.165 1.00 15.14 O ATOM 0 H GLY A 31 2.494 12.693 -5.900 1.00 0.21 H new ATOM 0 HA2 GLY A 31 4.316 14.486 -5.064 1.00 24.21 H new ATOM 0 HA3 GLY A 31 5.190 13.654 -6.335 1.00 24.21 H new ATOM 432 N ARG A 32 4.128 15.595 -7.642 1.00 40.41 N ATOM 433 CA ARG A 32 3.514 16.328 -8.723 1.00 62.42 C ATOM 434 C ARG A 32 4.355 16.140 -9.953 1.00 33.45 C ATOM 435 O ARG A 32 5.438 16.719 -10.067 1.00 5.12 O ATOM 436 CB ARG A 32 3.443 17.819 -8.418 1.00 55.25 C ATOM 437 CG ARG A 32 2.790 18.173 -7.110 1.00 13.33 C ATOM 438 CD ARG A 32 2.760 19.681 -6.917 1.00 73.52 C ATOM 439 NE ARG A 32 4.113 20.278 -7.013 1.00 4.21 N ATOM 440 CZ ARG A 32 4.373 21.591 -7.024 1.00 75.31 C ATOM 441 NH1 ARG A 32 3.410 22.455 -6.750 1.00 21.23 N ATOM 442 NH2 ARG A 32 5.615 22.029 -7.247 1.00 2.15 N ATOM 0 H ARG A 32 5.096 15.849 -7.445 1.00 40.41 H new ATOM 0 HA ARG A 32 2.500 15.955 -8.864 1.00 62.42 H new ATOM 0 HB2 ARG A 32 4.455 18.223 -8.422 1.00 55.25 H new ATOM 0 HB3 ARG A 32 2.899 18.313 -9.223 1.00 55.25 H new ATOM 0 HG2 ARG A 32 1.775 17.778 -7.086 1.00 13.33 H new ATOM 0 HG3 ARG A 32 3.333 17.707 -6.288 1.00 13.33 H new ATOM 0 HD2 ARG A 32 2.111 20.130 -7.669 1.00 73.52 H new ATOM 0 HD3 ARG A 32 2.329 19.914 -5.943 1.00 73.52 H new ATOM 0 HE ARG A 32 4.906 19.640 -7.075 1.00 4.21 H new ATOM 0 HH11 ARG A 32 2.472 22.120 -6.531 1.00 21.23 H new ATOM 0 HH12 ARG A 32 3.606 23.456 -6.758 1.00 21.23 H new ATOM 0 HH21 ARG A 32 6.369 21.362 -7.410 1.00 2.15 H new ATOM 0 HH22 ARG A 32 5.809 23.030 -7.255 1.00 2.15 H new ATOM 456 N GLY A 33 3.876 15.351 -10.851 1.00 60.14 N ATOM 457 CA GLY A 33 4.569 15.100 -12.063 1.00 63.51 C ATOM 458 C GLY A 33 3.812 14.104 -12.861 1.00 74.54 C ATOM 459 O GLY A 33 2.741 13.666 -12.433 1.00 71.13 O ATOM 0 H GLY A 33 2.987 14.859 -10.763 1.00 60.14 H new ATOM 0 HA2 GLY A 33 4.684 16.025 -12.628 1.00 63.51 H new ATOM 0 HA3 GLY A 33 5.572 14.728 -11.852 1.00 63.51 H new ATOM 463 N GLN A 34 4.357 13.710 -13.973 1.00 42.22 N ATOM 464 CA GLN A 34 3.710 12.754 -14.846 1.00 15.34 C ATOM 465 C GLN A 34 4.094 11.345 -14.426 1.00 15.42 C ATOM 466 O GLN A 34 3.459 10.367 -14.811 1.00 44.32 O ATOM 467 CB GLN A 34 4.130 12.992 -16.289 1.00 62.41 C ATOM 468 CG GLN A 34 3.857 14.397 -16.799 1.00 30.31 C ATOM 469 CD GLN A 34 4.280 14.576 -18.240 1.00 35.33 C ATOM 470 OE1 GLN A 34 4.244 13.635 -19.038 1.00 34.44 O ATOM 471 NE2 GLN A 34 4.692 15.761 -18.589 1.00 52.33 N ATOM 0 H GLN A 34 5.263 14.038 -14.308 1.00 42.22 H new ATOM 0 HA GLN A 34 2.630 12.876 -14.770 1.00 15.34 H new ATOM 0 HB2 GLN A 34 5.196 12.785 -16.383 1.00 62.41 H new ATOM 0 HB3 GLN A 34 3.609 12.279 -16.928 1.00 62.41 H new ATOM 0 HG2 GLN A 34 2.793 14.615 -16.705 1.00 30.31 H new ATOM 0 HG3 GLN A 34 4.386 15.117 -16.175 1.00 30.31 H new ATOM 0 HE21 GLN A 34 4.709 16.517 -17.905 1.00 52.33 H new ATOM 0 HE22 GLN A 34 4.997 15.933 -19.547 1.00 52.33 H new ATOM 480 N ASP A 35 5.138 11.251 -13.632 1.00 71.03 N ATOM 481 CA ASP A 35 5.627 9.964 -13.148 1.00 72.23 C ATOM 482 C ASP A 35 4.934 9.609 -11.828 1.00 41.13 C ATOM 483 O ASP A 35 5.080 8.519 -11.294 1.00 71.42 O ATOM 484 CB ASP A 35 7.157 10.020 -12.989 1.00 71.10 C ATOM 485 CG ASP A 35 7.813 8.666 -12.792 1.00 41.10 C ATOM 486 OD1 ASP A 35 7.437 7.702 -13.497 1.00 45.25 O ATOM 487 OD2 ASP A 35 8.780 8.565 -12.018 1.00 63.41 O ATOM 0 H ASP A 35 5.673 12.054 -13.302 1.00 71.03 H new ATOM 0 HA ASP A 35 5.391 9.182 -13.869 1.00 72.23 H new ATOM 0 HB2 ASP A 35 7.586 10.493 -13.872 1.00 71.10 H new ATOM 0 HB3 ASP A 35 7.399 10.656 -12.137 1.00 71.10 H new ATOM 492 N ALA A 36 4.154 10.535 -11.328 1.00 75.14 N ATOM 493 CA ALA A 36 3.410 10.330 -10.104 1.00 75.12 C ATOM 494 C ALA A 36 2.092 9.591 -10.386 1.00 24.42 C ATOM 495 O ALA A 36 1.479 9.769 -11.431 1.00 44.23 O ATOM 496 CB ALA A 36 3.143 11.663 -9.418 1.00 71.42 C ATOM 0 H ALA A 36 4.015 11.451 -11.755 1.00 75.14 H new ATOM 0 HA ALA A 36 4.009 9.711 -9.436 1.00 75.12 H new ATOM 0 HB1 ALA A 36 2.583 11.493 -8.499 1.00 71.42 H new ATOM 0 HB2 ALA A 36 4.091 12.147 -9.181 1.00 71.42 H new ATOM 0 HB3 ALA A 36 2.564 12.305 -10.082 1.00 71.42 H new ATOM 502 N GLN A 37 1.687 8.756 -9.457 1.00 61.21 N ATOM 503 CA GLN A 37 0.450 7.993 -9.537 1.00 3.32 C ATOM 504 C GLN A 37 -0.588 8.597 -8.604 1.00 11.40 C ATOM 505 O GLN A 37 -1.769 8.249 -8.632 1.00 54.13 O ATOM 506 CB GLN A 37 0.711 6.545 -9.133 1.00 4.20 C ATOM 507 CG GLN A 37 1.533 5.748 -10.132 1.00 74.35 C ATOM 508 CD GLN A 37 0.824 5.617 -11.462 1.00 75.01 C ATOM 509 OE1 GLN A 37 0.054 4.690 -11.670 1.00 60.11 O ATOM 510 NE2 GLN A 37 1.066 6.529 -12.360 1.00 72.44 N ATOM 0 H GLN A 37 2.216 8.580 -8.603 1.00 61.21 H new ATOM 0 HA GLN A 37 0.079 8.023 -10.561 1.00 3.32 H new ATOM 0 HB2 GLN A 37 1.224 6.537 -8.171 1.00 4.20 H new ATOM 0 HB3 GLN A 37 -0.246 6.044 -8.988 1.00 4.20 H new ATOM 0 HG2 GLN A 37 2.497 6.234 -10.280 1.00 74.35 H new ATOM 0 HG3 GLN A 37 1.735 4.756 -9.728 1.00 74.35 H new ATOM 0 HE21 GLN A 37 1.714 7.289 -12.153 1.00 72.44 H new ATOM 0 HE22 GLN A 37 0.607 6.483 -13.270 1.00 72.44 H new ATOM 519 N PHE A 38 -0.121 9.466 -7.766 1.00 14.24 N ATOM 520 CA PHE A 38 -0.920 10.180 -6.818 1.00 11.34 C ATOM 521 C PHE A 38 -0.386 11.587 -6.805 1.00 31.23 C ATOM 522 O PHE A 38 0.805 11.802 -6.556 1.00 4.00 O ATOM 523 CB PHE A 38 -0.780 9.517 -5.445 1.00 63.24 C ATOM 524 CG PHE A 38 -1.547 10.153 -4.308 1.00 41.33 C ATOM 525 CD1 PHE A 38 -1.018 11.223 -3.614 1.00 24.43 C ATOM 526 CD2 PHE A 38 -2.758 9.640 -3.898 1.00 62.52 C ATOM 527 CE1 PHE A 38 -1.670 11.771 -2.545 1.00 11.10 C ATOM 528 CE2 PHE A 38 -3.434 10.192 -2.826 1.00 32.04 C ATOM 529 CZ PHE A 38 -2.886 11.259 -2.146 1.00 1.40 C ATOM 0 H PHE A 38 0.869 9.709 -7.720 1.00 14.24 H new ATOM 0 HA PHE A 38 -1.980 10.177 -7.074 1.00 11.34 H new ATOM 0 HB2 PHE A 38 -1.099 8.479 -5.533 1.00 63.24 H new ATOM 0 HB3 PHE A 38 0.277 9.504 -5.179 1.00 63.24 H new ATOM 0 HD1 PHE A 38 -0.069 11.636 -3.922 1.00 24.43 H new ATOM 0 HD2 PHE A 38 -3.184 8.796 -4.420 1.00 62.52 H new ATOM 0 HE1 PHE A 38 -1.233 12.604 -2.014 1.00 11.10 H new ATOM 0 HE2 PHE A 38 -4.389 9.789 -2.522 1.00 32.04 H new ATOM 0 HZ PHE A 38 -3.407 11.692 -1.305 1.00 1.40 H new ATOM 539 N ARG A 39 -1.227 12.521 -7.096 1.00 71.41 N ATOM 540 CA ARG A 39 -0.804 13.880 -7.243 1.00 33.34 C ATOM 541 C ARG A 39 -1.106 14.691 -6.000 1.00 44.11 C ATOM 542 O ARG A 39 -2.213 14.626 -5.454 1.00 3.24 O ATOM 543 CB ARG A 39 -1.480 14.500 -8.468 1.00 23.42 C ATOM 544 CG ARG A 39 -1.066 15.930 -8.754 1.00 50.23 C ATOM 545 CD ARG A 39 -1.722 16.449 -10.013 1.00 64.14 C ATOM 546 NE ARG A 39 -1.276 17.802 -10.325 1.00 33.34 N ATOM 547 CZ ARG A 39 -1.110 18.296 -11.554 1.00 1.31 C ATOM 548 NH1 ARG A 39 -1.497 17.596 -12.623 1.00 72.42 N ATOM 549 NH2 ARG A 39 -0.591 19.510 -11.710 1.00 12.50 N ATOM 0 H ARG A 39 -2.225 12.369 -7.239 1.00 71.41 H new ATOM 0 HA ARG A 39 0.277 13.891 -7.385 1.00 33.34 H new ATOM 0 HB2 ARG A 39 -1.255 13.888 -9.341 1.00 23.42 H new ATOM 0 HB3 ARG A 39 -2.560 14.469 -8.327 1.00 23.42 H new ATOM 0 HG2 ARG A 39 -1.338 16.565 -7.911 1.00 50.23 H new ATOM 0 HG3 ARG A 39 0.018 15.984 -8.857 1.00 50.23 H new ATOM 0 HD2 ARG A 39 -1.489 15.786 -10.846 1.00 64.14 H new ATOM 0 HD3 ARG A 39 -2.805 16.440 -9.891 1.00 64.14 H new ATOM 0 HE ARG A 39 -1.074 18.421 -9.540 1.00 33.34 H new ATOM 0 HH11 ARG A 39 -1.923 16.677 -12.504 1.00 72.42 H new ATOM 0 HH12 ARG A 39 -1.367 17.980 -13.559 1.00 72.42 H new ATOM 0 HH21 ARG A 39 -0.322 20.058 -10.893 1.00 12.50 H new ATOM 0 HH22 ARG A 39 -0.462 