USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 811 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.444 K(o=-0.44,f=-0.97) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 7 TYR OH : rot 90:sc= -1.52 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.015 X(o=-0.015,f=0) USER MOD Single : A 17 THR OG1 : rot 74:sc= 1.24 USER MOD Single : A 24 GLN : amide:sc= -0.282 X(o=-0.28,f=-0.76) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.0226 USER MOD Single : A 42 SER OG : rot 120:sc= 0.191 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -1.13 K(o=-1.1,f=-3.3!) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 ASN : amide:sc= -0.163 X(o=-0.16,f=0.26) USER MOD Single : A 62 SER OG : rot -97:sc= 0.438 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc=-0.00298 X(o=-0.003,f=-0.015) USER MOD Single : A 89 GLN :FLIP amide:sc= -0.844 F(o=-2!,f=-0.84) USER MOD Single : A 92 HIS : no HD1:sc= -0.142 X(o=-0.14,f=-0.02) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=-0.0048) USER MOD Single : A 103 ASN : amide:sc= -0.0515 X(o=-0.052,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.080 0.672 -0.267 1.00 53.23 N ATOM 2 CA GLY A 1 1.845 0.154 0.851 1.00 21.52 C ATOM 3 C GLY A 1 3.333 0.114 0.567 1.00 45.42 C ATOM 4 O GLY A 1 4.044 1.089 0.808 1.00 0.14 O ATOM 0 H1 GLY A 1 0.069 0.679 -0.022 1.00 53.23 H new ATOM 0 H2 GLY A 1 1.391 1.641 -0.481 1.00 53.23 H new ATOM 0 H3 GLY A 1 1.231 0.068 -1.100 1.00 53.23 H new ATOM 0 HA2 GLY A 1 1.663 0.773 1.730 1.00 21.52 H new ATOM 0 HA3 GLY A 1 1.497 -0.851 1.091 1.00 21.52 H new ATOM 8 N ASN A 2 3.807 -1.017 0.053 1.00 13.53 N ATOM 9 CA ASN A 2 5.221 -1.180 -0.262 1.00 42.32 C ATOM 10 C ASN A 2 5.406 -2.066 -1.490 1.00 70.11 C ATOM 11 O ASN A 2 4.777 -3.117 -1.610 1.00 33.20 O ATOM 12 CB ASN A 2 5.965 -1.781 0.932 1.00 62.33 C ATOM 13 CG ASN A 2 5.963 -0.862 2.138 1.00 51.35 C ATOM 14 OD1 ASN A 2 4.982 -0.793 2.878 1.00 73.11 O ATOM 15 ND2 ASN A 2 7.065 -0.149 2.340 1.00 51.11 N ATOM 0 H ASN A 2 3.232 -1.834 -0.154 1.00 13.53 H new ATOM 0 HA ASN A 2 5.635 -0.196 -0.481 1.00 42.32 H new ATOM 0 HB2 ASN A 2 5.505 -2.731 1.202 1.00 62.33 H new ATOM 0 HB3 ASN A 2 6.994 -1.996 0.644 1.00 62.33 H new ATOM 0 HD21 ASN A 2 7.122 0.488 3.135 1.00 51.11 H new ATOM 0 HD22 ASN A 2 7.855 -0.238 1.700 1.00 51.11 H new ATOM 22 N SER A 3 6.274 -1.635 -2.400 1.00 11.54 N ATOM 23 CA SER A 3 6.540 -2.387 -3.620 1.00 52.10 C ATOM 24 C SER A 3 8.041 -2.517 -3.862 1.00 34.32 C ATOM 25 O SER A 3 8.550 -3.614 -4.090 1.00 34.20 O ATOM 26 CB SER A 3 5.876 -1.706 -4.819 1.00 31.53 C ATOM 27 OG SER A 3 4.544 -1.329 -4.517 1.00 53.13 O ATOM 0 H SER A 3 6.805 -0.768 -2.315 1.00 11.54 H new ATOM 0 HA SER A 3 6.121 -3.386 -3.500 1.00 52.10 H new ATOM 0 HB2 SER A 3 6.451 -0.825 -5.105 1.00 31.53 H new ATOM 0 HB3 SER A 3 5.881 -2.382 -5.674 1.00 31.53 H new ATOM 0 HG SER A 3 4.142 -0.895 -5.298 1.00 53.13 H new ATOM 33 N GLN A 4 8.742 -1.390 -3.810 1.00 0.42 N ATOM 34 CA GLN A 4 10.184 -1.377 -4.024 1.00 23.12 C ATOM 35 C GLN A 4 10.929 -1.703 -2.733 1.00 50.43 C ATOM 36 O GLN A 4 10.946 -0.903 -1.797 1.00 22.11 O ATOM 37 CB GLN A 4 10.631 -0.014 -4.554 1.00 53.52 C ATOM 38 CG GLN A 4 11.637 -0.102 -5.690 1.00 23.31 C ATOM 39 CD GLN A 4 12.201 1.251 -6.077 1.00 25.43 C ATOM 40 OE1 GLN A 4 12.054 2.230 -5.345 1.00 21.22 O ATOM 41 NE2 GLN A 4 12.853 1.312 -7.232 1.00 54.33 N ATOM 0 H GLN A 4 8.335 -0.474 -3.622 1.00 0.42 H new ATOM 0 HA GLN A 4 10.422 -2.142 -4.763 1.00 23.12 H new ATOM 0 HB2 GLN A 4 9.756 0.538 -4.897 1.00 53.52 H new ATOM 0 HB3 GLN A 4 11.068 0.559 -3.736 1.00 53.52 H new ATOM 0 HG2 GLN A 4 12.454 -0.761 -5.396 1.00 23.31 H new ATOM 0 HG3 GLN A 4 11.159 -0.554 -6.559 1.00 23.31 H new ATOM 0 HE21 GLN A 4 12.951 0.475 -7.807 1.00 54.33 H new ATOM 0 HE22 GLN A 4 13.256 2.196 -7.544 1.00 54.33 H new ATOM 50 N ILE A 5 11.542 -2.880 -2.691 1.00 24.50 N ATOM 51 CA ILE A 5 12.289 -3.311 -1.515 1.00 50.43 C ATOM 52 C ILE A 5 13.638 -3.904 -1.908 1.00 34.45 C ATOM 53 O ILE A 5 13.751 -4.604 -2.915 1.00 31.14 O ATOM 54 CB ILE A 5 11.501 -4.351 -0.698 1.00 10.15 C ATOM 55 CG1 ILE A 5 10.057 -3.887 -0.497 1.00 52.33 C ATOM 56 CG2 ILE A 5 12.177 -4.592 0.644 1.00 15.01 C ATOM 57 CD1 ILE A 5 9.938 -2.612 0.309 1.00 61.23 C ATOM 0 H ILE A 5 11.537 -3.553 -3.457 1.00 24.50 H new ATOM 0 HA ILE A 5 12.450 -2.425 -0.900 1.00 50.43 H new ATOM 0 HB ILE A 5 11.487 -5.290 -1.251 1.00 10.15 H new ATOM 0 HG12 ILE A 5 9.594 -3.735 -1.472 1.00 52.33 H new ATOM 0 HG13 ILE A 5 9.496 -4.677 0.003 1.00 52.33 H new ATOM 0 HG21 ILE A 5 11.609 -5.330 1.211 1.00 15.01 H new ATOM 0 HG22 ILE A 5 13.189 -4.962 0.480 1.00 15.01 H new ATOM 0 HG23 ILE A 5 12.218 -3.658 1.204 1.00 15.01 H new ATOM 0 HD11 ILE A 5 8.887 -2.343 0.411 1.00 61.23 H new ATOM 0 HD12 ILE A 5 10.371 -2.765 1.297 1.00 61.23 H new ATOM 0 HD13 ILE A 5 10.470 -1.809 -0.200 1.00 61.23 H new ATOM 69 N HIS A 6 14.658 -3.622 -1.104 1.00 65.32 N ATOM 70 CA HIS A 6 16.000 -4.131 -1.366 1.00 4.42 C ATOM 71 C HIS A 6 16.683 -4.555 -0.069 1.00 1.30 C ATOM 72 O HIS A 6 16.377 -4.034 1.004 1.00 22.31 O ATOM 73 CB HIS A 6 16.841 -3.069 -2.075 1.00 45.21 C ATOM 74 CG HIS A 6 16.801 -1.728 -1.408 1.00 74.41 C ATOM 75 ND1 HIS A 6 15.811 -0.799 -1.647 1.00 52.33 N ATOM 76 CD2 HIS A 6 17.634 -1.164 -0.504 1.00 5.14 C ATOM 77 CE1 HIS A 6 16.039 0.281 -0.920 1.00 74.52 C ATOM 78 NE2 HIS A 6 17.139 0.084 -0.217 1.00 1.43 N ATOM 0 H HIS A 6 14.581 -3.045 -0.267 1.00 65.32 H new ATOM 0 HA HIS A 6 15.911 -5.005 -2.012 1.00 4.42 H new ATOM 0 HB2 HIS A 6 17.875 -3.410 -2.125 1.00 45.21 H new ATOM 0 HB3 HIS A 6 16.490 -2.965 -3.102 1.00 45.21 H new ATOM 0 HD2 HIS A 6 18.523 -1.612 -0.086 1.00 5.14 H new ATOM 0 HE1 HIS A 6 15.430 1.172 -0.904 1.00 74.52 H new ATOM 0 HE2 HIS A 6 17.554 0.751 0.434 1.00 1.43 H new ATOM 86 N TYR A 7 17.608 -5.502 -0.176 1.00 32.34 N ATOM 87 CA TYR A 7 18.331 -5.999 0.989 1.00 43.40 C ATOM 88 C TYR A 7 19.838 -5.947 0.757 1.00 43.30 C ATOM 89 O TYR A 7 20.298 -5.695 -0.357 1.00 31.41 O ATOM 90 CB TYR A 7 17.902 -7.431 1.309 1.00 24.54 C ATOM 91 CG TYR A 7 16.409 -7.652 1.217 1.00 4.44 C ATOM 92 CD1 TYR A 7 15.518 -6.747 1.780 1.00 53.10 C ATOM 93 CD2 TYR A 7 15.890 -8.764 0.567 1.00 64.34 C ATOM 94 CE1 TYR A 7 14.153 -6.945 1.699 1.00 51.42 C ATOM 95 CE2 TYR A 7 14.527 -8.969 0.479 1.00 30.32 C ATOM 96 CZ TYR A 7 13.662 -8.057 1.047 1.00 25.03 C ATOM 97 OH TYR A 7 12.304 -8.257 0.963 1.00 14.21 O ATOM 0 H TYR A 7 17.875 -5.941 -1.057 1.00 32.34 H new ATOM 0 HA TYR A 7 18.089 -5.357 1.836 1.00 43.40 H new ATOM 0 HB2 TYR A 7 18.405 -8.113 0.623 1.00 24.54 H new ATOM 0 HB3 TYR A 7 18.237 -7.685 2.315 1.00 24.54 H new ATOM 0 HD1 TYR A 7 15.899 -5.874 2.289 1.00 53.10 H new ATOM 0 HD2 TYR A 7 16.564 -9.481 0.122 1.00 64.34 H new ATOM 0 HE1 TYR A 7 13.474 -6.233 2.144 1.00 51.42 H new ATOM 0 HE2 TYR A 7 14.141 -9.839 -0.032 1.00 30.32 H new ATOM 0 HH TYR A 7 11.960 -7.830 0.151 1.00 14.21 H new ATOM 107 N SER A 8 20.602 -6.187 1.818 1.00 63.12 N ATOM 108 CA SER A 8 22.058 -6.165 1.732 1.00 11.13 C ATOM 109 C SER A 8 22.649 -7.498 2.181 1.00 12.01 C ATOM 110 O SER A 8 22.269 -8.039 3.220 1.00 60.10 O ATOM 111 CB SER A 8 22.623 -5.030 2.588 1.00 11.31 C ATOM 112 OG SER A 8 23.086 -3.963 1.779 1.00 52.43 O ATOM 0 H SER A 8 20.237 -6.399 2.747 1.00 63.12 H new ATOM 0 HA SER A 8 22.333 -5.998 0.691 1.00 11.13 H new ATOM 0 HB2 SER A 8 21.854 -4.667 3.269 1.00 11.31 H new ATOM 0 HB3 SER A 8 23.441 -5.406 3.202 1.00 11.31 H new ATOM 0 HG SER A 8 23.441 -3.250 2.350 1.00 52.43 H new ATOM 118 N ILE A 9 23.580 -8.021 1.391 1.00 72.33 N ATOM 119 CA ILE A 9 24.224 -9.290 1.706 1.00 3.15 C ATOM 120 C ILE A 9 25.592 -9.393 1.040 1.00 1.50 C ATOM 121 O ILE A 9 25.713 -9.419 -0.185 1.00 11.51 O ATOM 122 CB ILE A 9 23.360 -10.486 1.265 1.00 11.25 C ATOM 123 CG1 ILE A 9 24.155 -11.788 1.380 1.00 2.21 C ATOM 124 CG2 ILE A 9 22.865 -10.285 -0.159 1.00 51.30 C ATOM 125 CD1 ILE A 9 24.584 -12.112 2.794 1.00 15.22 C ATOM 0 H ILE A 9 23.905 -7.586 0.528 1.00 72.33 H new ATOM 0 HA ILE A 9 24.346 -9.321 2.789 1.00 3.15 H new ATOM 0 HB ILE A 9 22.494 -10.552 1.924 1.00 11.25 H new ATOM 0 HG12 ILE A 9 23.550 -12.609 0.996 1.00 2.21 H new ATOM 0 HG13 ILE A 9 25.040 -11.721 0.747 1.00 2.21 H new ATOM 0 HG21 ILE A 9 22.256 -11.139 -0.456 1.00 51.30 H new ATOM 0 HG22 ILE A 9 22.266 -9.376 -0.211 1.00 51.30 H new ATOM 0 HG23 ILE A 9 23.718 -10.196 -0.832 1.00 51.30 H new ATOM 0 HD11 ILE A 9 25.143 -13.048 2.799 1.00 15.22 H new ATOM 0 HD12 ILE A 9 25.216 -11.310 3.175 1.00 15.22 H new ATOM 0 HD13 ILE A 9 23.703 -12.212 3.428 1.00 15.22 H new ATOM 137 N PRO A 10 26.649 -9.454 1.864 1.00 34.10 N ATOM 138 CA PRO A 10 28.027 -9.558 1.377 1.00 44.40 C ATOM 139 C PRO A 10 28.318 -10.914 0.744 1.00 42.13 C ATOM 140 O PRO A 10 27.820 -11.942 1.201 1.00 12.32 O ATOM 141 CB PRO A 10 28.866 -9.368 2.643 1.00 1.23 C ATOM 142 CG PRO A 10 27.974 -9.797 3.756 1.00 31.24 C ATOM 143 CD PRO A 10 26.579 -9.428 3.335 1.00 74.13 C ATOM 0 HA PRO A 10 28.239 -8.829 0.595 1.00 44.40 H new ATOM 0 HB2 PRO A 10 29.775 -9.969 2.610 1.00 1.23 H new ATOM 0 HB3 PRO A 10 29.175 -8.329 2.761 1.00 1.23 H new ATOM 0 HG2 PRO A 10 28.058 -10.869 3.932 1.00 31.24 H new ATOM 0 HG3 PRO A 10 28.245 -9.299 4.687 1.00 31.24 H new ATOM 0 HD2 PRO A 10 25.844 -10.137 3.715 1.00 74.13 H new ATOM 0 HD3 PRO A 10 26.294 -8.444 3.707 1.00 74.13 H new ATOM 151 N GLU A 11 29.128 -10.908 -0.310 1.00 61.45 N ATOM 152 CA GLU A 11 29.484 -12.140 -1.006 1.00 2.42 C ATOM 153 C GLU A 11 29.955 -13.205 -0.020 1.00 4.43 C ATOM 154 O GLU A 11 30.196 -12.916 1.152 1.00 22.31 O ATOM 155 CB GLU A 11 30.577 -11.869 -2.042 1.00 3.33 C ATOM 156 CG GLU A 11 31.933 -11.559 -1.429 1.00 52.42 C ATOM 157 CD GLU A 11 32.763 -12.805 -1.188 1.00 14.44 C ATOM 158 OE1 GLU A 11 32.573 -13.795 -1.924 1.00 72.14 O ATOM 159 OE2 GLU A 11 33.601 -12.790 -0.262 1.00 50.44 O ATOM 0 H GLU A 11 29.550 -10.065 -0.700 1.00 61.45 H new ATOM 0 HA GLU A 11 28.594 -12.510 -1.516 1.00 2.42 H new ATOM 0 HB2 GLU A 11 30.672 -12.738 -2.693 1.00 3.33 H new ATOM 0 HB3 GLU A 11 30.271 -11.032 -2.670 1.00 3.33 H new ATOM 0 HG2 GLU A 11 32.480 -10.885 -2.088 1.00 52.42 H new ATOM 0 HG3 GLU A 11 31.789 -11.034 -0.484 1.00 52.42 H new ATOM 166 N GLU A 12 30.084 -14.436 -0.504 1.00 52.10 N ATOM 167 CA GLU A 12 30.525 -15.544 0.335 1.00 33.01 C ATOM 168 C GLU A 12 29.482 -15.867 1.402 1.00 61.14 C ATOM 169 O GLU A 12 29.798 -16.456 2.435 1.00 72.32 O ATOM 170 CB GLU A 12 31.862 -15.210 0.999 1.00 43.44 C ATOM 171 CG GLU A 12 33.014 -16.077 0.519 1.00 74.35 C ATOM 172 CD GLU A 12 34.063 -16.299 1.590 1.00 21.32 C ATOM 173 OE1 GLU A 12 33.869 -17.199 2.434 1.00 65.43 O ATOM 174 OE2 GLU A 12 35.079 -15.572 1.585 1.00 73.32 O ATOM 0 H GLU A 12 29.890 -14.691 -1.472 1.00 52.10 H new ATOM 0 HA GLU A 12 30.652 -16.419 -0.302 1.00 33.01 H new ATOM 0 HB2 GLU A 12 32.102 -14.164 0.808 1.00 43.44 H new ATOM 0 HB3 GLU A 12 31.760 -15.322 2.078 1.00 43.44 H new ATOM 0 HG2 GLU A 12 32.626 -17.041 0.191 1.00 74.35 H new ATOM 0 HG3 GLU A 12 33.479 -15.609 -0.348 1.00 74.35 H new ATOM 181 N ALA A 13 28.239 -15.476 1.143 1.00 74.34 N ATOM 182 CA ALA A 13 27.149 -15.725 2.078 1.00 21.05 C ATOM 183 C ALA A 13 26.652 -17.163 1.973 1.00 41.22 C ATOM 184 O ALA A 13 25.901 -17.506 1.059 1.00 1.34 O ATOM 185 CB ALA A 13 26.007 -14.750 1.831 1.00 65.35 C ATOM 0 H ALA A 13 27.962 -14.985 0.293 1.00 74.34 H new ATOM 0 HA ALA A 13 27.529 -15.573 3.088 1.00 21.05 H new ATOM 0 HB1 ALA A 13 25.200 -14.948 2.537 1.00 65.35 H new ATOM 0 HB2 ALA A 13 26.365 -13.729 1.966 1.00 65.35 H new ATOM 0 HB3 ALA A 13 25.637 -14.873 0.813 1.00 65.35 H new ATOM 191 N LYS A 14 27.076 -18.001 2.912 1.00 22.04 N ATOM 192 CA LYS A 14 26.674 -19.403 