USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 623 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 63 THR OG1 : rot -145:sc= -1.74! USER MOD Set 1.2: A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 30:sc= 0.802 USER MOD Single : A 5 THR OG1 : rot 65:sc= 0.164 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0.155 X(o=0.15,f=-0.16) USER MOD Single : A 13 LYS NZ :NH3+ 145:sc= 0.75 (180deg=-0.693) USER MOD Single : A 16 THR OG1 : rot 180:sc=0.000114 USER MOD Single : A 18 LYS NZ :NH3+ -171:sc=-0.00439 (180deg=-0.0872) USER MOD Single : A 20 ASN : amide:sc= -0.165 K(o=-0.16,f=-7.1!) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 GLN : amide:sc= 0.399 X(o=0.4,f=-0.054) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.771 K(o=-0.77,f=-0.16) USER MOD Single : A 33 GLN : amide:sc= -1.03! C(o=-1!,f=-11!) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 38 LYS NZ :NH3+ -166:sc= -0.0429 (180deg=-0.285) USER MOD Single : A 39 GLN : amide:sc= -0.43 X(o=-0.43,f=-0.59) USER MOD Single : A 42 SER OG : rot 45:sc= 0.109 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 30:sc=-0.00477 USER MOD Single : A 49 THR OG1 : rot 150:sc= -0.373 USER MOD Single : A 53 TYR OH : rot -144:sc= 1.22 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00755) USER MOD Single : A 66 LYS NZ :NH3+ -154:sc= 0.36 (180deg=0.132) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 ASN : amide:sc= 1.1 K(o=1.1,f=-0.26) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 79 ASN : amide:sc= -0.233 X(o=-0.23,f=0) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 35 N THR A 3 6.279 -19.321 -18.174 1.00 20.00 N ATOM 36 CA THR A 3 5.480 -18.927 -19.295 1.00 3.00 C ATOM 37 C THR A 3 4.628 -17.741 -18.845 1.00 52.00 C ATOM 38 O THR A 3 3.954 -17.811 -17.806 1.00 61.00 O ATOM 39 CB THR A 3 4.555 -20.077 -19.668 1.00 1.00 C ATOM 40 OG1 THR A 3 5.189 -21.315 -19.284 1.00 63.00 O ATOM 41 CG2 THR A 3 4.345 -20.108 -21.164 1.00 40.00 C ATOM 0 HA THR A 3 6.104 -18.666 -20.150 1.00 3.00 H new ATOM 0 HB THR A 3 3.598 -19.947 -19.163 1.00 1.00 H new ATOM 0 HG1 THR A 3 5.766 -21.160 -18.507 1.00 63.00 H new ATOM 0 HG21 THR A 3 3.682 -20.934 -21.421 1.00 40.00 H new ATOM 0 HG22 THR A 3 3.897 -19.169 -21.488 1.00 40.00 H new ATOM 0 HG23 THR A 3 5.304 -20.244 -21.663 1.00 40.00 H new ATOM 49 N ASP A 4 4.679 -16.680 -19.581 1.00 62.00 N ATOM 50 CA ASP A 4 4.014 -15.460 -19.182 1.00 50.00 C ATOM 51 C ASP A 4 2.546 -15.660 -19.444 1.00 45.00 C ATOM 52 O ASP A 4 2.168 -16.197 -20.480 1.00 2.00 O ATOM 53 CB ASP A 4 4.584 -14.310 -19.985 1.00 54.00 C ATOM 54 CG ASP A 4 4.440 -12.955 -19.346 1.00 62.00 C ATOM 55 OD1 ASP A 4 5.038 -12.739 -18.263 1.00 43.00 O ATOM 56 OD2 ASP A 4 3.883 -12.037 -19.985 1.00 10.00 O ATOM 0 H ASP A 4 5.175 -16.622 -20.470 1.00 62.00 H new ATOM 0 HA ASP A 4 4.164 -15.226 -18.128 1.00 50.00 H new ATOM 0 HB2 ASP A 4 5.642 -14.500 -20.163 1.00 54.00 H new ATOM 0 HB3 ASP A 4 4.095 -14.289 -20.959 1.00 54.00 H new ATOM 61 N THR A 5 1.729 -15.294 -18.540 1.00 65.00 N ATOM 62 CA THR A 5 0.342 -15.651 -18.653 1.00 43.00 C ATOM 63 C THR A 5 -0.556 -14.444 -18.477 1.00 31.00 C ATOM 64 O THR A 5 -0.324 -13.635 -17.629 1.00 61.00 O ATOM 65 CB THR A 5 0.006 -16.780 -17.645 1.00 54.00 C ATOM 66 OG1 THR A 5 0.844 -17.927 -17.894 1.00 44.00 O ATOM 67 CG2 THR A 5 -1.449 -17.197 -17.711 1.00 5.00 C ATOM 0 H THR A 5 1.976 -14.751 -17.712 1.00 65.00 H new ATOM 0 HA THR A 5 0.157 -16.028 -19.659 1.00 43.00 H new ATOM 0 HB THR A 5 0.193 -16.385 -16.646 1.00 54.00 H new ATOM 0 HG1 THR A 5 1.780 -17.692 -17.723 1.00 44.00 H new ATOM 0 HG21 THR A 5 -1.633 -17.990 -16.986 1.00 5.00 H new ATOM 0 HG22 THR A 5 -2.084 -16.341 -17.482 1.00 5.00 H new ATOM 0 HG23 THR A 5 -1.678 -17.561 -18.713 1.00 5.00 H new ATOM 75 N LEU A 6 -1.599 -14.343 -19.283 1.00 5.00 N ATOM 76 CA LEU A 6 -2.443 -13.172 -19.240 1.00 44.00 C ATOM 77 C LEU A 6 -3.312 -13.103 -17.988 1.00 24.00 C ATOM 78 O LEU A 6 -3.182 -13.916 -17.081 1.00 64.00 O ATOM 79 CB LEU A 6 -3.238 -12.975 -20.544 1.00 1.00 C ATOM 80 CG LEU A 6 -2.397 -12.620 -21.774 1.00 71.00 C ATOM 81 CD1 LEU A 6 -3.288 -12.376 -22.976 1.00 71.00 C ATOM 82 CD2 LEU A 6 -1.512 -11.397 -21.516 1.00 4.00 C ATOM 0 H LEU A 6 -1.875 -15.050 -19.965 1.00 5.00 H new ATOM 0 HA LEU A 6 -1.771 -12.317 -19.165 1.00 44.00 H new ATOM 0 HB2 LEU A 6 -3.792 -13.890 -20.754 1.00 1.00 H new ATOM 0 HB3 LEU A 6 -3.973 -12.186 -20.387 1.00 1.00 H new ATOM 0 HG LEU A 6 -1.745 -13.469 -21.982 1.00 71.00 H new ATOM 0 HD11 LEU A 6 -2.673 -12.125 -23.840 1.00 71.00 H new ATOM 0 HD12 LEU A 6 -3.865 -13.276 -23.190 1.00 71.00 H new ATOM 0 HD13 LEU A 6 -3.968 -11.551 -22.763 1.00 71.00 H new ATOM 0 HD21 LEU A 6 -0.930 -11.174 -22.410 1.00 4.00 H new ATOM 0 HD22 LEU A 6 -2.139 -10.540 -21.268 1.00 4.00 H new ATOM 0 HD23 LEU A 6 -0.837 -11.605 -20.686 1.00 4.00 H new ATOM 94 N GLU A 7 -4.227 -12.157 -17.985 1.00 51.00 N ATOM 95 CA GLU A 7 -4.969 -11.781 -16.830 1.00 53.00 C ATOM 96 C GLU A 7 -5.925 -12.890 -16.444 1.00 2.00 C ATOM 97 O GLU A 7 -6.288 -13.060 -15.285 1.00 61.00 O ATOM 98 CB GLU A 7 -5.766 -10.544 -17.211 1.00 21.00 C ATOM 99 CG GLU A 7 -6.361 -9.833 -16.040 1.00 62.00 C ATOM 100 CD GLU A 7 -5.313 -9.525 -14.994 1.00 2.00 C ATOM 101 OE1 GLU A 7 -4.147 -9.251 -15.359 1.00 53.00 O ATOM 102 OE2 GLU A 7 -5.623 -9.590 -13.800 1.00 63.00 O ATOM 0 H GLU A 7 -4.472 -11.621 -18.817 1.00 51.00 H new ATOM 0 HA GLU A 7 -4.306 -11.590 -15.986 1.00 53.00 H new ATOM 0 HB2 GLU A 7 -5.117 -9.856 -17.752 1.00 21.00 H new ATOM 0 HB3 GLU A 7 -6.564 -10.833 -17.895 1.00 21.00 H new ATOM 0 HG2 GLU A 7 -6.828 -8.906 -16.373 1.00 62.00 H new ATOM 0 HG3 GLU A 7 -7.147 -10.447 -15.600 1.00 62.00 H new ATOM 109 N TYR A 8 -6.302 -13.661 -17.472 1.00 4.00 N ATOM 110 CA TYR A 8 -7.300 -14.703 -17.443 1.00 60.00 C ATOM 111 C TYR A 8 -8.640 -14.308 -16.793 1.00 44.00 C ATOM 112 O TYR A 8 -9.491 -15.151 -16.530 1.00 25.00 O ATOM 113 CB TYR A 8 -6.776 -16.083 -16.978 1.00 21.00 C ATOM 114 CG TYR A 8 -6.207 -16.182 -15.583 1.00 2.00 C ATOM 115 CD1 TYR A 8 -7.039 -16.321 -14.494 1.00 21.00 C ATOM 116 CD2 TYR A 8 -4.836 -16.164 -15.363 1.00 62.00 C ATOM 117 CE1 TYR A 8 -6.535 -16.436 -13.227 1.00 42.00 C ATOM 118 CE2 TYR A 8 -4.321 -16.277 -14.089 1.00 24.00 C ATOM 119 CZ TYR A 8 -5.180 -16.412 -13.023 1.00 25.00 C ATOM 120 OH TYR A 8 -4.685 -16.535 -11.741 1.00 63.00 O ATOM 0 H TYR A 8 -5.884 -13.556 -18.397 1.00 4.00 H new ATOM 0 HA TYR A 8 -7.541 -14.833 -18.498 1.00 60.00 H new ATOM 0 HB2 TYR A 8 -7.595 -16.798 -17.058 1.00 21.00 H new ATOM 0 HB3 TYR A 8 -6.005 -16.403 -17.679 1.00 21.00 H new ATOM 0 HD1 TYR A 8 -8.109 -16.340 -14.643 1.00 21.00 H new ATOM 0 HD2 TYR A 8 -4.164 -16.060 -16.202 1.00 62.00 H new ATOM 0 HE1 TYR A 8 -7.205 -16.546 -12.387 1.00 42.00 H new ATOM 0 HE2 TYR A 8 -3.253 -16.260 -13.929 1.00 24.00 H new ATOM 0 HH TYR A 8 -3.706 -16.500 -11.764 1.00 63.00 H new ATOM 130 N GLN A 9 -8.852 -13.036 -16.647 1.00 43.00 N ATOM 131 CA GLN A 9 -10.010 -12.499 -16.013 1.00 63.00 C ATOM 132 C GLN A 9 -10.503 -11.438 -16.876 1.00 1.00 C ATOM 133 O GLN A 9 -10.109 -10.274 -16.777 1.00 62.00 O ATOM 134 CB GLN A 9 -9.695 -11.993 -14.620 1.00 75.00 C ATOM 135 CG GLN A 9 -9.271 -13.110 -13.722 1.00 11.00 C ATOM 136 CD GLN A 9 -8.725 -12.652 -12.396 1.00 12.00 C ATOM 137 OE1 GLN A 9 -9.125 -11.618 -11.850 1.00 53.00 O ATOM 138 NE2 GLN A 9 -7.785 -13.387 -11.884 1.00 4.00 N ATOM 0 H GLN A 9 -8.201 -12.323 -16.977 1.00 43.00 H new ATOM 0 HA GLN A 9 -10.772 -13.267 -15.880 1.00 63.00 H new ATOM 0 HB2 GLN A 9 -8.904 -11.245 -14.672 1.00 75.00 H new ATOM 0 HB3 GLN A 9 -10.573 -11.500 -14.202 1.00 75.00 H new ATOM 0 HG2 GLN A 9 -10.124 -13.765 -13.546 1.00 11.00 H new ATOM 0 HG3 GLN A 9 -8.512 -13.704 -14.231 1.00 11.00 H new ATOM 0 HE21 GLN A 9 -7.481 -14.234 -12.364 1.00 4.00 H new ATOM 0 HE22 GLN A 9 -7.350 -13.117 -11.002 1.00 4.00 H new ATOM 147 N CYS A 10 -11.252 -11.858 -17.798 1.00 54.00 N ATOM 148 CA CYS A 10 -11.729 -10.999 -18.803 1.00 55.00 C ATOM 149 C CYS A 10 -13.218 -10.917 -18.763 1.00 22.00 C ATOM 150 O CYS A 10 -13.880 -11.693 -18.053 1.00 41.00 O ATOM 151 CB CYS A 10 -11.260 -11.498 -20.135 1.00 74.00 C ATOM 152 SG CYS A 10 -9.470 -11.607 -20.307 1.00 63.00 S ATOM 0 H CYS A 10 -11.562 -12.826 -17.886 1.00 54.00 H new ATOM 0 HA CYS A 10 -11.339 -9.995 -18.636 1.00 55.00 H new ATOM 0 HB2 CYS A 10 -11.689 -12.484 -20.311 1.00 74.00 H new ATOM 0 HB3 CYS A 10 -11.647 -10.839 -20.912 1.00 74.00 H new ATOM 157 N ASP A 11 -13.740 -10.003 -19.527 1.00 61.00 N ATOM 158 CA ASP A 11 -15.160 -9.724 -19.574 1.00 43.00 C ATOM 159 C ASP A 11 -15.973 -10.863 -20.158 1.00 50.00 C ATOM 160 O ASP A 11 -17.060 -11.162 -19.682 1.00 52.00 O ATOM 161 CB ASP A 11 -15.397 -8.420 -20.339 1.00 35.00 C ATOM 162 CG ASP A 11 -16.836 -8.185 -20.726 1.00 44.00 C ATOM 163 OD1 ASP A 11 -17.644 -7.774 -19.875 1.00 23.00 O ATOM 164 OD2 ASP A 11 -17.176 -8.389 -21.895 1.00 30.00 O ATOM 0 H ASP A 11 -13.187 -9.415 -20.150 1.00 61.00 H new ATOM 0 HA ASP A 11 -15.509 -9.614 -18.547 1.00 43.00 H new ATOM 0 HB2 ASP A 11 -15.056 -7.585 -19.727 1.00 35.00 H new ATOM 0 HB3 ASP A 11 -14.786 -8.425 -21.241 1.00 35.00 H new ATOM 169 N GLU A 12 -15.446 -11.511 -21.155 1.00 22.00 N ATOM 170 CA GLU A 12 -16.203 -12.546 -21.829 1.00 5.00 C ATOM 171 C GLU A 12 -15.794 -13.922 -21.419 1.00 54.00 C ATOM 172 O GLU A 12 -16.628 -14.831 -21.320 1.00 23.00 O ATOM 173 CB GLU A 12 -16.029 -12.424 -23.302 1.00 64.00 C ATOM 174 CG GLU A 12 -16.346 -11.071 -23.812 1.00 25.00 C ATOM 175 CD GLU A 12 -16.119 -10.974 -25.266 1.00 43.00 C ATOM 176 OE1 GLU A 12 -17.024 -11.343 -26.049 1.00 74.00 O ATOM 177 OE2 GLU A 12 -15.042 -10.578 -25.649 1.00 44.00 O ATOM 0 H GLU A 12 -14.508 -11.351 -21.522 1.00 22.00 H new ATOM 0 HA GLU A 12 -17.245 -12.403 -21.544 1.00 5.00 H new ATOM 0 HB2 GLU A 12 -15.000 -12.673 -23.563 1.00 64.00 H new ATOM 0 HB3 GLU A 12 -16.669 -13.153 -23.799 1.00 64.00 H new ATOM 0 HG2 GLU A 12 -17.385 -10.831 -23.588 1.00 25.00 H new ATOM 0 HG3 GLU A 12 -15.731 -10.333 -23.297 1.00 25.00 H new ATOM 184 N LYS A 13 -14.537 -14.102 -21.163 1.00 24.00 N ATOM 185 CA LYS A 13 -14.050 -15.429 -20.907 1.00 25.00 C ATOM 186 C LYS A 13 -12.904 -15.319 -19.998 1.00 63.00 C ATOM 187 O LYS A 13 -12.398 -14.218 -19.792 1.00 43.00 O ATOM 188 CB LYS A 13 -13.453 -16.085 -22.175 1.00 2.00 C ATOM 189 CG LYS A 13 -14.121 -15.844 -23.510 1.00 32.00 C ATOM 190 CD LYS A 13 -13.746 -16.930 -24.552 1.00 35.00 C ATOM 191 CE LYS A 13 -12.231 -17.236 -24.661 1.00 70.00 C ATOM 192 NZ LYS A 13 -11.732 -18.162 -23.585 1.00 21.00 N ATOM 0 H LYS A 13 -13.835 -13.363 -21.125 1.00 24.00 H new ATOM 0 HA LYS A 13 -14.888 -16.011 -20.524 1.00 25.00 H new ATOM 0 HB2 LYS A 13 -12.418 -15.754 -22.261 1.00 2.00 H new ATOM 0 