19.893 -12.647 1.00 12.50 H new ATOM 563 N LEU A 40 -0.121 15.418 -5.541 1.00 42.11 N ATOM 564 CA LEU A 40 -0.311 16.325 -4.442 1.00 2.13 C ATOM 565 C LEU A 40 -0.669 17.694 -4.974 1.00 74.51 C ATOM 566 O LEU A 40 -0.101 18.138 -5.960 1.00 22.04 O ATOM 567 CB LEU A 40 0.924 16.422 -3.544 1.00 25.43 C ATOM 568 CG LEU A 40 1.240 15.203 -2.683 1.00 72.04 C ATOM 569 CD1 LEU A 40 2.480 15.459 -1.862 1.00 52.32 C ATOM 570 CD2 LEU A 40 0.071 14.880 -1.762 1.00 45.14 C ATOM 0 H LEU A 40 0.828 15.398 -5.915 1.00 42.11 H new ATOM 0 HA LEU A 40 -1.124 15.934 -3.830 1.00 2.13 H new ATOM 0 HB2 LEU A 40 1.789 16.627 -4.175 1.00 25.43 H new ATOM 0 HB3 LEU A 40 0.800 17.281 -2.885 1.00 25.43 H new ATOM 0 HG LEU A 40 1.412 14.351 -3.341 1.00 72.04 H new ATOM 0 HD11 LEU A 40 2.698 14.584 -1.250 1.00 52.32 H new ATOM 0 HD12 LEU A 40 3.322 15.657 -2.526 1.00 52.32 H new ATOM 0 HD13 LEU A 40 2.317 16.322 -1.216 1.00 52.32 H new ATOM 0 HD21 LEU A 40 0.316 14.008 -1.156 1.00 45.14 H new ATOM 0 HD22 LEU A 40 -0.125 15.731 -1.110 1.00 45.14 H new ATOM 0 HD23 LEU A 40 -0.816 14.669 -2.360 1.00 45.14 H new ATOM 582 N PRO A 41 -1.616 18.371 -4.347 1.00 74.44 N ATOM 583 CA PRO A 41 -2.040 19.705 -4.755 1.00 33.22 C ATOM 584 C PRO A 41 -1.275 20.797 -4.002 1.00 23.25 C ATOM 585 O PRO A 41 -1.642 21.982 -4.041 1.00 1.05 O ATOM 586 CB PRO A 41 -3.506 19.712 -4.337 1.00 72.50 C ATOM 587 CG PRO A 41 -3.551 18.865 -3.103 1.00 11.50 C ATOM 588 CD PRO A 41 -2.394 17.887 -3.194 1.00 61.20 C ATOM 0 HA PRO A 41 -1.867 19.904 -5.813 1.00 33.22 H new ATOM 0 HB2 PRO A 41 -3.856 20.724 -4.136 1.00 72.50 H new ATOM 0 HB3 PRO A 41 -4.144 19.304 -5.121 1.00 72.50 H new ATOM 0 HG2 PRO A 41 -3.465 19.482 -2.208 1.00 11.50 H new ATOM 0 HG3 PRO A 41 -4.500 18.334 -3.034 1.00 11.50 H new ATOM 0 HD2 PRO A 41 -1.798 17.886 -2.281 1.00 61.20 H new ATOM 0 HD3 PRO A 41 -2.744 16.866 -3.347 1.00 61.20 H new ATOM 596 N ASP A 42 -0.218 20.397 -3.328 1.00 14.30 N ATOM 597 CA ASP A 42 0.541 21.303 -2.497 1.00 62.05 C ATOM 598 C ASP A 42 1.703 21.893 -3.297 1.00 1.30 C ATOM 599 O ASP A 42 1.806 21.660 -4.505 1.00 13.23 O ATOM 600 CB ASP A 42 1.038 20.598 -1.238 1.00 43.11 C ATOM 601 CG ASP A 42 1.268 21.582 -0.120 1.00 43.03 C ATOM 602 OD1 ASP A 42 0.279 21.995 0.526 1.00 50.53 O ATOM 603 OD2 ASP A 42 2.410 22.012 0.088 1.00 10.14 O ATOM 0 H ASP A 42 0.137 19.441 -3.341 1.00 14.30 H new ATOM 0 HA ASP A 42 -0.109 22.119 -2.180 1.00 62.05 H new ATOM 0 HB2 ASP A 42 0.309 19.850 -0.924 1.00 43.11 H new ATOM 0 HB3 ASP A 42 1.965 20.068 -1.456 1.00 43.11 H new ATOM 608 N THR A 43 2.564 22.628 -2.653 1.00 72.43 N ATOM 609 CA THR A 43 3.615 23.326 -3.334 1.00 33.40 C ATOM 610 C THR A 43 4.997 22.757 -2.955 1.00 24.03 C ATOM 611 O THR A 43 5.162 22.177 -1.882 1.00 61.15 O ATOM 612 CB THR A 43 3.522 24.862 -3.040 1.00 44.30 C ATOM 613 OG1 THR A 43 4.547 25.589 -3.720 1.00 14.22 O ATOM 614 CG2 THR A 43 3.593 25.154 -1.546 1.00 50.20 C ATOM 0 H THR A 43 2.557 22.760 -1.642 1.00 72.43 H new ATOM 0 HA THR A 43 3.492 23.179 -4.407 1.00 33.40 H new ATOM 0 HB THR A 43 2.552 25.192 -3.413 1.00 44.30 H new ATOM 0 HG1 THR A 43 4.460 26.544 -3.517 1.00 14.22 H new ATOM 0 HG21 THR A 43 3.525 26.229 -1.382 1.00 50.20 H new ATOM 0 HG22 THR A 43 2.766 24.657 -1.038 1.00 50.20 H new ATOM 0 HG23 THR A 43 4.538 24.785 -1.148 1.00 50.20 H new ATOM 622 N GLY A 44 5.966 22.879 -3.867 1.00 41.01 N ATOM 623 CA GLY A 44 7.339 22.429 -3.611 1.00 63.02 C ATOM 624 C GLY A 44 7.495 20.927 -3.715 1.00 71.23 C ATOM 625 O GLY A 44 8.542 20.363 -3.362 1.00 53.31 O ATOM 0 H GLY A 44 5.825 23.286 -4.791 1.00 41.01 H new ATOM 0 HA2 GLY A 44 8.012 22.909 -4.321 1.00 63.02 H new ATOM 0 HA3 GLY A 44 7.643 22.753 -2.615 1.00 63.02 H new ATOM 629 N VAL A 45 6.457 20.284 -4.183 1.00 72.13 N ATOM 630 CA VAL A 45 6.445 18.856 -4.316 1.00 30.23 C ATOM 631 C VAL A 45 6.999 18.471 -5.674 1.00 32.40 C ATOM 632 O VAL A 45 6.405 18.794 -6.714 1.00 70.21 O ATOM 633 CB VAL A 45 5.018 18.287 -4.166 1.00 72.32 C ATOM 634 CG1 VAL A 45 5.020 16.787 -4.243 1.00 35.33 C ATOM 635 CG2 VAL A 45 4.383 18.741 -2.876 1.00 1.53 C ATOM 0 H VAL A 45 5.595 20.740 -4.483 1.00 72.13 H new ATOM 0 HA VAL A 45 7.064 18.437 -3.523 1.00 30.23 H new ATOM 0 HB VAL A 45 4.426 18.673 -4.996 1.00 72.32 H new ATOM 0 HG11 VAL A 45 4.001 16.416 -4.134 1.00 35.33 H new ATOM 0 HG12 VAL A 45 5.420 16.473 -5.207 1.00 35.33 H new ATOM 0 HG13 VAL A 45 5.641 16.382 -3.444 1.00 35.33 H new ATOM 0 HG21 VAL A 45 3.379 18.324 -2.798 1.00 1.53 H new ATOM 0 HG22 VAL A 45 4.984 18.398 -2.034 1.00 1.53 H new ATOM 0 HG23 VAL A 45 4.326 19.829 -2.862 1.00 1.53 H new ATOM 645 N SER A 46 8.119 17.812 -5.654 1.00 23.32 N ATOM 646 CA SER A 46 8.810 17.346 -6.838 1.00 71.12 C ATOM 647 C SER A 46 7.958 16.291 -7.598 1.00 23.11 C ATOM 648 O SER A 46 6.862 15.917 -7.135 1.00 24.12 O ATOM 649 CB SER A 46 10.124 16.745 -6.361 1.00 42.24 C ATOM 650 OG SER A 46 10.796 17.665 -5.490 1.00 40.32 O ATOM 0 H SER A 46 8.600 17.572 -4.787 1.00 23.32 H new ATOM 0 HA SER A 46 8.986 18.164 -7.537 1.00 71.12 H new ATOM 0 HB2 SER A 46 9.936 15.807 -5.838 1.00 42.24 H new ATOM 0 HB3 SER A 46 10.758 16.511 -7.216 1.00 42.24 H new ATOM 0 HG SER A 46 11.640 17.270 -5.186 1.00 40.32 H new ATOM 656 N ARG A 47 8.443 15.816 -8.759 1.00 21.14 N ATOM 657 CA ARG A 47 7.700 14.798 -9.527 1.00 2.24 C ATOM 658 C ARG A 47 7.601 13.513 -8.719 1.00 42.30 C ATOM 659 O ARG A 47 6.607 12.797 -8.769 1.00 1.12 O ATOM 660 CB ARG A 47 8.324 14.524 -10.910 1.00 22.21 C ATOM 661 CG ARG A 47 9.741 13.981 -10.868 1.00 41.14 C ATOM 662 CD ARG A 47 10.241 13.582 -12.238 1.00 74.14 C ATOM 663 NE ARG A 47 11.595 13.030 -12.152 1.00 54.33 N ATOM 664 CZ ARG A 47 11.934 11.764 -12.450 1.00 30.31 C ATOM 665 NH1 ARG A 47 11.023 10.926 -12.962 1.00 2.41 N ATOM 666 NH2 ARG A 47 13.183 11.351 -12.259 1.00 41.14 N ATOM 0 H ARG A 47 9.324 16.111 -9.179 1.00 21.14 H new ATOM 0 HA ARG A 47 6.701 15.192 -9.710 1.00 2.24 H new ATOM 0 HB2 ARG A 47 7.693 13.814 -11.445 1.00 22.21 H new ATOM 0 HB3 ARG A 47 8.321 15.450 -11.485 1.00 22.21 H new ATOM 0 HG2 ARG A 47 10.405 14.736 -10.446 1.00 41.14 H new ATOM 0 HG3 ARG A 47 9.778 13.117 -10.204 1.00 41.14 H new ATOM 0 HD2 ARG A 47 9.569 12.844 -12.676 1.00 74.14 H new ATOM 0 HD3 ARG A 47 10.237 14.449 -12.899 1.00 74.14 H new ATOM 0 HE ARG A 47 12.339 13.655 -11.842 1.00 54.33 H new ATOM 0 HH11 ARG A 47 10.069 11.248 -13.127 1.00 2.41 H new ATOM 0 HH12 ARG A 47 11.283 9.966 -13.187 1.00 2.41 H new ATOM 0 HH21 ARG A 47 13.882 11.994 -11.887 1.00 41.14 H new ATOM 0 HH22 ARG A 47 13.443 10.391 -12.484 1.00 41.14 H new ATOM 680 N ARG A 48 8.642 13.254 -7.978 1.00 5.01 N ATOM 681 CA ARG A 48 8.700 12.176 -7.063 1.00 71.41 C ATOM 682 C ARG A 48 8.946 12.745 -5.710 1.00 62.05 C ATOM 683 O ARG A 48 10.002 13.296 -5.452 1.00 13.33 O ATOM 684 CB ARG A 48 9.801 11.188 -7.434 1.00 73.44 C ATOM 685 CG ARG A 48 9.426 10.216 -8.535 1.00 64.13 C ATOM 686 CD ARG A 48 10.619 9.376 -8.974 1.00 35.05 C ATOM 687 NE ARG A 48 11.333 8.746 -7.857 1.00 32.54 N ATOM 688 CZ ARG A 48 11.164 7.484 -7.422 1.00 5.01 C ATOM 689 NH1 ARG A 48 10.239 6.686 -7.961 1.00 2.45 N ATOM 690 NH2 ARG A 48 11.950 7.018 -6.465 1.00 4.04 N ATOM 0 H ARG A 48 9.495 13.813 -8.004 1.00 5.01 H new ATOM 0 HA ARG A 48 7.760 11.625 -7.084 1.00 71.41 H new ATOM 0 HB2 ARG A 48 10.684 11.747 -7.745 1.00 73.44 H new ATOM 0 HB3 ARG A 48 10.079 10.622 -6.545 1.00 73.44 H new ATOM 0 HG2 ARG A 48 8.628 9.561 -8.186 1.00 64.13 H new ATOM 0 HG3 ARG A 48 9.035 