2.926 1.00 3.51 C ATOM 193 C LYS A 14 25.167 -19.534 3.116 1.00 34.30 C ATOM 194 O LYS A 14 24.491 -18.574 3.489 1.00 64.24 O ATOM 195 CB LYS A 14 27.407 -20.154 4.040 1.00 11.31 C ATOM 196 CG LYS A 14 27.295 -19.485 5.400 1.00 65.45 C ATOM 197 CD LYS A 14 27.899 -20.347 6.496 1.00 71.32 C ATOM 198 CE LYS A 14 27.058 -21.587 6.756 1.00 35.35 C ATOM 199 NZ LYS A 14 27.865 -22.835 6.664 1.00 21.12 N ATOM 0 H LYS A 14 27.699 -17.734 3.674 1.00 22.04 H new ATOM 0 HA LYS A 14 26.941 -19.842 1.965 1.00 3.51 H new ATOM 0 HB2 LYS A 14 27.008 -21.166 4.108 1.00 11.31 H new ATOM 0 HB3 LYS A 14 28.460 -20.244 3.774 1.00 11.31 H new ATOM 0 HG2 LYS A 14 27.801 -18.520 5.375 1.00 65.45 H new ATOM 0 HG3 LYS A 14 26.247 -19.290 5.625 1.00 65.45 H new ATOM 0 HD2 LYS A 14 28.909 -20.644 6.212 1.00 71.32 H new ATOM 0 HD3 LYS A 14 27.984 -19.765 7.413 1.00 71.32 H new ATOM 0 HE2 LYS A 14 26.607 -21.519 7.746 1.00 35.35 H new ATOM 0 HE3 LYS A 14 26.241 -21.629 6.036 1.00 35.35 H new ATOM 0 HZ1 LYS A 14 27.255 -23.657 6.848 1.00 21.12 H new ATOM 0 HZ2 LYS A 14 28.275 -22.914 5.711 1.00 21.12 H new ATOM 0 HZ3 LYS A 14 28.629 -22.807 7.369 1.00 21.12 H new ATOM 213 N HIS A 15 24.644 -20.729 2.859 1.00 64.51 N ATOM 214 CA HIS A 15 23.216 -20.987 3.004 1.00 41.01 C ATOM 215 C HIS A 15 22.752 -20.690 4.427 1.00 63.42 C ATOM 216 O HIS A 15 23.197 -21.327 5.381 1.00 61.33 O ATOM 217 CB HIS A 15 22.899 -22.439 2.644 1.00 50.32 C ATOM 218 CG HIS A 15 22.907 -22.706 1.170 1.00 10.30 C ATOM 219 ND1 HIS A 15 22.652 -23.948 0.629 1.00 62.11 N ATOM 220 CD2 HIS A 15 23.139 -21.881 0.122 1.00 23.02 C ATOM 221 CE1 HIS A 15 22.729 -23.877 -0.688 1.00 3.41 C ATOM 222 NE2 HIS A 15 23.023 -22.633 -1.021 1.00 42.32 N ATOM 0 H HIS A 15 25.188 -21.534 2.549 1.00 64.51 H new ATOM 0 HA HIS A 15 22.682 -20.327 2.321 1.00 41.01 H new ATOM 0 HB2 HIS A 15 23.626 -23.092 3.127 1.00 50.32 H new ATOM 0 HB3 HIS A 15 21.920 -22.699 3.047 1.00 50.32 H new ATOM 0 HD2 HIS A 15 23.372 -20.828 0.175 1.00 23.02 H new ATOM 0 HE1 HIS A 15 22.577 -24.696 -1.375 1.00 3.41 H new ATOM 0 HE2 HIS A 15 23.144 -22.287 -1.973 1.00 42.32 H new ATOM 230 N GLY A 16 21.855 -19.718 4.561 1.00 24.04 N ATOM 231 CA GLY A 16 21.347 -19.354 5.871 1.00 2.30 C ATOM 232 C GLY A 16 21.910 -18.036 6.365 1.00 1.04 C ATOM 233 O GLY A 16 21.704 -17.657 7.519 1.00 61.10 O ATOM 0 H GLY A 16 21.471 -19.176 3.787 1.00 24.04 H new ATOM 0 HA2 GLY A 16 20.260 -19.289 5.830 1.00 2.30 H new ATOM 0 HA3 GLY A 16 21.593 -20.141 6.584 1.00 2.30 H new ATOM 237 N THR A 17 22.625 -17.334 5.491 1.00 22.43 N ATOM 238 CA THR A 17 23.222 -16.053 5.846 1.00 62.03 C ATOM 239 C THR A 17 22.184 -14.937 5.820 1.00 21.14 C ATOM 240 O THR A 17 21.285 -14.931 4.979 1.00 0.22 O ATOM 241 CB THR A 17 24.375 -15.688 4.892 1.00 4.42 C ATOM 242 OG1 THR A 17 25.417 -16.666 4.985 1.00 33.22 O ATOM 243 CG2 THR A 17 24.935 -14.312 5.222 1.00 54.25 C ATOM 0 H THR A 17 22.804 -17.632 4.532 1.00 22.43 H new ATOM 0 HA THR A 17 23.615 -16.156 6.857 1.00 62.03 H new ATOM 0 HB THR A 17 23.983 -15.670 3.875 1.00 4.42 H new ATOM 0 HG1 THR A 17 25.136 -17.488 4.531 1.00 33.22 H new ATOM 0 HG21 THR A 17 25.748 -14.076 4.535 1.00 54.25 H new ATOM 0 HG22 THR A 17 24.147 -13.565 5.122 1.00 54.25 H new ATOM 0 HG23 THR A 17 25.311 -14.308 6.245 1.00 54.25 H new ATOM 251 N PHE A 18 22.314 -13.993 6.747 1.00 70.32 N ATOM 252 CA PHE A 18 21.386 -12.871 6.831 1.00 61.44 C ATOM 253 C PHE A 18 21.411 -12.048 5.546 1.00 31.02 C ATOM 254 O PHE A 18 22.466 -11.847 4.944 1.00 31.23 O ATOM 255 CB PHE A 18 21.734 -11.982 8.026 1.00 22.44 C ATOM 256 CG PHE A 18 21.094 -10.625 7.970 1.00 2.24 C ATOM 257 CD1 PHE A 18 19.715 -10.496 7.921 1.00 44.13 C ATOM 258 CD2 PHE A 18 21.871 -9.478 7.968 1.00 0.41 C ATOM 259 CE1 PHE A 18 19.124 -9.248 7.868 1.00 1.24 C ATOM 260 CE2 PHE A 18 21.285 -8.227 7.916 1.00 3.34 C ATOM 261 CZ PHE A 18 19.910 -8.112 7.867 1.00 11.25 C ATOM 0 H PHE A 18 23.053 -13.983 7.450 1.00 70.32 H new ATOM 0 HA PHE A 18 20.381 -13.272 6.966 1.00 61.44 H new ATOM 0 HB2 PHE A 18 21.425 -12.483 8.943 1.00 22.44 H new ATOM 0 HB3 PHE A 18 22.816 -11.863 8.077 1.00 22.44 H new ATOM 0 HD1 PHE A 18 19.095 -11.381 7.924 1.00 44.13 H new ATOM 0 HD2 PHE A 18 22.947 -9.562 8.008 1.00 0.41 H new ATOM 0 HE1 PHE A 18 18.048 -9.161 7.827 1.00 1.24 H new ATOM 0 HE2 PHE A 18 21.902 -7.341 7.914 1.00 3.34 H new ATOM 0 HZ PHE A 18 19.450 -7.136 7.828 1.00 11.25 H new ATOM 271 N VAL A 19 20.240 -11.574 5.131 1.00 23.05 N ATOM 272 CA VAL A 19 20.126 -10.772 3.919 1.00 23.02 C ATOM 273 C VAL A 19 19.335 -9.495 4.177 1.00 35.14 C ATOM 274 O VAL A 19 19.770 -8.400 3.824 1.00 20.03 O ATOM 275 CB VAL A 19 19.448 -11.563 2.785 1.00 43.13 C ATOM 276 CG1 VAL A 19 19.444 -10.753 1.497 1.00 12.33 C ATOM 277 CG2 VAL A 19 20.142 -12.901 2.580 1.00 44.02 C ATOM 0 H VAL A 19 19.357 -11.732 5.617 1.00 23.05 H new ATOM 0 HA VAL A 19 21.140 -10.512 3.615 1.00 23.02 H new ATOM 0 HB VAL A 19 18.413 -11.756 3.068 1.00 43.13 H new ATOM 0 HG11 VAL A 19 18.961 -11.328 0.707 1.00 12.33 H new ATOM 0 HG12 VAL A 19 18.898 -9.823 1.654 1.00 12.33 H new ATOM 0 HG13 VAL A 19 20.470 -10.527 1.206 1.00 12.33 H new ATOM 0 HG21 VAL A 19 19.650 -13.447 1.775 1.00 44.02 H new ATOM 0 HG22 VAL A 19 21.187 -12.733 2.318 1.00 44.02 H new ATOM 0 HG23 VAL A 19 20.088 -13.484 3.500 1.00 44.02 H new ATOM 287 N GLY A 20 18.167 -9.644 4.797 1.00 45.20 N ATOM 288 CA GLY A 20 17.333 -8.494 5.093 1.00 72.13 C ATOM 289 C GLY A 20 15.890 -8.877 5.357 1.00 63.41 C ATOM 290 O GLY A 20 15.293 -9.636 4.593 1.00 14.40 O ATOM 0 H GLY A 20 17.785 -10.540 5.099 1.00 45.20 H new ATOM 0 HA2 GLY A 20 17.733 -7.974 5.963 1.00 72.13 H new ATOM 0 HA3 GLY A 20 17.373 -7.795 4.257 1.00 72.13 H new ATOM 294 N ARG A 21 15.330 -8.354 6.442 1.00 32.04 N ATOM 295 CA ARG A 21 13.949 -8.648 6.807 1.00 62.31 C ATOM 296 C ARG A 21 13.017 -8.443 5.616 1.00 21.42 C ATOM 297 O ARG A 21 12.659 -7.313 5.283 1.00 32.44 O ATOM 298 CB ARG A 21 13.507 -7.762 7.973 1.00 41.13 C ATOM 299 CG ARG A 21 13.796 -6.285 7.759 1.00 61.14 C ATOM 300 CD ARG A 21 13.773 -5.517 9.071 1.00 63.11 C ATOM 301 NE ARG A 21 14.992 -4.738 9.270 1.00 3.23 N ATOM 302 CZ ARG A 21 15.395 -4.294 10.456 1.00 40.13 C ATOM 303 NH1 ARG A 21 14.680 -4.551 11.542 1.00 75.42 N ATOM 304 NH2 ARG A 21 16.516 -3.591 10.556 1.00 20.15 N ATOM 0 H ARG A 21 15.811 -7.724 7.084 1.00 32.04 H new ATOM 0 HA ARG A 21 13.895 -9.693 7.113 1.00 62.31 H new ATOM 0 HB2 ARG A 21 12.437 -7.895 8.134 1.00 41.13 H new ATOM 0 HB3 ARG A 21 14.010 -8.094 8.881 1.00 41.13 H new ATOM 0 HG2 ARG A 21 14.771 -6.169 7.285 1.00 61.14 H new ATOM 0 HG3 ARG A 21 13.058 -5.864 7.077 1.00 61.14 H new ATOM 0 HD2 ARG A 21 12.910 -4.851 9.086 1.00 63.11 H new ATOM 0 HD3 ARG A 21 13.650 -6.216 9.898 1.00 63.11 H new ATOM 0 HE ARG A 21 15.565 -4.523 8.454 1.00 3.23 H new ATOM 0 HH11 ARG A 21 13.818 -5.091 11.469 1.00 75.42 H new ATOM 0 HH12 ARG A 21 14.992 -4.209 12.451 1.00 75.42 H new ATOM 0 HH21 ARG A 21 17.069 -3.391 9.722 1.00 20.15 H new ATOM 0 HH22 ARG A 21 16.825 -3.250 11.466 1.00 20.15 H new ATOM 318 N ILE A 22 12.629 -9.543 4.979 1.00 23.01 N ATOM 319 CA ILE A 22 11.739 -9.484 3.827 1.00 50.34 C ATOM 320 C ILE A 22 10.313 -9.151 4.250 1.00 15.34 C ATOM 321 O ILE A 22 9.626 -8.369 3.594 1.00 13.40 O ATOM 322 CB ILE A 22 11.734 -10.813 3.050 1.00 65.44 C ATOM 323 CG1 ILE A 22 10.651 -10.794 1.969 1.00 31.55 C ATOM 324 CG2 ILE A 22 11.522 -11.982 4.000 1.00 12.25 C ATOM 325 CD1 ILE A 22 10.678 -12.007 1.066 1.00 75.05 C ATOM 0 H ILE A 22 12.917 -10.485 5.242 1.00 23.01 H new ATOM 0 HA ILE A 22 12.117 -8.694 3.178 1.00 50.34 H new ATOM 0 HB ILE A 22 12.702 -10.936 2.565 1.00 65.44 H new ATOM 0 HG12 ILE A 22 9.673 -10.728 2.447 1.00 31.55 H new ATOM 0 HG13 ILE A 22 10.770 -9.896 1.362 1.00 31.55 H new ATOM 0 HG21 ILE A 22 11.521 -12.914 3.435 1.00 12.25 H new ATOM 0 HG22 ILE A 22 12.327 -12.004 4.735 1.00 12.25 H new ATOM 0 HG23 ILE A 22 10.566 -11.867 4.511 1.00 12.25 H new ATOM 0 HD11 ILE A 22 9.883 -11.926 0.324 1.00 75.05 H new ATOM 0 HD12 ILE A 22 11.642 -12.063 0.560 1.00 75.05 H new ATOM 0 HD13 ILE A 22 10.528 -12.907 1.662 1.00 75.05 H new ATOM 337 N ALA A 23 9.874 -9.749 5.353 1.00 11.33 N ATOM 338 CA ALA A 23 8.531 -9.513 5.868 1.00 54.34 C ATOM 339 C ALA A 23 8.403 -8.107 6.444 1.00 13.14 C ATOM 340 O ALA A 23 7.489 -7.362 6.090 1.00 64.21 O ATOM 341 CB ALA A 23 8.179 -10.552 6.922 1.00 41.11 C ATOM 0 H ALA A 23 10.429 -10.401 5.907 1.00 11.33 H new ATOM 0 HA ALA A 23 7.830 -9.602 5.038 1.00 54.34 H new ATOM 0 HB1 ALA A 23 7.173 -10.363 7.298 1.00 41.11 H new ATOM 0 HB2 ALA A 23 8.220 -11.547 6.480 1.00 41.11 H new ATOM 0 HB3 ALA A 23 8.891 -10.491 7.745 1.00 41.11 H new ATOM 347 N GLN A 24 9.323 -7.752 7.335 1.00 43.42 N ATOM 348 CA GLN A 24 9.311 -6.435 7.961 1.00 4.02 C ATOM 349 C GLN A 24 9.286 -5.332 6.909 1.00 42.53 C ATOM 350 O GLN A 24 8.449 -4.431 6.960 1.00 54.34 O ATOM 351 CB GLN A 24 10.534 -6.266 8.865 1.00 14.13 C ATOM 352 CG GLN A 24 10.257 -5.446 10.115 1.00 43.41 C ATOM 353 CD GLN A 24 9.821 -4.029 9.798 1.00 2.42 C ATOM 354 OE1 GLN A 24 10.565 -3.259 9.189 1.00 70.42 O ATOM 355 NE2 GLN A 24 8.610 -3.676 10.211 1.00 14.43 N ATOM 0 H GLN A 24 10.085 -8.357 7.639 1.00 43.42 H new ATOM 0 HA GLN A 24 8.407 -6.356 8.565 1.00 4.02 H new ATOM 0 HB2 GLN A 24 10.897 -7.251 9.159 1.00 14.13 H new ATOM 0 HB3 GLN A 24 11.332 -5.789 8.297 1.00 14.13 H new ATOM 0 HG2 GLN A 24 9.482 -5.938 10.703 1.00 43.41 H new ATOM 0 HG3 GLN A 24 11.155 -5.416 10.732 1.00 43.41 H new ATOM 0 HE21 GLN A 24 8.027 -4.346 10.712 1.00 14.43 H new ATOM 0 HE22 GLN A 24 8.263 -2.735 10.027 1.00 14.43 H new ATOM 364 N ASP A 25 10.209 -5.408 5.956 1.00 21.23 N ATOM 365 CA ASP A 25 10.292 -4.416 4.891 1.00 65.23 C ATOM 366 C ASP A 25 9.016 -4.407 4.055 1.00 21.44 C ATOM 367 O ASP A 25 8.742 -3.449 3.331 1.00 33.34 O ATOM 368 CB ASP A 25 11.500 -4.698 3.996 1.00 45.11 C ATOM 369 CG ASP A 25 12.815 -4.385 4.683 1.00 63.40 C ATOM 370 OD1 ASP A 25 12.805 -3.606 5.659 1.00 34.21 O ATOM 371 OD2 ASP A 25 13.855 -4.921 4.245 1.00 11.31 O ATOM 0 H ASP A 25 10.910 -6.147 5.900 1.00 21.23 H new ATOM 0 HA ASP A 25 10.410 -3.435 5.351 1.00 65.23 H new ATOM 0 HB2 ASP A 25 11.490 -5.746 3.697 1.00 45.11 H new ATOM 0 HB3 ASP A 25 11.419 -4.106 3.085 1.00 45.11 H new ATOM 376 N LEU A 26 8.240 -5.480 4.160 1.00 73.24 N ATOM 377 CA LEU A 26 6.992 -5.597 3.413 1.00 72.10 C ATOM 378 C LEU A 26 5.825 -5.022 4.209 1.00 32.34 C ATOM 379 O LEU A 26 4.918 -4.409 3.647 1.00 24.32 O ATOM 380 CB LEU A 26 6.716 -7.062 3.068 1.00 44.42 C ATOM 381 CG LEU A 26 7.064 -7.492 1.642 1.00 21.13 C ATOM 382 CD1 LEU A 26 8.491 -7.094 1.298 1.00 52.05 C ATOM 383 CD2 LEU A 26 6.872 -8.993 1.477 1.00 43.45 C ATOM 0 H LEU A 26 8.452 -6.281 4.755 1.00 73.24 H new ATOM 0 HA LEU A 26 7.095 -5.026 2.490 1.00 72.10 H new ATOM 0 HB2 LEU A 26 7.275 -7.690 3.762 1.00 44.42 H new ATOM 0 HB3 LEU A 26 5.658 -7.262 3.239 1.00 44.42 H new ATOM 0 HG LEU A 26 6.391 -6.981 0.954 1.00 21.13 H new ATOM 0 HD11 LEU A 26 8.721 -7.408 0.280 1.00 52.05 H new ATOM 0 HD12 LEU A 26 8.596 -6.012 1.376 1.00 52.05 H new ATOM 0 HD13 LEU A 26 9.180 -7.577 1.991 1.00 52.05 H new ATOM 0 HD21 LEU A 26 7.124 -9.282 0.457 1.00 43.45 H new ATOM 0 HD22 LEU A 26 7.521 -9.522 2.175 1.00 43.45 H new ATOM 0 HD23 LEU A 26 5.833 -9.252 1.681 1.00 43.45 H new ATOM 395 N GLY A 27 5.856 -5.223 5.523 1.00 35.45 N ATOM 396 CA GLY A 27 4.796 -4.717 6.376 1.00 21.03 C ATOM 397 C GLY A 27 3.679 -5.723 6.572 1.00 10.32 C ATOM 398 O GLY A 27 2.502 -5.359 6.592 1.00 3.13 O ATOM 0 H GLY A 27 6.596 -5.727 6.012 1.00 35.45 H new ATOM 0 HA2 GLY A 27 5.212 -4.448 7.347 1.00 21.03 H new ATOM 0 HA3 GLY A 27 4.387 -3.805 5.940 1.00 21.03 H new ATOM 402 N LEU A 28 4.046 -6.991 6.715 1.00 32.44 N ATOM 403 CA LEU A 28 3.065 -8.054 6.909 1.00 23.10 C ATOM 404 C LEU A 28 3.293 -8.770 8.237 1.00 53.52 C ATOM 405 O LEU A 28 4.182 -8.404 9.004 1.00 24.55 O ATOM 406 CB LEU A 28 3.138 -9.058 5.757 1.00 54.21 C ATOM 407 CG LEU A 28 3.827 -8.568 4.483 1.00 74.34 C ATOM 408 CD1 LEU A 28 3.995 -9.712 3.494 1.00 51.40 C ATOM 409 CD2 LEU A 28 3.038 -7.429 3.854 1.00 52.11 C ATOM 0 H LEU A 28 5.015 -7.309 6.700 1.00 32.44 H new ATOM 0 HA LEU A 28 2.074 -7.601 6.927 1.00 23.10 H new ATOM 0 HB2 LEU A 28 3.660 -9.948 6.109 1.00 54.21 H new ATOM 0 HB3 LEU A 28 2.123 -9.364 5.503 1.00 54.21 H new ATOM 0 HG LEU A 28 4.816 -8.195 4.748 1.00 74.34 H new ATOM 0 HD11 LEU A 28 4.487 -9.345 2.593 1.00 51.40 H new ATOM 0 HD12 LEU A 28 4.602 -10.497 3.945 1.00 51.40 H new ATOM 0 HD13 LEU A 28 3.016 -10.115 3.234 1.00 51.40 H new ATOM 0 HD21 LEU A 28 3.543 -7.093 2.948 1.00 52.11 H new ATOM 0 HD22 LEU A 28 2.036 -7.776 3.603 1.00 52.11 H new ATOM 0 HD23 LEU A 28 2.969 -6.601 4.560 1.00 52.11 H new ATOM 421 N GLU A 29 2.484 -9.791 8.499 1.00 75.21 N ATOM 422 CA GLU A 29 2.598 -10.558 9.734 1.00 63.43 C ATOM 423 C GLU A 29 3.154 -11.953 9.458 1.00 13.33 C ATOM 424 O GLU A 29 2.706 -12.641 8.540 1.00 24.52 O ATOM 425 CB GLU A 29 1.236 -10.667 10.421 1.00 13.23 C ATOM 426 CG GLU A 29 1.074 -9.727 11.604 1.00 2.21 C ATOM 427 CD GLU A 29 0.434 -8.408 11.218 1.00 41.43 C ATOM 428 OE1 GLU A 29 1.176 -7.469 10.861 1.00 64.20 O ATOM 429 OE2 GLU A 29 -0.810 -8.314 11.272 1.00 32.40 O ATOM 0 H GLU A 29 1.743 -10.106 7.873 1.00 75.21 H new ATOM 0 HA GLU A 29 3.289 -10.034 10.395 1.00 63.43 H new ATOM 0 HB2 GLU A 29 0.453 -10.458 9.692 1.00 13.23 H new ATOM 0 HB3 GLU A 29 1.091 -11.693 10.760 1.00 13.23 H new ATOM 0 HG2 GLU A 29 0.466 -10.212 12.368 1.00 2.21 H new ATOM 0 HG3 GLU A 29 2.051 -9.536 12.048 1.00 2.21 H new ATOM 436 N LEU A 30 4.131 -12.362 10.259 1.00 22.31 N ATOM 437 CA LEU A 30 4.749 -13.674 10.103 1.00 64.45 C ATOM 438 C LEU A 30 3.714 -14.785 10.250 1.00 24.14 C ATOM 439 O LEU A 30 3.885 -15.883 9.719 1.00 53.13 O ATOM 440 CB LEU A 30 5.865 -13.861 11.133 1.00 53.33 C ATOM 441 CG LEU A 30 7.294 -13.720 10.607 1.00 31.53 C ATOM 442 CD1 LEU A 30 7.672 -14.926 9.761 1.00 24.34 C ATOM 443 CD2 LEU A 30 7.444 -12.436 9.805 1.00 14.13 C ATOM 0 H LEU A 30 4.512 -11.804 11.023 1.00 22.31 H new ATOM 0 HA LEU A 30 5.175 -13.730 9.101 1.00 64.45 H new ATOM 0 HB2 LEU A 30 5.720 -13.134 11.932 1.00 53.33 H new ATOM 0 HB3 LEU A 30 5.759 -14.850 11.578 1.00 53.33 H new ATOM 0 HG LEU A 30 7.971 -13.673 11.460 1.00 31.53 H new ATOM 0 HD11 LEU A 30 8.692 -14.808 9.395 1.00 24.34 H new ATOM 0 HD12 LEU A 30 7.605 -15.830 10.366 1.00 24.34 H new ATOM 0 HD13 LEU A 30 6.990 -15.005 8.915 1.00 24.34 H new ATOM 0 HD21 LEU A 30 8.467 -12.353 9.439 1.00 14.13 H new ATOM 0 HD22 LEU A 30 6.756 -12.453 8.959 1.00 14.13 H new ATOM 0 HD23 LEU A 30 7.216 -11.581 10.441 1.00 14.13 H new ATOM 455 N THR A 31 2.639 -14.492 10.975 1.00 73.22 N ATOM 456 CA THR A 31 1.575 -15.465 11.192 1.00 44.11 C ATOM 457 C THR A 31 0.442 -15.273 10.190 1.00 23.43 C ATOM 458 O THR A 31 -0.578 -15.958 10.256 1.00 11.02 O ATOM 459 CB THR A 31 1.006 -15.365 12.620 1.00 73.25 C ATOM 460 OG1 THR A 31 1.694 -14.346 13.352 1.00 45.52 O ATOM 461 CG2 THR A 31 1.135 -16.695 13.348 1.00 52.43 C ATOM 0 H THR A 31 2.482 -13.589 11.422 1.00 73.22 H new ATOM 0 HA THR A 31 2.015 -16.452 11.053 1.00 44.11 H new ATOM 0 HB THR A 31 -0.051 -15.109 12.549 1.00 73.25 H new ATOM 0 HG1 THR A 31 1.325 -14.288 14.258 1.00 45.52 H new ATOM 0 HG21 THR A 31 0.727 -16.600 14.354 1.00 52.43 H new ATOM 0 HG22 THR A 31 0.585 -17.463 12.804 1.00 52.43 H new ATOM 0 HG23 THR A 31 2.186 -16.976 13.408 1.00 52.43 H new ATOM 469 N GLU A 32 0.629 -14.339 9.263 1.00 3.04 N ATOM 470 CA GLU A 32 -0.379 -14.058 8.248 1.00 21.50 C ATOM 471 C GLU A 32 0.095 -14.513 6.871 1.00 41.25 C ATOM 472 O GLU A 32 -0.632 -14.399 5.882 1.00 5.25 O ATOM 473 CB GLU A 32 -0.705 -12.564 8.220 1.00 5.31 C ATOM 474 CG GLU A 32 -1.799 -12.161 9.194 1.00 1.21 C ATOM 475 CD GLU A 32 -1.659 -12.840 10.543 1.00 45.23 C ATOM 476 OE1 GLU A 32 -2.184 -13.962 10.698 1.00 24.25 O ATOM 477 OE2 GLU A 32 -1.024 -12.249 11.442 1.00 75.32 O ATOM 0 H GLU A 32 1.469 -13.764 9.194 1.00 3.04 H new ATOM 0 HA GLU A 32 -1.281 -14.613 8.505 1.00 21.50 H new ATOM 0 HB2 GLU A 32 0.199 -11.999 8.448 1.00 5.31 H new ATOM 0 HB3 GLU A 32 -1.008 -12.286 7.211 1.00 5.31 H new ATOM 0 HG2 GLU A 32 -1.777 -11.080 9.332 1.00 1.21 H new ATOM 0 HG3 GLU A 32 -2.770 -12.408 8.766 1.00 1.21 H new ATOM 484 N LEU A 33 1.318 -15.027 6.813 1.00 64.54 N ATOM 485 CA LEU A 33 1.891 -15.499 5.557 1.00 44.04 C ATOM 486 C LEU A 33 1.138 -16.720 5.038 1.00 14.44 C ATOM 487 O LEU A 33 0.848 -16.824 3.846 1.00 4.13 O ATOM 488 CB LEU A 33 3.371 -15.841 5.744 1.00 15.35 C ATOM 489 CG LEU A 33 4.286 -14.675 6.120 1.00 63.04 C ATOM 490 CD1 LEU A 33 5.447 -15.162 6.973 1.00 45.43 C ATOM 491 CD2 LEU A 33 4.798 -13.975 4.869 1.00 14.30 C ATOM 0 H LEU A 33 1.932 -15.128 7.621 1.00 64.54 H new ATOM 0 HA LEU A 33 1.799 -14.699 4.823 1.00 44.04 H new ATOM 0 HB2 LEU A 33 3.452 -16.605 6.518 1.00 15.35 H new ATOM 0 HB3 LEU A 33 3.741 -16.284 4.819 1.00 15.35 H new ATOM 0 HG LEU A 33 3.709 -13.958 6.704 1.00 63.04 H new ATOM 0 HD11 LEU A 33 6.088 -14.319 7.231 1.00 45.43 H new ATOM 0 HD12 LEU A 33 5.062 -15.618 7.885 1.00 45.43 H new ATOM 0 HD13 LEU A 33 6.025 -15.899 6.415 1.00 45.43 H new ATOM 0 HD21 LEU A 33 5.448 -13.148 5.155 1.00 14.30 H new ATOM 0 HD22 LEU A 33 5.359 -14.683 4.260 1.00 14.30 H new ATOM 0 HD23 LEU A 33 3.954 -13.592 4.295 1.00 14.30 H new ATOM 503 N VAL A 34 0.820 -17.641 5.943 1.00 41.42 N ATOM 504 CA VAL A 34 0.097 -18.853 5.578 1.00 15.31 C ATOM 505 C VAL A 34 -1.205 -18.520 4.858 1.00 15.12 C ATOM 506 O VAL A 34 -1.453 -18.960 3.735 1.00 20.03 O ATOM 507 CB VAL A 34 -0.220 -19.712 6.817 1.00 43.22 C ATOM 508 CG1 VAL A 34 -1.510 -20.491 6.611 1.00 0.45 C ATOM 509 CG2 VAL A 34 0.937 -20.651 7.122 1.00 20.43 C ATOM 0 H VAL A 34 1.052 -17.570 6.934 1.00 41.42 H new ATOM 0 HA VAL A 34 0.745 -19.419 4.909 1.00 15.31 H new ATOM 0 HB VAL A 34 -0.357 -19.050 7.672 1.00 43.22 H new ATOM 0 HG11 VAL A 34 -1.718 -21.092 7.496 1.00 0.45 H new ATOM 0 HG12 VAL A 34 -2.332 -19.795 6.444 1.00 0.45 H new ATOM 0 HG13 VAL A 34 -1.406 -21.145 5.745 1.00 0.45 H new ATOM 0 HG21 VAL A 34 0.697 -21.251 8.000 1.00 20.43 H new ATOM 0 HG22 VAL A 34 1.107 -21.308 6.269 1.00 20.43 H new ATOM 0 HG23 VAL A 34 1.837 -20.068 7.316 1.00 20.43 H new ATOM 519 N PRO A 35 -2.059 -17.723 5.518 1.00 74.21 N ATOM 520 CA PRO A 35 -3.351 -17.312 4.959 1.00 21.23 C ATOM 521 C PRO A 35 -3.196 -16.344 3.792 1.00 43.41 C ATOM 522 O PRO A 35 -4.140 -16.109 3.038 1.00 72.32 O ATOM 523 CB PRO A 35 -4.044 -16.623 6.138 1.00 62.15 C ATOM 524 CG PRO A 35 -2.931 -16.148 7.007 1.00 63.45 C ATOM 525 CD PRO A 35 -1.830 -17.162 6.860 1.00 44.23 C ATOM 0 HA PRO A 35 -3.908 -18.157 4.554 1.00 21.23 H new ATOM 0 HB2 PRO A 35 -4.666 -15.793 5.802 1.00 62.15 H new ATOM 0 HB3 PRO A 35 -4.696 -17.314 6.672 1.00 62.15 H new ATOM 0 HG2 PRO A 35 -2.593 -15.158 6.702 1.00 63.45 H new ATOM 0 HG3 PRO A 35 -3.253 -16.069 8.045 1.00 63.45 H new ATOM 0 HD2 PRO A 35 -0.846 -16.701 6.940 1.00 44.23 H new ATOM 0 HD3 PRO A 35 -1.886 -17.930 7.631 1.00 44.23 H new ATOM 533 N ARG A 36 -1.999 -15.784 3.648 1.00 1.15 N ATOM 534 CA ARG A 36 -1.721 -14.840 2.573 1.00 41.12 C ATOM 535 C ARG A 36 -1.044 -15.539 1.397 1.00 1.25 C ATOM 536 O ARG A 36 -0.674 -14.901 0.411 1.00 4.52 O ATOM 537 CB ARG A 36 -0.835 -13.701 3.081 1.00 14.24 C ATOM 538 CG ARG A 36 -1.607 -12.598 3.788 1.00 31.52 C ATOM 539 CD ARG A 36 -0.769 -11.338 3.935 1.00 12.02 C ATOM 540 NE ARG A 36 0.193 -11.445 5.029 1.00 53.31 N ATOM 541 CZ ARG A 36 1.429 -11.906 4.878 1.00 61.13 C ATOM 542 NH1 ARG A 36 1.852 -12.301 3.685 1.00 74.14 N ATOM 543 NH2 ARG A 36 2.246 -11.973 5.921 1.00 10.33 N ATOM 0 H ARG A 36 -1.206 -15.968 4.263 1.00 1.15 H new ATOM 0 HA ARG A 36 -2.671 -14.428 2.231 1.00 41.12 H new ATOM 0 HB2 ARG A 36 -0.091 -14.108 3.765 1.00 14.24 H new ATOM 0 HB3 ARG A 36 -0.292 -13.271 2.239 1.00 14.24 H new ATOM 0 HG2 ARG A 36 -2.514 -12.370 3.227 1.00 31.52 H new ATOM 0 HG3 ARG A 36 -1.920 -12.945 4.773 1.00 31.52 H new ATOM 0 HD2 ARG A 36 -0.238 -11.145 3.003 1.00 12.02 H new ATOM 0 HD3 ARG A 36 -1.425 -10.485 4.111 1.00 12.02 H new ATOM 0 HE ARG A 36 -0.101 -11.149 5.960 1.00 53.31 H new ATOM 0 HH11 ARG A 36 1.227 -12.251 2.880 1.00 74.14 H new ATOM 0 HH12 ARG A 36 2.802 -12.655 3.572 1.00 74.14 H new ATOM 0 HH21 ARG A 36 1.925 -11.670 6.841 1.00 10.33 H new ATOM 0 HH22 ARG A 36 3.195 -12.327 5.803 1.00 10.33 H new ATOM 557 N LEU A 37 -0.885 -16.853 1.509 1.00 3.15 N ATOM 558 CA LEU A 37 -0.252 -17.639 0.456 1.00 23.44 C ATOM 559 C LEU A 37 1.059 -16.998 0.011 1.00 32.40 C ATOM 560 O LEU A 37 1.241 -16.686 -1.166 1.00 14.22 O ATOM 561 CB LEU A 37 -1.196 -17.781 -0.739 1.00 4.00 C ATOM 562 CG LEU A 37 -2.223 -18.910 -0.653 1.00 12.03 C ATOM 563 CD1 LEU A 37 -1.528 -20.262 -0.609 1.00 33.03 C ATOM 564 CD2 LEU A 37 -3.116 -18.727 0.566 1.00 4.02 C ATOM 0 H LEU A 37 -1.186 -17.396 2.318 1.00 3.15 H new ATOM 0 HA LEU A 37 -0.033 -18.629 0.857 1.00 23.44 H new ATOM 0 HB2 LEU A 37 -1.730 -16.840 -0.868 1.00 4.00 H new ATOM 0 HB3 LEU A 37 -0.595 -17.932 -1.636 1.00 4.00 H new ATOM 0 HG LEU A 37 -2.848 -18.875 -1.545 1.00 12.03 H new ATOM 0 HD11 LEU A 37 -2.275 -21.053 -0.548 1.00 33.03 H new ATOM 0 HD12 LEU A 37 -0.932 -20.394 -1.512 1.00 33.03 H new ATOM 0 HD13 LEU A 37 -0.878 -20.309 0.265 1.00 33.03 H new ATOM 0 HD21 LEU A 37 -3.841 -19.540 0.611 1.00 4.02 H new ATOM 0 HD22 LEU A 37 -2.505 -18.735 1.469 1.00 4.02 H new ATOM 0 HD23 LEU A 37 -3.642 -17.775 0.492 1.00 4.02 H new ATOM 576 N PHE A 38 1.970 -16.807 0.959 1.00 22.21 N ATOM 577 CA PHE A 38 3.265 -16.205 0.664 1.00 1.34 C ATOM 578 C PHE A 38 4.170 -17.191 -0.068 1.00 72.22 C ATOM 579 O PHE A 38 4.144 -18.392 0.202 1.00 74.15 O ATOM 580 CB PHE A 38 3.940 -15.738 1.956 1.00 62.51 C ATOM 581 CG PHE A 38 4.890 -14.593 1.756 1.00 43.53 C ATOM 582 CD1 PHE A 38 4.417 -13.295 1.640 1.00 64.44 C ATOM 583 CD2 PHE A 38 6.256 -14.813 1.683 1.00 4.41 C ATOM 584 CE1 PHE A 38 5.289 -12.238 1.456 1.00 60.54 C ATOM 585 CE2 PHE A 38 7.133 -13.760 1.500 1.00 53.23 C ATOM 586 CZ PHE A 38 6.648 -12.471 1.385 1.00 65.34 C ATOM 0 H PHE A 38 1.836 -17.060 1.938 1.00 22.21 H new ATOM 0 HA PHE A 38 3.098 -15.344 0.017 1.00 1.34 H new ATOM 0 HB2 PHE A 38 3.172 -15.442 2.671 1.00 62.51 H new ATOM 0 HB3 PHE A 38 4.481 -16.575 2.397 1.00 62.51 H new ATOM 0 HD1 PHE A 38 3.355 -13.107 1.694 1.00 64.44 H new ATOM 0 HD2 PHE A 38 6.640 -15.819 1.770 1.00 4.41 H new ATOM 0 HE1 PHE A 38 4.908 -11.231 1.368 1.00 60.54 H new ATOM 0 HE2 PHE A 38 8.196 -13.945 1.447 1.00 53.23 H new ATOM 0 HZ PHE A 38 7.331 -11.647 1.240 1.00 65.34 H new ATOM 596 N ARG A 39 4.969 -16.675 -0.997 1.00 34.15 N ATOM 597 CA ARG A 39 5.880 -17.510 -1.770 1.00 2.32 C ATOM 598 C ARG A 39 7.013 -16.675 -2.360 1.00 52.05 C ATOM 599 O ARG A 39 6.841 -15.490 -2.645 1.00 43.44 O ATOM 600 CB ARG A 39 5.124 -18.227 -2.889 1.00 55.14 C ATOM 601 CG ARG A 39 5.306 -19.736 -2.878 1.00 54.20 C ATOM 602 CD ARG A 39 4.698 -20.380 -4.114 1.00 54.43 C ATOM 603 NE ARG A 39 4.828 -21.834 -4.094 1.00 61.03 N ATOM 604 CZ ARG A 39 4.242 -22.637 -4.975 1.00 55.33 C ATOM 605 NH1 ARG A 39 3.489 -22.129 -5.941 1.00 54.22 N ATOM 606 NH2 ARG A 39 4.408 -23.950 -4.892 1.00 21.45 N ATOM 0 H ARG A 39 5.004 -15.683 -1.232 1.00 34.15 H new ATOM 0 HA ARG A 39 6.310 -18.253 -1.099 1.00 2.32 H new ATOM 0 HB2 ARG A 39 4.062 -17.997 -2.804 1.00 55.14 H new ATOM 0 HB3 ARG A 39 5.458 -17.836 -3.850 1.00 55.14 H new ATOM 0 HG2 ARG A 39 6.368 -19.975 -2.827 1.00 54.20 H new ATOM 0 HG3 ARG A 39 4.842 -20.153 -1.984 1.00 54.20 H new ATOM 0 HD2 ARG A 39 3.644 -20.111 -4.181 1.00 54.43 H new ATOM 0 HD3 ARG A 39 5.185 -19.985 -5.005 1.00 54.43 H new ATOM 0 HE ARG A 39 5.400 -22.257 -3.363 1.00 61.03 H new ATOM 0 HH11 ARG A 39 3.359 -21.120 -6.009 1.00 54.22 H new ATOM 0 HH12 ARG A 39 3.040 -22.748 -6.616 1.00 54.22 H new ATOM 0 HH21 ARG A 39 4.987 -24.345 -4.151 1.00 21.45 H new ATOM 0 HH22 ARG A 39 3.957 -24.565 -5.570 1.00 21.45 H new ATOM 620 N VAL A 40 8.171 -17.302 -2.541 1.00 51.14 N ATOM 621 CA VAL A 40 9.332 -16.618 -3.098 1.00 52.23 C ATOM 622 C VAL A 40 9.889 -17.371 -4.301 1.00 51.01 C ATOM 623 O VAL A 40 9.916 -18.601 -4.318 1.00 24.14 O ATOM 624 CB VAL A 40 10.446 -16.456 -2.047 1.00 13.11 C ATOM 625 CG1 VAL A 40 11.671 -15.799 -2.664 1.00 23.50 C ATOM 626 CG2 VAL A 40 9.942 -15.652 -0.857 1.00 63.34 C ATOM 0 H VAL A 40 8.330 -18.283 -2.310 1.00 51.14 H new ATOM 0 HA VAL A 40 8.995 -15.631 -3.415 1.00 52.23 H new ATOM 0 HB VAL A 40 10.734 -17.446 -1.693 1.00 13.11 H new ATOM 0 HG11 VAL A 40 12.447 -15.693 -1.906 1.00 23.50 H new ATOM 0 HG12 VAL A 40 12.043 -16.418 -3.481 1.00 23.50 H new ATOM 0 HG13 VAL A 40 11.402 -14.815 -3.048 1.00 23.50 H new ATOM 0 HG21 VAL A 40 10.742 -15.547 -0.124 1.00 63.34 H new ATOM 0 HG22 VAL A 40 9.626 -14.664 -1.193 1.00 63.34 H new ATOM 0 HG23 VAL A 40 9.097 -16.168 -0.401 1.00 63.34 H new ATOM 636 N ALA A 41 10.333 -16.624 -5.307 1.00 14.35 N ATOM 637 CA ALA A 41 10.892 -17.221 -6.513 1.00 53.41 C ATOM 638 C ALA A 41 11.547 -16.164 -7.396 1.00 10.45 C ATOM 639 O ALA A 41 11.675 -15.005 -7.001 1.00 51.52 O ATOM 640 CB ALA A 41 9.810 -17.960 -7.286 1.00 53.44 C ATOM 0 H ALA A 41 10.316 -15.604 -5.310 1.00 14.35 H new ATOM 0 HA ALA A 41 11.660 -17.934 -6.213 1.00 53.41 H new ATOM 0 HB1 ALA A 41 10.242 -18.401 -8.185 1.00 53.44 H new ATOM 0 HB2 ALA A 41 9.390 -18.748 -6.661 1.00 53.44 H new ATOM 0 HB3 ALA A 41 9.022 -17.261 -7.567 1.00 53.44 H new ATOM 646 N SER A 42 11.961 -16.571 -8.591 1.00 21.21 N ATOM 647 CA SER A 42 12.608 -15.660 -9.528 1.00 13.33 C ATOM 648 C SER A 42 12.520 -16.194 -10.954 1.00 21.30 C ATOM 649 O SER A 42 12.345 -17.393 -11.171 1.00 31.52 O ATOM 650 CB SER A 42 14.072 -15.449 -9.139 1.00 23.42 C ATOM 651 OG SER A 42 14.911 -15.464 -10.281 1.00 75.43 O ATOM 0 H SER A 42 11.860 -17.526 -8.934 1.00 21.21 H new ATOM 0 HA SER A 42 12.087 -14.704 -9.485 1.00 13.33 H new ATOM 0 HB2 SER A 42 14.179 -14.498 -8.618 1.00 23.42 H new ATOM 0 HB3 SER A 42 14.383 -16.230 -8.445 1.00 23.42 H new ATOM 0 HG SER A 42 15.379 -14.606 -10.355 1.00 75.43 H new ATOM 657 N LYS A 43 12.643 -15.295 -11.925 1.00 23.25 N ATOM 658 CA LYS A 43 12.580 -15.674 -13.331 1.00 53.42 C ATOM 659 C LYS A 43 13.929 -16.194 -13.816 1.00 71.41 C ATOM 660 O LYS A 43 14.000 -16.958 -14.779 1.00 45.33 O ATOM 661 CB LYS A 43 12.146 -14.478 -14.183 1.00 65.30 C ATOM 662 CG LYS A 43 10.642 -14.275 -14.225 1.00 52.10 C ATOM 663 CD LYS A 43 10.193 -13.706 -15.561 1.00 21.03 C ATOM 664 CE LYS A 43 8.750 -14.076 -15.868 1.00 22.43 C ATOM 665 NZ LYS A 43 8.029 -12.972 -16.559 1.00 42.11 N ATOM 0 H LYS A 43 12.787 -14.298 -11.763 1.00 23.25 H new ATOM 0 HA LYS A 43 11.845 -16.472 -13.434 1.00 53.42 H new ATOM 0 HB2 LYS A 43 12.615 -13.575 -13.792 1.00 65.30 H new ATOM 0 HB3 LYS A 43 12.514 -14.614 -15.200 1.00 65.30 H new ATOM 0 HG2 LYS A 43 10.140 -15.226 -14.047 1.00 52.10 H new ATOM 0 HG3 LYS A 43 10.342 -13.601 -13.422 1.00 52.10 H new ATOM 0 HD2 LYS A 43 10.297 -12.621 -15.549 1.00 21.03 H new ATOM 0 HD3 LYS A 43 10.842 -14.079 -16.353 1.00 21.03 H new ATOM 0 HE2 LYS A 43 8.729 -14.970 -16.492 1.00 22.43 H new ATOM 0 HE3 LYS A 43 8.233 -14.323 -14.941 1.00 22.43 H new ATOM 0 HZ1 LYS A 43 7.049 -13.264 -16.751 1.00 42.11 H new ATOM 0 HZ2 LYS A 43 8.026 -12.127 -15.953 1.00 42.11 H new ATOM 0 HZ3 LYS A 43 8.507 -12.754 -17.456 1.00 42.11 H new ATOM 679 N ASP A 44 14.995 -15.778 -13.142 1.00 63.31 N ATOM 680 CA ASP A 44 16.342 -16.205 -13.503 1.00 23.22 C ATOM 681 C ASP A 44 16.519 -17.702 -13.267 1.00 43.02 C ATOM 682 O ASP A 44 16.485 -18.497 -14.207 1.00 52.50 O ATOM 683 CB ASP A 44 17.381 -15.423 -12.697 1.00 60.23 C ATOM 684 CG ASP A 44 17.623 -14.036 -13.258 1.00 4.43 C ATOM 685 OD1 ASP A 44 18.143 -13.935 -14.389 1.00 55.33 O ATOM 686 OD2 ASP A 44 17.293 -13.050 -12.565 1.00 63.52 O ATOM 0 H ASP A 44 14.953 -15.146 -12.343 1.00 63.31 H new ATOM 0 HA ASP A 44 16.489 -16.003 -14.564 1.00 23.22 H new ATOM 0 HB2 ASP A 44 17.047 -15.340 -11.663 1.00 60.23 H new ATOM 0 HB3 ASP A 44 18.320 -15.976 -12.686 1.00 60.23 H new ATOM 691 N ARG A 45 16.710 -18.079 -12.007 1.00 71.12 N ATOM 692 CA ARG A 45 16.895 -19.480 -11.649 1.00 31.04 C ATOM 693 C ARG A 45 15.820 -19.936 -10.666 1.00 61.22 C ATOM 694 O ARG A 45 15.589 -21.132 -10.495 1.00 34.32 O ATOM 695 CB ARG A 45 18.282 -19.694 -11.039 1.00 53.24 C ATOM 696 CG ARG A 45 18.950 -20.985 -11.483 1.00 54.04 C ATOM 697 CD ARG A 45 20.154 -21.316 -10.617 1.00 3.35 C ATOM 698 NE ARG A 45 21.384 -20.729 -11.142 1.00 2.23 N ATOM 699 CZ ARG A 45 22.578 -20.906 -10.587 1.00 63.33 C ATOM 700 NH1 ARG A 45 22.703 -21.650 -9.497 1.00 73.41 N ATOM 701 NH2 ARG A 45 23.651 -20.339 -11.124 1.00 62.20 N ATOM 0 H ARG A 45 16.741 -17.434 -11.217 1.00 71.12 H new ATOM 0 HA ARG A 45 16.809 -20.076 -12.558 1.00 31.04 H new ATOM 0 HB2 ARG A 45 18.921 -18.853 -11.307 1.00 53.24 H new ATOM 0 HB3 ARG A 45 18.196 -19.695 -9.952 1.00 53.24 H new ATOM 0 HG2 ARG A 45 18.231 -21.803 -11.436 1.00 54.04 H new ATOM 0 HG3 ARG A 45 19.263 -20.895 -12.523 1.00 54.04 H new ATOM 0 HD2 ARG A 45 19.983 -20.952 -9.604 1.00 3.35 H new ATOM 0 HD3 ARG A 45 20.268 -22.398 -10.552 1.00 3.35 H new ATOM 0 HE ARG A 45 21.323 -20.152 -11.981 1.00 2.23 H new ATOM 0 HH11 ARG A 45 21.881 -22.089 -9.082 1.00 73.41 H new ATOM 0 HH12 ARG A 45 23.621 -21.784 -9.073 1.00 73.41 H new ATOM 0 HH21 ARG A 45 23.559 -19.767 -11.963 1.00 62.20 H new ATOM 0 HH22 ARG A 45 24.567 -20.475 -10.697 1.00 62.20 H new ATOM 715 N GLY A 46 15.167 -18.974 -10.023 1.00 14.54 N ATOM 716 CA GLY A 46 14.125 -19.296 -9.065 1.00 21.21 C ATOM 717 C GLY A 46 14.681 -19.855 -7.770 1.00 11.51 C ATOM 718 O GLY A 46 13.926 -20.267 -6.889 1.00 51.50 O ATOM 0 H GLY A 46 15.341 -17.977 -10.148 1.00 14.54 H new ATOM 0 HA2 GLY A 46 13.544 -18.399 -8.850 1.00 21.21 H new ATOM 0 HA3 GLY A 46 13.441 -20.021 -9.506 1.00 21.21 H new ATOM 722 N ASP A 47 16.004 -19.870 -7.654 1.00 61.00 N ATOM 723 CA ASP A 47 16.661 -20.383 -6.457 1.00 51.22 C ATOM 724 C ASP A 47 17.796 -19.461 -6.023 1.00 42.02 C ATOM 725 O ASP A 47 18.970 -19.829 -6.092 1.00 13.12 O ATOM 726 CB ASP A 47 17.199 -21.792 -6.709 1.00 45.02 C ATOM 727 CG ASP A 47 16.092 -22.809 -6.903 1.00 50.13 C ATOM 728 OD1 ASP A 47 15.318 -22.666 -7.873 1.00 14.52 O ATOM 729 OD2 ASP A 47 16.000 -23.749 -6.086 1.00 41.34 O ATOM 0 H ASP A 47 16.643 -19.533 -8.374 1.00 61.00 H new ATOM 0 HA ASP A 47 15.923 -20.423 -5.656 1.00 51.22 H new ATOM 0 HB2 ASP A 47 17.837 -21.781 -7.593 1.00 45.02 H new ATOM 0 HB3 ASP A 47 17.823 -22.095 -5.868 1.00 45.02 H new ATOM 734 N LEU A 48 17.440 -18.261 -5.577 1.00 73.44 N ATOM 735 CA LEU A 48 18.429 -17.285 -5.133 1.00 33.52 C ATOM 736 C LEU A 48 18.409 -17.143 -3.614 1.00 61.33 C ATOM 737 O LEU A 48 19.458 -17.115 -2.969 1.00 31.50 O ATOM 738 CB LEU A 48 18.164 -15.928 -5.787 1.00 25.20 C ATOM 739 CG LEU A 48 18.124 -15.916 -7.315 1.00 71.25 C ATOM 740 CD1 LEU A 48 16.956 -15.078 -7.812 1.00 2.11 C ATOM 741 CD2 LEU A 48 19.437 -15.393 -7.880 1.00 14.22 C ATOM 0 H LEU A 48 16.474 -17.941 -5.513 1.00 73.44 H new ATOM 0 HA LEU A 48 19.415 -17.640 -5.434 1.00 33.52 H new ATOM 0 HB2 LEU A 48 17.212 -15.548 -5.416 1.00 25.20 H new ATOM 0 HB3 LEU A 48 18.936 -15.232 -5.458 1.00 25.20 H new ATOM 0 HG LEU A 48 17.984 -16.939 -7.663 1.00 71.25 H new ATOM 0 HD11 LEU A 48 16.944 -15.081 -8.902 1.00 2.11 H new ATOM 0 HD12 LEU A 48 16.022 -15.497 -7.437 1.00 2.11 H new ATOM 0 HD13 LEU A 48 17.064 -14.054 -7.453 1.00 2.11 H new ATOM 0 HD21 LEU A 48 19.390 -15.392 -8.969 1.00 14.22 H new ATOM 0 HD22 LEU A 48 19.608 -14.377 -7.523 1.00 14.22 H new ATOM 0 HD23 LEU A 48 20.255 -16.035 -7.553 1.00 14.22 H new ATOM 753 N LEU A 49 17.210 -17.056 -3.049 1.00 41.10 N ATOM 754 CA LEU A 49 17.053 -16.919 -1.605 1.00 61.21 C ATOM 755 C LEU A 49 15.715 -17.491 -1.146 1.00 45.23 C ATOM 756 O LEU A 49 14.938 -17.999 -1.953 1.00 53.32 O ATOM 757 CB LEU A 49 17.159 -15.448 -1.198 1.00 32.52 C ATOM 758 CG LEU A 49 18.569 -14.857 -1.179 1.00 13.00 C ATOM 759 CD1 LEU A 49 18.931 -14.298 -2.546 1.00 3.41 C ATOM 760 CD2 LEU A 49 18.680 -13.777 -0.112 1.00 71.33 C ATOM 0 H LEU A 49 16.332 -17.078 -3.568 1.00 41.10 H new ATOM 0 HA LEU A 49 17.852 -17.481 -1.122 1.00 61.21 H new ATOM 0 HB2 LEU A 49 16.548 -14.858 -1.881 1.00 32.52 H new ATOM 0 HB3 LEU A 49 16.726 -15.335 -0.204 1.00 32.52 H new ATOM 0 HG LEU A 49 19.273 -15.653 -0.936 1.00 13.00 H new ATOM 0 HD11 LEU A 49 19.938 -13.882 -2.514 1.00 3.41 H new ATOM 0 HD12 LEU A 49 18.892 -15.096 -3.287 1.00 3.41 H new ATOM 0 HD13 LEU A 49 18.223 -13.515 -2.818 1.00 3.41 H new ATOM 0 HD21 LEU A 49 19.690 -13.367 -0.113 1.00 71.33 H new ATOM 0 HD22 LEU A 49 17.966 -12.981 -0.324 1.00 71.33 H new ATOM 0 HD23 LEU A 49 18.464 -14.208 0.866 1.00 71.33 H new ATOM 772 N GLU A 50 15.455 -17.402 0.154 1.00 15.02 N ATOM 773 CA GLU A 50 14.210 -17.909 0.719 1.00 33.43 C ATOM 774 C GLU A 50 13.878 -17.200 2.029 1.00 30.32 C ATOM 775 O GLU A 50 14.771 -16.752 2.749 1.00 35.41 O ATOM 776 CB GLU A 50 14.308 -19.418 0.954 1.00 20.21 C ATOM 777 CG GLU A 50 13.576 -20.246 -0.089 1.00 43.54 C ATOM 778 CD GLU A 50 12.754 -21.363 0.523 1.00 2.43 C ATOM 779 OE1 GLU A 50 11.833 -21.058 1.309 1.00 14.32 O ATOM 780 OE2 GLU A 50 13.032 -22.541 0.218 1.00 40.15 O ATOM 0 H GLU A 50 16.089 -16.984 0.835 1.00 15.02 H new ATOM 0 HA GLU A 50 13.410 -17.710 0.006 1.00 33.43 H new ATOM 0 HB2 GLU A 50 15.359 -19.708 0.964 1.00 20.21 H new ATOM 0 HB3 GLU A 50 13.904 -19.651 1.939 1.00 20.21 H new ATOM 0 HG2 GLU A 50 12.922 -19.596 -0.670 1.00 43.54 H new ATOM 0 HG3 GLU A 50 14.301 -20.672 -0.783 1.00 43.54 H new ATOM 787 N VAL A 51 12.587 -17.102 2.332 1.00 43.25 N ATOM 788 CA VAL A 51 12.136 -16.448 3.554 1.00 22.12 C ATOM 789 C VAL A 51 11.736 -17.473 4.610 1.00 44.21 C ATOM 790 O VAL A 51 11.183 -18.524 4.291 1.00 62.14 O ATOM 791 CB VAL A 51 10.942 -15.514 3.283 1.00 2.45 C ATOM 792 CG1 VAL A 51 9.848 -16.251 2.527 1.00 14.13 C ATOM 793 CG2 VAL A 51 10.408 -14.941 4.588 1.00 51.04 C ATOM 0 H VAL A 51 11.835 -17.468 1.747 1.00 43.25 H new ATOM 0 HA VAL A 51 12.973 -15.857 3.924 1.00 22.12 H new ATOM 0 HB VAL A 51 11.284 -14.686 2.662 1.00 2.45 H new ATOM 0 HG11 VAL A 51 9.013 -15.575 2.345 1.00 14.13 H new ATOM 0 HG12 VAL A 51 10.241 -16.608 1.575 1.00 14.13 H new ATOM 0 HG13 VAL A 51 9.505 -17.100 3.119 1.00 14.13 H new ATOM 0 HG21 VAL A 51 9.565 -14.283 4.378 1.00 51.04 H new ATOM 0 HG22 VAL A 51 10.081 -15.754 5.236 1.00 51.04 H new ATOM 0 HG23 VAL A 51 11.195 -14.374 5.086 1.00 51.04 H new ATOM 803 N ASN A 52 12.020 -17.158 5.870 1.00 62.04 N ATOM 804 CA ASN A 52 11.690 -18.052 6.974 1.00 52.23 C ATOM 805 C ASN A 52 10.421 -17.592 7.685 1.00 74.14 C ATOM 806 O ASN A 52 10.342 -16.463 8.171 1.00 42.15 O ATOM 807 CB ASN A 52 12.850 -18.117 7.969 1.00 61.10 C ATOM 808 CG ASN A 52 12.933 -19.458 8.673 1.00 42.22 C ATOM 809 OD1 ASN A 52 13.007 -19.524 9.900 1.00 50.31 O ATOM 810 ND2 ASN A 52 12.922 -20.535 7.896 1.00 20.14 N ATOM 0 H ASN A 52 12.478 -16.291 6.152 1.00 62.04 H new ATOM 0 HA ASN A 52 11.516 -19.047 6.564 1.00 52.23 H new ATOM 0 HB2 ASN A 52 13.786 -17.926 7.444 1.00 61.10 H new ATOM 0 HB3 ASN A 52 12.734 -17.327 8.711 1.00 61.10 H new ATOM 0 HD21 