HB3 LYS A 13 -13.430 -17.162 -22.008 1.00 2.00 H new ATOM 0 HG2 LYS A 13 -15.203 -15.828 -23.376 1.00 32.00 H new ATOM 0 HG3 LYS A 13 -13.832 -14.863 -23.888 1.00 32.00 H new ATOM 0 HD2 LYS A 13 -14.270 -17.852 -24.299 1.00 35.00 H new ATOM 0 HD3 LYS A 13 -14.109 -16.615 -25.530 1.00 35.00 H new ATOM 0 HE2 LYS A 13 -12.026 -17.679 -25.636 1.00 70.00 H new ATOM 0 HE3 LYS A 13 -11.674 -16.300 -24.613 1.00 70.00 H new ATOM 0 HZ1 LYS A 13 -10.990 -18.778 -23.974 1.00 21.00 H new ATOM 0 HZ2 LYS A 13 -11.342 -17.603 -22.799 1.00 21.00 H new ATOM 0 HZ3 LYS A 13 -12.519 -18.746 -23.237 1.00 21.00 H new ATOM 206 N PRO A 14 -12.467 -16.410 -19.415 1.00 2.00 N ATOM 207 CA PRO A 14 -11.179 -16.426 -18.849 1.00 51.00 C ATOM 208 C PRO A 14 -10.194 -16.616 -20.019 1.00 63.00 C ATOM 209 O PRO A 14 -10.473 -17.392 -20.975 1.00 44.00 O ATOM 210 CB PRO A 14 -11.176 -17.627 -17.899 1.00 21.00 C ATOM 211 CG PRO A 14 -12.234 -18.540 -18.423 1.00 11.00 C ATOM 212 CD PRO A 14 -13.215 -17.679 -19.181 1.00 23.00 C ATOM 0 HA PRO A 14 -10.903 -15.523 -18.304 1.00 51.00 H new ATOM 0 HB2 PRO A 14 -10.203 -18.118 -17.887 1.00 21.00 H new ATOM 0 HB3 PRO A 14 -11.391 -17.320 -16.875 1.00 21.00 H new ATOM 0 HG2 PRO A 14 -11.802 -19.299 -19.075 1.00 11.00 H new ATOM 0 HG3 PRO A 14 -12.730 -19.065 -17.607 1.00 11.00 H new ATOM 0 HD2 PRO A 14 -13.515 -18.145 -20.119 1.00 23.00 H new ATOM 0 HD3 PRO A 14 -14.125 -17.507 -18.605 1.00 23.00 H new ATOM 220 N LEU A 15 -9.121 -15.901 -20.013 1.00 41.00 N ATOM 221 CA LEU A 15 -8.182 -16.007 -21.076 1.00 32.00 C ATOM 222 C LEU A 15 -6.828 -16.245 -20.533 1.00 62.00 C ATOM 223 O LEU A 15 -6.064 -15.308 -20.248 1.00 25.00 O ATOM 224 CB LEU A 15 -8.194 -14.798 -22.008 1.00 64.00 C ATOM 225 CG LEU A 15 -7.146 -14.830 -23.125 1.00 12.00 C ATOM 226 CD1 LEU A 15 -7.366 -16.023 -24.036 1.00 52.00 C ATOM 227 CD2 LEU A 15 -7.136 -13.547 -23.931 1.00 65.00 C ATOM 0 H LEU A 15 -8.872 -15.235 -19.282 1.00 41.00 H new ATOM 0 HA LEU A 15 -8.482 -16.860 -21.685 1.00 32.00 H new ATOM 0 HB2 LEU A 15 -9.182 -14.717 -22.460 1.00 64.00 H new ATOM 0 HB3 LEU A 15 -8.041 -13.898 -21.413 1.00 64.00 H new ATOM 0 HG LEU A 15 -6.171 -14.926 -22.647 1.00 12.00 H new ATOM 0 HD11 LEU A 15 -6.610 -16.025 -24.822 1.00 52.00 H new ATOM 0 HD12 LEU A 15 -7.289 -16.943 -23.456 1.00 52.00 H new ATOM 0 HD13 LEU A 15 -8.357 -15.959 -24.486 1.00 52.00 H new ATOM 0 HD21 LEU A 15 -6.378 -13.614 -24.712 1.00 65.00 H new ATOM 0 HD22 LEU A 15 -8.114 -13.396 -24.387 1.00 65.00 H new ATOM 0 HD23 LEU A 15 -6.908 -12.707 -23.275 1.00 65.00 H new ATOM 239 N THR A 16 -6.567 -17.460 -20.285 1.00 24.00 N ATOM 240 CA THR A 16 -5.311 -17.846 -19.829 1.00 23.00 C ATOM 241 C THR A 16 -4.466 -18.142 -21.058 1.00 71.00 C ATOM 242 O THR A 16 -4.850 -18.953 -21.910 1.00 50.00 O ATOM 243 CB THR A 16 -5.441 -19.083 -18.940 1.00 61.00 C ATOM 244 OG1 THR A 16 -6.688 -18.995 -18.223 1.00 53.00 O ATOM 245 CG2 THR A 16 -4.318 -19.095 -17.934 1.00 44.00 C ATOM 0 H THR A 16 -7.233 -18.224 -20.396 1.00 24.00 H new ATOM 0 HA THR A 16 -4.845 -17.063 -19.231 1.00 23.00 H new ATOM 0 HB THR A 16 -5.404 -19.985 -19.550 1.00 61.00 H new ATOM 0 HG1 THR A 16 -6.791 -19.782 -17.648 1.00 53.00 H new ATOM 0 HG21 THR A 16 -4.408 -19.976 -17.299 1.00 44.00 H new ATOM 0 HG22 THR A 16 -3.362 -19.121 -18.456 1.00 44.00 H new ATOM 0 HG23 THR A 16 -4.371 -18.197 -17.319 1.00 44.00 H new ATOM 253 N VAL A 17 -3.378 -17.441 -21.177 1.00 2.00 N ATOM 254 CA VAL A 17 -2.506 -17.550 -22.316 1.00 14.00 C ATOM 255 C VAL A 17 -1.160 -17.932 -21.871 1.00 44.00 C ATOM 256 O VAL A 17 -0.683 -17.426 -20.882 1.00 23.00 O ATOM 257 CB VAL A 17 -2.402 -16.203 -23.086 1.00 64.00 C ATOM 258 CG1 VAL A 17 -1.258 -16.218 -24.105 1.00 61.00 C ATOM 259 CG2 VAL A 17 -3.698 -15.918 -23.785 1.00 64.00 C ATOM 0 H VAL A 17 -3.064 -16.767 -20.478 1.00 2.00 H new ATOM 0 HA VAL A 17 -2.924 -18.306 -22.981 1.00 14.00 H new ATOM 0 HB VAL A 17 -2.191 -15.419 -22.359 1.00 64.00 H new ATOM 0 HG11 VAL A 17 -1.219 -15.259 -24.622 1.00 61.00 H new ATOM 0 HG12 VAL A 17 -0.314 -16.391 -23.589 1.00 61.00 H new ATOM 0 HG13 VAL A 17 -1.427 -17.014 -24.830 1.00 61.00 H new ATOM 0 HG21 VAL A 17 -3.621 -14.973 -24.323 1.00 64.00 H new ATOM 0 HG22 VAL A 17 -3.915 -16.721 -24.490 1.00 64.00 H new ATOM 0 HG23 VAL A 17 -4.501 -15.853 -23.051 1.00 64.00 H new ATOM 269 N LYS A 18 -0.557 -18.819 -22.584 1.00 34.00 N ATOM 270 CA LYS A 18 0.783 -19.148 -22.325 1.00 40.00 C ATOM 271 C LYS A 18 1.651 -18.440 -23.303 1.00 13.00 C ATOM 272 O LYS A 18 1.880 -18.932 -24.419 1.00 42.00 O ATOM 273 CB LYS A 18 1.062 -20.652 -22.352 1.00 33.00 C ATOM 274 CG LYS A 18 0.769 -21.362 -21.053 1.00 2.00 C ATOM 275 CD LYS A 18 -0.698 -21.443 -20.744 1.00 53.00 C ATOM 276 CE LYS A 18 -0.926 -21.899 -19.300 1.00 70.00 C ATOM 277 NZ LYS A 18 -0.234 -23.173 -18.966 1.00 24.00 N ATOM 0 H LYS A 18 -0.984 -19.329 -23.357 1.00 34.00 H new ATOM 0 HA LYS A 18 1.006 -18.826 -21.308 1.00 40.00 H new ATOM 0 HB2 LYS A 18 0.465 -21.106 -23.143 1.00 33.00 H new ATOM 0 HB3 LYS A 18 2.109 -20.811 -22.611 1.00 33.00 H new ATOM 0 HG2 LYS A 18 1.181 -22.370 -21.096 1.00 2.00 H new ATOM 0 HG3 LYS A 18 1.277 -20.844 -20.240 1.00 2.00 H new ATOM 0 HD2 LYS A 18 -1.161 -20.469 -20.900 1.00 53.00 H new ATOM 0 HD3 LYS A 18 -1.181 -22.139 -21.430 1.00 53.00 H new ATOM 0 HE2 LYS A 18 -0.581 -21.118 -18.622 1.00 70.00 H new ATOM 0 HE3 LYS A 