10.767 -9.390 1.00 64.13 H new ATOM 0 HD2 ARG A 48 10.275 8.601 -9.659 1.00 35.05 H new ATOM 0 HD3 ARG A 48 11.313 10.007 -9.529 1.00 35.05 H new ATOM 0 HE ARG A 48 12.020 9.317 -7.365 1.00 32.54 H new ATOM 0 HH11 ARG A 48 9.646 7.030 -8.716 1.00 2.45 H new ATOM 0 HH12 ARG A 48 10.126 5.732 -7.618 1.00 2.45 H new ATOM 0 HH21 ARG A 48 12.675 7.614 -6.065 1.00 4.04 H new ATOM 0 HH22 ARG A 48 11.831 6.063 -6.127 1.00 4.04 H new ATOM 704 N HIS A 49 7.956 12.688 -4.893 1.00 43.11 N ATOM 705 CA HIS A 49 8.053 13.149 -3.529 1.00 12.12 C ATOM 706 C HIS A 49 8.174 11.949 -2.627 1.00 35.42 C ATOM 707 O HIS A 49 8.819 11.989 -1.598 1.00 0.42 O ATOM 708 CB HIS A 49 6.831 14.047 -3.157 1.00 12.43 C ATOM 709 CG HIS A 49 6.667 14.356 -1.678 1.00 62.15 C ATOM 710 ND1 HIS A 49 7.040 15.558 -1.144 1.00 52.14 N ATOM 711 CD2 HIS A 49 6.175 13.571 -0.691 1.00 42.43 C ATOM 712 CE1 HIS A 49 6.773 15.466 0.154 1.00 11.10 C ATOM 713 NE2 HIS A 49 6.256 14.282 0.468 1.00 45.42 N ATOM 0 H HIS A 49 7.039 12.318 -5.143 1.00 43.11 H new ATOM 0 HA HIS A 49 8.939 13.772 -3.405 1.00 12.12 H new ATOM 0 HB2 HIS A 49 6.917 14.989 -3.699 1.00 12.43 H new ATOM 0 HB3 HIS A 49 5.923 13.558 -3.510 1.00 12.43 H new ATOM 0 HD2 HIS A 49 5.790 12.568 -0.802 1.00 42.43 H new ATOM 0 HE1 HIS A 49 6.954 16.257 0.867 1.00 11.10 H new ATOM 0 HE2 HIS A 49 5.975 13.967 1.397 1.00 45.42 H new ATOM 721 N LEU A 50 7.559 10.874 -3.034 1.00 0.30 N ATOM 722 CA LEU A 50 7.578 9.663 -2.283 1.00 75.24 C ATOM 723 C LEU A 50 7.058 8.553 -3.153 1.00 55.03 C ATOM 724 O LEU A 50 6.328 8.808 -4.099 1.00 11.54 O ATOM 725 CB LEU A 50 6.731 9.859 -1.001 1.00 50.32 C ATOM 726 CG LEU A 50 6.546 8.671 -0.072 1.00 72.15 C ATOM 727 CD1 LEU A 50 6.402 9.178 1.338 1.00 41.34 C ATOM 728 CD2 LEU A 50 5.281 7.923 -0.440 1.00 11.45 C ATOM 0 H LEU A 50 7.028 10.819 -3.903 1.00 0.30 H new ATOM 0 HA LEU A 50 8.589 9.398 -1.973 1.00 75.24 H new ATOM 0 HB2 LEU A 50 7.183 10.665 -0.424 1.00 50.32 H new ATOM 0 HB3 LEU A 50 5.742 10.201 -1.305 1.00 50.32 H new ATOM 0 HG LEU A 50 7.406 8.007 -0.160 1.00 72.15 H new ATOM 0 HD11 LEU A 50 6.268 8.335 2.016 1.00 41.34 H new ATOM 0 HD12 LEU A 50 7.298 9.731 1.619 1.00 41.34 H new ATOM 0 HD13 LEU A 50 5.535 9.836 1.401 1.00 41.34 H new ATOM 0 HD21 LEU A 50 5.154 7.072 0.229 1.00 11.45 H new ATOM 0 HD22 LEU A 50 4.424 8.590 -0.347 1.00 11.45 H new ATOM 0 HD23 LEU A 50 5.354 7.568 -1.468 1.00 11.45 H new ATOM 740 N GLU A 51 7.473 7.358 -2.894 1.00 53.34 N ATOM 741 CA GLU A 51 6.952 6.218 -3.602 1.00 75.20 C ATOM 742 C GLU A 51 6.651 5.106 -2.633 1.00 11.33 C ATOM 743 O GLU A 51 7.374 4.897 -1.648 1.00 50.43 O ATOM 744 CB GLU A 51 7.894 5.726 -4.704 1.00 13.12 C ATOM 745 CG GLU A 51 9.248 5.248 -4.212 1.00 24.22 C ATOM 746 CD GLU A 51 10.138 4.755 -5.324 1.00 64.12 C ATOM 747 OE1 GLU A 51 9.648 4.481 -6.429 1.00 23.52 O ATOM 748 OE2 GLU A 51 11.366 4.660 -5.125 1.00 44.20 O ATOM 0 H GLU A 51 8.178 7.136 -2.191 1.00 53.34 H new ATOM 0 HA GLU A 51 6.032 6.535 -4.094 1.00 75.20 H new ATOM 0 HB2 GLU A 51 7.409 4.911 -5.241 1.00 13.12 H new ATOM 0 HB3 GLU A 51 8.047 6.533 -5.420 1.00 13.12 H new ATOM 0 HG2 GLU A 51 9.747 6.064 -3.689 1.00 24.22 H new ATOM 0 HG3 GLU A 51 9.103 4.447 -3.488 1.00 24.22 H new ATOM 755 N ILE A 52 5.570 4.441 -2.868 1.00 0.11 N ATOM 756 CA ILE A 52 5.201 3.320 -2.074 1.00 33.31 C ATOM 757 C ILE A 52 5.210 2.083 -2.940 1.00 23.43 C ATOM 758 O ILE A 52 4.419 1.970 -3.874 1.00 2.24 O ATOM 759 CB ILE A 52 3.794 3.471 -1.460 1.00 1.01 C ATOM 760 CG1 ILE A 52 3.706 4.731 -0.589 1.00 72.44 C ATOM 761 CG2 ILE A 52 3.479 2.232 -0.642 1.00 35.41 C ATOM 762 CD1 ILE A 52 2.324 5.011 -0.029 1.00 34.45 C ATOM 0 H ILE A 52 4.916 4.661 -3.619 1.00 0.11 H new ATOM 0 HA ILE A 52 5.920 3.246 -1.258 1.00 33.31 H new ATOM 0 HB ILE A 52 3.062 3.576 -2.261 1.00 1.01 H new ATOM 0 HG12 ILE A 52 4.408 4.635 0.240 1.00 72.44 H new ATOM 0 HG13 ILE A 52 4.026 5.589 -1.180 1.00 72.44 H new ATOM 0 HG21 ILE A 52 2.486 2.328 -0.203 1.00 35.41 H new ATOM 0 HG22 ILE A 52 3.507 1.354 -1.287 1.00 35.41 H new ATOM 0 HG23 ILE A 52 4.218 2.123 0.152 1.00 35.41 H new ATOM 0 HD11 ILE A 52 2.353 5.919 0.574 1.00 34.45 H new ATOM 0 HD12 ILE A 52 1.619 5.142 -0.850 1.00 34.45 H new ATOM 0 HD13 ILE A 52 2.006 4.173 0.592 1.00 34.45 H new ATOM 774 N ARG A 53 6.094 1.186 -2.658 1.00 4.12 N ATOM 775 CA ARG A 53 6.133 -0.053 -3.369 1.00 14.43 C ATOM 776 C ARG A 53 5.302 -1.076 -2.621 1.00 1.52 C ATOM 777 O ARG A 53 5.654 -1.501 -1.515 1.00 12.20 O ATOM 778 CB ARG A 53 7.563 -0.553 -3.595 1.00 50.13 C ATOM 779 CG ARG A 53 7.604 -1.954 -4.174 1.00 64.32 C ATOM 780 CD ARG A 53 9.005 -2.448 -4.424 1.00 33.43 C ATOM 781 NE ARG A 53 8.982 -3.864 -4.777 1.00 5.33 N ATOM 782 CZ ARG A 53 9.563 -4.427 -5.837 1.00 53.12 C ATOM 783 NH1 ARG A 53 10.201 -3.688 -6.744 1.00 51.30 N ATOM 784 NH2 ARG A 53 9.471 -5.737 -5.994 1.00 74.41 N ATOM 0 H ARG A 53 6.806 1.287 -1.934 1.00 4.12 H new ATOM 0 HA ARG A 53 5.712 0.105 -4.362 1.00 14.43 H new ATOM 0 HB2 ARG A 53 8.081 0.130 -4.268 1.00 50.13 H new ATOM 0 HB3 ARG A 53 8.103 -0.539 -2.648 1.00 50.13 H new ATOM 0 HG2 ARG A 53 7.100 -2.638 -3.491 1.00 64.32 H new ATOM 0 HG3 ARG A 53 7.047 -1.970 -5.111 1.00 64.32 H new ATOM 0 HD2 ARG A 53 9.464 -1.872 -5.228 1.00 33.43 H new ATOM 0 HD3 ARG A 53 9.616 -2.297 -3.534 1.00 33.43 H new ATOM 0 HE ARG A 53 8.470 -4.485 -4.150 1.00 5.33 H new ATOM 0 HH11 ARG A 53 10.250 -2.675 -6.633 1.00 51.30 H new ATOM 0 HH12 ARG A 53 10.640 -4.135 -7.549 1.00 51.30 H new ATOM 0 HH21 ARG A 53 8.962 -6.298 -5.311 1.00 74.41 H new ATOM 0 HH22 ARG A 53 9.909 -6.186 -6.798 1.00 74.41 H new ATOM 798 N TRP A 54 4.201 -1.431 -3.193 1.00 64.21 N ATOM 799 CA TRP A 54 3.320 -2.358 -2.582 1.00 21.22 C ATOM 800 C TRP A 54 3.492 -3.750 -3.166 1.00 30.01 C ATOM 801 O TRP A 54 3.149 -4.011 -4.332 1.00 41.32 O ATOM 802 CB TRP A 54 1.848 -1.874 -2.655 1.00 74.21 C ATOM 803 CG TRP A 54 0.836 -2.926 -2.280 1.00 73.34 C ATOM 804 CD1 TRP A 54 -0.117 -3.452 -3.088 1.00 43.22 C ATOM 805 CD2 TRP A 54 0.716 -3.601 -1.030 1.00 11.31 C ATOM 806 NE1 TRP A 54 -0.830 -4.411 -2.421 1.00 40.42 N ATOM 807 CE2 TRP A 54 -0.335 -4.527 -1.150 1.00 4.42 C ATOM 808 CE3 TRP A 54 1.394 -3.512 0.169 1.00 24.24 C ATOM 809 CZ2 TRP A 54 -0.717 -5.360 -0.099 1.00 1.15 C ATOM 810 CZ3 TRP A 54 1.027 -4.330 1.207 1.00 71.31 C ATOM 811 CH2 TRP A 54 -0.022 -5.247 1.073 1.00 20.42 C ATOM 0 H TRP A 54 3.889 -1.083 -4.100 1.00 64.21 H new ATOM 0 HA TRP A 54 3.582 -2.419 -1.526 1.00 21.22 H new ATOM 0 HB2 TRP A 54 1.726 -1.016 -1.995 1.00 74.21 H new ATOM 0 HB3 TRP A 54 1.640 -1.529 -3.668 1.00 74.21 H new ATOM 0 HD1 TRP A 54 -0.289 -3.156 -4.112 1.00 43.22 H new ATOM 0 HE1 TRP A 54 -1.604 -4.951 -2.808 1.00 40.42 H new ATOM 0 HE3 TRP A 54 2.203 -2.807 0.288 1.00 24.24 H new ATOM 0 HZ2 TRP A 54 -1.528 -6.065 -0.206 1.00 1.15 H new ATOM 0 HZ3 TRP A 54 1.557 -4.265 2.146 1.00 71.31 H new ATOM 0 HH2 TRP A 54 -0.287 -5.876 1.910 1.00 20.42 H new ATOM 822 N ASP A 55 4.063 -4.610 -2.368 1.00 23.10 N ATOM 823 CA ASP A 55 4.174 -6.009 -2.690 1.00 24.10 C ATOM 824 C ASP A 55 3.206 -6.735 -1.793 1.00 53.40 C ATOM 825 O ASP A 55 2.789 -6.177 -0.780 1.00 61.15 O ATOM 826 CB ASP A 55 5.597 -6.562 -2.479 1.00 40.51 C ATOM 827 CG ASP A 55 6.629 -6.060 -3.477 1.00 73.32 C ATOM 828 OD1 ASP A 55 6.430 -6.228 -4.705 1.00 32.30 O ATOM 829 OD2 ASP A 55 7.680 -5.527 -3.054 1.00 65.13 O ATOM 0 H ASP A 55 4.469 -4.358 -1.467 1.00 23.10 H new ATOM 0 HA ASP A 55 3.949 -6.154 -3.747 1.00 24.10 H