ASN A 52 12.976 -21.465 8.312 1.00 20.14 H new ATOM 0 HD22 ASN A 52 12.859 -20.432 6.883 1.00 20.14 H new ATOM 817 N LEU A 53 9.429 -18.474 7.742 1.00 20.23 N ATOM 818 CA LEU A 53 8.163 -18.160 8.395 1.00 74.24 C ATOM 819 C LEU A 53 8.331 -18.098 9.909 1.00 10.13 C ATOM 820 O LEU A 53 7.423 -17.680 10.627 1.00 10.11 O ATOM 821 CB LEU A 53 7.106 -19.204 8.030 1.00 32.30 C ATOM 822 CG LEU A 53 6.402 -19.006 6.687 1.00 33.12 C ATOM 823 CD1 LEU A 53 6.547 -20.247 5.820 1.00 20.01 C ATOM 824 CD2 LEU A 53 4.933 -18.671 6.900 1.00 53.34 C ATOM 0 H LEU A 53 9.477 -19.412 7.344 1.00 20.23 H new ATOM 0 HA LEU A 53 7.835 -17.181 8.045 1.00 74.24 H new ATOM 0 HB2 LEU A 53 7.580 -20.186 8.028 1.00 32.30 H new ATOM 0 HB3 LEU A 53 6.350 -19.216 8.815 1.00 32.30 H new ATOM 0 HG LEU A 53 6.874 -18.170 6.171 1.00 33.12 H new ATOM 0 HD11 LEU A 53 6.040 -20.087 4.869 1.00 20.01 H new ATOM 0 HD12 LEU A 53 7.604 -20.443 5.639 1.00 20.01 H new ATOM 0 HD13 LEU A 53 6.101 -21.101 6.330 1.00 20.01 H new ATOM 0 HD21 LEU A 53 4.447 -18.533 5.934 1.00 53.34 H new ATOM 0 HD22 LEU A 53 4.448 -19.486 7.437 1.00 53.34 H new ATOM 0 HD23 LEU A 53 4.850 -17.753 7.482 1.00 53.34 H new ATOM 836 N GLN A 54 9.499 -18.515 10.387 1.00 1.43 N ATOM 837 CA GLN A 54 9.786 -18.504 11.817 1.00 65.42 C ATOM 838 C GLN A 54 9.753 -17.083 12.369 1.00 74.13 C ATOM 839 O GLN A 54 8.933 -16.760 13.227 1.00 54.42 O ATOM 840 CB GLN A 54 11.152 -19.137 12.088 1.00 23.24 C ATOM 841 CG GLN A 54 11.373 -19.506 13.547 1.00 51.24 C ATOM 842 CD GLN A 54 10.938 -20.923 13.863 1.00 73.14 C ATOM 843 OE1 GLN A 54 11.693 -21.875 13.665 1.00 31.41 O ATOM 844 NE2 GLN A 54 9.714 -21.071 14.357 1.00 40.42 N ATOM 0 H GLN A 54 10.261 -18.864 9.806 1.00 1.43 H new ATOM 0 HA GLN A 54 9.015 -19.087 12.321 1.00 65.42 H new ATOM 0 HB2 GLN A 54 11.256 -20.033 11.476 1.00 23.24 H new ATOM 0 HB3 GLN A 54 11.933 -18.444 11.775 1.00 23.24 H new ATOM 0 HG2 GLN A 54 12.429 -19.391 13.791 1.00 51.24 H new ATOM 0 HG3 GLN A 54 10.822 -18.811 14.181 1.00 51.24 H new ATOM 0 HE21 GLN A 54 9.122 -20.254 14.505 1.00 40.42 H new ATOM 0 HE22 GLN A 54 9.366 -22.002 14.588 1.00 40.42 H new ATOM 853 N ASN A 55 10.650 -16.238 11.870 1.00 34.42 N ATOM 854 CA ASN A 55 10.723 -14.851 12.314 1.00 32.35 C ATOM 855 C ASN A 55 10.458 -13.894 11.156 1.00 34.42 C ATOM 856 O ASN A 55 10.074 -12.744 11.363 1.00 45.20 O ATOM 857 CB ASN A 55 12.095 -14.562 12.926 1.00 10.51 C ATOM 858 CG ASN A 55 12.297 -15.266 14.254 1.00 73.33 C ATOM 859 OD1 ASN A 55 11.610 -14.977 15.233 1.00 11.45 O ATOM 860 ND2 ASN A 55 13.243 -16.197 14.291 1.00 31.24 N ATOM 0 H ASN A 55 11.336 -16.490 11.158 1.00 34.42 H new ATOM 0 HA ASN A 55 9.955 -14.697 13.072 1.00 32.35 H new ATOM 0 HB2 ASN A 55 12.873 -14.875 12.230 1.00 10.51 H new ATOM 0 HB3 ASN A 55 12.207 -13.487 13.067 1.00 10.51 H new ATOM 0 HD21 ASN A 55 13.424 -16.706 15.156 1.00 31.24 H new ATOM 0 HD22 ASN A 55 13.788 -16.403 13.454 1.00 31.24 H new ATOM 867 N GLY A 56 10.664 -14.380 9.935 1.00 1.45 N ATOM 868 CA GLY A 56 10.442 -13.555 8.762 1.00 2.01 C ATOM 869 C GLY A 56 11.737 -13.136 8.095 1.00 40.41 C ATOM 870 O GLY A 56 11.738 -12.707 6.940 1.00 34.24 O ATOM 0 H GLY A 56 10.980 -15.329 9.738 1.00 1.45 H new ATOM 0 HA2 GLY A 56 9.829 -14.103 8.047 1.00 2.01 H new ATOM 0 HA3 GLY A 56 9.880 -12.666 9.048 1.00 2.01 H new ATOM 874 N ILE A 57 12.842 -13.257 8.823 1.00 41.03 N ATOM 875 CA ILE A 57 14.149 -12.886 8.294 1.00 71.40 C ATOM 876 C ILE A 57 14.425 -13.589 6.969 1.00 2.00 C ATOM 877 O ILE A 57 14.018 -14.733 6.763 1.00 33.04 O ATOM 878 CB ILE A 57 15.275 -13.227 9.287 1.00 23.05 C ATOM 879 CG1 ILE A 57 16.610 -12.668 8.790 1.00 30.20 C ATOM 880 CG2 ILE A 57 15.367 -14.732 9.488 1.00 21.34 C ATOM 881 CD1 ILE A 57 16.597 -11.170 8.581 1.00 64.25 C ATOM 0 H ILE A 57 12.858 -13.609 9.780 1.00 41.03 H new ATOM 0 HA ILE A 57 14.131 -11.808 8.134 1.00 71.40 H new ATOM 0 HB ILE A 57 15.044 -12.766 10.247 1.00 23.05 H new ATOM 0 HG12 ILE A 57 17.390 -12.920 9.508 1.00 30.20 H new ATOM 0 HG13 ILE A 57 16.872 -13.156 7.851 1.00 30.20 H new ATOM 0 HG21 ILE A 57 16.168 -14.957 10.193 1.00 21.34 H new ATOM 0 HG22 ILE A 57 14.422 -15.105 9.882 1.00 21.34 H new ATOM 0 HG23 ILE A 57 15.578 -15.214 8.534 1.00 21.34 H new ATOM 0 HD11 ILE A 57 17.575 -10.843 8.229 1.00 64.25 H new ATOM 0 HD12 ILE A 57 15.840 -10.913 7.840 1.00 64.25 H new ATOM 0 HD13 ILE A 57 16.366 -10.673 9.523 1.00 64.25 H new ATOM 893 N LEU A 58 15.121 -12.898 6.073 1.00 5.24 N ATOM 894 CA LEU A 58 15.455 -13.456 4.767 1.00 0.24 C ATOM 895 C LEU A 58 16.874 -14.014 4.760 1.00 25.11 C ATOM 896 O LEU A 58 17.843 -13.279 4.952 1.00 0.34 O ATOM 897 CB LEU A 58 15.309 -12.388 3.682 1.00 4.52 C ATOM 898 CG LEU A 58 14.944 -12.894 2.287 1.00 54.04 C ATOM 899 CD1 LEU A 58 16.064 -13.752 1.719 1.00 1.43 C ATOM 900 CD2 LEU A 58 13.639 -13.677 2.328 1.00 2.32 C ATOM 0 H LEU A 58 15.465 -11.950 6.227 1.00 5.24 H new ATOM 0 HA LEU A 58 14.763 -14.272 4.560 1.00 0.24 H new ATOM 0 HB2 LEU A 58 14.546 -11.678 4.000 1.00 4.52 H new ATOM 0 HB3 LEU A 58 16.248 -11.838 3.613 1.00 4.52 H new ATOM 0 HG LEU A 58 14.808 -12.032 1.634 1.00 54.04 H new ATOM 0 HD11 LEU A 58 15.785 -14.103 0.725 1.00 1.43 H new ATOM 0 HD12 LEU A 58 16.977 -13.161 1.652 1.00 1.43 H new ATOM 0 HD13 LEU A 58 16.233 -14.608 2.372 1.00 1.43 H new ATOM 0 HD21 LEU A 58 13.395 -14.030 1.326 1.00 2.32 H new ATOM 0 HD22 LEU A 58 13.748 -14.531 2.997 1.00 2.32 H new ATOM 0 HD23 LEU A 58 12.839 -13.032 2.691 1.00 2.32 H new ATOM 912 N PHE A 59 16.990 -15.319 4.535 1.00 5.31 N ATOM 913 CA PHE A 59 18.292 -15.976 4.501 1.00 12.12 C ATOM 914 C PHE A 59 18.686 -16.328 3.070 1.00 61.21 C ATOM 915 O PHE A 59 17.837 -16.409 2.182 1.00 20.41 O ATOM 916 CB PHE A 59 18.271 -17.240 5.362 1.00 32.53 C ATOM 917 CG PHE A 59 17.491 -18.369 4.751 1.00 63.33 C ATOM 918 CD1 PHE A 59 16.106 -18.364 4.773 1.00 60.21 C ATOM 919 CD2 PHE A 59 18.144 -19.436 4.154 1.00 42.11 C ATOM 920 CE1 PHE A 59 15.386 -19.401 4.211 1.00 73.34 C ATOM 921 CE2 PHE A 59 17.429 -20.475 3.590 1.00 62.44 C ATOM 922 CZ PHE A 59 16.048 -20.459 3.619 1.00 4.21 C ATOM 0 H PHE A 59 16.199 -15.942 4.374 1.00 5.31 H new ATOM 0 HA PHE A 59 19.032 -15.283 4.903 1.00 12.12 H new ATOM 0 HB2 PHE A 59 19.296 -17.569 5.535 1.00 32.53 H new ATOM 0 HB3 PHE A 59 17.844 -17.000 6.336 1.00 32.53 H new ATOM 0 HD1 PHE A 59 15.583 -17.540 5.235 1.00 60.21 H new ATOM 0 HD2 PHE A 59 19.224 -19.455 4.129 1.00 42.11 H new ATOM 0 HE1 PHE A 59 14.306 -19.384 4.235 1.00 73.34 H new ATOM 0 HE2 PHE A 59 17.950 -21.300 3.126 1.00 62.44 H new ATOM 0 HZ PHE A 59 15.488 -21.271 3.180 1.00 4.21 H new ATOM 932 N VAL A 60 19.981 -16.536 2.853 1.00 0.02 N ATOM 933 CA VAL A 60 20.489 -16.880 1.531 1.00 63.13 C ATOM 934 C VAL A 60 20.128 -18.314 1.159 1.00 3.12 C ATOM 935 O VAL A 60 20.081 -19.195 2.017 1.00 51.23 O ATOM 936 CB VAL A 60 22.018 -16.711 1.456 1.00 64.53 C ATOM 937 CG1 VAL A 60 22.520 -17.002 0.049 1.00 34.13 C ATOM 938 CG2 VAL A 60 22.422 -15.312 1.896 1.00 71.32 C ATOM 0 H VAL A 60 20.697 -16.472 3.576 1.00 0.02 H new ATOM 0 HA VAL A 60 20.020 -16.196 0.824 1.00 63.13 H new ATOM 0 HB VAL A 60 22.478 -17.428 2.136 1.00 64.53 H new ATOM 0 HG11 VAL A 60 23.602 -16.877 0.016 1.00 34.13 H new ATOM 0 HG12 VAL A 60 22.264 -18.026 -0.224 1.00 34.13 H new ATOM 0 HG13 VAL A 60 22.054 -16.312 -0.654 1.00 34.13 H new ATOM 0 HG21 VAL A 60 23.506 -15.211 1.837 1.00 71.32 H new ATOM 0 HG22 VAL A 60 21.952 -14.576 1.244 1.00 71.32 H new ATOM 0 HG23 VAL A 60 22.098 -15.146 2.923 1.00 71.32 H new ATOM 948 N ASN A 61 19.875 -18.541 -0.126 1.00 12.43 N ATOM 949 CA ASN A 61 19.518 -19.869 -0.612 1.00 12.54 C ATOM 950 C ASN A 61 20.111 -20.119 -1.995 1.00 20.33 C ATOM 951 O ASN A 61 19.447 -20.663 -2.877 1.00 31.00 O ATOM 952 CB ASN A 61 17.997 -20.024 -0.661 1.00 34.51 C ATOM 953 CG ASN A 61 17.566 -21.478 -0.714 1.00 12.52 C ATOM 954 OD1 ASN A 61 17.548 -22.093 -1.780 1.00 1.20 O ATOM 955 ND2 ASN A 61 17.215 -22.033 0.440 1.00 3.14 N ATOM 0 H ASN A 61 19.911 -17.823 -0.849 1.00 12.43 H new ATOM 0 HA ASN A 61 19.930 -20.605 0.079 1.00 12.54 H new ATOM 0 HB2 ASN A 61 17.558 -19.549 0.216 1.00 34.51 H new ATOM 0 HB3 ASN A 61 17.609 -19.501 -1.535 1.00 34.51 H new ATOM 0 HD21 ASN A 61 16.915 -23.008 0.467 1.00 3.14 H new ATOM 0 HD22 ASN A 61 17.245 -21.485 1.300 1.00 3.14 H new ATOM 962 N SER A 62 21.366 -19.719 -2.176 1.00 33.51 N ATOM 963 CA SER A 62 22.048 -19.898 -3.452 1.00 50.32 C ATOM 964 C SER A 62 23.516 -19.495 -3.345 1.00 15.44 C ATOM 965 O SER A 62 23.974 -19.054 -2.290 1.00 52.14 O ATOM 966 CB SER A 62 21.360 -19.074 -4.542 1.00 14.40 C ATOM 967 OG SER A 62 21.822 -17.734 -4.537 1.00 71.10 O ATOM 0 H SER A 62 21.930 -19.269 -1.455 1.00 33.51 H new ATOM 0 HA SER A 62 21.997 -20.954 -3.718 1.00 50.32 H new ATOM 0 HB2 SER A 62 21.550 -19.524 -5.517 1.00 14.40 H new ATOM 0 HB3 SER A 62 20.281 -19.090 -4.388 1.00 14.40 H new ATOM 0 HG SER A 62 21.193 -17.173 -4.037 1.00 71.10 H new ATOM 973 N ARG A 63 24.247 -19.649 -4.443 1.00 61.33 N ATOM 974 CA ARG A 63 25.663 -19.303 -4.473 1.00 61.23 C ATOM 975 C ARG A 63 25.852 -17.804 -4.687 1.00 31.14 C ATOM 976 O ARG A 63 25.338 -17.235 -5.650 1.00 0.20 O ATOM 977 CB ARG A 63 26.377 -20.081 -5.581 1.00 14.41 C ATOM 978 CG ARG A 63 26.918 -21.427 -5.128 1.00 51.15 C ATOM 979 CD ARG A 63 28.385 -21.335 -4.741 1.00 24.44 C ATOM 980 NE ARG A 63 28.625 -20.292 -3.748 1.00 1.43 N ATOM 981 CZ ARG A 63 28.365 -20.435 -2.453 1.00 23.20 C ATOM 982 NH1 ARG A 63 27.861 -21.573 -1.997 1.00 74.40 N ATOM 983 NH2 ARG A 63 28.611 -19.439 -1.611 1.00 72.33 N ATOM 0 H ARG A 63 23.883 -20.011 -5.324 1.00 61.33 H new ATOM 0 HA ARG A 63 26.098 -19.573 -3.511 1.00 61.23 H new ATOM 0 HB2 ARG A 63 25.684 -20.237 -6.408 1.00 14.41 H new ATOM 0 HB3 ARG A 63 27.200 -19.478 -5.964 1.00 14.41 H new ATOM 0 HG2 ARG A 63 26.338 -21.786 -4.278 1.00 51.15 H new ATOM 0 HG3 ARG A 63 26.797 -22.157 -5.928 1.00 51.15 H new ATOM 0 HD2 ARG A 63 28.716 -22.295 -4.345 1.00 24.44 H new ATOM 0 HD3 ARG A 63 28.982 -21.133 -5.630 1.00 24.44 H new ATOM 0 HE ARG A 63 29.014 -19.404 -4.066 1.00 1.43 H new ATOM 0 HH11 ARG A 63 27.672 -22.341 -2.641 1.00 74.40 H new ATOM 0 HH12 ARG A 63 27.662 -21.680 -1.002 1.00 74.40 H new ATOM 0 HH21 ARG A 63 29.000 -18.562 -1.958 1.00 72.33 H new ATOM 0 HH22 ARG A 63 28.411 -19.550 -0.617 1.00 72.33 H new ATOM 997 N ILE A 64 26.591 -17.172 -3.782 1.00 0.54 N ATOM 998 CA ILE A 64 26.848 -15.740 -3.871 1.00 53.54 C ATOM 999 C ILE A 64 28.293 -15.464 -4.274 1.00 75.20 C ATOM 1000 O ILE A 64 28.625 -14.366 -4.720 1.00 10.23 O ATOM 1001 CB ILE A 64 26.555 -15.030 -2.536 1.00 74.21 C ATOM 1002 CG1 ILE A 64 25.207 -15.489 -1.975 1.00 1.10 C ATOM 1003 CG2 ILE A 64 26.570 -13.521 -2.724 1.00 2.52 C ATOM 1004 CD1 ILE A 64 24.048 -15.253 -2.918 1.00 0.33 C ATOM 0 H ILE A 64 27.022 -17.629 -2.979 1.00 0.54 H new ATOM 0 HA ILE A 64 26.178 -15.347 -4.636 1.00 53.54 H new ATOM 0 HB ILE A 64 27.334 -15.295 -1.822 1.00 74.21 H new ATOM 0 HG12 ILE A 64 25.263 -16.552 -1.740 1.00 1.10 H new ATOM 0 HG13 ILE A 64 25.015 -14.966 -1.038 1.00 1.10 H new ATOM 0 HG21 ILE A 64 26.361 -13.034 -1.772 1.00 2.52 H new ATOM 0 HG22 ILE A 64 27.550 -13.209 -3.084 1.00 2.52 H new ATOM 0 HG23 ILE A 64 25.809 -13.237 -3.451 1.00 2.52 H new ATOM 0 HD11 ILE A 64 23.125 -15.602 -2.455 1.00 0.33 H new ATOM 0 HD12 ILE A 64 23.965 -14.188 -3.133 1.00 0.33 H new ATOM 0 HD13 ILE A 64 24.217 -15.799 -3.846 1.00 0.33 H new ATOM 1016 N ASP A 65 29.147 -16.469 -4.116 1.00 34.24 N ATOM 1017 CA ASP A 65 30.556 -16.337 -4.465 1.00 62.04 C ATOM 1018 C ASP A 65 30.716 -15.745 -5.862 1.00 62.12 C ATOM 1019 O ASP A 65 29.997 -16.115 -6.790 1.00 74.11 O ATOM 1020 CB ASP A 65 31.252 -17.697 -4.392 1.00 33.23 C ATOM 