18 -1.996 -22.020 -19.130 1.00 70.00 H new ATOM 0 HZ1 LYS A 18 -0.549 -23.504 -18.032 1.00 24.00 H new ATOM 0 HZ2 LYS A 18 -0.463 -23.891 -19.683 1.00 24.00 H new ATOM 0 HZ3 LYS A 18 0.794 -23.016 -18.949 1.00 24.00 H new ATOM 291 N LEU A 19 2.036 -17.261 -22.941 1.00 31.00 N ATOM 292 CA LEU A 19 2.976 -16.510 -23.685 1.00 2.00 C ATOM 293 C LEU A 19 4.284 -17.143 -23.440 1.00 3.00 C ATOM 294 O LEU A 19 4.848 -17.057 -22.346 1.00 3.00 O ATOM 295 CB LEU A 19 3.004 -15.055 -23.242 1.00 24.00 C ATOM 296 CG LEU A 19 1.917 -14.138 -23.793 1.00 11.00 C ATOM 297 CD1 LEU A 19 1.855 -12.858 -22.981 1.00 13.00 C ATOM 298 CD2 LEU A 19 2.225 -13.799 -25.242 1.00 61.00 C ATOM 0 H LEU A 19 1.696 -16.789 -22.103 1.00 31.00 H new ATOM 0 HA LEU A 19 2.716 -16.506 -24.744 1.00 2.00 H new ATOM 0 HB2 LEU A 19 2.946 -15.032 -22.154 1.00 24.00 H new ATOM 0 HB3 LEU A 19 3.972 -14.636 -23.518 1.00 24.00 H new ATOM 0 HG LEU A 19 0.956 -14.649 -23.730 1.00 11.00 H new ATOM 0 HD11 LEU A 19 1.076 -12.210 -23.382 1.00 13.00 H new ATOM 0 HD12 LEU A 19 1.629 -13.097 -21.942 1.00 13.00 H new ATOM 0 HD13 LEU A 19 2.816 -12.346 -23.035 1.00 13.00 H new ATOM 0 HD21 LEU A 19 1.448 -13.144 -25.635 1.00 61.00 H new ATOM 0 HD22 LEU A 19 3.189 -13.294 -25.301 1.00 61.00 H new ATOM 0 HD23 LEU A 19 2.259 -14.716 -25.831 1.00 61.00 H new ATOM 310 N ASN A 20 4.739 -17.820 -24.414 1.00 72.00 N ATOM 311 CA ASN A 20 5.979 -18.561 -24.276 1.00 70.00 C ATOM 312 C ASN A 20 7.104 -17.542 -24.244 1.00 14.00 C ATOM 313 O ASN A 20 6.984 -16.512 -24.863 1.00 61.00 O ATOM 314 CB ASN A 20 6.145 -19.538 -25.452 1.00 64.00 C ATOM 315 CG ASN A 20 7.211 -20.615 -25.231 1.00 20.00 C ATOM 316 OD1 ASN A 20 8.167 -20.428 -24.497 1.00 32.00 O ATOM 317 ND2 ASN A 20 7.056 -21.743 -25.881 1.00 32.00 N ATOM 0 H ASN A 20 4.291 -17.894 -25.328 1.00 72.00 H new ATOM 0 HA ASN A 20 5.985 -19.156 -23.363 1.00 70.00 H new ATOM 0 HB2 ASN A 20 5.188 -20.024 -25.643 1.00 64.00 H new ATOM 0 HB3 ASN A 20 6.399 -18.971 -26.347 1.00 64.00 H new ATOM 0 HD21 ASN A 20 7.744 -22.489 -25.779 1.00 32.00 H new ATOM 0 HD22 ASN A 20 6.247 -21.874 -26.489 1.00 32.00 H new ATOM 324 N ASN A 21 8.169 -17.830 -23.522 1.00 4.00 N ATOM 325 CA ASN A 21 9.245 -16.851 -23.260 1.00 14.00 C ATOM 326 C ASN A 21 9.847 -16.141 -24.504 1.00 23.00 C ATOM 327 O ASN A 21 10.059 -14.923 -24.451 1.00 63.00 O ATOM 328 CB ASN A 21 10.331 -17.381 -22.307 1.00 22.00 C ATOM 329 CG ASN A 21 9.810 -17.633 -20.895 1.00 4.00 C ATOM 330 OD1 ASN A 21 9.394 -18.750 -20.555 1.00 31.00 O ATOM 331 ND2 ASN A 21 9.792 -16.605 -20.076 1.00 72.00 N ATOM 0 H ASN A 21 8.327 -18.742 -23.094 1.00 4.00 H new ATOM 0 HA ASN A 21 8.715 -16.053 -22.740 1.00 14.00 H new ATOM 0 HB2 ASN A 21 10.739 -18.308 -22.709 1.00 22.00 H new ATOM 0 HB3 ASN A 21 11.151 -16.664 -22.264 1.00 22.00 H new ATOM 0 HD21 ASN A 21 9.428 -16.713 -19.129 1.00 72.00 H new ATOM 0 HD22 ASN A 21 10.142 -15.699 -20.387 1.00 72.00 H new ATOM 338 N PRO A 22 10.153 -16.846 -25.644 1.00 24.00 N ATOM 339 CA PRO A 22 10.623 -16.166 -26.879 1.00 65.00 C ATOM 340 C PRO A 22 9.505 -15.321 -27.520 1.00 13.00 C ATOM 341 O PRO A 22 9.757 -14.467 -28.374 1.00 72.00 O ATOM 342 CB PRO A 22 11.004 -17.322 -27.818 1.00 63.00 C ATOM 343 CG PRO A 22 11.130 -18.517 -26.938 1.00 61.00 C ATOM 344 CD PRO A 22 10.161 -18.311 -25.814 1.00 42.00 C ATOM 0 HA PRO A 22 11.446 -15.481 -26.676 1.00 65.00 H new ATOM 0 HB2 PRO A 22 10.242 -17.475 -28.583 1.00 63.00 H new ATOM 0 HB3 PRO A 22 11.940 -17.115 -28.337 1.00 63.00 H new ATOM 0 HG2 PRO A 22 10.901 -19.431 -27.487 1.00 61.00 H new ATOM 0 HG3 PRO A 22 12.148 -18.618 -26.561 1.00 61.00 H new ATOM 0 HD2 PRO A 22 9.171 -18.694 -26.060 1.00 42.00 H new ATOM 0 HD3 PRO A 22 10.483 -18.821 -24.906 1.00 42.00 H new ATOM 352 N ARG A 23 8.285 -15.581 -27.066 1.00 10.00 N ATOM 353 CA ARG A 23 7.047 -14.940 -27.500 1.00 25.00 C ATOM 354 C ARG A 23 6.807 -15.040 -28.958 1.00 4.00 C ATOM 355 O ARG A 23 6.705 -14.052 -29.686 1.00 43.00 O ATOM 356 CB ARG A 23 6.862 -13.538 -26.966 1.00 14.00 C ATOM 357 CG ARG A 23 6.885 -13.523 -25.467 1.00 32.00 C ATOM 358 CD ARG A 23 6.590 -12.153 -24.867 1.00 11.00 C ATOM 359 NE ARG A 23 7.009 -12.113 -23.455 1.00 73.00 N ATOM 360 CZ ARG A 23 6.236 -11.861 -22.385 1.00 42.00 C ATOM 361 NH1 ARG A 23 4.961 -11.539 -22.517 1.00 61.00 N ATOM 362 NH2 ARG A 23 6.765 -11.902 -21.172 1.00 32.00 N ATOM 0 H ARG A 23 8.123 -16.284 -26.345 1.00 10.00 H new ATOM 0 HA ARG A 23 6.258 -15.529 -27.032 1.00 25.00 H new ATOM 0 HB2 ARG A 23 7.651 -12.892 -27.351 1.00 14.00 H new ATOM 0 HB3 ARG A 23 5.915 -13.132 -27.322 1.00 14.00 H new ATOM 0 HG2 ARG A 23 6.153 -14.239 -25.093 1.00 32.00 H new ATOM 0 HG3 ARG A 23 7.864 -13.858 -25.123 1.00 32.00 H new ATOM 0 HD2 ARG A 23 7.114 -11.381 -25.431 1.00 11.00 H new ATOM 0 HD3 ARG A 23 5.524 -11.936 -24.944 1.00 11.00 H new ATOM 0 HE ARG A 23 7.995 -12.297 -23.269 1.00 73.00 H new ATOM 0 HH11 ARG A 23 4.544 -11.477 -23.446 1.00 61.00 H new ATOM 0 HH12 ARG A 23 4.394 -11.352 -21.690 1.00 61.00 H new ATOM 0 HH21 ARG A 23 7.754 -12.124 -21.054 1.00 32.00 H new ATOM 0 HH22 ARG A 23 6.184 -11.712 -20.356 1.00 32.00 H new ATOM 376 N GLN A 24 6.807 -16.242 -29.392 1.00 45.00 N ATOM 377 CA GLN A 24 6.475 -16.564 -30.711 1.00 1.00 C ATOM 378 C GLN A 24 5.213 -17.397 -30.702 1.00 14.00 C ATOM 379 O GLN A 24 4.620 -17.624 -31.744 1.00 51.00 O ATOM 380 CB GLN A 24 7.613 -17.296 -31.427 1.00 4.00 C ATOM 381 CG GLN A 24 8.904 -16.505 -31.575 1.00 72.00 C ATOM 382 CD GLN A 24 8.765 -15.310 -32.497 1.00 35.00 C ATOM 383 OE1 GLN A 24 8.966 -15.424 -33.706 1.00 24.00 O ATOM 384 NE2 GLN A 24 8.435 -14.172 -31.957 1.00 43.00 N ATOM 0 H GLN A 24 7.047 -17.049 -28.816 1.00 45.00 H new ATOM 0 HA GLN A 24 6.306 -15.642 -31.267 1.00 1.00 H new ATOM 0 HB2 GLN A 24 7.830 -18.216 -30.883 1.00 4.00 H new ATOM 0 HB3 GLN A 24 7.268 -17.586 -32.420 1.00 4.00 H new ATOM 0 HG2 GLN A 24 9.228 -16.163 -30.592 1.00 72.00 H new ATOM 0 HG3 GLN A 24 9.685 -17.163 -31.957 1.00 72.00 H new ATOM 0 HE21 GLN A 24 8.275 -14.112 -30.951 1.00 43.00 H new ATOM 0 HE22 GLN A 24 8.336 -13.341 -32.540 1.00 43.00 H new ATOM 393 N GLU A 25 4.781 -17.825 -29.496 1.00 61.00 N ATOM 394 CA GLU A 25 3.579 -18.658 -29.369 1.00 22.00 C ATOM 395 C GLU A 25 2.783 -18.344 -28.138 1.00 43.00 C ATOM 396 O GLU A 25 3.328 -17.963 -27.088 1.00 24.00 O ATOM 397 CB GLU A 25 3.842 -20.175 -29.329 1.00 11.00 C ATOM 398 CG GLU A 25 4.391 -20.803 -30.577 1.00 34.00 C ATOM 399 CD GLU A 25 5.871 -21.051 -30.472 1.00 41.00 C ATOM 400 OE1 GLU A 25 6.268 -22.073 -29.871 1.00 4.00 O ATOM 401 OE2 GLU A 25 6.669 -20.236 -30.958 1.00 70.00 O ATOM 0 H GLU A 25 5.243 -17.608 -28.613 1.00 61.00 H new ATOM 0 HA GLU A 25 3.031 -18.409 -30.278 1.00 22.00 H new ATOM 0 HB2 GLU A 25 4.537 -20.377 -28.514 1.00 11.00 H new ATOM 0 HB3 GLU A 25 2.906 -20.675 -29.081 1.00 11.00 H new ATOM 0 HG2 GLU A 25 3.877 -21.745 -30.766 1.00 34.00 H new ATOM 0 HG3 GLU A 25 4.191 -20.154 -31.429 1.00 34.00 H new ATOM 408 N VAL A 26 1.504 -18.528 -28.282 1.00 12.00 N ATOM 409 CA VAL A 26 0.537 -18.460 -27.200 1.00 43.00 C ATOM 410 C VAL A 26 -0.264 -19.737 -27.181 1.00 25.00 C ATOM 411 O VAL A 26 -0.609 -20.268 -28.230 1.00 62.00 O ATOM 412 CB VAL A 26 -0.455 -17.261 -27.353 1.00 23.00 C ATOM 413 CG1 VAL A 26 0.258 -15.940 -27.269 1.00 62.00 C ATOM 414 CG2 VAL A 26 -1.270 -17.343 -28.635 1.00 31.00 C ATOM 0 H VAL A 26 1.079 -18.738 -29.185 1.00 12.00 H new ATOM 0 HA VAL A 26 1.095 -18.318 -26.274 1.00 43.00 H new ATOM 0 HB VAL A 26 -1.150 -17.331 -26.517 1.00 23.00 H new ATOM 0 HG11 VAL A 26 -0.463 -15.130 -27.379 1.00 62.00 H new ATOM 0 HG12 VAL A 26 0.754 -15.855 -26.302 1.00 62.00 H new ATOM 0 HG13 VAL A 26 1.000 -15.876 -28.064 1.00 62.00 H new ATOM 0 HG21 VAL A 26 -1.943 -16.488 -28.694 1.00 31.00 H new ATOM 0 HG22 VAL A 26 -0.599 -17.336 -29.494 1.00 31.00 H new ATOM 0 HG23 VAL A 26 -1.853 -18.264 -28.637 1.00 31.00 H new ATOM 424 N SER A 27 -0.479 -20.277 -26.022 1.00 23.00 N ATOM 425 CA SER A 27 -1.407 -21.342 -25.891 1.00 62.00 C ATOM 426 C SER A 27 -2.521 -20.802 -25.061 1.00 2.00 C ATOM 427 O SER A 27 -2.305 -20.418 -23.917 1.00 44.00 O ATOM 428 CB SER A 27 -0.784 -22.564 -25.251 1.00 42.00 C ATOM 429 OG SER A 27 0.397 -22.939 -25.947 1.00 21.00 O ATOM 0 H SER A 27 -0.021 -19.993 -25.156 1.00 23.00 H new ATOM 0 HA SER A 27 -1.757 -21.678 -26.867 1.00 62.00 H new ATOM 0 HB2 SER A 27 -0.548 -22.356 -24.207 1.00 42.00 H new ATOM 0 HB3 SER A 27 -1.496 -23.389 -25.258 1.00 42.00 H new ATOM 0 HG SER A 27 0.790 -23.729 -25.522 1.00 21.00 H new ATOM 435 N PHE A 28 -3.667 -20.702 -25.626 1.00 11.00 N ATOM 436 CA PHE A 28 -4.738 -20.062 -24.948 1.00 63.00 C ATOM 437 C PHE A 28 -5.903 -20.998 -24.802 1.00 14.00 C ATOM 438 O PHE A 28 -6.042 -21.981 -25.550 1.00 33.00 O ATOM 439 CB PHE A 28 -5.152 -18.768 -25.667 1.00 10.00 C ATOM 440 CG PHE A 28 -6.215 -18.928 -26.753 1.00 62.00 C ATOM 441 CD1 PHE A 28 -5.965 -19.625 -27.919 1.00 52.00 C ATOM 442 CD2 PHE A 28 -7.475 -18.377 -26.578 1.00 52.00 C ATOM 443 CE1 PHE A 28 -6.953 -19.769 -28.884 1.00 72.00 C ATOM 444 CE2 PHE A 28 -8.457 -18.514 -27.534 1.00 73.00 C ATOM 445 CZ PHE A 28 -8.198 -19.211 -28.688 1.00 63.00 C ATOM 0 H PHE A 28 -3.890 -21.054 -26.557 1.00 11.00 H new ATOM 0 HA PHE A 28 -4.396 -19.789 -23.950 1.00 63.00 H new ATOM 0 HB2 PHE A 28 -5.522 -18.062 -24.923 1.00 10.00 H new ATOM 0 HB3 PHE A 28 -4.264 -18.323 -26.115 1.00 10.00 H new ATOM 0 HD1 PHE A 28 -4.991 -20.062 -28.082 1.00 52.00 H new ATOM 0 HD2 PHE A 28 -7.691 -17.829 -25.673 1.00 52.00 H new ATOM 0 HE1 PHE A 28 -6.746 -20.319 -29.790 1.00 72.00 H new ATOM 0 HE2 PHE A 28 -9.430 -18.073 -27.376 1.00 73.00 H new ATOM 0 HZ PHE A 28 -8.966 -19.322 -29.439 1.00 63.00 H new ATOM 455 N VAL A 29 -6.718 -20.694 -23.869 1.00 63.00 N ATOM 456 CA VAL A 29 -7.853 -21.468 -23.567 1.00 32.00 C ATOM 457 C VAL A 29 -9.075 -20.967 -24.337 1.00 40.00 C ATOM 458 O VAL A 29 -9.552 -19.819 -24.168 1.00 43.00 O ATOM 459 CB VAL A 29 -8.108 -21.579 -22.023 1.00 64.00 C ATOM 460 CG1 VAL A 29 -8.480 -20.257 -21.367 1.00 74.00 C ATOM 461 CG2 VAL A 29 -9.103 -22.681 -21.699 1.00 23.00 C ATOM 0 H VAL A 29 -6.609 -19.872 -23.275 1.00 63.00 H new ATOM 0 HA VAL A 29 -7.657 -22.487 -23.902 1.00 32.00 H new ATOM 0 HB VAL A 29 -7.151 -21.857 -21.581 1.00 64.00 H new ATOM 0 HG11 VAL A 29 -8.641 -20.413 -20.300 1.00 74.00 H new ATOM 0 HG12 VAL A 29 -7.672 -19.539 -21.511 1.00 74.00 H new ATOM 0 HG13 VAL A 29 -9.394 -19.871 -21.819 1.00 74.00 H new ATOM 0 HG21 VAL A 29 -9.255 -22.729 -20.621 1.00 23.00 H new ATOM 0 HG22 VAL A 29 -10.053 -22.470 -22.190 1.00 23.00 H new ATOM 0 HG23 VAL A 29 -8.716 -23.636 -22.053 1.00 23.00 H new ATOM 471 N TYR A 30 -9.492 -21.804 -25.240 1.00 23.00 N ATOM 472 CA TYR A 30 -10.701 -21.626 -26.051 1.00 