new ATOM 0 HB2 ASP A 55 5.928 -6.302 -1.473 1.00 40.51 H new ATOM 0 HB3 ASP A 55 5.561 -7.650 -2.531 1.00 40.51 H new ATOM 834 N GLY A 56 2.864 -7.962 -2.125 1.00 60.02 N ATOM 835 CA GLY A 56 1.861 -8.703 -1.362 1.00 0.14 C ATOM 836 C GLY A 56 2.318 -9.163 0.024 1.00 72.23 C ATOM 837 O GLY A 56 2.456 -10.358 0.266 1.00 22.20 O ATOM 0 H GLY A 56 3.260 -8.473 -2.914 1.00 60.02 H new ATOM 0 HA2 GLY A 56 0.976 -8.077 -1.248 1.00 0.14 H new ATOM 0 HA3 GLY A 56 1.560 -9.578 -1.938 1.00 0.14 H new ATOM 841 N GLN A 57 2.551 -8.215 0.915 1.00 0.01 N ATOM 842 CA GLN A 57 2.920 -8.473 2.298 1.00 73.32 C ATOM 843 C GLN A 57 2.844 -7.165 3.085 1.00 10.14 C ATOM 844 O GLN A 57 1.920 -6.948 3.869 1.00 1.31 O ATOM 845 CB GLN A 57 4.338 -9.052 2.406 1.00 2.44 C ATOM 846 CG GLN A 57 4.755 -9.388 3.831 1.00 44.33 C ATOM 847 CD GLN A 57 6.211 -9.753 3.935 1.00 4.21 C ATOM 848 OE1 GLN A 57 6.798 -10.292 3.003 1.00 21.50 O ATOM 849 NE2 GLN A 57 6.812 -9.446 5.053 1.00 60.44 N ATOM 0 H GLN A 57 2.488 -7.221 0.693 1.00 0.01 H new ATOM 0 HA GLN A 57 2.226 -9.207 2.707 1.00 73.32 H new ATOM 0 HB2 GLN A 57 4.400 -9.954 1.797 1.00 2.44 H new ATOM 0 HB3 GLN A 57 5.046 -8.336 1.989 1.00 2.44 H new ATOM 0 HG2 GLN A 57 4.551 -8.534 4.477 1.00 44.33 H new ATOM 0 HG3 GLN A 57 4.149 -10.217 4.198 1.00 44.33 H new ATOM 0 HE21 GLN A 57 6.290 -8.998 5.806 1.00 60.44 H new ATOM 0 HE22 GLN A 57 7.803 -9.654 5.173 1.00 60.44 H new ATOM 858 N VAL A 58 3.799 -6.287 2.829 1.00 64.42 N ATOM 859 CA VAL A 58 3.898 -4.997 3.480 1.00 45.14 C ATOM 860 C VAL A 58 4.179 -3.953 2.432 1.00 53.34 C ATOM 861 O VAL A 58 4.639 -4.282 1.334 1.00 12.31 O ATOM 862 CB VAL A 58 5.012 -4.936 4.584 1.00 41.53 C ATOM 863 CG1 VAL A 58 4.651 -5.791 5.786 1.00 70.40 C ATOM 864 CG2 VAL A 58 6.373 -5.359 4.026 1.00 65.50 C ATOM 0 H VAL A 58 4.540 -6.457 2.149 1.00 64.42 H new ATOM 0 HA VAL A 58 2.950 -4.816 3.986 1.00 45.14 H new ATOM 0 HB VAL A 58 5.081 -3.898 4.911 1.00 41.53 H new ATOM 0 HG11 VAL A 58 5.444 -5.725 6.531 1.00 70.40 H new ATOM 0 HG12 VAL A 58 3.717 -5.434 6.219 1.00 70.40 H new ATOM 0 HG13 VAL A 58 4.533 -6.828 5.472 1.00 70.40 H new ATOM 0 HG21 VAL A 58 7.122 -5.306 4.816 1.00 65.50 H new ATOM 0 HG22 VAL A 58 6.311 -6.381 3.653 1.00 65.50 H new ATOM 0 HG23 VAL A 58 6.656 -4.692 3.212 1.00 65.50 H new ATOM 874 N ALA A 59 3.892 -2.724 2.742 1.00 54.44 N ATOM 875 CA ALA A 59 4.093 -1.666 1.801 1.00 73.41 C ATOM 876 C ALA A 59 5.380 -0.941 2.102 1.00 15.15 C ATOM 877 O ALA A 59 5.585 -0.424 3.205 1.00 10.51 O ATOM 878 CB ALA A 59 2.913 -0.720 1.790 1.00 65.10 C ATOM 0 H ALA A 59 3.516 -2.430 3.644 1.00 54.44 H new ATOM 0 HA ALA A 59 4.172 -2.096 0.803 1.00 73.41 H new ATOM 0 HB1 ALA A 59 3.091 0.075 1.066 1.00 65.10 H new ATOM 0 HB2 ALA A 59 2.011 -1.266 1.514 1.00 65.10 H new ATOM 0 HB3 ALA A 59 2.785 -0.286 2.782 1.00 65.10 H new ATOM 884 N LEU A 60 6.238 -0.945 1.147 1.00 31.44 N ATOM 885 CA LEU A 60 7.532 -0.316 1.240 1.00 72.44 C ATOM 886 C LEU A 60 7.400 1.183 0.985 1.00 35.12 C ATOM 887 O LEU A 60 6.874 1.597 -0.040 1.00 21.52 O ATOM 888 CB LEU A 60 8.456 -0.952 0.219 1.00 34.11 C ATOM 889 CG LEU A 60 9.863 -0.394 0.113 1.00 4.43 C ATOM 890 CD1 LEU A 60 10.632 -0.607 1.408 1.00 3.31 C ATOM 891 CD2 LEU A 60 10.569 -1.043 -1.053 1.00 53.01 C ATOM 0 H LEU A 60 6.067 -1.395 0.248 1.00 31.44 H new ATOM 0 HA LEU A 60 7.946 -0.456 2.239 1.00 72.44 H new ATOM 0 HB2 LEU A 60 8.531 -2.015 0.447 1.00 34.11 H new ATOM 0 HB3 LEU A 60 7.985 -0.869 -0.761 1.00 34.11 H new ATOM 0 HG LEU A 60 9.810 0.681 -0.058 1.00 4.43 H new ATOM 0 HD11 LEU A 60 11.637 -0.198 1.306 1.00 3.31 H new ATOM 0 HD12 LEU A 60 10.116 -0.102 2.225 1.00 3.31 H new ATOM 0 HD13 LEU A 60 10.694 -1.674 1.623 1.00 3.31 H new ATOM 0 HD21 LEU A 60 11.581 -0.645 -1.133 1.00 53.01 H new ATOM 0 HD22 LEU A 60 10.614 -2.121 -0.897 1.00 53.01 H new ATOM 0 HD23 LEU A 60 10.022 -0.832 -1.972 1.00 53.01 H new ATOM 903 N LEU A 61 7.878 1.969 1.902 1.00 52.40 N ATOM 904 CA LEU A 61 7.755 3.404 1.846 1.00 32.44 C ATOM 905 C LEU A 61 9.141 4.024 1.618 1.00 21.41 C ATOM 906 O LEU A 61 10.068 3.814 2.417 1.00 0.11 O ATOM 907 CB LEU A 61 7.114 3.862 3.195 1.00 43.32 C ATOM 908 CG LEU A 61 6.695 5.338 3.419 1.00 4.41 C ATOM 909 CD1 LEU A 61 7.871 6.312 3.454 1.00 0.42 C ATOM 910 CD2 LEU A 61 5.671 5.749 2.391 1.00 31.12 C ATOM 0 H LEU A 61 8.374 1.630 2.727 1.00 52.40 H new ATOM 0 HA LEU A 61 7.123 3.731 1.021 1.00 32.44 H new ATOM 0 HB2 LEU A 61 6.225 3.251 3.350 1.00 43.32 H new ATOM 0 HB3 LEU A 61 7.819 3.606 3.986 1.00 43.32 H new ATOM 0 HG LEU A 61 6.248 5.390 4.412 1.00 4.41 H new ATOM 0 HD11 LEU A 61 7.500 7.324 3.614 1.00 0.42 H new ATOM 0 HD12 LEU A 61 8.545 6.040 4.266 1.00 0.42 H new ATOM 0 HD13 LEU A 61 8.408 6.268 2.507 1.00 0.42 H new ATOM 0 HD21 LEU A 61 5.384 6.787 2.558 1.00 31.12 H new ATOM 0 HD22 LEU A 61 6.096 5.646 1.393 1.00 31.12 H new ATOM 0 HD23 LEU A 61 4.791 5.111 2.478 1.00 31.12 H new ATOM 922 N ALA A 62 9.281 4.756 0.533 1.00 45.21 N ATOM 923 CA ALA A 62 10.512 5.455 0.226 1.00 74.04 C ATOM 924 C ALA A 62 10.211 6.930 -0.012 1.00 75.52 C ATOM 925 O ALA A 62 9.370 7.272 -0.849 1.00 72.11 O ATOM 926 CB ALA A 62 11.191 4.839 -0.990 1.00 12.22 C ATOM 0 H ALA A 62 8.545 4.884 -0.161 1.00 45.21 H new ATOM 0 HA ALA A 62 11.196 5.363 1.070 1.00 74.04 H new ATOM 0 HB1 ALA A 62 12.114 5.379 -1.204 1.00 12.22 H new ATOM 0 HB2 ALA A 62 11.421 3.793 -0.787 1.00 12.22 H new ATOM 0 HB3 ALA A 62 10.525 4.904 -1.850 1.00 12.22 H new ATOM 932 N ASP A 63 10.873 7.784 0.723 1.00 33.41 N ATOM 933 CA ASP A 63 10.660 9.232 0.636 1.00 34.04 C ATOM 934 C ASP A 63 11.657 9.877 -0.312 1.00 23.04 C ATOM 935 O ASP A 63 12.849 9.559 -0.272 1.00 11.54 O ATOM 936 CB ASP A 63 10.778 9.859 2.037 1.00 44.22 C ATOM 937 CG ASP A 63 10.835 11.382 2.030 1.00 13.31 C ATOM 938 OD1 ASP A 63 9.778 12.036 1.970 1.00 12.43 O ATOM 939 OD2 ASP A 63 11.958 11.936 2.135 1.00 43.45 O ATOM 0 H ASP A 63 11.580 7.510 1.405 1.00 33.41 H new ATOM 0 HA ASP A 63 9.659 9.410 0.242 1.00 34.04 H new ATOM 0 HB2 ASP A 63 9.928 9.540 2.640 1.00 44.22 H new ATOM 0 HB3 ASP A 63 11.675 9.474 2.522 1.00 44.22 H new ATOM 944 N LEU A 64 11.173 10.740 -1.184 1.00 14.45 N ATOM 945 CA LEU A 64 12.030 11.498 -2.090 1.00 31.00 C ATOM 946 C LEU A 64 11.798 13.005 -1.888 1.00 2.34 C ATOM 947 O LEU A 64 11.143 13.640 -2.725 1.00 42.42 O ATOM 948 CB LEU A 64 11.711 11.215 -3.595 1.00 12.33 C ATOM 949 CG LEU A 64 11.886 9.822 -4.204 1.00 52.00 C ATOM 950 CD1 LEU A 64 13.275 9.275 -3.992 1.00 72.13 C ATOM 951 CD2 LEU A 64 10.813 8.843 -3.771 1.00 2.53 C ATOM 0 H LEU A 64 10.178 10.939 -1.288 1.00 14.45 H new ATOM 0 HA LEU A 64 13.052 11.195 -1.862 1.00 31.00 H new ATOM 0 HB2 LEU A 64 10.672 11.503 -3.758 1.00 12.33 H new ATOM 0 HB3 LEU A 64 12.326 11.896 -4.182 1.00 12.33 H new ATOM 0 HG LEU A 64 11.757 9.950 -5.279 1.00 52.00 H new ATOM 0 HD11 LEU A 64 13.349 8.285 -4.442 1.00 72.13 H new ATOM 0 HD12 LEU A 64 14.003 9.940 -4.457 1.00 72.13 H new ATOM 0 HD13 LEU A 64 13.479 9.204 -2.924 1.00 72.13 H new ATOM 0 HD21 LEU A 64 10.994 7.875 -4.237 1.00 2.53 H new ATOM 0 HD22 LEU A 64 10.836 8.734 -2.687 1.00 2.53 H new ATOM 0 HD23 LEU A 64 9.835 9.216 -4.077 1.00 2.53 H new ATOM 963 N ASN A 65 12.333 13.586 -0.823 1.00 64.00 N ATOM 964 CA ASN A 65 12.193 15.037 -0.602 1.00 21.32 C ATOM 965 C ASN A 65 13.043 15.461 0.592 1.00 54.41 C ATOM 966 O ASN A 65 13.044 14.809 1.627 1.00 14.34 O ATOM 967 CB ASN A 65 10.701 15.432 -0.378 1.00 53.44 C ATOM 968 CG ASN A 65 10.436 16.940 -0.449 1.00 53.00 C ATOM 969 OD1 ASN A 65 11.271 17.763 -0.101 1.00 31.24 O ATOM 970 ND2 ASN A 65 9.266 17.310 -0.893 1.00 21.12 N ATOM 0 H ASN A 65 12.862 13.093 -0.103 1.00 64.00 H new ATOM 0 HA ASN A 65 12.543 15.557 -1.494 1.00 21.32 H new ATOM 0 HB2 ASN A 65 10.087 14.930 -1.126 1.00 53.44 H new ATOM 0 HB3 ASN A 65 10.381 15.063 0.596 1.00 53.44 H new ATOM 0 HD21 ASN A 65 9.034 18.301 -0.955 1.00 21.12 H new ATOM 0 HD22 ASN A 65 8.583 16.608 -1.178 1.00 21.12 H new ATOM 977 N SER A 66 13.779 16.519 0.445 1.00 43.12 N ATOM 978 CA SER A 66 14.641 16.999 1.497 1.00 60.02 C ATOM 979 C SER A 66 13.979 18.161 2.280 1.00 11.01 C ATOM 980 O SER A 66 14.104 18.258 3.502 1.00 35.22 O ATOM 981 CB SER A 66 15.953 17.454 0.871 1.00 14.14 C ATOM 982 OG SER A 66 16.448 16.459 -0.028 1.00 24.33 O ATOM 0 H SER A 66 13.804 17.080 -0.407 1.00 43.12 H new ATOM 0 HA SER A 66 14.825 16.195 2.210 1.00 60.02 H new ATOM 0 HB2 SER A 66 15.802 18.393 0.338 1.00 14.14 H new ATOM 0 HB3 SER A 66 16.689 17.646 1.652 1.00 14.14 H new ATOM 0 HG SER A 66 17.290 16.766 -0.424 1.00 24.33 H new ATOM 988 N THR A 67 13.233 18.995 1.577 1.00 52.03 N ATOM 989 CA THR A 67 12.653 20.191 2.176 1.00 11.33 C ATOM 990 C THR A 67 11.270 19.911 2.819 1.00 4.42 C ATOM 991 O THR A 67 10.892 20.529 3.815 1.00 51.20 O ATOM 992 CB THR A 67 12.582 21.369 1.132 1.00 34.35 C ATOM 993 OG1 THR A 67 12.039 22.560 1.720 1.00 44.44 O ATOM 994 CG2 THR A 67 11.761 20.989 -0.094 1.00 3.41 C ATOM 0 H THR A 67 13.013 18.868 0.589 1.00 52.03 H new ATOM 0 HA THR A 67 13.315 20.502 2.985 1.00 11.33 H new ATOM 0 HB THR A 67 13.607 21.565 0.817 1.00 34.35 H new ATOM 0 HG1 THR A 67 12.009 23.273 1.048 1.00 44.44 H new ATOM 0 HG21 THR A 67 11.736 21.828 -0.790 1.00 3.41 H new ATOM 0 HG22 THR A 67 12.214 20.126 -0.582 1.00 3.41 H new ATOM 0 HG23 THR A 67 10.745 20.741 0.211 1.00 3.41 H new ATOM 1002 N ASN A 68 10.530 18.995 2.247 1.00 2.24 N ATOM 1003 CA ASN A 68 9.211 18.623 2.763 1.00 32.35 C ATOM 1004 C ASN A 68 9.166 17.149 3.071 1.00 44.44 C ATOM 1005 O ASN A 68 8.098 16.528 3.005 1.00 51.14 O ATOM 1006 CB ASN A 68 8.078 19.022 1.801 1.00 63.11 C ATOM 1007 CG ASN A 68 7.874 20.523 1.721 1.00 62.22 C ATOM 1008 OD1 ASN A 68 8.457 21.204 0.871 1.00 74.13 O ATOM 1009 ND2 ASN A 68 7.063 21.055 2.603 1.00 54.22 N ATOM 0 H ASN A 68 10.812 18.480 1.413 1.00 2.24 H new ATOM 0 HA ASN A 68 9.050 19.179 3.687 1.00 32.35 H new ATOM 0 HB2 ASN A 68 8.300 18.637 0.806 1.00 63.11 H new ATOM 0 HB3 ASN A 68 7.150 18.551 2.125 1.00 63.11 H new ATOM 0 HD21 ASN A 68 6.897 22.061 2.601 1.00 54.22 H new ATOM 0 HD22 ASN A 68 6.598 20.463 3.291 1.00 54.22 H new ATOM 1016 N GLY A 69 10.347 16.612 3.409 1.00 63.53 N ATOM 1017 CA GLY A 69 10.540 15.188 3.696 1.00 75.13 C ATOM 1018 C GLY A 69 9.464 14.586 4.573 1.00 32.32 C ATOM 1019 O GLY A 69 9.081 15.160 5.611 1.00 0.11 O ATOM 0 H GLY A 69 11.202 17.162 3.491 1.00 63.53 H new ATOM 0 HA2 GLY A 69 10.576 14.640 2.755 1.00 75.13 H new ATOM 0 HA3 GLY A 69 11.507 15.053 4.181 1.00 75.13 H new ATOM 1023 N THR A 70 8.993 13.459 4.159 1.00 25.00 N ATOM 1024 CA THR A 70 7.904 12.775 4.779 1.00 60.13 C ATOM 1025 C THR A 70 8.309 12.113 6.110 1.00 42.31 C ATOM 1026 O THR A 70 9.380 11.511 6.230 1.00 55.35 O ATOM 1027 CB THR A 70 7.392 11.730 3.803 1.00 42.21 C ATOM 1028 OG1 THR A 70 7.173 12.362 2.519 1.00 63.44 O ATOM 1029 CG2 THR A 70 6.115 11.111 4.301 1.00 75.05 C ATOM 0 H THR A 70 9.369 12.968 3.348 1.00 25.00 H new ATOM 0 HA THR A 70 7.125 13.498 5.020 1.00 60.13 H new ATOM 0 HB THR A 70 8.131 10.935 3.706 1.00 42.21 H new ATOM 0 HG1 THR A 70 8.015 12.387 2.019 1.00 63.44 H new ATOM 0 HG21 THR A 70 5.768 10.366 3.585 1.00 75.05 H new ATOM 0 HG22 THR A 70 6.294 10.633 5.264 1.00 75.05 H new ATOM 0 HG23 THR A 70 5.356 11.885 4.415 1.00 75.05 H new ATOM 1037 N THR A 71 7.464 12.250 7.095 1.00 41.23 N ATOM 1038 CA THR A 71 7.688 11.679 8.384 1.00 15.32 C ATOM 1039 C THR A 71 6.705 10.558 8.645 1.00 70.14 C ATOM 1040 O THR A 71 5.552 10.631 8.233 1.00 52.11 O ATOM 1041 CB THR A 71 7.535 12.739 9.480 1.00 43.42 C ATOM 1042 OG1 THR A 71 6.300 13.445 9.331 1.00 1.22 O ATOM 1043 CG2 THR A 71 8.668 13.710 9.457 1.00 70.41 C ATOM 0 H THR A 71 6.590 12.770 7.018 1.00 41.23 H new ATOM 0 HA THR A 71 8.704 11.285 8.401 1.00 15.32 H new ATOM 0 HB THR A 71 7.540 12.220 10.438 1.00 43.42 H new ATOM 0 HG1 THR A 71 6.289 14.216 9.935 1.00 1.22 H new ATOM 0 HG21 THR A 71 8.530 14.449 10.246 1.00 70.41 H new ATOM 0 HG22 THR A 71 9.606 13.178 9.617 1.00 70.41 H new ATOM 0 HG23 THR A 71 8.697 14.213 8.490 1.00 70.41 H new ATOM 1051 N VAL A 72 7.152 9.542 9.308 1.00 44.12 N ATOM 1052 CA VAL A 72 6.306 8.435 9.683 1.00 54.05 C ATOM 1053 C VAL A 72 6.171 8.482 11.194 1.00 64.43 C ATOM 1054 O VAL A 72 7.164 8.560 11.914 1.00 74.43 O ATOM 1055 CB VAL A 72 6.877 7.091 9.176 1.00 51.23 C ATOM 1056 CG1 VAL A 72 6.939 7.119 7.651 1.00 21.21 C ATOM 1057 CG2 VAL A 72 8.263 6.849 9.748 1.00 14.12 C ATOM 0 H VAL A 72 8.121 9.447 9.611 1.00 44.12 H new ATOM 0 HA VAL A 72 5.322 8.516 9.220 1.00 54.05 H new ATOM 0 HB VAL A 72 6.227 6.280 9.504 1.00 51.23 H new ATOM 0 HG11 VAL A 72 7.341 6.174 7.286 1.00 21.21 H new ATOM 0 HG12 VAL A 72 5.937 7.267 7.249 1.00 21.21 H new ATOM 0 HG13 VAL A 72 7.584 7.936 7.328 1.00 21.21 H new ATOM 0 HG21 VAL A 72 8.648 5.898 9.379 1.00 14.12 H new ATOM 0 HG22 VAL A 72 8.930 7.654 9.440 1.00 14.12 H new ATOM 0 HG23 VAL A 72 8.208 6.821 10.836 1.00 14.12 H new ATOM 1067 N ASN A 73 4.951 8.581 11.655 1.00 15.14 N ATOM 1068 CA ASN A 73 4.636 8.855 13.064 1.00 23.34 C ATOM 1069 C ASN A 73 5.210 10.207 13.474 1.00 41.12 C ATOM 1070 O ASN A 73 5.409 10.472 14.660 1.00 51.31 O ATOM 1071 CB ASN A 73 5.132 7.776 14.057 1.00 61.02 C ATOM 1072 CG ASN A 73 4.269 6.538 14.149 1.00 12.13 C ATOM 1073 OD1 ASN A 73 4.062 6.017 15.239 1.00 13.42 O ATOM 1074 ND2 ASN A 73 3.818 6.018 13.061 1.00 43.31 N ATOM 0 H ASN A 73 4.125 8.475 11.066 1.00 15.14 H new ATOM 0 HA ASN A 73 3.548 8.851 13.122 1.00 23.34 H new ATOM 0 HB2 ASN A 73 6.140 7.476 13.769 1.00 61.02 H new ATOM 0 HB3 ASN A 73 5.204 8.223 15.048 1.00 61.02 H new ATOM 0 HD21 ASN A 73 3.276 5.155 13.095 1.00 43.31 H new ATOM 0 HD22 ASN A 73 4.003 6.469 12.165 1.00 43.31 H new ATOM 1081 N ASN A 74 5.422 11.069 12.466 1.00 4.41 N ATOM 1082 CA ASN A 74 6.006 12.405 12.610 1.00 44.22 C ATOM 1083 C ASN A 74 7.544 12.317 12.827 1.00 11.44 C ATOM 1084 O ASN A 74 8.216 13.305 13.086 1.00 33.14 O ATOM 1085 CB ASN A 74 5.274 13.272 13.688 1.00 3.32 C ATOM 1086 CG ASN A 74 5.701 14.742 13.694 1.00 14.13 C ATOM 1087 OD1 ASN A 74 5.194 15.541 12.907 1.00 72.04 O ATOM 1088 ND2 ASN A 74 6.570 15.124 14.604 1.00 61.24 N ATOM 0 H ASN A 74 5.183 10.845 11.500 1.00 4.41 H new ATOM 0 HA ASN A 74 5.849 12.938 11.672 1.00 44.22 H new ATOM 0 HB2 ASN A 74 4.199 13.216 13.516 1.00 3.32 H new ATOM 0 HB3 ASN A 74 5.462 12.845 14.673 1.00 3.32 H new ATOM 0 HD21 ASN A 74 6.840 16.105 14.671 1.00 61.24 H new ATOM 0 HD22 ASN A 74 6.974 14.439 15.243 1.00 61.24 H new ATOM 1095 N ALA A 75 8.094 11.123 12.658 1.00 70.35 N ATOM 1096 CA ALA A 75 9.528 10.910 12.756 1.00 11.35 C ATOM 1097 C ALA A 75 10.140 10.915 11.342 1.00 20.43 C ATOM 1098 O ALA A 75 9.675 10.180 10.462 1.00 34.31 O ATOM 1099 CB ALA A 75 9.826 9.586 13.457 1.00 34.11 C ATOM 0 H ALA A 75 7.560 10.279 12.450 1.00 70.35 H new ATOM 0 HA ALA A 75 9.970 11.713 13.346 1.00 11.35 H new ATOM 0 HB1 ALA A 75 10.905 9.443 13.521 1.00 34.11 H new ATOM 0 HB2 ALA A 75 9.401 9.602 14.461 1.00 34.11 