1021 CG ASP A 65 32.758 -17.572 -4.271 1.00 53.33 C ATOM 1022 OD1 ASP A 65 33.228 -16.534 -3.760 1.00 11.23 O ATOM 1023 OD2 ASP A 65 33.466 -18.512 -4.688 1.00 1.31 O ATOM 0 H ASP A 65 28.888 -17.384 -3.748 1.00 34.24 H new ATOM 0 HA ASP A 65 31.021 -15.661 -3.747 1.00 62.04 H new ATOM 0 HB2 ASP A 65 30.867 -18.253 -3.537 1.00 33.23 H new ATOM 0 HB3 ASP A 65 31.009 -18.274 -5.284 1.00 33.23 H new ATOM 1028 N ARG A 66 31.663 -14.823 -6.004 1.00 22.41 N ATOM 1029 CA ARG A 66 31.916 -14.179 -7.287 1.00 11.42 C ATOM 1030 C ARG A 66 32.137 -15.217 -8.383 1.00 54.20 C ATOM 1031 O ARG A 66 31.943 -14.935 -9.565 1.00 62.31 O ATOM 1032 CB ARG A 66 33.134 -13.259 -7.188 1.00 42.30 C ATOM 1033 CG ARG A 66 34.310 -13.882 -6.453 1.00 13.41 C ATOM 1034 CD ARG A 66 35.627 -13.576 -7.149 1.00 30.32 C ATOM 1035 NE ARG A 66 36.733 -14.350 -6.591 1.00 11.35 N ATOM 1036 CZ ARG A 66 38.012 -14.050 -6.787 1.00 1.11 C ATOM 1037 NH1 ARG A 66 38.345 -12.999 -7.523 1.00 54.15 N ATOM 1038 NH2 ARG A 66 38.962 -14.802 -6.245 1.00 73.04 N ATOM 0 H ARG A 66 32.267 -14.506 -5.246 1.00 22.41 H new ATOM 0 HA ARG A 66 31.040 -13.585 -7.546 1.00 11.42 H new ATOM 0 HB2 ARG A 66 33.451 -12.980 -8.193 1.00 42.30 H new ATOM 0 HB3 ARG A 66 32.844 -12.340 -6.679 1.00 42.30 H new ATOM 0 HG2 ARG A 66 34.342 -13.506 -5.430 1.00 13.41 H new ATOM 0 HG3 ARG A 66 34.172 -14.961 -6.392 1.00 13.41 H new ATOM 0 HD2 ARG A 66 35.534 -13.792 -8.213 1.00 30.32 H new ATOM 0 HD3 ARG A 66 35.847 -12.512 -7.058 1.00 30.32 H new ATOM 0 HE ARG A 66 36.511 -15.165 -6.020 1.00 11.35 H new ATOM 0 HH11 ARG A 66 37.618 -12.418 -7.941 1.00 54.15 H new ATOM 0 HH12 ARG A 66 39.328 -12.771 -7.672 1.00 54.15 H new ATOM 0 HH21 ARG A 66 38.710 -15.611 -5.677 1.00 73.04 H new ATOM 0 HH22 ARG A 66 39.944 -14.571 -6.396 1.00 73.04 H new ATOM 1052 N GLU A 67 32.543 -16.417 -7.981 1.00 61.11 N ATOM 1053 CA GLU A 67 32.791 -17.496 -8.930 1.00 62.11 C ATOM 1054 C GLU A 67 31.494 -17.942 -9.599 1.00 11.42 C ATOM 1055 O GLU A 67 31.366 -17.892 -10.822 1.00 14.54 O ATOM 1056 CB GLU A 67 33.448 -18.684 -8.225 1.00 25.32 C ATOM 1057 CG GLU A 67 34.913 -18.871 -8.584 1.00 1.04 C ATOM 1058 CD GLU A 67 35.605 -19.889 -7.699 1.00 23.34 C ATOM 1059 OE1 GLU A 67 35.919 -19.550 -6.538 1.00 41.03 O ATOM 1060 OE2 GLU A 67 35.834 -21.025 -8.166 1.00 15.52 O ATOM 0 H GLU A 67 32.707 -16.666 -7.006 1.00 61.11 H new ATOM 0 HA GLU A 67 33.466 -17.120 -9.699 1.00 62.11 H new ATOM 0 HB2 GLU A 67 33.361 -18.549 -7.147 1.00 25.32 H new ATOM 0 HB3 GLU A 67 32.902 -19.593 -8.478 1.00 25.32 H new ATOM 0 HG2 GLU A 67 34.991 -19.187 -9.624 1.00 1.04 H new ATOM 0 HG3 GLU A 67 35.428 -17.914 -8.502 1.00 1.04 H new ATOM 1067 N GLU A 68 30.536 -18.378 -8.787 1.00 12.51 N ATOM 1068 CA GLU A 68 29.249 -18.833 -9.300 1.00 63.32 C ATOM 1069 C GLU A 68 28.321 -17.652 -9.568 1.00 31.24 C ATOM 1070 O GLU A 68 27.725 -17.547 -10.640 1.00 54.13 O ATOM 1071 CB GLU A 68 28.593 -19.798 -8.310 1.00 61.14 C ATOM 1072 CG GLU A 68 28.498 -21.225 -8.823 1.00 61.24 C ATOM 1073 CD GLU A 68 27.251 -21.465 -9.652 1.00 63.44 C ATOM 1074 OE1 GLU A 68 26.608 -20.475 -10.058 1.00 61.12 O ATOM 1075 OE2 GLU A 68 26.919 -22.645 -9.895 1.00 44.43 O ATOM 0 H GLU A 68 30.627 -18.426 -7.772 1.00 12.51 H new ATOM 0 HA GLU A 68 29.426 -19.354 -10.241 1.00 63.32 H new ATOM 0 HB2 GLU A 68 29.161 -19.792 -7.380 1.00 61.14 H new ATOM 0 HB3 GLU A 68 27.591 -19.438 -8.074 1.00 61.14 H new ATOM 0 HG2 GLU A 68 29.379 -21.450 -9.425 1.00 61.24 H new ATOM 0 HG3 GLU A 68 28.505 -21.912 -7.977 1.00 61.24 H new ATOM 1082 N LEU A 69 28.203 -16.766 -8.585 1.00 73.10 N ATOM 1083 CA LEU A 69 27.347 -15.592 -8.713 1.00 14.24 C ATOM 1084 C LEU A 69 27.565 -14.902 -10.055 1.00 41.23 C ATOM 1085 O LEU A 69 26.716 -14.968 -10.945 1.00 2.22 O ATOM 1086 CB LEU A 69 27.620 -14.610 -7.571 1.00 61.55 C ATOM 1087 CG LEU A 69 26.513 -13.597 -7.278 1.00 23.22 C ATOM 1088 CD1 LEU A 69 25.254 -14.305 -6.803 1.00 31.03 C ATOM 1089 CD2 LEU A 69 26.980 -12.583 -6.244 1.00 14.23 C ATOM 0 H LEU A 69 28.689 -16.838 -7.691 1.00 73.10 H new ATOM 0 HA LEU A 69 26.310 -15.922 -8.660 1.00 14.24 H new ATOM 0 HB2 LEU A 69 27.810 -15.183 -6.663 1.00 61.55 H new ATOM 0 HB3 LEU A 69 28.534 -14.063 -7.800 1.00 61.55 H new ATOM 0 HG LEU A 69 26.279 -13.065 -8.200 1.00 23.22 H new ATOM 0 HD11 LEU A 69 24.477 -13.568 -6.599 1.00 31.03 H new ATOM 0 HD12 LEU A 69 24.909 -14.992 -7.576 1.00 31.03 H new ATOM 0 HD13 LEU A 69 25.472 -14.863 -5.893 1.00 31.03 H new ATOM 0 HD21 LEU A 69 26.180 -11.869 -6.047 1.00 14.23 H new ATOM 0 HD22 LEU A 69 27.241 -13.099 -5.320 1.00 14.23 H new ATOM 0 HD23 LEU A 69 27.854 -12.053 -6.623 1.00 14.23 H new ATOM 1101 N CYS A 70 28.710 -14.242 -10.196 1.00 13.40 N ATOM 1102 CA CYS A 70 29.042 -13.541 -11.430 1.00 51.43 C ATOM 1103 C CYS A 70 30.535 -13.232 -11.496 1.00 20.32 C ATOM 1104 O CYS A 70 31.215 -13.603 -12.452 1.00 52.50 O ATOM 1105 CB CYS A 70 28.237 -12.244 -11.537 1.00 42.24 C ATOM 1106 SG CYS A 70 27.893 -11.448 -9.935 1.00 51.24 S ATOM 0 H CYS A 70 29.424 -14.178 -9.470 1.00 13.40 H new ATOM 0 HA CYS A 70 28.786 -14.190 -12.267 1.00 51.43 H new ATOM 0 HB2 CYS A 70 28.781 -11.543 -12.170 1.00 42.24 H new ATOM 0 HB3 CYS A 70 27.291 -12.456 -12.036 1.00 42.24 H new ATOM 1111 N GLY A 71 31.039 -12.552 -10.471 1.00 11.44 N ATOM 1112 CA GLY A 71 32.448 -12.205 -10.431 1.00 35.12 C ATOM 1113 C GLY A 71 32.847 -11.271 -11.556 1.00 12.12 C ATOM 1114 O GLY A 71 34.034 -11.085 -11.826 1.00 35.41 O ATOM 0 H GLY A 71 30.497 -12.235 -9.667 1.00 11.44 H new ATOM 0 HA2 GLY A 71 32.676 -11.735 -9.474 1.00 35.12 H new ATOM 0 HA3 GLY A 71 33.045 -13.115 -10.489 1.00 35.12 H new ATOM 1118 N ARG A 72 31.854 -10.682 -12.215 1.00 30.43 N ATOM 1119 CA ARG A 72 32.108 -9.765 -13.319 1.00 11.12 C ATOM 1120 C ARG A 72 32.596 -8.414 -12.802 1.00 73.43 C ATOM 1121 O ARG A 72 33.780 -8.094 -12.896 1.00 43.33 O ATOM 1122 CB ARG A 72 30.841 -9.576 -14.155 1.00 14.34 C ATOM 1123 CG ARG A 72 30.742 -10.528 -15.335 1.00 33.20 C ATOM 1124 CD ARG A 72 31.234 -9.878 -16.618 1.00 40.23 C ATOM 1125 NE ARG A 72 30.214 -9.028 -17.227 1.00 43.13 N ATOM 1126 CZ ARG A 72 29.134 -9.500 -17.840 1.00 44.20 C ATOM 1127 NH1 ARG A 72 28.934 -10.808 -17.924 1.00 43.24 N ATOM 1128 NH2 ARG A 72 28.251 -8.663 -18.370 1.00 5.34 N ATOM 0 H ARG A 72 30.866 -10.824 -12.003 1.00 30.43 H new ATOM 0 HA ARG A 72 32.887 -10.198 -13.946 1.00 11.12 H new ATOM 0 HB2 ARG A 72 29.970 -9.713 -13.515 1.00 14.34 H new ATOM 0 HB3 ARG A 72 30.808 -8.550 -14.523 1.00 14.34 H new ATOM 0 HG2 ARG A 72 31.329 -11.424 -15.131 1.00 33.20 H new ATOM 0 HG3 ARG A 72 29.707 -10.847 -15.461 1.00 33.20 H new ATOM 0 HD2 ARG A 72 32.122 -9.283 -16.405 1.00 40.23 H new ATOM 0 HD3 ARG A 72 31.531 -10.652 -17.326 1.00 40.23 H new ATOM 0 HE ARG A 72 30.338 -8.017 -17.179 1.00 43.13 H new ATOM 0 HH11 ARG A 72 29.610 -11.454 -17.517 1.00 43.24 H new ATOM 0 HH12 ARG A 72 28.104 -11.168 -18.395 1.00 43.24 H new ATOM 0 HH21 ARG A 72 28.401 -7.656 -18.307 1.00 5.34 H new ATOM 0 HH22 ARG A 72 27.422 -9.027 -18.840 1.00 5.34 H new ATOM 1142 N SER A 73 31.674 -7.627 -12.257 1.00 72.21 N ATOM 1143 CA SER A 73 32.009 -6.310 -11.730 1.00 11.45 C ATOM 1144 C SER A 73 32.077 -6.336 -10.206 1.00 12.14 C ATOM 1145 O SER A 73 31.534 -7.235 -9.565 1.00 33.04 O ATOM 1146 CB SER A 73 30.978 -5.276 -12.188 1.00 31.33 C ATOM 1147 OG SER A 73 31.534 -3.973 -12.201 1.00 53.22 O ATOM 0 H SER A 73 30.689 -7.879 -12.169 1.00 72.21 H new ATOM 0 HA SER A 73 32.989 -6.030 -12.116 1.00 11.45 H new ATOM 0 HB2 SER A 73 30.620 -5.532 -13.185 1.00 31.33 H new ATOM 0 HB3 SER A 73 30.114 -5.300 -11.523 1.00 31.33 H new ATOM 0 HG SER A 73 30.856 -3.331 -12.499 1.00 53.22 H new ATOM 1153 N ALA A 74 32.748 -5.342 -9.632 1.00 62.54 N ATOM 1154 CA ALA A 74 32.886 -5.249 -8.184 1.00 62.33 C ATOM 1155 C ALA A 74 31.523 -5.160 -7.508 1.00 14.44 C ATOM 1156 O ALA A 74 31.391 -5.445 -6.318 1.00 74.10 O ATOM 1157 CB ALA A 74 33.742 -4.048 -7.812 1.00 4.00 C ATOM 0 H ALA A 74 33.204 -4.590 -10.148 1.00 62.54 H new ATOM 0 HA ALA A 74 33.379 -6.155 -7.831 1.00 62.33 H new ATOM 0 HB1 ALA A 74 33.837 -3.991 -6.728 1.00 4.00 H new ATOM 0 HB2 ALA A 74 34.731 -4.154 -8.258 1.00 4.00 H new ATOM 0 HB3 ALA A 74 33.272 -3.137 -8.184 1.00 4.00 H new ATOM 1163 N GLU A 75 30.512 -4.761 -8.274 1.00 11.34 N ATOM 1164 CA GLU A 75 29.159 -4.632 -7.746 1.00 33.23 C ATOM 1165 C GLU A 75 28.167 -5.423 -8.594 1.00 14.22 C ATOM 1166 O GLU A 75 27.941 -5.107 -9.762 1.00 40.43 O ATOM 1167 CB GLU A 75 28.744 -3.160 -7.696 1.00 65.11 C ATOM 1168 CG GLU A 75 28.726 -2.580 -6.292 1.00 4.11 C ATOM 1169 CD GLU A 75 27.803 -1.384 -6.167 1.00 12.23 C ATOM 1170 OE1 GLU A 75 26.731 -1.393 -6.809 1.00 4.35 O ATOM 1171 OE2 GLU A 75 28.151 -0.439 -5.428 1.00 30.42 O ATOM 0 H GLU A 75 30.604 -4.522 -9.261 1.00 11.34 H new ATOM 0 HA GLU A 75 29.151 -5.038 -6.734 1.00 33.23 H new ATOM 0 HB2 GLU A 75 29.429 -2.577 -8.312 1.00 65.11 H new ATOM 0 HB3 GLU A 75 27.752 -3.056 -8.136 1.00 65.11 H new ATOM 0 HG2 GLU A 75 28.413 -3.351 -5.588 1.00 4.11 H new ATOM 0 HG3 GLU A 75 29.737 -2.285 -6.012 1.00 4.11 H new ATOM 1178 N CYS A 76 27.577 -6.453 -7.997 1.00 72.31 N ATOM 1179 CA CYS A 76 26.610 -7.291 -8.696 1.00 33.02 C ATOM 1180 C CYS A 76 25.210 -7.105 -8.117 1.00 2.03 C ATOM 1181 O CYS A 76 25.012 -7.193 -6.905 1.00 12.20 O ATOM 1182 CB CYS A 76 27.019 -8.762 -8.606 1.00 62.41 C ATOM 1183 SG CYS A 76 27.369 -9.536 -10.218 1.00 23.44 S ATOM 0 H CYS A 76 27.752 -6.728 -7.030 1.00 72.31 H new ATOM 0 HA CYS A 76 26.595 -6.988 -9.743 1.00 33.02 H new ATOM 0 HB2 CYS A 76 27.904 -8.844 -7.976 1.00 62.41 H new ATOM 0 HB3 CYS A 76 26.223 -9.320 -8.112 1.00 62.41 H new ATOM 1188 N SER A 77 24.243 -6.848 -8.992 1.00 1.35 N ATOM 1189 CA SER A 77 22.863 -6.646 -8.568 1.00 14.45 C ATOM 1190 C SER A 77 22.030 -7.901 -8.811 1.00 43.21 C ATOM 1191 O SER A 77 22.233 -8.612 -9.796 1.00 51.40 O ATOM 1192 CB SER A 77 22.247 -5.459 -9.312 1.00 32.24 C ATOM 1193 OG SER A 77 22.380 -4.263 -8.563 1.00 72.23 O ATOM 0 H SER A 77 24.390 -6.775 -9.999 1.00 1.35 H new ATOM 0 HA SER A 77 22.865 -6.434 -7.499 1.00 14.45 H new ATOM 0 HB2 SER A 77 22.733 -5.341 -10.281 1.00 32.24 H new ATOM 0 HB3 SER A 77 21.192 -5.655 -9.506 1.00 32.24 H new ATOM 0 HG SER A 77 21.980 -3.519 -9.061 1.00 72.23 H new ATOM 1199 N ILE A 78 21.094 -8.167 -7.907 1.00 14.51 N ATOM 1200 CA ILE A 78 20.230 -9.335 -8.023 1.00 54.33 C ATOM 1201 C ILE A 78 18.759 -8.942 -7.936 1.00 51.52 C ATOM 1202 O ILE A 78 18.378 -8.095 -7.127 1.00 22.13 O ATOM 1203 CB ILE A 78 20.537 -10.374 -6.929 1.00 43.21 C ATOM 1204 CG1 ILE A 78 22.007 -10.795 -6.994 1.00 72.31 C ATOM 1205 CG2 ILE A 78 19.627 -11.584 -7.076 1.00 54.44 C ATOM 1206 CD1 ILE A 78 22.868 -10.149 -5.932 1.00 45.44 C ATOM 0 H ILE A 78 20.914 -7.589 -7.086 1.00 14.51 H new ATOM 0 HA ILE A 78 20.429 -9.778 -8.999 1.00 54.33 H new ATOM 0 HB ILE A 78 20.350 -9.921 -5.955 1.00 43.21 H new ATOM 0 HG12 ILE A 78 22.071 -11.878 -6.893 1.00 72.31 H new ATOM 0 HG13 ILE A 78 22.406 -10.543 -7.977 1.00 72.31 H new ATOM 0 HG21 ILE A 78 19.857 -12.309 -6.295 1.00 54.44 H new ATOM 0 HG22 ILE A 78 18.587 -11.270 -6.985 1.00 54.44 H new ATOM 0 HG23 ILE A 78 19.784 -12.041 -8.053 1.00 54.44 H new ATOM 0 HD11 ILE A 78 23.897 -10.493 -6.039 1.00 45.44 H new ATOM 0 HD12 ILE A 78 22.834 -9.065 -6.046 1.00 45.44 H new ATOM 0 HD13 ILE A 78 22.494 -10.422 -4.945 1.00 45.44 H new ATOM 1218 N HIS A 79 17.935 -9.563 -8.774 1.00 41.12 N ATOM 1219 CA HIS A 79 16.504 -9.280 -8.791 1.00 4.35 C ATOM 1220 C HIS A 79 15.704 -10.501 -8.349 1.00 73.23 C ATOM 1221 O HIS A 79 16.044 -11.635 -8.688 1.00 62.44 O ATOM 1222 CB HIS A 79 16.065 -8.845 -10.189 1.00 70.41 C ATOM 1223 CG HIS A 79 16.971 -7.829 -10.813 1.00 11.32 