70.00 C ATOM 473 C TYR A 30 -11.855 -21.462 -25.088 1.00 11.00 C ATOM 474 O TYR A 30 -12.493 -20.414 -25.027 1.00 72.00 O ATOM 475 CB TYR A 30 -10.885 -22.903 -26.895 1.00 22.00 C ATOM 476 CG TYR A 30 -12.077 -22.965 -27.841 1.00 31.00 C ATOM 477 CD1 TYR A 30 -13.360 -23.257 -27.382 1.00 74.00 C ATOM 478 CD2 TYR A 30 -11.903 -22.785 -29.195 1.00 50.00 C ATOM 479 CE1 TYR A 30 -14.425 -23.353 -28.251 1.00 65.00 C ATOM 480 CE2 TYR A 30 -12.968 -22.877 -30.067 1.00 53.00 C ATOM 481 CZ TYR A 30 -14.222 -23.161 -29.594 1.00 5.00 C ATOM 482 OH TYR A 30 -15.286 -23.245 -30.475 1.00 52.00 O ATOM 0 H TYR A 30 -8.994 -22.668 -25.454 1.00 23.00 H new ATOM 0 HA TYR A 30 -10.641 -20.761 -26.712 1.00 70.00 H new ATOM 0 HB2 TYR A 30 -9.981 -23.046 -27.486 1.00 22.00 H new ATOM 0 HB3 TYR A 30 -10.956 -23.749 -26.211 1.00 22.00 H new ATOM 0 HD1 TYR A 30 -13.523 -23.411 -26.325 1.00 74.00 H new ATOM 0 HD2 TYR A 30 -10.918 -22.568 -29.580 1.00 50.00 H new ATOM 0 HE1 TYR A 30 -15.413 -23.578 -27.877 1.00 65.00 H new ATOM 0 HE2 TYR A 30 -12.813 -22.725 -31.125 1.00 53.00 H new ATOM 0 HH TYR A 30 -14.969 -23.082 -31.388 1.00 52.00 H new ATOM 492 N ASP A 31 -12.070 -22.486 -24.302 1.00 22.00 N ATOM 493 CA ASP A 31 -13.078 -22.457 -23.278 1.00 63.00 C ATOM 494 C ASP A 31 -12.748 -23.476 -22.209 1.00 31.00 C ATOM 495 O ASP A 31 -12.797 -23.173 -21.016 1.00 42.00 O ATOM 496 CB ASP A 31 -14.469 -22.699 -23.861 1.00 43.00 C ATOM 497 CG ASP A 31 -15.568 -22.552 -22.832 1.00 2.00 C ATOM 498 OD1 ASP A 31 -15.985 -21.408 -22.552 1.00 11.00 O ATOM 499 OD2 ASP A 31 -16.049 -23.569 -22.303 1.00 1.00 O ATOM 0 H ASP A 31 -11.550 -23.362 -24.355 1.00 22.00 H new ATOM 0 HA ASP A 31 -13.088 -21.465 -22.826 1.00 63.00 H new ATOM 0 HB2 ASP A 31 -14.644 -21.997 -24.676 1.00 43.00 H new ATOM 0 HB3 ASP A 31 -14.510 -23.701 -24.289 1.00 43.00 H new ATOM 504 N ASN A 32 -12.375 -24.676 -22.637 1.00 4.00 N ATOM 505 CA ASN A 32 -11.996 -25.742 -21.703 1.00 62.00 C ATOM 506 C ASN A 32 -10.804 -26.536 -22.272 1.00 23.00 C ATOM 507 O ASN A 32 -10.452 -27.605 -21.787 1.00 32.00 O ATOM 508 CB ASN A 32 -13.210 -26.678 -21.463 1.00 61.00 C ATOM 509 CG ASN A 32 -13.024 -27.718 -20.338 1.00 60.00 C ATOM 510 OD1 ASN A 32 -13.591 -28.812 -20.396 1.00 3.00 O ATOM 511 ND2 ASN A 32 -12.285 -27.382 -19.307 1.00 32.00 N ATOM 0 H ASN A 32 -12.325 -24.940 -23.621 1.00 4.00 H new ATOM 0 HA ASN A 32 -11.697 -25.304 -20.751 1.00 62.00 H new ATOM 0 HB2 ASN A 32 -14.081 -26.065 -21.229 1.00 61.00 H new ATOM 0 HB3 ASN A 32 -13.431 -27.205 -22.391 1.00 61.00 H new ATOM 0 HD21 ASN A 32 -12.169 -28.032 -18.529 1.00 32.00 H new ATOM 0 HD22 ASN A 32 -11.827 -26.471 -19.283 1.00 32.00 H new ATOM 518 N GLN A 33 -10.141 -25.978 -23.258 1.00 11.00 N ATOM 519 CA GLN A 33 -9.078 -26.641 -23.927 1.00 23.00 C ATOM 520 C GLN A 33 -8.138 -25.601 -24.398 1.00 63.00 C ATOM 521 O GLN A 33 -8.534 -24.436 -24.587 1.00 14.00 O ATOM 522 CB GLN A 33 -9.554 -27.515 -25.104 1.00 63.00 C ATOM 523 CG GLN A 33 -10.240 -26.749 -26.203 1.00 10.00 C ATOM 524 CD GLN A 33 -11.689 -26.407 -25.890 1.00 42.00 C ATOM 525 OE1 GLN A 33 -11.992 -25.363 -25.299 1.00 23.00 O ATOM 526 NE2 GLN A 33 -12.582 -27.270 -26.277 1.00 43.00 N ATOM 0 H GLN A 33 -10.337 -25.042 -23.612 1.00 11.00 H new ATOM 0 HA GLN A 33 -8.597 -27.328 -23.231 1.00 23.00 H new ATOM 0 HB2 GLN A 33 -8.695 -28.039 -25.523 1.00 63.00 H new ATOM 0 HB3 GLN A 33 -10.237 -28.275 -24.725 1.00 63.00 H new ATOM 0 HG2 GLN A 33 -9.690 -25.827 -26.391 1.00 10.00 H new ATOM 0 HG3 GLN A 33 -10.203 -27.335 -27.121 1.00 10.00 H new ATOM 0 HE21 GLN A 33 -12.294 -28.120 -26.762 1.00 43.00 H new ATOM 0 HE22 GLN A 33 -13.571 -27.097 -26.096 1.00 43.00 H new ATOM 535 N LEU A 34 -6.942 -25.984 -24.587 1.00 4.00 N ATOM 536 CA LEU A 34 -5.909 -25.066 -24.920 1.00 63.00 C ATOM 537 C LEU A 34 -5.443 -25.289 -26.355 1.00 74.00 C ATOM 538 O LEU A 34 -5.161 -26.430 -26.759 1.00 41.00 O ATOM 539 CB LEU A 34 -4.694 -25.222 -23.966 1.00 51.00 C ATOM 540 CG LEU A 34 -4.802 -24.763 -22.476 1.00 32.00 C ATOM 541 CD1 LEU A 34 -4.998 -23.278 -22.354 1.00 52.00 C ATOM 542 CD2 LEU A 34 -5.872 -25.518 -21.697 1.00 74.00 C ATOM 0 H LEU A 34 -6.637 -26.955 -24.517 1.00 4.00 H new ATOM 0 HA LEU A 34 -6.316 -24.060 -24.816 1.00 63.00 H new ATOM 0 HB2 LEU A 34 -4.421 -26.277 -23.960 1.00 51.00 H new ATOM 0 HB3 LEU A 34 -3.861 -24.679 -24.412 1.00 51.00 H new ATOM 0 HG LEU A 34 -3.843 -25.013 -22.023 1.00 32.00 H new ATOM 0 HD11 LEU A 34 -5.068 -23.005 -21.301 1.00 52.00 H new ATOM 0 HD12 LEU A 34 -4.152 -22.761 -22.807 1.00 52.00 H new ATOM 0 HD13 LEU A 34 -5.916 -22.989 -22.865 1.00 52.00 H new ATOM 0 HD21 LEU A 34 -5.899 -25.155 -20.670 1.00 74.00 H new ATOM 0 HD22 LEU A 34 -6.844 -25.357 -22.164 1.00 74.00 H new ATOM 0 HD23 LEU A 34 -5.640 -26.583 -21.699 1.00 74.00 H new ATOM 554 N LEU A 35 -5.370 -24.234 -27.115 1.00 31.00 N ATOM 555 CA LEU A 35 -4.835 -24.289 -28.466 1.00 53.00 C ATOM 556 C LEU A 35 -3.600 -23.461 -28.509 1.00 53.00 C ATOM 557 O LEU A 35 -3.363 -22.682 -27.597 1.00 31.00 O ATOM 558 CB LEU A 35 -5.794 -23.750 -29.525 1.00 50.00 C ATOM 559 CG LEU A 35 -7.116 -24.472 -29.745 1.00 22.00 C ATOM 560 CD1 LEU A 35 -6.955 -25.978 -29.873 1.00 12.00 C ATOM 561 CD2 LEU A 35 -8.168 -24.089 -28.732 1.00 71.00 C ATOM 0 H LEU A 35 -5.677 -23.306 -26.825 1.00 31.00 H new ATOM 0 HA LEU A 35 -4.651 -25.339 -28.695 1.00 53.00 H new ATOM 0 HB2 