H new ATOM 0 HB3 ALA A 75 9.385 8.767 12.890 1.00 34.11 H new ATOM 1105 N PRO A 76 11.134 11.783 11.081 1.00 1.53 N ATOM 1106 CA PRO A 76 11.784 11.886 9.771 1.00 22.32 C ATOM 1107 C PRO A 76 12.587 10.641 9.403 1.00 35.33 C ATOM 1108 O PRO A 76 13.452 10.177 10.176 1.00 4.11 O ATOM 1109 CB PRO A 76 12.707 13.108 9.911 1.00 11.03 C ATOM 1110 CG PRO A 76 12.206 13.821 11.113 1.00 31.00 C ATOM 1111 CD PRO A 76 11.688 12.761 12.020 1.00 33.34 C ATOM 0 HA PRO A 76 11.050 11.984 8.971 1.00 22.32 H new ATOM 0 HB2 PRO A 76 13.747 12.807 10.034 1.00 11.03 H new ATOM 0 HB3 PRO A 76 12.661 13.743 9.026 1.00 11.03 H new ATOM 0 HG2 PRO A 76 13.003 14.391 11.591 1.00 31.00 H new ATOM 0 HG3 PRO A 76 11.421 14.530 10.850 1.00 31.00 H new ATOM 0 HD2 PRO A 76 12.479 12.331 12.634 1.00 33.34 H new ATOM 0 HD3 PRO A 76 10.928 13.145 12.701 1.00 33.34 H new ATOM 1119 N VAL A 77 12.295 10.105 8.234 1.00 1.25 N ATOM 1120 CA VAL A 77 12.939 8.908 7.710 1.00 4.15 C ATOM 1121 C VAL A 77 13.099 9.050 6.210 1.00 51.23 C ATOM 1122 O VAL A 77 12.432 9.882 5.593 1.00 23.21 O ATOM 1123 CB VAL A 77 12.104 7.611 7.985 1.00 51.31 C ATOM 1124 CG1 VAL A 77 12.000 7.294 9.472 1.00 53.32 C ATOM 1125 CG2 VAL A 77 10.716 7.720 7.360 1.00 11.23 C ATOM 0 H VAL A 77 11.591 10.494 7.607 1.00 1.25 H new ATOM 0 HA VAL A 77 13.901 8.811 8.213 1.00 4.15 H new ATOM 0 HB VAL A 77 12.637 6.783 7.517 1.00 51.31 H new ATOM 0 HG11 VAL A 77 11.412 6.387 9.610 1.00 53.32 H new ATOM 0 HG12 VAL A 77 12.999 7.146 9.883 1.00 53.32 H new ATOM 0 HG13 VAL A 77 11.515 8.123 9.988 1.00 53.32 H new ATOM 0 HG21 VAL A 77 10.153 6.809 7.563 1.00 11.23 H new ATOM 0 HG22 VAL A 77 10.191 8.574 7.787 1.00 11.23 H new ATOM 0 HG23 VAL A 77 10.812 7.855 6.283 1.00 11.23 H new ATOM 1135 N GLN A 78 13.991 8.290 5.637 1.00 50.11 N ATOM 1136 CA GLN A 78 14.133 8.259 4.197 1.00 10.44 C ATOM 1137 C GLN A 78 13.494 6.983 3.660 1.00 4.51 C ATOM 1138 O GLN A 78 13.147 6.886 2.476 1.00 34.24 O ATOM 1139 CB GLN A 78 15.606 8.390 3.769 1.00 24.05 C ATOM 1140 CG GLN A 78 16.526 7.291 4.279 1.00 51.34 C ATOM 1141 CD GLN A 78 17.977 7.556 3.952 1.00 22.25 C ATOM 1142 OE1 GLN A 78 18.480 7.153 2.897 1.00 74.43 O ATOM 1143 NE2 GLN A 78 18.653 8.248 4.830 1.00 4.24 N ATOM 0 H GLN A 78 14.635 7.680 6.141 1.00 50.11 H new ATOM 0 HA GLN A 78 13.616 9.118 3.768 1.00 10.44 H new ATOM 0 HB2 GLN A 78 15.652 8.405 2.680 1.00 24.05 H new ATOM 0 HB3 GLN A 78 15.985 9.351 4.117 1.00 24.05 H new ATOM 0 HG2 GLN A 78 16.411 7.197 5.359 1.00 51.34 H new ATOM 0 HG3 GLN A 78 16.226 6.338 3.842 1.00 51.34 H new ATOM 0 HE21 GLN A 78 18.201 8.562 5.689 1.00 4.24 H new ATOM 0 HE22 GLN A 78 19.632 8.474 4.657 1.00 4.24 H new ATOM 1152 N GLU A 79 13.328 6.016 4.546 1.00 14.45 N ATOM 1153 CA GLU A 79 12.690 4.766 4.229 1.00 24.22 C ATOM 1154 C GLU A 79 11.908 4.255 5.427 1.00 44.33 C ATOM 1155 O GLU A 79 12.253 4.553 6.577 1.00 14.32 O ATOM 1156 CB GLU A 79 13.697 3.725 3.665 1.00 12.43 C ATOM 1157 CG GLU A 79 15.010 3.532 4.449 1.00 34.34 C ATOM 1158 CD GLU A 79 14.856 2.895 5.809 1.00 70.20 C ATOM 1159 OE1 GLU A 79 14.661 1.666 5.890 1.00 3.52 O ATOM 1160 OE2 GLU A 79 14.987 3.601 6.824 1.00 10.22 O ATOM 0 H GLU A 79 13.639 6.085 5.515 1.00 14.45 H new ATOM 0 HA GLU A 79 11.973 4.937 3.426 1.00 24.22 H new ATOM 0 HB2 GLU A 79 13.192 2.761 3.606 1.00 12.43 H new ATOM 0 HB3 GLU A 79 13.950 4.015 2.645 1.00 12.43 H new ATOM 0 HG2 GLU A 79 15.685 2.919 3.852 1.00 34.34 H new ATOM 0 HG3 GLU A 79 15.488 4.504 4.572 1.00 34.34 H new ATOM 1167 N TRP A 80 10.848 3.549 5.161 1.00 62.21 N ATOM 1168 CA TRP A 80 9.994 3.019 6.187 1.00 14.34 C ATOM 1169 C TRP A 80 9.185 1.878 5.619 1.00 23.12 C ATOM 1170 O TRP A 80 8.996 1.786 4.416 1.00 22.31 O ATOM 1171 CB TRP A 80 9.081 4.138 6.761 1.00 34.11 C ATOM 1172 CG TRP A 80 8.196 3.724 7.882 1.00 31.12 C ATOM 1173 CD1 TRP A 80 6.849 3.531 7.832 1.00 44.11 C ATOM 1174 CD2 TRP A 80 8.586 3.476 9.222 1.00 63.24 C ATOM 1175 NE1 TRP A 80 6.385 3.191 9.062 1.00 65.30 N ATOM 1176 CE2 TRP A 80 7.427 3.146 9.932 1.00 65.30 C ATOM 1177 CE3 TRP A 80 9.804 3.504 9.896 1.00 11.11 C ATOM 1178 CZ2 TRP A 80 7.443 2.851 11.275 1.00 22.35 C ATOM 1179 CZ3 TRP A 80 9.814 3.214 11.235 1.00 33.25 C ATOM 1180 CH2 TRP A 80 8.637 2.889 11.909 1.00 63.20 C ATOM 0 H TRP A 80 10.547 3.321 4.213 1.00 62.21 H new ATOM 0 HA TRP A 80 10.598 2.638 7.011 1.00 14.34 H new ATOM 0 HB2 TRP A 80 9.711 4.959 7.102 1.00 34.11 H new ATOM 0 HB3 TRP A 80 8.460 4.527 5.954 1.00 34.11 H new ATOM 0 HD1 TRP A 80 6.240 3.633 6.946 1.00 44.11 H new ATOM 0 HE1 TRP A 80 5.411 3.000 9.295 1.00 65.30 H new ATOM 0 HE3 TRP A 80 10.719 3.748 9.376 1.00 11.11 H new ATOM 0 HZ2 TRP A 80 6.536 2.598 11.804 1.00 22.35 H new ATOM 0 HZ3 TRP A 80 10.748 3.237 11.777 1.00 33.25 H new ATOM 0 HH2 TRP A 80 8.680 2.662 12.964 1.00 63.20 H new ATOM 1191 N GLN A 81 8.801 0.976 6.449 1.00 24.40 N ATOM 1192 CA GLN A 81 7.930 -0.079 6.046 1.00 32.11 C ATOM 1193 C GLN A 81 6.581 0.171 6.688 1.00 2.53 C ATOM 1194 O GLN A 81 6.467 0.198 7.908 1.00 33.55 O ATOM 1195 CB GLN A 81 8.517 -1.450 6.395 1.00 41.33 C ATOM 1196 CG GLN A 81 8.914 -1.628 7.849 1.00 43.54 C ATOM 1197 CD GLN A 81 9.518 -2.975 8.098 1.00 61.33 C ATOM 1198 OE1 GLN A 81 8.812 -3.933 8.402 1.00 64.23 O ATOM 1199 NE2 GLN A 81 10.819 -3.068 7.992 1.00 72.24 N ATOM 0 H GLN A 81 9.080 0.945 7.430 1.00 24.40 H new ATOM 0 HA GLN A 81 7.810 -0.090 4.963 1.00 32.11 H new ATOM 0 HB2 GLN A 81 7.787 -2.217 6.137 1.00 41.33 H new ATOM 0 HB3 GLN A 81 9.394 -1.622 5.771 1.00 41.33 H new ATOM 0 HG2 GLN A 81 9.627 -0.852 8.129 1.00 43.54 H new ATOM 0 HG3 GLN A 81 8.037 -1.499 8.484 1.00 43.54 H new ATOM 0 HE21 GLN A 81 11.370 -2.248 7.737 1.00 72.24 H new ATOM 0 HE22 GLN A 81 11.282 -3.960 8.164 1.00 72.24 H new ATOM 1208 N LEU A 82 5.590 0.427 5.860 1.00 74.41 N ATOM 1209 CA LEU A 82 4.264 0.804 6.324 1.00 54.33 C ATOM 1210 C LEU A 82 3.657 -0.211 7.251 1.00 42.12 C ATOM 1211 O LEU A 82 3.662 -1.414 6.974 1.00 55.30 O ATOM 1212 CB LEU A 82 3.296 1.056 5.166 1.00 14.44 C ATOM 1213 CG LEU A 82 3.696 2.142 4.175 1.00 54.31 C ATOM 1214 CD1 LEU A 82 2.561 2.479 3.221 1.00 13.04 C ATOM 1215 CD2 LEU A 82 4.134 3.354 4.915 1.00 34.11 C ATOM 0 H LEU A 82 5.677 0.381 4.845 1.00 74.41 H new ATOM 0 HA LEU A 82 4.414 1.731 6.877 1.00 54.33 H new ATOM 0 HB2 LEU A 82 3.169 0.123 4.618 1.00 14.44 H new ATOM 0 HB3 LEU A 82 2.323 1.316 5.584 1.00 14.44 H new ATOM 0 HG LEU A 82 4.523 1.766 3.572 1.00 54.31 H new ATOM 0 HD11 LEU A 82 2.885 3.257 2.530 1.00 13.04 H new ATOM 0 HD12 LEU A 82 2.282 1.588 2.659 1.00 13.04 H new ATOM 0 HD13 LEU A 82 1.701 2.834 3.789 1.00 13.04 H new ATOM 0 HD21 LEU A 82 4.420 4.130 4.205 1.00 34.11 H new ATOM 0 HD22 LEU A 82 3.316 3.715 5.538 1.00 34.11 H new ATOM 0 HD23 LEU A 82 4.988 3.107 5.545 1.00 34.11 H new ATOM 1227 N ALA A 83 3.135 0.287 8.329 1.00 12.04 N ATOM 1228 CA ALA A 83 2.463 -0.492 9.307 1.00 55.44 C ATOM 1229 C ALA A 83 1.093 0.095 9.484 1.00 12.21 C ATOM 1230 O ALA A 83 0.880 1.278 9.170 1.00 61.05 O ATOM 1231 CB ALA A 83 3.233 -0.475 10.618 1.00 23.44 C ATOM 0 H ALA A 83 3.169 1.281 8.554 1.00 12.04 H new ATOM 0 HA ALA A 83 2.390 -1.532 8.989 1.00 55.44 H new ATOM 0 HB1 ALA A 83 2.705 -1.077 11.358 1.00 23.44 H new ATOM 0 HB2 ALA A 83 4.230 -0.887 10.460 1.00 23.44 H new ATOM 0 HB3 ALA A 83 3.317 0.551 10.977 1.00 23.44 H new ATOM 1237 N ASP A 84 0.165 -0.704 9.929 1.00 62.15 N ATOM 1238 CA ASP A 84 -1.190 -0.239 10.135 1.00 12.13 C ATOM 1239 C ASP A 84 -1.254 0.776 11.248 1.00 