C ATOM 1224 ND1 HIS A 79 17.541 -7.992 -12.058 1.00 12.42 N ATOM 1225 CD2 HIS A 79 17.403 -6.630 -10.357 1.00 3.14 C ATOM 1226 CE1 HIS A 79 18.286 -6.938 -12.340 1.00 10.13 C ATOM 1227 NE2 HIS A 79 18.219 -6.096 -11.324 1.00 22.52 N ATOM 0 H HIS A 79 18.234 -10.266 -9.450 1.00 41.12 H new ATOM 0 HA HIS A 79 16.311 -8.468 -8.090 1.00 4.35 H new ATOM 0 HB2 HIS A 79 16.017 -9.722 -10.835 1.00 70.41 H new ATOM 0 HB3 HIS A 79 15.057 -8.435 -10.133 1.00 70.41 H new ATOM 0 HD2 HIS A 79 17.153 -6.177 -9.409 1.00 3.14 H new ATOM 0 HE1 HIS A 79 18.853 -6.790 -13.247 1.00 10.13 H new ATOM 0 HE2 HIS A 79 18.696 -5.196 -11.267 1.00 22.52 H new ATOM 1235 N LEU A 80 14.639 -10.262 -7.591 1.00 63.41 N ATOM 1236 CA LEU A 80 13.790 -11.343 -7.103 1.00 30.24 C ATOM 1237 C LEU A 80 12.323 -10.926 -7.105 1.00 73.31 C ATOM 1238 O LEU A 80 12.006 -9.738 -7.061 1.00 33.20 O ATOM 1239 CB LEU A 80 14.213 -11.752 -5.691 1.00 22.43 C ATOM 1240 CG LEU A 80 13.380 -12.853 -5.033 1.00 23.21 C ATOM 1241 CD1 LEU A 80 14.248 -13.704 -4.118 1.00 75.44 C ATOM 1242 CD2 LEU A 80 12.217 -12.251 -4.259 1.00 13.12 C ATOM 0 H LEU A 80 14.343 -9.330 -7.301 1.00 63.41 H new ATOM 0 HA LEU A 80 13.908 -12.195 -7.773 1.00 30.24 H new ATOM 0 HB2 LEU A 80 15.251 -12.081 -5.726 1.00 22.43 H new ATOM 0 HB3 LEU A 80 14.180 -10.869 -5.053 1.00 22.43 H new ATOM 0 HG LEU A 80 12.976 -13.494 -5.817 1.00 23.21 H new ATOM 0 HD11 LEU A 80 13.639 -14.482 -3.659 1.00 75.44 H new ATOM 0 HD12 LEU A 80 15.047 -14.165 -4.699 1.00 75.44 H new ATOM 0 HD13 LEU A 80 14.681 -13.076 -3.340 1.00 75.44 H new ATOM 0 HD21 LEU A 80 11.635 -13.049 -3.798 1.00 13.12 H new ATOM 0 HD22 LEU A 80 12.600 -11.587 -3.484 1.00 13.12 H new ATOM 0 HD23 LEU A 80 11.581 -11.685 -4.940 1.00 13.12 H new ATOM 1254 N GLU A 81 11.433 -11.912 -7.155 1.00 74.51 N ATOM 1255 CA GLU A 81 9.999 -11.647 -7.162 1.00 11.14 C ATOM 1256 C GLU A 81 9.280 -12.515 -6.133 1.00 60.21 C ATOM 1257 O GLU A 81 9.356 -13.743 -6.179 1.00 22.12 O ATOM 1258 CB GLU A 81 9.417 -11.899 -8.554 1.00 63.32 C ATOM 1259 CG GLU A 81 9.515 -10.700 -9.481 1.00 51.53 C ATOM 1260 CD GLU A 81 9.029 -11.005 -10.885 1.00 33.54 C ATOM 1261 OE1 GLU A 81 8.061 -11.782 -11.022 1.00 14.04 O ATOM 1262 OE2 GLU A 81 9.617 -10.467 -11.846 1.00 60.51 O ATOM 0 H GLU A 81 11.679 -12.901 -7.191 1.00 74.51 H new ATOM 0 HA GLU A 81 9.848 -10.600 -6.898 1.00 11.14 H new ATOM 0 HB2 GLU A 81 9.937 -12.742 -9.009 1.00 63.32 H new ATOM 0 HB3 GLU A 81 8.370 -12.186 -8.454 1.00 63.32 H new ATOM 0 HG2 GLU A 81 8.930 -9.878 -9.069 1.00 51.53 H new ATOM 0 HG3 GLU A 81 10.551 -10.363 -9.524 1.00 51.53 H new ATOM 1269 N VAL A 82 8.582 -11.868 -5.205 1.00 62.11 N ATOM 1270 CA VAL A 82 7.849 -12.580 -4.165 1.00 51.21 C ATOM 1271 C VAL A 82 6.400 -12.814 -4.577 1.00 32.12 C ATOM 1272 O VAL A 82 5.597 -11.881 -4.617 1.00 31.40 O ATOM 1273 CB VAL A 82 7.874 -11.808 -2.832 1.00 60.04 C ATOM 1274 CG1 VAL A 82 7.618 -12.749 -1.665 1.00 74.12 C ATOM 1275 CG2 VAL A 82 9.200 -11.083 -2.662 1.00 25.11 C ATOM 0 H VAL A 82 8.509 -10.852 -5.152 1.00 62.11 H new ATOM 0 HA VAL A 82 8.345 -13.541 -4.029 1.00 51.21 H new ATOM 0 HB VAL A 82 7.078 -11.063 -2.848 1.00 60.04 H new ATOM 0 HG11 VAL A 82 7.639 -12.186 -0.732 1.00 74.12 H new ATOM 0 HG12 VAL A 82 6.641 -13.218 -1.783 1.00 74.12 H new ATOM 0 HG13 VAL A 82 8.390 -13.519 -1.642 1.00 74.12 H new ATOM 0 HG21 VAL A 82 9.201 -10.543 -1.715 1.00 25.11 H new ATOM 0 HG22 VAL A 82 10.014 -11.808 -2.667 1.00 25.11 H new ATOM 0 HG23 VAL A 82 9.337 -10.378 -3.482 1.00 25.11 H new ATOM 1285 N ILE A 83 6.072 -14.065 -4.881 1.00 61.33 N ATOM 1286 CA ILE A 83 4.719 -14.422 -5.288 1.00 72.43 C ATOM 1287 C ILE A 83 3.792 -14.528 -4.082 1.00 72.12 C ATOM 1288 O ILE A 83 3.987 -15.373 -3.208 1.00 13.52 O ATOM 1289 CB ILE A 83 4.696 -15.756 -6.058 1.00 31.43 C ATOM 1290 CG1 ILE A 83 5.783 -15.768 -7.134 1.00 25.32 C ATOM 1291 CG2 ILE A 83 3.326 -15.986 -6.679 1.00 22.34 C ATOM 1292 CD1 ILE A 83 7.054 -16.466 -6.701 1.00 41.21 C ATOM 0 H ILE A 83 6.725 -14.848 -4.853 1.00 61.33 H new ATOM 0 HA ILE A 83 4.367 -13.627 -5.945 1.00 72.43 H new ATOM 0 HB ILE A 83 4.896 -16.566 -5.357 1.00 31.43 H new ATOM 0 HG12 ILE A 83 5.394 -16.259 -8.026 1.00 25.32 H new ATOM 0 HG13 ILE A 83 6.019 -14.741 -7.412 1.00 25.32 H new ATOM 0 HG21 ILE A 83 3.326 -16.932 -7.220 1.00 22.34 H new ATOM 0 HG22 ILE A 83 2.571 -16.017 -5.893 1.00 22.34 H new ATOM 0 HG23 ILE A 83 3.098 -15.174 -7.369 1.00 22.34 H new ATOM 0 HD11 ILE A 83 7.780 -16.436 -7.513 1.00 41.21 H new ATOM 0 HD12 ILE A 83 7.466 -15.962 -5.827 1.00 41.21 H new ATOM 0 HD13 ILE A 83 6.832 -17.503 -6.450 1.00 41.21 H new ATOM 1304 N VAL A 84 2.781 -13.666 -4.042 1.00 73.04 N ATOM 1305 CA VAL A 84 1.821 -13.664 -2.945 1.00 54.21 C ATOM 1306 C VAL A 84 0.389 -13.711 -3.467 1.00 41.44 C ATOM 1307 O VAL A 84 0.077 -13.128 -4.506 1.00 61.53 O ATOM 1308 CB VAL A 84 1.990 -12.419 -2.054 1.00 32.23 C ATOM 1309 CG1 VAL A 84 3.314 -12.473 -1.307 1.00 41.23 C ATOM 1310 CG2 VAL A 84 1.889 -11.150 -2.887 1.00 31.24 C ATOM 0 H VAL A 84 2.606 -12.960 -4.757 1.00 73.04 H new ATOM 0 HA VAL A 84 2.017 -14.557 -2.351 1.00 54.21 H new ATOM 0 HB VAL A 84 1.186 -12.408 -1.318 1.00 32.23 H new ATOM 0 HG11 VAL A 84 3.416 -11.585 -0.683 1.00 41.23 H new ATOM 0 HG12 VAL A 84 3.341 -13.363 -0.679 1.00 41.23 H new ATOM 0 HG13 VAL A 84 4.135 -12.509 -2.023 1.00 41.23 H new ATOM 0 HG21 VAL A 84 2.011 -10.280 -2.241 1.00 31.24 H new ATOM 0 HG22 VAL A 84 2.671 -11.150 -3.647 1.00 31.24 H new ATOM 0 HG23 VAL A 84 0.913 -11.109 -3.371 1.00 31.24 H new ATOM 1320 N ASP A 85 -0.478 -14.407 -2.740 1.00 4.51 N ATOM 1321 CA ASP A 85 -1.878 -14.528 -3.129 1.00 21.35 C ATOM 1322 C ASP A 85 -2.781 -13.796 -2.141 1.00 54.14 C ATOM 1323 O ASP A 85 -3.927 -14.190 -1.923 1.00 20.31 O ATOM 1324 CB ASP A 85 -2.280 -16.002 -3.211 1.00 12.32 C ATOM 1325 CG ASP A 85 -3.058 -16.320 -4.473 1.00 10.24 C ATOM 1326 OD1 ASP A 85 -2.503 -16.131 -5.576 1.00 12.34 O ATOM 1327 OD2 ASP A 85 -4.221 -16.759 -4.357 1.00 52.32 O ATOM 0 H ASP A 85 -0.236 -14.896 -1.878 1.00 4.51 H new ATOM 0 HA ASP A 85 -1.998 -14.071 -4.111 1.00 21.35 H new ATOM 0 HB2 ASP A 85 -1.385 -16.623 -3.173 1.00 12.32 H new ATOM 0 HB3 ASP A 85 -2.883 -16.260 -2.341 1.00 12.32 H new ATOM 1332 N ARG A 86 -2.258 -12.729 -1.547 1.00 43.44 N ATOM 1333 CA ARG A 86 -3.016 -11.943 -0.582 1.00 12.43 C ATOM 1334 C ARG A 86 -2.123 -10.912 0.102 1.00 43.54 C ATOM 1335 O ARG A 86 -1.543 -11.160 1.159 1.00 12.42 O ATOM 1336 CB ARG A 86 -3.651 -12.858 0.467 1.00 62.01 C ATOM 1337 CG ARG A 86 -5.166 -12.932 0.374 1.00 71.24 C ATOM 1338 CD ARG A 86 -5.689 -14.274 0.861 1.00 32.15 C ATOM 1339 NE ARG A 86 -7.134 -14.394 0.689 1.00 15.30 N ATOM 1340 CZ ARG A 86 -8.020 -13.771 1.459 1.00 74.34 C ATOM 1341 NH1 ARG A 86 -7.611 -12.989 2.448 1.00 63.41 N ATOM 1342 NH2 ARG A 86 -9.319 -13.930 1.239 1.00 53.01 N ATOM 0 H ARG A 86 -1.312 -12.389 -1.717 1.00 43.44 H new ATOM 0 HA ARG A 86 -3.804 -11.416 -1.120 1.00 12.43 H new ATOM 0 HB2 ARG A 86 -3.239 -13.861 0.358 1.00 62.01 H new ATOM 0 HB3 ARG A 86 -3.373 -12.505 1.460 1.00 62.01 H new ATOM 0 HG2 ARG A 86 -5.608 -12.131 0.967 1.00 71.24 H new ATOM 0 HG3 ARG A 86 -5.476 -12.772 -0.659 1.00 71.24 H new ATOM 0 HD2 ARG A 86 -5.191 -15.076 0.316 1.00 32.15 H new ATOM 0 HD3 ARG A 86 -5.438 -14.400 1.914 1.00 32.15 H new ATOM 0 HE ARG A 86 -7.482 -14.988 -0.063 1.00 15.30 H new ATOM 0 HH11 ARG A 86 -6.613 -12.864 2.620 1.00 63.41 H new ATOM 0 HH12 ARG A 86 -8.294 -12.512 3.037 1.00 63.41 H new ATOM 0 HH21 ARG A 86 -9.638 -14.531 0.479 1.00 53.01 H new ATOM 0 HH22 ARG A 86 -9.999 -13.452 1.830 1.00 53.01 H new ATOM 1356 N PRO A 87 -2.007 -9.726 -0.516 1.00 30.51 N ATOM 1357 CA PRO A 87 -2.692 -9.420 -1.775 1.00 64.04 C ATOM 1358 C PRO A 87 -2.116 -10.200 -2.953 1.00 33.04 C ATOM 1359 O PRO A 87 -0.942 -10.572 -2.950 1.00 31.35 O ATOM 1360 CB PRO A 87 -2.446 -7.920 -1.957 1.00 31.03 C ATOM 1361 CG PRO A 87 -1.192 -7.647 -1.200 1.00 71.21 C ATOM 1362 CD PRO A 87 -1.199 -8.595 -0.032 1.00 44.44 C ATOM 0 HA PRO A 87 -3.747 -9.693 -1.742 1.00 64.04 H new ATOM 0 HB2 PRO A 87 -2.337 -7.662 -3.010 1.00 31.03 H new ATOM 0 HB3 PRO A 87 -3.278 -7.332 -1.569 1.00 31.03 H new ATOM 0 HG2 PRO A 87 -0.315 -7.807 -1.827 1.00 71.21 H new ATOM 0 HG3 PRO A 87 -1.158 -6.611 -0.862 1.00 71.21 H new ATOM 0 HD2 PRO A 87 -0.190 -8.908 0.238 1.00 44.44 H new ATOM 0 HD3 PRO A 87 -1.638 -8.137 0.854 1.00 44.44 H new ATOM 1370 N LEU A 88 -2.949 -10.444 -3.958 1.00 72.12 N ATOM 1371 CA LEU A 88 -2.523 -11.180 -5.143 1.00 41.05 C ATOM 1372 C LEU A 88 -1.640 -10.312 -6.035 1.00 30.42 C ATOM 1373 O LEU A 88 -2.137 -9.487 -6.801 1.00 23.22 O ATOM 1374 CB LEU A 88 -3.740 -11.667 -5.931 1.00 55.31 C ATOM 1375 CG LEU A 88 -4.036 -13.165 -5.852 1.00 12.23 C ATOM 1376 CD1 LEU A 88 -4.926 -13.471 -4.657 1.00 2.32 C ATOM 1377 CD2 LEU A 88 -4.685 -13.649 -7.140 1.00 72.40 C ATOM 0 H LEU A 88 -3.923 -10.143 -3.976 1.00 72.12 H new ATOM 0 HA LEU A 88 -1.942 -12.042 -4.815 1.00 41.05 H new ATOM 0 HB2 LEU A 88 -4.617 -11.125 -5.578 1.00 55.31 H new ATOM 0 HB3 LEU A 88 -3.600 -11.399 -6.978 1.00 55.31 H new ATOM 0 HG LEU A 88 -3.093 -13.696 -5.722 1.00 12.23 H new ATOM 0 HD11 LEU A 88 -5.126 -14.542 -4.617 1.00 2.32 H new ATOM 0 HD12 LEU A 88 -4.424 -13.161 -3.741 1.00 2.32 H new ATOM 0 HD13 LEU A 88 -5.867 -12.930 -4.756 1.00 2.32 H new ATOM 0 HD21 LEU A 88 -4.889 -14.717 -7.066 1.00 72.40 H new ATOM 0 HD22 LEU A 88 -5.620 -13.112 -7.301 1.00 72.40 H new ATOM 0 HD23 LEU A 88 -4.012 -13.465 -7.978 1.00 72.40 H new ATOM 1389 N GLN A 89 -0.329 -10.507 -5.930 1.00 34.00 N ATOM 1390 CA GLN A 89 0.622 -9.743 -6.728 1.00 41.01 C ATOM 1391 C GLN A 89 2.055 -10.161 -6.415 1.00 31.31 C ATOM 1392 O GLN A 89 2.286 -11.169 -5.746 1.00 45.24 O ATOM 1393 CB GLN A 89 0.448 -8.245 -6.472 1.00 31.01 C ATOM 1394 CG GLN A 89 0.101 -7.451 -7.721 1.00 15.45 C ATOM 1395 CD GLN A 89 0.989 -7.797 -8.899 1.00 4.03 C ATOM 1396 OE1 GLN A 89 2.178 -7.206 -8.938 1.00 21.04 O flip ATOM 1397 NE2 GLN A 89 0.612 -8.587 -9.765 1.00 11.01 N flip ATOM 0 H GLN A 89 0.098 -11.187 -5.301 1.00 34.00 H new ATOM 0 HA GLN A 89 0.424 -9.950 -7.780 1.00 41.01 H new ATOM 0 HB2 GLN A 89 -0.337 -8.100 -5.730 1.00 31.01 H new ATOM 0 HB3 GLN A 89 1.369 -7.849 -6.044 1.00 31.01 H new ATOM 0 HG2 GLN A 89 -0.939 -7.638 -7.988 1.00 15.45 H new ATOM 0 HG3 GLN A 89 0.189 -6.386 -7.506 1.00 15.45 H new ATOM 0 HE21 GLN A 89 -0.310 -9.018 -9.695 1.00 11.01 H new ATOM 0 HE22 GLN A 89 1.221 -8.810 -10.552 1.00 11.01 H new ATOM 1406 N VAL A 90 3.014 -9.381 -6.903 1.00 1.12 N ATOM 1407 CA VAL A 90 4.425 -9.670 -6.674 1.00 52.23 C ATOM 1408 C VAL A 90 5.118 -8.505 -5.976 1.00 61.22 C ATOM 1409 O VAL A 90 4.745 -7.346 -6.159 1.00 74.41 O ATOM 1410 CB VAL A 90 5.157 -9.972 -7.995 1.00 40.43 C ATOM 1411 CG1 VAL A 90 6.585 -10.421 -7.724 1.00 75.50 C ATOM 1412 CG2 VAL A 90 4.401 -11.022 -8.795 1.00 1.00 C ATOM 0 H VAL A 90 2.840 -8.544 -7.459 1.00 1.12 H new ATOM 0 HA VAL A 90 4.468 -10.551 -6.034 1.00 52.23 H new ATOM 0 HB VAL A 90 5.196 -9.057 -8.586 1.00 40.43 H new ATOM 0 HG11 VAL A 90 7.086 -10.630 -8.669 1.00 75.50 H new ATOM 0 HG12 VAL A 90 7.120 -9.632 -7.196 1.00 75.50 H new ATOM 0 HG13 VAL A 90 6.573 -11.323 -7.113 1.00 75.50 H new ATOM 0 HG21 VAL A 90 4.932 -11.223 -9.725 1.00 1.00 H new ATOM 0 HG22 VAL A 90 4.328 -11.941 -8.213 1.00 1.00 H new ATOM 0 HG23 VAL A 90 3.400 -10.656 -9.021 1.00 1.00 H new ATOM 1422 N PHE A 91 6.131 -8.821 -5.176 1.00 13.35 N ATOM 1423 CA PHE A 91 6.877 -7.800 -4.449 1.00 22.33 C ATOM 1424 C PHE A 91 8.266 -7.610 -5.051 1.00 41.04 C ATOM 1425 O PHE A 91 9.001 -8.575 -5.264 1.00 33.22 O ATOM 1426 CB PHE A 91 6.998 -8.181 -2.972 1.00 34.42 C ATOM 1427 CG PHE A 91 5.674 -8.278 -2.268 1.00 