15.33 C ATOM 1240 O ASP A 84 -0.732 0.546 12.346 1.00 45.21 O ATOM 1241 CB ASP A 84 -2.138 -1.386 10.439 1.00 14.34 C ATOM 1242 CG ASP A 84 -3.539 -0.884 10.687 1.00 13.13 C ATOM 1243 OD1 ASP A 84 -4.088 -0.193 9.826 1.00 61.15 O ATOM 1244 OD2 ASP A 84 -4.122 -1.183 11.753 1.00 54.23 O ATOM 0 H ASP A 84 0.317 -1.686 10.159 1.00 62.15 H new ATOM 0 HA ASP A 84 -1.505 0.233 9.204 1.00 12.13 H new ATOM 0 HB2 ASP A 84 -2.143 -2.088 9.605 1.00 14.34 H new ATOM 0 HB3 ASP A 84 -1.784 -1.932 11.314 1.00 14.34 H new ATOM 1249 N GLY A 85 -1.859 1.899 10.959 1.00 62.43 N ATOM 1250 CA GLY A 85 -2.025 2.923 11.942 1.00 43.10 C ATOM 1251 C GLY A 85 -0.855 3.858 11.999 1.00 12.12 C ATOM 1252 O GLY A 85 -0.644 4.533 13.023 1.00 3.34 O ATOM 0 H GLY A 85 -2.245 2.123 10.042 1.00 62.43 H new ATOM 0 HA2 GLY A 85 -2.929 3.490 11.722 1.00 43.10 H new ATOM 0 HA3 GLY A 85 -2.167 2.464 12.920 1.00 43.10 H new ATOM 1256 N ASP A 86 -0.058 3.878 10.947 1.00 55.34 N ATOM 1257 CA ASP A 86 1.065 4.798 10.899 1.00 51.03 C ATOM 1258 C ASP A 86 0.567 6.148 10.427 1.00 42.03 C ATOM 1259 O ASP A 86 -0.269 6.219 9.498 1.00 61.22 O ATOM 1260 CB ASP A 86 2.156 4.313 9.943 1.00 42.14 C ATOM 1261 CG ASP A 86 3.498 4.875 10.311 1.00 22.45 C ATOM 1262 OD1 ASP A 86 3.696 6.111 10.255 1.00 62.42 O ATOM 1263 OD2 ASP A 86 4.336 4.082 10.768 1.00 74.22 O ATOM 0 H ASP A 86 -0.163 3.280 10.128 1.00 55.34 H new ATOM 0 HA ASP A 86 1.495 4.863 11.899 1.00 51.03 H new ATOM 0 HB2 ASP A 86 2.199 3.224 9.961 1.00 42.14 H new ATOM 0 HB3 ASP A 86 1.905 4.606 8.924 1.00 42.14 H new ATOM 1268 N VAL A 87 1.023 7.204 11.065 1.00 70.42 N ATOM 1269 CA VAL A 87 0.640 8.533 10.663 1.00 44.41 C ATOM 1270 C VAL A 87 1.757 9.092 9.838 1.00 12.24 C ATOM 1271 O VAL A 87 2.817 9.415 10.353 1.00 30.44 O ATOM 1272 CB VAL A 87 0.406 9.466 11.881 1.00 74.13 C ATOM 1273 CG1 VAL A 87 -0.120 10.827 11.434 1.00 35.51 C ATOM 1274 CG2 VAL A 87 -0.534 8.822 12.880 1.00 62.20 C ATOM 0 H VAL A 87 1.658 7.165 11.862 1.00 70.42 H new ATOM 0 HA VAL A 87 -0.295 8.477 10.106 1.00 44.41 H new ATOM 0 HB VAL A 87 1.365 9.624 12.374 1.00 74.13 H new ATOM 0 HG11 VAL A 87 -0.275 11.461 12.307 1.00 35.51 H new ATOM 0 HG12 VAL A 87 0.604 11.296 10.768 1.00 35.51 H new ATOM 0 HG13 VAL A 87 -1.065 10.697 10.907 1.00 35.51 H new ATOM 0 HG21 VAL A 87 -0.683 9.494 13.725 1.00 62.20 H new ATOM 0 HG22 VAL A 87 -1.493 8.623 12.401 1.00 62.20 H new ATOM 0 HG23 VAL A 87 -0.103 7.885 13.233 1.00 62.20 H new ATOM 1284 N ILE A 88 1.516 9.267 8.598 1.00 53.35 N ATOM 1285 CA ILE A 88 2.537 9.687 7.713 1.00 32.43 C ATOM 1286 C ILE A 88 2.301 11.120 7.315 1.00 23.34 C ATOM 1287 O ILE A 88 1.268 11.462 6.744 1.00 21.23 O ATOM 1288 CB ILE A 88 2.598 8.757 6.493 1.00 35.04 C ATOM 1289 CG1 ILE A 88 2.936 7.352 6.970 1.00 51.31 C ATOM 1290 CG2 ILE A 88 3.615 9.241 5.479 1.00 25.22 C ATOM 1291 CD1 ILE A 88 3.084 6.355 5.874 1.00 72.44 C ATOM 0 H ILE A 88 0.605 9.124 8.163 1.00 53.35 H new ATOM 0 HA ILE A 88 3.504 9.630 8.213 1.00 32.43 H new ATOM 0 HB ILE A 88 1.629 8.755 5.994 1.00 35.04 H new ATOM 0 HG12 ILE A 88 3.864 7.388 7.541 1.00 51.31 H new ATOM 0 HG13 ILE A 88 2.155 7.014 7.651 1.00 51.31 H new ATOM 0 HG21 ILE A 88 3.633 8.560 4.628 1.00 25.22 H new ATOM 0 HG22 ILE A 88 3.342 10.240 5.139 1.00 25.22 H new ATOM 0 HG23 ILE A 88 4.602 9.271 5.940 1.00 25.22 H new ATOM 0 HD11 ILE A 88 3.324 5.380 6.299 1.00 72.44 H new ATOM 0 HD12 ILE A 88 2.150 6.287 5.315 1.00 72.44 H new ATOM 0 HD13 ILE A 88 3.886 6.667 5.204 1.00 72.44 H new ATOM 1303 N ARG A 89 3.228 11.955 7.645 1.00 22.14 N ATOM 1304 CA ARG A 89 3.097 13.352 7.404 1.00 55.23 C ATOM 1305 C ARG A 89 4.075 13.797 6.357 1.00 43.51 C ATOM 1306 O ARG A 89 5.287 13.842 6.574 1.00 44.32 O ATOM 1307 CB ARG A 89 3.238 14.128 8.714 1.00 23.45 C ATOM 1308 CG ARG A 89 2.146 13.758 9.700 1.00 1.23 C ATOM 1309 CD ARG A 89 2.368 14.321 11.093 1.00 72.04 C ATOM 1310 NE ARG A 89 2.375 15.786 11.148 1.00 34.41 N ATOM 1311 CZ ARG A 89 1.923 16.507 12.193 1.00 10.42 C ATOM 1312 NH1 ARG A 89 1.301 15.906 13.210 1.00 31.52 N ATOM 1313 NH2 ARG A 89 2.071 17.827 12.208 1.00 4.21 N ATOM 0 H ARG A 89 4.104 11.685 8.093 1.00 22.14 H new ATOM 0 HA ARG A 89 2.102 13.563 7.013 1.00 55.23 H new ATOM 0 HB2 ARG A 89 4.213 13.924 9.156 1.00 23.45 H new ATOM 0 HB3 ARG A 89 3.198 15.198 8.510 1.00 23.45 H new ATOM 0 HG2 ARG A 89 1.189 14.116 9.321 1.00 1.23 H new ATOM 0 HG3 ARG A 89 2.078 12.672 9.763 1.00 1.23 H new ATOM 0 HD2 ARG A 89 1.587 13.946 11.754 1.00 72.04 H new ATOM 0 HD3 ARG A 89 3.317 13.948 11.478 1.00 72.04 H new ATOM 0 HE ARG A 89 2.746 16.292 10.344 1.00 34.41 H new ATOM 0 HH11 ARG A 89 1.165 14.895 13.199 1.00 31.52 H new ATOM 0 HH12 ARG A 89 0.961 16.458 13.998 1.00 31.52 H new ATOM 0 HH21 ARG A 89 2.528 18.298 11.427 1.00 4.21 H new ATOM 0 HH22 ARG A 89 1.728 18.370 13.000 1.00 4.21 H new ATOM 1327 N LEU A 90 3.550 14.059 5.223 1.00 63.41 N ATOM 1328 CA LEU A 90 4.291 14.533 4.087 1.00 3.21 C ATOM 1329 C LEU A 90 3.944 15.975 3.868 1.00 21.14 C ATOM 1330 O LEU A 90 3.007 16.440 4.492 1.00 54.13 O ATOM 1331 CB LEU A 90 4.099 13.669 2.801 1.00 45.31 C ATOM 1332 CG LEU A 90 2.681 13.280 2.348 1.00 21.03 C ATOM 1333 CD1 LEU A 90 2.731 12.801 0.915 1.00 42.24 C ATOM 1334 CD2 LEU A 90 2.132 12.144 3.202 1.00 31.34 C ATOM 0 H LEU A 90 2.553 13.950 5.038 1.00 63.41 H new ATOM 0 HA LEU A 90 5.354 14.437 4.306 1.00 3.21 H new ATOM 0 HB2 LEU A 90 4.569 14.204 1.976 1.00 45.31 H new ATOM 0 HB3 LEU A 90 4.660 12.745 2.942 1.00 45.31 H new ATOM 0 HG LEU A 90 2.039 14.155 2.448 1.00 21.03 H new ATOM 0 HD11 LEU A 90 1.729 12.524 0.589 1.00 42.24 H new ATOM 0 HD12 LEU A 90 3.112 13.599 0.278 1.00 42.24 H new ATOM 0 HD13 LEU A 90 3.388 11.934 0.844 1.00 42.24 H new ATOM 0 HD21 LEU A 90 1.129 11.886 2.863 1.00 31.34 H new ATOM 0 HD22 LEU A 90 2.781 11.273 3.110 1.00 31.34 H new ATOM 0 HD23 LEU A 90 2.093 12.459 4.245 1.00 31.34 H new ATOM 1346 N GLY A 91 4.754 16.680 3.071 1.00 24.33 N ATOM 1347 CA GLY A 91 4.595 18.128 2.777 1.00 43.13 C ATOM 1348 C GLY A 91 3.164 18.670 2.846 1.00 32.01 C ATOM 1349 O GLY A 91 2.394 18.586 1.873 1.00 61.11 O ATOM 0 H GLY A 91 5.556 16.263 2.599 1.00 24.33 H new ATOM 0 HA2 GLY A 91 5.211 18.691 3.478 1.00 43.13 H new ATOM 0 HA3 GLY A 91 4.989 18.322 1.779 1.00 43.13 H new ATOM 1353 N HIS A 92 2.807 19.144 4.055 1.00 54.33 N ATOM 1354 CA HIS A 92 1.518 19.771 4.389 1.00 51.03 C ATOM 1355 C HIS A 92 0.308 18.806 4.160 1.00 31.11 C ATOM 1356 O HIS A 92 -0.864 19.191 4.256 1.00 2.34 O ATOM 1357 CB HIS A 92 1.387 21.112 3.625 1.00 53.13 C ATOM 1358 CG HIS A 92 0.182 21.935 3.961 1.00 51.32 C ATOM 1359 ND1 HIS A 92 -0.643 22.473 3.018 1.00 22.11 N ATOM 1360 CD2 HIS A 92 -0.314 22.318 5.162 1.00 74.42 C ATOM 1361 CE1 HIS A 92 -1.605 23.153 3.640 1.00 33.23 C ATOM 1362 NE2 HIS A 92 -1.450 23.093 4.955 1.00 4.43 N ATOM 0 H HIS A 92 3.436 19.098 4.857 1.00 54.33 H new ATOM 0 HA HIS A 92 1.496 19.989 5.457 1.00 51.03 H new ATOM 0 HB2 HIS A 92 2.278 21.709 3.820 1.00 53.13 H new ATOM 0 HB3 HIS A 92 1.373 20.900 2.556 1.00 53.13 H new ATOM 0 HD1 HIS A 92 -0.541 22.372 2.008 1.00 22.11 H new ATOM 0 HD2 HIS A 92 0.105 22.063 6.124 1.00 74.42 H new ATOM 0 HE1 HIS A 92 -2.403 23.682 3.140 1.00 33.23 H new ATOM 1370 N SER A 93 0.596 17.560 3.951 1.00 51.54 N ATOM 1371 CA SER A 93 -0.407 16.580 3.668 1.00 62.45 C ATOM 1372 C SER A 93 -0.180 15.374 4.565 1.00 52.23 C ATOM 1373 O SER A 93 0.834 14.708 4.466 1.00 35.44 O ATOM 1374 CB SER A 93 -0.292 16.166 2.203 1.00 20.12 C ATOM 1375 OG SER A 93 -0.227 17.314 1.352 1.00 73.32 O ATOM 0 H SER A 93 1.546 17.189 3.972 1.00 51.54 H new ATOM 0 HA SER A 93 -1.401 16.987 3.852 1.00 62.45 H new ATOM 0 HB2 SER A 93 0.599 15.553 2.063 1.00 20.12 H new ATOM 0 HB3 SER A 93 -1.148 15.551 1.926 1.00 20.12 H new ATOM 0 HG SER A 93 0.652 17.738 1.441 1.00 73.32 H new ATOM 1381 N GLU A 94 -1.073 15.120 5.459 1.00 53.01 N ATOM 1382 CA GLU A 94 -0.919 13.979 6.320 1.00 11.21 C ATOM 1383 C GLU A 94 -1.871 12.877 5.925 1.00 32.13 C ATOM 1384 O GLU A 94 -3.043 13.129 5.605 1.00 21.21 O ATOM 1385 CB GLU A 94 -1.016 14.355 7.791 1.00 21.34 C ATOM 1386 CG GLU A 94 -2.266 15.096 8.186 1.00 60.52 C ATOM 1387 CD GLU A 94 -2.246 15.445 9.638 1.00 41.40 C ATOM 1388 OE1 GLU A 94 -1.601 16.440 10.005 1.00 0.01 O ATOM 1389 OE2 GLU A 94 -2.864 14.721 10.438 1.00 5.55 O ATOM 0 H GLU A 94 -1.913 15.676 5.619 1.00 53.01 H new ATOM 0 HA GLU A 94 0.090 13.588 6.186 1.00 11.21 H new ATOM 0 HB2 GLU A 94 -0.950 13.445 8.387 1.00 21.34 H new ATOM 0 HB3 GLU A 94 -0.153 14.968 8.050 1.00 21.34 H new ATOM 0 HG2 GLU A 94 -2.357 16.005 7.591 1.00 60.52 H new ATOM 0 HG3 GLU A 94 -3.141 14.483 7.968 1.00 60.52 H new ATOM 1396 N ILE A 95 -1.364 11.679 5.917 1.00 14.42 N ATOM 1397 CA ILE A 95 -2.096 10.541 5.466 1.00 71.14 C ATOM 1398 C ILE A 95 -1.996 9.436 6.530 1.00 54.21 C ATOM 1399 O ILE A 95 -0.989 9.343 7.253 1.00 13.53 O ATOM 1400 CB ILE A 95 -1.509 10.054 4.088 1.00 10.25 C ATOM 1401 CG1 ILE A 95 -2.428 9.077 3.385 1.00 22.20 C ATOM 1402 CG2 ILE A 95 -0.121 9.447 4.229 1.00 34.42 C ATOM 1403 CD1 ILE A 95 -3.707 9.705 2.904 1.00 21.12 C ATOM 0 H ILE A 95 -0.416 11.466 6.229 1.00 14.42 H new ATOM 0 HA ILE A 95 -3.146 10.795 5.319 1.00 71.14 H new ATOM 0 HB ILE A 95 -1.427 10.951 3.474 1.00 10.25 H new ATOM 0 HG12 ILE A 95 -1.903 8.642 2.535 1.00 22.20 H new ATOM 0 HG13 ILE A 95 -2.666 8.259 4.065 1.00 22.20 H new ATOM 0 HG21 ILE A 95 0.238 9.128 3.250 1.00 34.42 H new ATOM 0 HG22 ILE A 95 0.561 10.191 4.640 1.00 34.42 H new ATOM 0 HG23 ILE A 95 -0.166 8.587 4.897 1.00 34.42 H new ATOM 0 HD11 ILE A 95 -4.319 8.951 2.410 1.00 21.12 H new ATOM 0 HD12 ILE A 95 -4.253 10.116 3.754 1.00 21.12 H new ATOM 0 HD13 ILE A 95 -3.477 10.504 2.200 1.00 21.12 H new ATOM 1415 N ILE A 96 -3.033 8.660 6.676 1.00 74.50 N ATOM 1416 CA ILE A 96 -3.015 7.563 7.609 1.00 15.23 C ATOM 1417 C ILE A 96 -3.045 6.262 6.828 1.00 61.20 C ATOM 1418 O ILE A 96 -3.818 6.126 5.869 1.00 53.44 O ATOM 1419 CB ILE A 96 -4.221 7.624 8.589 1.00 2.32 C ATOM 1420 CG1 ILE A 96 -4.185 8.932 9.396 1.00 35.33 C ATOM 1421 CG2 ILE A 96 -4.218 6.419 9.529 1.00 33.12 C ATOM 1422 CD1 ILE A 96 -5.367 9.121 10.326 1.00 45.20 C ATOM 0 H ILE A 96 -3.906 8.766 6.159 1.00 74.50 H new ATOM 0 HA ILE A 96 -2.106 7.626 8.208 1.00 15.23 H new ATOM 0 HB ILE A 96 -5.140 7.597 8.004 1.00 2.32 H new ATOM 0 HG12 ILE A 96 -3.267 8.958 9.983 1.00 35.33 H new ATOM 0 HG13 ILE A 96 -4.144 9.772 8.703 1.00 35.33 H new ATOM 0 HG21 ILE A 96 -5.070 6.483 10.205 1.00 33.12 H new ATOM 0 HG22 ILE A 96 -4.287 5.501 8.945 1.00 33.12 H new ATOM 0 HG23 ILE A 96 -3.295 6.412 10.108 1.00 33.12 H new ATOM 0 HD11 ILE A 96 -5.264 10.067 10.857 1.00 45.20 H new ATOM 0 HD12 ILE A 96 -6.289 9.129 9.745 1.00 45.20 H new ATOM 0 HD13 ILE A 96 -5.399 8.303 11.045 1.00 45.20 H new ATOM 1434 N VAL A 97 -2.187 5.343 7.193 1.00 55.42 N ATOM 1435 CA VAL A 97 -2.135 4.051 6.560 1.00 44.55 C ATOM 1436 C VAL A 97 -3.038 3.082 7.292 1.00 30.25 C ATOM 1437 O VAL A 97 -2.811 2.769 8.466 1.00 3.45 O ATOM 1438 CB VAL A 97 -0.689 3.502 6.515 1.00 65.31 C ATOM 1439 CG1 VAL A 97 -0.660 2.072 5.999 1.00 64.20 C ATOM 1440 CG2 VAL A 97 0.155 4.376 5.622 1.00 40.44 C ATOM 0 H VAL A 97 -1.504 5.471 7.939 1.00 55.42 H new ATOM 0 HA VAL A 97 -2.482 4.163 5.533 1.00 44.55 H new ATOM 0 HB VAL A 97 -0.289 3.509 7.529 1.00 65.31 H new ATOM 0 HG11 VAL A 97 0.369 1.713 5.979 1.00 64.20 H new ATOM 0 HG12 VAL A 97 -1.253 1.436 6.656 1.00 64.20 H new ATOM 0 HG13 VAL A 97 -1.075 2.040 4.992 1.00 64.20 H new ATOM 0 HG21 VAL A 97 1.173 3.989 5.591 1.00 40.44 H new ATOM 0 HG22 VAL A 97 -0.263 4.379 4.615 1.00 40.44 H new ATOM 0 HG23 VAL A 97 0.166 5.393 6.013 1.00 40.44 H new ATOM 1450 N ARG A 98 -4.064 2.643 6.624 1.00 11.30 N ATOM 1451 CA ARG A 98 -4.995 1.712 7.190 1.00 64.13 C ATOM 1452 C ARG A 98 -4.935 0.408 6.459 1.00 4.12 C ATOM 1453 O ARG A 98 -5.084 0.355 5.235 1.00 30.13 O ATOM 1454 CB ARG A 98 -6.404 2.292 7.177 1.00 40.13 C ATOM 1455 CG ARG A 98 -6.539 3.507 8.067 1.00 44.53 C ATOM 1456 CD ARG A 98 -6.385 3.133 9.533 1.00 33.42 C ATOM 1457 NE ARG A 98 -7.538 2.374 10.020 1.00 34.31 N ATOM 1458 CZ ARG A 98 -7.496 1.302 10.817 1.00 51.51 C ATOM 1459 NH1 ARG A 98 -6.372 0.626 10.999 1.00 14.03 N ATOM 1460 NH2 ARG A 98 -8.613 0.847 11.351 1.00 23.31 N ATOM 0 H ARG A 98 -4.279 2.922 5.667 1.00 11.30 H new ATOM 0 HA ARG A 98 -4.721 1.527 8.229 1.00 64.13 H new ATOM 0 HB2 ARG A 98 -6.673 2.562 6.156 1.00 40.13 H new ATOM 0 HB3 ARG A 98 -7.111 1.528 7.501 1.00 40.13 H new ATOM 0 HG2 ARG A 98 -5.785 4.246 7.796 1.00 44.53 H new ATOM 0 HG3 ARG A 98 -7.512 3.972 7.908 1.00 44.53 H new ATOM 0 HD2 ARG A 98 -5.478 2.543 9.665 1.00 33.42 H new ATOM 0 HD3 ARG A 98 -6.266 4.038 10.129 1.00 33.42 H new ATOM 0 HE ARG A 98 -8.460 2.693 9.723 1.00 34.31 H new ATOM 0 HH11 ARG A 98 -5.517 0.921 10.527 1.00 14.03 H new ATOM 0 HH12 ARG A 98 -6.361 -0.190 11.611 1.00 14.03 H new ATOM 0 HH21 ARG A 98 -9.499 1.313 11.154 1.00 23.31 H new ATOM 0 HH22 ARG A 98 -8.591 0.029 11.961 1.00 23.31 H new ATOM 1474 N MET A 99 -4.661 -0.622 7.187 1.00 63.13 N ATOM 1475 CA MET A 99 -4.602 -1.940 6.637 1.00 53.43 C ATOM 1476 C MET A 99 -5.851 -2.701 6.959 1.00 74.05 C ATOM 1477 O MET A 99 -6.272 -2.789 8.127 1.00 23.23 O ATOM 1478 CB MET A 99 -3.373 -2.717 7.102 1.00 22.31 C ATOM 1479 CG MET A 99 -2.065 -2.160 6.598 1.00 32.02 C ATOM 1480 SD MET A 99 -0.664 -3.200 7.045 1.00 41.44 S ATOM 1481 CE MET A 99 0.665 -2.304 6.257 1.00 70.43 C ATOM 0 H MET A 99 -4.470 -0.576 8.188 1.00 63.13 H new ATOM 0 HA MET A 99 -4.518 -1.826 5.556 1.00 53.43 H new ATOM 0 HB2 MET A 99 -3.355 -2.729 8.192 1.00 22.31 H new ATOM 0 HB3 MET A 99 -3.465 -3.752 6.774 1.00 22.31 H new ATOM 0 HG2 MET A 99 -2.109 -2.059 5.514 1.00 32.02 H new ATOM 0 HG3 MET A 99 -1.917 -1.160 7.005 1.00 32.02 H new ATOM 0 HE1 MET A 99 1.603 -2.838 6.408 1.00 70.43 H new ATOM 0 HE2 MET A 99 0.464 -2.219 5.189 1.00 70.43 H new ATOM 0 HE3 MET A 99 0.740 -1.307 6.692 1.00 70.43 H new ATOM 1491 N HIS A 100 -6.453 -3.204 5.931 1.00 71.42 N ATOM 1492 CA HIS A 100 -7.648 -3.995 6.016 1.00 35.14 C ATOM 1493 C HIS A 100 -7.281 -5.386 6.463 1.00 24.34 C ATOM 1494 O HIS A 100 -6.572 -6.087 5.711 1.00 72.32 O ATOM 1495 CB HIS A 100 -8.383 -4.023 4.667 1.00 12.00 C ATOM 1496 CG HIS A 100 -8.950 -2.692 4.247 1.00 55.21 C ATOM 1497 ND1 HIS A 100 -10.201 -2.529 3.708 1.00 2.40 N ATOM 1498 CD2 HIS A 100 -8.398 -1.451 4.277 1.00 52.44 C ATOM 1499 CE1 HIS A 100 -10.377 -1.238 3.434 1.00 24.53 C ATOM 1500 NE2 HIS A 100 -9.304 -0.532 3.765 1.00 31.25 N ATOM 1501 OXT HIS A 100 -7.662 -5.784 7.589 1.00 37.96 O ATOM 0 H HIS A 100 -6.120 -3.074 4.976 1.00 71.42 H new ATOM 0 HA HIS A 100 -8.327 -3.551 6.744 1.00 35.14 H new ATOM 0 HB2 HIS A 100 -7.694 -4.371 3.897 1.00 12.00 H new ATOM 0 HB3 HIS A 100 -9.193 -4.750 4.722 1.00 12.00 H new ATOM 0 HD1 HIS A 100 -10.881 -3.271 3.545 1.00 2.40 H new ATOM 0 HD2 HIS A 100 -7.409 -1.216 4.642 1.00 52.44 H new ATOM 0 HE1 HIS A 100 -11.274 -0.821 3.000 1.00 24.53 H new