4.33 C ATOM 1428 CD1 PHE A 91 4.704 -7.306 -2.452 1.00 41.15 C ATOM 1429 CD2 PHE A 91 5.400 -9.340 -1.422 1.00 25.23 C ATOM 1430 CE1 PHE A 91 3.486 -7.392 -1.805 1.00 40.22 C ATOM 1431 CE2 PHE A 91 4.184 -9.432 -0.772 1.00 11.41 C ATOM 1432 CZ PHE A 91 3.225 -8.457 -0.965 1.00 1.41 C ATOM 0 H PHE A 91 6.454 -9.775 -5.015 1.00 13.35 H new ATOM 0 HA PHE A 91 6.332 -6.860 -4.531 1.00 22.33 H new ATOM 0 HB2 PHE A 91 7.514 -9.138 -2.893 1.00 34.42 H new ATOM 0 HB3 PHE A 91 7.618 -7.442 -2.464 1.00 34.42 H new ATOM 0 HD1 PHE A 91 4.902 -6.472 -3.109 1.00 41.15 H new ATOM 0 HD2 PHE A 91 6.146 -10.106 -1.268 1.00 25.23 H new ATOM 0 HE1 PHE A 91 2.739 -6.627 -1.956 1.00 40.22 H new ATOM 0 HE2 PHE A 91 3.984 -10.265 -0.114 1.00 11.41 H new ATOM 0 HZ PHE A 91 2.273 -8.527 -0.460 1.00 1.41 H new ATOM 1442 N HIS A 92 8.619 -6.358 -5.325 1.00 62.03 N ATOM 1443 CA HIS A 92 9.920 -6.040 -5.904 1.00 11.23 C ATOM 1444 C HIS A 92 11.031 -6.222 -4.875 1.00 4.14 C ATOM 1445 O HIS A 92 11.075 -5.522 -3.863 1.00 22.35 O ATOM 1446 CB HIS A 92 9.929 -4.605 -6.433 1.00 30.40 C ATOM 1447 CG HIS A 92 10.784 -4.421 -7.649 1.00 11.02 C ATOM 1448 ND1 HIS A 92 11.637 -3.350 -7.814 1.00 21.34 N ATOM 1449 CD2 HIS A 92 10.915 -5.180 -8.762 1.00 43.41 C ATOM 1450 CE1 HIS A 92 12.255 -3.457 -8.976 1.00 71.34 C ATOM 1451 NE2 HIS A 92 11.835 -4.559 -9.571 1.00 71.24 N ATOM 0 H HIS A 92 8.023 -5.548 -5.156 1.00 62.03 H new ATOM 0 HA HIS A 92 10.100 -6.726 -6.732 1.00 11.23 H new ATOM 0 HB2 HIS A 92 8.907 -4.307 -6.669 1.00 30.40 H new ATOM 0 HB3 HIS A 92 10.282 -3.938 -5.646 1.00 30.40 H new ATOM 0 HD2 HIS A 92 10.394 -6.102 -8.974 1.00 43.41 H new ATOM 0 HE1 HIS A 92 12.980 -2.762 -9.372 1.00 71.34 H new ATOM 0 HE2 HIS A 92 12.144 -4.894 -10.483 1.00 71.24 H new ATOM 1459 N VAL A 93 11.928 -7.167 -5.140 1.00 10.22 N ATOM 1460 CA VAL A 93 13.040 -7.441 -4.237 1.00 53.23 C ATOM 1461 C VAL A 93 14.373 -7.379 -4.974 1.00 23.45 C ATOM 1462 O VAL A 93 14.564 -8.049 -5.988 1.00 40.43 O ATOM 1463 CB VAL A 93 12.896 -8.823 -3.573 1.00 12.11 C ATOM 1464 CG1 VAL A 93 14.099 -9.119 -2.691 1.00 31.43 C ATOM 1465 CG2 VAL A 93 11.605 -8.896 -2.771 1.00 22.31 C ATOM 0 H VAL A 93 11.906 -7.756 -5.973 1.00 10.22 H new ATOM 0 HA VAL A 93 13.019 -6.672 -3.465 1.00 53.23 H new ATOM 0 HB VAL A 93 12.854 -9.581 -4.355 1.00 12.11 H new ATOM 0 HG11 VAL A 93 13.980 -10.100 -2.230 1.00 31.43 H new ATOM 0 HG12 VAL A 93 15.005 -9.111 -3.297 1.00 31.43 H new ATOM 0 HG13 VAL A 93 14.176 -8.359 -1.913 1.00 31.43 H new ATOM 0 HG21 VAL A 93 11.519 -9.879 -2.308 1.00 22.31 H new ATOM 0 HG22 VAL A 93 11.614 -8.130 -1.996 1.00 22.31 H new ATOM 0 HG23 VAL A 93 10.755 -8.731 -3.434 1.00 22.31 H new ATOM 1475 N GLU A 94 15.293 -6.572 -4.454 1.00 61.14 N ATOM 1476 CA GLU A 94 16.610 -6.423 -5.064 1.00 34.54 C ATOM 1477 C GLU A 94 17.708 -6.476 -4.005 1.00 52.24 C ATOM 1478 O GLU A 94 17.793 -5.605 -3.139 1.00 41.14 O ATOM 1479 CB GLU A 94 16.693 -5.105 -5.836 1.00 32.21 C ATOM 1480 CG GLU A 94 15.799 -5.062 -7.064 1.00 10.21 C ATOM 1481 CD GLU A 94 16.253 -4.031 -8.080 1.00 34.25 C ATOM 1482 OE1 GLU A 94 17.388 -3.528 -7.948 1.00 54.52 O ATOM 1483 OE2 GLU A 94 15.472 -3.729 -9.006 1.00 52.22 O ATOM 0 H GLU A 94 15.151 -6.012 -3.613 1.00 61.14 H new ATOM 0 HA GLU A 94 16.757 -7.251 -5.758 1.00 34.54 H new ATOM 0 HB2 GLU A 94 16.421 -4.286 -5.170 1.00 32.21 H new ATOM 0 HB3 GLU A 94 17.726 -4.938 -6.143 1.00 32.21 H new ATOM 0 HG2 GLU A 94 15.784 -6.046 -7.532 1.00 10.21 H new ATOM 0 HG3 GLU A 94 14.777 -4.839 -6.757 1.00 10.21 H new ATOM 1490 N VAL A 95 18.546 -7.504 -4.082 1.00 25.43 N ATOM 1491 CA VAL A 95 19.640 -7.671 -3.132 1.00 31.32 C ATOM 1492 C VAL A 95 20.990 -7.436 -3.801 1.00 34.15 C ATOM 1493 O VAL A 95 21.271 -7.989 -4.863 1.00 52.54 O ATOM 1494 CB VAL A 95 19.628 -9.078 -2.504 1.00 44.13 C ATOM 1495 CG1 VAL A 95 18.378 -9.277 -1.661 1.00 51.44 C ATOM 1496 CG2 VAL A 95 19.728 -10.144 -3.585 1.00 53.21 C ATOM 0 H VAL A 95 18.489 -8.234 -4.792 1.00 25.43 H new ATOM 0 HA VAL A 95 19.493 -6.929 -2.347 1.00 31.32 H new ATOM 0 HB VAL A 95 20.495 -9.173 -1.851 1.00 44.13 H new ATOM 0 HG11 VAL A 95 18.388 -10.276 -1.226 1.00 51.44 H new ATOM 0 HG12 VAL A 95 18.355 -8.534 -0.863 1.00 51.44 H new ATOM 0 HG13 VAL A 95 17.494 -9.163 -2.288 1.00 51.44 H new ATOM 0 HG21 VAL A 95 19.718 -11.132 -3.124 1.00 53.21 H new ATOM 0 HG22 VAL A 95 18.881 -10.053 -4.265 1.00 53.21 H new ATOM 0 HG23 VAL A 95 20.656 -10.012 -4.141 1.00 53.21 H new ATOM 1506 N GLU A 96 21.821 -6.613 -3.170 1.00 0.33 N ATOM 1507 CA GLU A 96 23.142 -6.304 -3.705 1.00 31.32 C ATOM 1508 C GLU A 96 24.225 -7.081 -2.962 1.00 31.42 C ATOM 1509 O GLU A 96 24.073 -7.408 -1.785 1.00 25.04 O ATOM 1510 CB GLU A 96 23.418 -4.803 -3.607 1.00 44.41 C ATOM 1511 CG GLU A 96 23.905 -4.187 -4.908 1.00 63.43 C ATOM 1512 CD GLU A 96 24.991 -3.151 -4.693 1.00 61.02 C ATOM 1513 OE1 GLU A 96 26.151 -3.547 -4.453 1.00 13.21 O ATOM 1514 OE2 GLU A 96 24.680 -1.943 -4.766 1.00 25.52 O ATOM 0 H GLU A 96 21.603 -6.148 -2.288 1.00 0.33 H new ATOM 0 HA GLU A 96 23.160 -6.601 -4.753 1.00 31.32 H new ATOM 0 HB2 GLU A 96 22.507 -4.294 -3.293 1.00 44.41 H new ATOM 0 HB3 GLU A 96 24.164 -4.629 -2.831 1.00 44.41 H new ATOM 0 HG2 GLU A 96 24.284 -4.975 -5.559 1.00 63.43 H new ATOM 0 HG3 GLU A 96 23.064 -3.724 -5.424 1.00 63.43 H new ATOM 1521 N VAL A 97 25.318 -7.375 -3.659 1.00 2.32 N ATOM 1522 CA VAL A 97 26.427 -8.113 -3.066 1.00 44.44 C ATOM 1523 C VAL A 97 27.537 -7.169 -2.615 1.00 55.01 C ATOM 1524 O VAL A 97 28.110 -6.437 -3.422 1.00 74.35 O ATOM 1525 CB VAL A 97 27.012 -9.138 -4.056 1.00 52.12 C ATOM 1526 CG1 VAL A 97 26.114 -10.362 -4.149 1.00 61.31 C ATOM 1527 CG2 VAL A 97 27.207 -8.504 -5.425 1.00 72.55 C ATOM 0 H VAL A 97 25.459 -7.113 -4.635 1.00 2.32 H new ATOM 0 HA VAL A 97 26.028 -8.641 -2.200 1.00 44.44 H new ATOM 0 HB VAL A 97 27.986 -9.459 -3.688 1.00 52.12 H new ATOM 0 HG11 VAL A 97 26.543 -11.075 -4.853 1.00 61.31 H new ATOM 0 HG12 VAL A 97 26.030 -10.827 -3.167 1.00 61.31 H new ATOM 0 HG13 VAL A 97 25.125 -10.062 -4.494 1.00 61.31 H new ATOM 0 HG21 VAL A 97 27.621 -9.242 -6.112 1.00 72.55 H new ATOM 0 HG22 VAL A 97 26.247 -8.154 -5.804 1.00 72.55 H new ATOM 0 HG23 VAL A 97 27.893 -7.661 -5.341 1.00 72.55 H new ATOM 1537 N ARG A 98 27.835 -7.191 -1.320 1.00 75.52 N ATOM 1538 CA ARG A 98 28.875 -6.337 -0.761 1.00 21.13 C ATOM 1539 C ARG A 98 30.249 -6.984 -0.910 1.00 73.54 C ATOM 1540 O ARG A 98 30.540 -8.000 -0.278 1.00 12.22 O ATOM 1541 CB ARG A 98 28.592 -6.052 0.715 1.00 32.13 C ATOM 1542 CG ARG A 98 28.412 -4.575 1.027 1.00 64.40 C ATOM 1543 CD ARG A 98 28.863 -4.246 2.442 1.00 54.14 C ATOM 1544 NE ARG A 98 27.780 -3.683 3.244 1.00 54.25 N ATOM 1545 CZ ARG A 98 26.820 -4.414 3.799 1.00 31.12 C ATOM 1546 NH1 ARG A 98 26.809 -5.730 3.641 1.00 22.43 N ATOM 1547 NH2 ARG A 98 25.868 -3.829 4.515 1.00 4.42 N ATOM 0 H ARG A 98 27.371 -7.791 -0.638 1.00 75.52 H new ATOM 0 HA ARG A 98 28.873 -5.397 -1.313 1.00 21.13 H new ATOM 0 HB2 ARG A 98 27.692 -6.590 1.014 1.00 32.13 H new ATOM 0 HB3 ARG A 98 29.413 -6.444 1.316 1.00 32.13 H new ATOM 0 HG2 ARG A 98 28.982 -3.979 0.314 1.00 64.40 H new ATOM 0 HG3 ARG A 98 27.364 -4.301 0.905 1.00 64.40 H new ATOM 0 HD2 ARG A 98 29.238 -5.150 2.922 1.00 54.14 H new ATOM 0 HD3 ARG A 98 29.691 -3.538 2.403 1.00 54.14 H new ATOM 0 HE ARG A 98 27.760 -2.673 3.386 1.00 54.25 H new ATOM 0 HH11 ARG A 98 27.539 -6.184 3.092 1.00 22.43 H new ATOM 0 HH12 ARG A 98 26.070 -6.289 4.068 1.00 22.43 H new ATOM 0 HH21 ARG A 98 25.873 -2.817 4.640 1.00 4.42 H new ATOM 0 HH22 ARG A 98 25.131 -4.392 4.941 1.00 4.42 H new ATOM 1561 N ASP A 99 31.088 -6.390 -1.751 1.00 63.51 N ATOM 1562 CA ASP A 99 32.432 -6.908 -1.984 1.00 34.53 C ATOM 1563 C ASP A 99 33.182 -6.041 -2.990 1.00 74.40 C ATOM 1564 O ASP A 99 32.676 -5.009 -3.433 1.00 25.33 O ATOM 1565 CB ASP A 99 32.365 -8.352 -2.485 1.00 51.23 C ATOM 1566 CG ASP A 99 31.370 -8.527 -3.616 1.00 2.51 C ATOM 1567 OD1 ASP A 99 30.159 -8.637 -3.330 1.00 4.03 O ATOM 1568 OD2 ASP A 99 31.802 -8.552 -4.787 1.00 43.11 O ATOM 0 H ASP A 99 30.862 -5.550 -2.283 1.00 63.51 H new ATOM 0 HA ASP A 99 32.973 -6.885 -1.038 1.00 34.53 H new ATOM 0 HB2 ASP A 99 33.354 -8.662 -2.823 1.00 51.23 H new ATOM 0 HB3 ASP A 99 32.091 -9.008 -1.659 1.00 51.23 H new ATOM 1573 N ILE A 100 34.389 -6.467 -3.346 1.00 1.22 N ATOM 1574 CA ILE A 100 35.208 -5.729 -4.299 1.00 61.15 C ATOM 1575 C ILE A 100 35.632 -6.618 -5.463 1.00 64.43 C ATOM 1576 O ILE A 100 35.679 -7.841 -5.338 1.00 63.30 O ATOM 1577 CB ILE A 100 36.466 -5.146 -3.629 1.00 12.13 C ATOM 1578 CG1 ILE A 100 36.107 -4.517 -2.281 1.00 34.32 C ATOM 1579 CG2 ILE A 100 37.124 -4.120 -4.539 1.00 63.10 C ATOM 1580 CD1 ILE A 100 35.095 -3.398 -2.387 1.00 12.23 C ATOM 0 H ILE A 100 34.821 -7.319 -2.989 1.00 1.22 H new ATOM 0 HA ILE A 100 34.594 -4.910 -4.674 1.00 61.15 H new ATOM 0 HB ILE A 100 37.175 -5.956 -3.454 1.00 12.13 H new ATOM 0 HG12 ILE A 100 35.714 -5.291 -1.622 1.00 34.32 H new ATOM 0 HG13 ILE A 100 37.014 -4.132 -1.815 1.00 34.32 H new ATOM 0 HG21 ILE A 100 38.012 -3.717 -4.051 1.00 63.10 H new ATOM 0 HG22 ILE A 100 37.410 -4.596 -5.477 1.00 63.10 H new ATOM 0 HG23 ILE A 100 36.423 -3.311 -4.742 1.00 63.10 H new ATOM 0 HD11 ILE A 100 34.888 -2.999 -1.394 1.00 12.23 H new ATOM 0 HD12 ILE A 100 35.494 -2.606 -3.020 1.00 12.23 H new ATOM 0 HD13 ILE A 100 34.173 -3.782 -2.823 1.00 12.23 H new ATOM 1592 N ASN A 101 35.942 -5.995 -6.595 1.00 42.42 N ATOM 1593 CA ASN A 101 36.364 -6.730 -7.782 1.00 44.51 C ATOM 1594 C ASN A 101 37.770 -7.293 -7.601 1.00 65.42 C ATOM 1595 O ASN A 101 38.004 -8.484 -7.808 1.00 20.43 O ATOM 1596 CB ASN A 101 36.322 -5.821 -9.012 1.00 53.32 C ATOM 1597 CG ASN A 101 37.088 -6.400 -10.186 1.00 10.32 C ATOM 1598 OD1 ASN A 101 36.874 -7.548 -10.576 1.00 11.35 O ATOM 1599 ND2 ASN A 101 37.987 -5.605 -10.755 1.00 22.41 N ATOM 0 H ASN A 101 35.909 -4.983 -6.716 1.00 42.42 H new ATOM 0 HA ASN A 101 35.674 -7.561 -7.929 1.00 44.51 H new ATOM 0 HB2 ASN A 101 35.285 -5.657 -9.304 1.00 53.32 H new ATOM 0 HB3 ASN A 101 36.738 -4.847 -8.755 1.00 53.32 H new ATOM 0 HD21 ASN A 101 38.533 -5.939 -11.549 1.00 22.41 H new ATOM 0 HD22 ASN A 101 38.131 -4.660 -10.398 1.00 22.41 H new ATOM 1606 N ASP A 102 38.703 -6.430 -7.214 1.00 33.01 N ATOM 1607 CA ASP A 102 40.086 -6.842 -7.003 1.00 52.41 C ATOM 1608 C ASP A 102 40.414 -6.903 -5.515 1.00 34.25 C ATOM 1609 O ASP A 102 41.561 -6.715 -5.114 1.00 2.25 O ATOM 1610 CB ASP A 102 41.040 -5.877 -7.709 1.00 25.32 C ATOM 1611 CG ASP A 102 42.289 -6.569 -8.219 1.00 44.11 C ATOM 1612 OD1 ASP A 102 42.570 -7.698 -7.765 1.00 13.53 O ATOM 1613 OD2 ASP A 102 42.987 -5.981 -9.072 1.00 71.03 O ATOM 0 H ASP A 102 38.527 -5.441 -7.040 1.00 33.01 H new ATOM 0 HA ASP A 102 40.211 -7.839 -7.425 1.00 52.41 H new ATOM 0 HB2 ASP A 102 40.523 -5.405 -8.544 1.00 25.32 H new ATOM 0 HB3 ASP A 102 41.324 -5.082 -7.020 1.00 25.32 H new ATOM 1618 N ASN A 103 39.397 -7.167 -4.700 1.00 71.33 N ATOM 1619 CA ASN A 103 39.577 -7.252 -3.256 1.00 13.25 C ATOM 1620 C ASN A 103 40.261 -5.998 -2.718 1.00 71.52 C ATOM 1621 O ASN A 103 39.684 -5.257 -1.923 1.00 72.30 O ATOM 1622 CB ASN A 103 40.400 -8.490 -2.895 1.00 32.13 C ATOM 1623 CG ASN A 103 39.631 -9.460 -2.019 1.00 71.50 C ATOM 1624 OD1 ASN A 103 40.093 -9.844 -0.944 1.00 60.34 O ATOM 1625 ND2 ASN A 103 38.451 -9.862 -2.476 1.00 74.22 N ATOM 0 H ASN A 103 38.440 -7.326 -5.016 1.00 71.33 H new ATOM 0 HA ASN A 103 38.592 -7.333 -2.797 1.00 13.25 H new ATOM 0 HB2 ASN A 103 40.709 -8.997 -3.809 1.00 32.13 H new ATOM 0 HB3 ASN A 103 41.309 -8.181 -2.379 1.00 32.13 H new ATOM 0 HD21 ASN A 103 37.888 -10.515 -1.931 1.00 74.22 H new ATOM 0 HD22 ASN A 103 38.107 -9.518 -3.373 1.00 74.22 H new TER 1632 ASN A 103