LEU A 35 -6.021 -22.715 -29.270 1.00 50.00 H new ATOM 0 HB3 LEU A 35 -5.262 -23.735 -30.476 1.00 50.00 H new ATOM 0 HG LEU A 35 -7.483 -24.125 -30.711 1.00 22.00 H new ATOM 0 HD11 LEU A 35 -7.932 -26.436 -30.028 1.00 12.00 H new ATOM 0 HD12 LEU A 35 -6.309 -26.204 -30.721 1.00 12.00 H new ATOM 0 HD13 LEU A 35 -6.509 -26.375 -28.961 1.00 12.00 H new ATOM 0 HD21 LEU A 35 -9.088 -24.635 -28.939 1.00 71.00 H new ATOM 0 HD22 LEU A 35 -7.816 -24.337 -27.731 1.00 71.00 H new ATOM 0 HD23 LEU A 35 -8.360 -23.018 -28.794 1.00 71.00 H new ATOM 573 N HIS A 36 -2.851 -23.568 -29.562 1.00 64.00 N ATOM 574 CA HIS A 36 -1.617 -22.812 -29.655 1.00 51.00 C ATOM 575 C HIS A 36 -1.489 -22.113 -30.984 1.00 11.00 C ATOM 576 O HIS A 36 -1.821 -22.664 -32.031 1.00 75.00 O ATOM 577 CB HIS A 36 -0.350 -23.626 -29.281 1.00 42.00 C ATOM 578 CG HIS A 36 0.021 -24.760 -30.195 1.00 11.00 C ATOM 579 ND1 HIS A 36 1.195 -24.738 -30.915 1.00 32.00 N ATOM 580 CD2 HIS A 36 -0.618 -25.923 -30.427 1.00 11.00 C ATOM 581 CE1 HIS A 36 1.233 -25.889 -31.566 1.00 63.00 C ATOM 582 NE2 HIS A 36 0.161 -26.634 -31.302 1.00 51.00 N ATOM 0 H HIS A 36 -3.059 -24.161 -30.366 1.00 64.00 H new ATOM 0 HA HIS A 36 -1.684 -22.039 -28.889 1.00 51.00 H new ATOM 0 HB2 HIS A 36 0.494 -22.938 -29.233 1.00 42.00 H new ATOM 0 HB3 HIS A 36 -0.489 -24.030 -28.278 1.00 42.00 H new ATOM 0 HD2 HIS A 36 -1.562 -26.235 -30.005 1.00 11.00 H new ATOM 0 HE1 HIS A 36 2.033 -26.187 -32.228 1.00 63.00 H new ATOM 0 HE2 HIS A 36 -0.042 -27.559 -31.680 1.00 51.00 H new ATOM 590 N LEU A 37 -1.056 -20.884 -30.918 1.00 73.00 N ATOM 591 CA LEU A 37 -0.950 -20.016 -32.080 1.00 52.00 C ATOM 592 C LEU A 37 0.377 -19.369 -32.070 1.00 44.00 C ATOM 593 O LEU A 37 0.945 -19.128 -30.998 1.00 12.00 O ATOM 594 CB LEU A 37 -2.023 -18.908 -32.083 1.00 22.00 C ATOM 595 CG LEU A 37 -3.506 -19.359 -31.968 1.00 61.00 C ATOM 596 CD1 LEU A 37 -3.870 -19.768 -30.559 1.00 54.00 C ATOM 597 CD2 LEU A 37 -4.466 -18.309 -32.459 1.00 43.00 C ATOM 0 H LEU A 37 -0.760 -20.442 -30.048 1.00 73.00 H new ATOM 0 HA LEU A 37 -1.094 -20.633 -32.967 1.00 52.00 H new ATOM 0 HB2 LEU A 37 -1.811 -18.229 -31.257 1.00 22.00 H new ATOM 0 HB3 LEU A 37 -1.914 -18.334 -33.003 1.00 22.00 H new ATOM 0 HG LEU A 37 -3.598 -20.231 -32.615 1.00 61.00 H new ATOM 0 HD11 LEU A 37 -4.915 -20.075 -30.528 1.00 54.00 H new ATOM 0 HD12 LEU A 37 -3.238 -20.599 -30.247 1.00 54.00 H new ATOM 0 HD13 LEU A 37 -3.719 -18.925 -29.885 1.00 54.00 H new ATOM 0 HD21 LEU A 37 -5.488 -18.674 -32.357 1.00 43.00 H new ATOM 0 HD22 LEU A 37 -4.345 -17.401 -31.869 1.00 43.00 H new ATOM 0 HD23 LEU A 37 -4.262 -18.091 -33.507 1.00 43.00 H new ATOM 609 N LYS A 38 0.863 -19.052 -33.223 1.00 54.00 N ATOM 610 CA LYS A 38 2.152 -18.475 -33.327 1.00 41.00 C ATOM 611 C LYS A 38 2.078 -17.101 -33.908 1.00 74.00 C ATOM 612 O LYS A 38 1.155 -16.782 -34.649 1.00 32.00 O ATOM 613 CB LYS A 38 3.043 -19.333 -34.175 1.00 13.00 C ATOM 614 CG LYS A 38 2.657 -19.407 -35.642 1.00 12.00 C ATOM 615 CD LYS A 38 3.709 -20.144 -36.420 1.00 41.00 C ATOM 616 CE LYS A 38 3.328 -20.310 -37.892 1.00 11.00 C ATOM 617 NZ LYS A 38 2.055 -21.050 -38.061 1.00 31.00 N ATOM 0 H LYS A 38 0.379 -19.186 -34.111 1.00 54.00 H new ATOM 0 HA LYS A 38 2.569 -18.407 -32.322 1.00 41.00 H new ATOM 0 HB2 LYS A 38 4.063 -18.955 -34.102 1.00 13.00 H new ATOM 0 HB3 LYS A 38 3.047 -20.343 -33.765 1.00 13.00 H new ATOM 0 HG2 LYS A 38 1.697 -19.911 -35.748 1.00 12.00 H new ATOM 0 HG3 LYS A 38 2.535 -18.401 -36.044 1.00 12.00 H new ATOM 0 HD2 LYS A 38 4.654 -19.606 -36.349 1.00 41.00 H new ATOM 0 HD3 LYS A 38 3.867 -21.126 -35.974 1.00 41.00 H new ATOM 0 HE2 LYS A 38 3.239 -19.327 -38.356 1.00 11.00 H new ATOM 0 HE3 LYS A 38 4.125 -20.838 -38.415 1.00 11.00 H new ATOM 0 HZ1 LYS A 38 1.954 -21.346 -39.053 1.00 31.00 H new ATOM 0 HZ2 LYS A 38 2.058 -21.890 -37.448 1.00 31.00 H new ATOM 0 HZ3 LYS A 38 1.258 -20.434 -37.801 1.00 31.00 H new ATOM 631 N GLN A 39 3.038 -16.310 -33.582 1.00 4.00 N ATOM 632 CA GLN A 39 3.118 -14.963 -34.091 1.00 34.00 C ATOM 633 C GLN A 39 3.674 -14.954 -35.495 1.00 74.00 C ATOM 634 O GLN A 39 4.867 -15.160 -35.731 1.00 0.00 O ATOM 635 CB GLN A 39 3.896 -14.040 -33.159 1.00 63.00 C ATOM 636 CG GLN A 39 4.073 -12.622 -33.694 1.00 73.00 C ATOM 637 CD GLN A 39 4.630 -11.635 -32.680 1.00 41.00 C ATOM 638 OE1 GLN A 39 4.352 -10.435 -32.760 1.00 22.00 O ATOM 639 NE2 GLN A 39 5.379 -12.110 -31.712 1.00 43.00 N ATOM 0 H GLN A 39 3.799 -16.568 -32.953 1.00 4.00 H new ATOM 0 HA GLN A 39 2.104 -14.565 -34.133 1.00 34.00 H new ATOM 0 HB2 GLN A 39 3.382 -13.993 -32.199 1.00 63.00 H new ATOM 0 HB3 GLN A 39 4.879 -14.473 -32.974 1.00 63.00 H new ATOM 0 HG2 GLN A 39 4.738 -12.652 -34.557 1.00 73.00 H new ATOM 0 HG3 GLN A 39 3.109 -12.257 -34.047 1.00 73.00 H new ATOM 0 HE21 GLN A 39 5.591 -13.107 -31.673 1.00 43.00 H new ATOM 0 HE22 GLN A 39 5.749 -11.482 -30.998 1.00 43.00 H new ATOM 648 N GLY A 40 2.797 -14.742 -36.390 1.00 3.00 N ATOM 649 CA GLY A 40 3.077 -14.690 -37.794 1.00 0.00 C ATOM 650 C GLY A 40 1.911 -14.048 -38.456 1.00 74.00 C ATOM 651 O GLY A 40 0.815 -14.083 -37.881 1.00 74.00 O ATOM 0 H GLY A 40 1.812 -14.591 -36.171 1.00 3.00 H new ATOM 0 HA2 GLY A 40 3.987 -14.121 -37.983 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.240 -15.692 -38.190 1.00 0.00 H new ATOM 655 N ILE A 41 2.116 -13.423 -39.637 1.00 64.00 N ATOM 656 CA ILE A 41 1.027 -12.708 -40.333 1.00 21.00 C ATOM 657 C ILE A 41 0.617 -11.486 -39.420 1.00 74.00 C ATOM 658 O ILE A 41 -0.463 -10.858 -39.501 1.00 40.00 O ATOM 659 CB ILE A 41 -0.165 -13.740 -40.632 1.00 43.00 C ATOM 660 CG1 ILE A 41 0.162 -14.722 -41.790 1.00 32.00 C ATOM 661 CG2 ILE A 41 -1.519 -13.107 -40.845 1.00 51.00 C ATOM 662 CD1 ILE A 41 1.216 -15.775 -41.491 1.00 35.00 C ATOM 0 H ILE A 41 3.013 -13.400 -40.121 1.00 64.00 H new ATOM 0 HA ILE A 41 1.325 -12.311 -41.303 1.00 21.00 H new ATOM 0 HB ILE A 41 -0.240 -14.309 -39.705 1.00 43.00 H new ATOM 0 HG12 ILE A 41 -0.758 -15.229 -42.081 1.00 32.00 H new ATOM 0 HG13 ILE A 41 0.491 -14.141 -42.651 1.00 32.00 H new ATOM 0 HG21 ILE A 41 -2.258 -13.885 -41.040 1.00 51.00 H new ATOM 0 HG22 ILE A 41 -1.805 -12.551 -39.952 1.00 51.00 H new ATOM 0 HG23 ILE A 41 -1.473 -12.428 -41.697 1.00 51.00 H new ATOM 0 HD11 ILE A 41 1.362 -16.403 -42.370 1.00 35.00 H new ATOM 0 HD12 ILE A 41 2.156 -15.286 -41.234 1.00 35.00 H new ATOM 0 HD13 ILE A 41 0.887 -16.392 -40.655 1.00 35.00 H new ATOM 674 N SER A 42 1.564 -11.101 -38.629 1.00 44.00 N ATOM 675 CA SER A 42 1.358 -10.188 -37.595 1.00 41.00 C ATOM 676 C SER A 42 1.787 -8.765 -37.909 1.00 54.00 C ATOM 677 O SER A 42 2.957 -8.416 -37.801 1.00 44.00 O ATOM 678 CB SER A 42 2.029 -10.746 -36.368 1.00 33.00 C ATOM 679 OG SER A 42 3.387 -11.091 -36.630 1.00 73.00 O ATOM 0 H SER A 42 2.526 -11.433 -38.701 1.00 44.00 H new ATOM 0 HA SER A 42 0.286 -10.080 -37.432 1.00 41.00 H new ATOM 0 HB2 SER A 42 1.987 -10.012 -35.563 1.00 33.00 H new ATOM 0 HB3 SER A 42 1.488 -11.628 -36.024 1.00 33.00 H new ATOM 0 HG SER A 42 3.815 -10.371 -37.138 1.00 73.00 H new ATOM 685 N ALA A 43 0.835 -7.970 -38.324 1.00 45.00 N ATOM 686 CA ALA A 43 1.030 -6.601 -38.557 1.00 31.00 C ATOM 687 C ALA A 43 0.258 -5.806 -37.511 1.00 44.00 C ATOM 688 O ALA A 43 -0.890 -6.158 -37.198 1.00 43.00 O ATOM 689 CB ALA A 43 0.593 -6.230 -39.954 1.00 44.00 C ATOM 0 H ALA A 43 -0.117 -8.287 -38.508 1.00 45.00 H new ATOM 0 HA ALA A 43 2.091 -6.364 -38.475 1.00 31.00 H new ATOM 0 HB1 ALA A 43 0.753 -5.164 -40.114 1.00 44.00 H new ATOM 0 HB2 ALA A 43 1.175 -6.797 -40.680 1.00 44.00 H new ATOM 0 HB3 ALA A 43 -0.465 -6.461 -40.078 1.00 44.00 H new ATOM 695 N SER A 44 0.900 -4.775 -36.958 1.00 61.00 N ATOM 696 CA SER A 44 0.317 -3.890 -35.938 1.00 31.00 C ATOM 697 C SER A 44 -0.131 -4.658 -34.675 1.00 63.00 C ATOM 698 O SER A 44 -1.282 -5.027 -34.537 1.00 51.00 O ATOM 699 CB SER A 44 -0.839 -3.058 -36.523 1.00 14.00 C ATOM 700 OG SER A 44 -0.413 -2.344 -37.683 1.00 51.00 O ATOM 0 H SER A 44 1.856 -4.524 -37.208 1.00 61.00 H new ATOM 0 HA SER A 44 1.106 -3.206 -35.625 1.00 31.00 H new ATOM 0 HB2 SER A 44 -1.671 -3.713 -36.779 1.00 14.00 H new ATOM 0 HB3 SER A 44 -1.204 -2.357 -35.773 1.00 14.00 H new ATOM 0 HG SER A 44 -1.162 -1.823 -38.040 1.00 51.00 H new ATOM 706 N GLY A 45 0.783 -4.899 -33.772 1.00 64.00 N ATOM 707 CA GLY A 45 0.473 -5.660 -32.573 1.00 54.00 C ATOM 708 C GLY A 45 1.287 -6.907 -32.551 1.00 32.00 C ATOM 709 O GLY A 45 2.482 -6.882 -32.881 1.00 72.00 O ATOM 0 H GLY A 45 1.751 -4.583 -33.837 1.00 64.00 H new ATOM 0 HA2 GLY A 45 0.681 -5.062 -31.686 1.00 54.00 H new ATOM 0 HA3 GLY A 45 -0.589 -5.906 -32.550 1.00 54.00 H new ATOM 713 N ALA A 46 0.658 -7.988 -32.220 1.00 13.00 N ATOM 714 CA ALA A 46 1.255 -9.252 -32.176 1.00 12.00 C ATOM 715 C ALA A 46 0.160 -10.181 -32.485 1.00 23.00 C ATOM 716 O ALA A 46 -0.795 -10.292 -31.722 1.00 30.00 O ATOM 717 CB ALA A 46 1.825 -9.525 -30.804 1.00 22.00 C ATOM 0 H ALA A 46 -0.329 -7.997 -31.964 1.00 13.00 H new ATOM 0 HA ALA A 46 2.087 -9.347 -32.874 1.00 12.00 H new ATOM 0 HB1 ALA A 46 2.285 -10.513 -30.791 1.00 22.00 H new ATOM 0 HB2 ALA A 46 2.576 -8.772 -30.566 1.00 22.00 H new ATOM 0 HB3 ALA A 46 1.026 -9.487 -30.064 1.00 22.00 H new ATOM 723 N ARG A 47 0.223 -10.784 -33.610 1.00 4.00 N ATOM 724 CA ARG A 47 -0.858 -11.599 -34.005 1.00 25.00 C ATOM 725 C ARG A 47 -0.404 -13.024 -33.949 1.00 63.00 C ATOM 726 O ARG A 47 0.462 -13.436 -34.717 1.00 72.00 O ATOM 727 CB ARG A 47 -1.394 -11.272 -35.420 1.00 43.00 C ATOM 728 CG ARG A 47 -1.758 -9.808 -35.656 1.00 22.00 C ATOM 729 CD ARG A 47 -2.252 -9.566 -37.085 1.00 65.00 C ATOM 730 NE ARG A 47 -3.643 -9.999 -37.317 1.00 64.00 N ATOM 731 CZ ARG A 47 -4.139 -10.385 -38.512 1.00 41.00 C ATOM 732 NH1 ARG A 47 -3.329 -10.639 -39.536 1.00 12.00 N ATOM 733 NH2 ARG A 47 -5.449 -10.527 -38.671 1.00 54.00 N ATOM 0 H ARG A 47 1.001 -10.730 -34.267 1.00 4.00 H new ATOM 0 HA ARG A 47 -1.687 -11.412 -33.322 1.00 25.00 H new ATOM 0 HB2 ARG A 47 -0.642 -11.565 -36.152 1.00 43.00 H new ATOM 0 HB3 ARG A 47 -2.277 -11.884 -35.607 1.00 43.00 H new ATOM 0 HG2 ARG A 47 -2.531 -9.508 -34.949 1.00 22.00 H new ATOM 0 HG3 ARG A 47 -0.887 -9.182 -35.462 1.00 22.00 H new ATOM 0 HD2 ARG A 47 -2.170 -8.503 -37.312 1.00 65.00 H new ATOM 0 HD3 ARG A 47 -1.597 -10.092 -37.780 1.00 65.00 H new ATOM 0 HE ARG A 47 -4.276 -10.007 -36.517 1.00 64.00 H new ATOM 0 HH11 ARG A 47 -2.320 -10.543 -39.424 1.00 12.00 H new ATOM 0 HH12 ARG A 47 -3.717 -10.930 -40.433 1.00 12.00 H new ATOM 0 HH21 ARG A 47 -6.080 -10.345 -37.891 1.00 54.00 H new ATOM 0 HH22 ARG A 47 -5.825 -10.819 -39.573 1.00 54.00 H new ATOM 747 N TYR A 48 -0.913 -13.728 -33.014 1.00 31.00 N ATOM 748 CA TYR A 48 -0.653 -15.107 -32.869 1.00 32.00 C ATOM 749 C TYR A 48 -1.791 -15.777 -33.522 1.00 74.00 C ATOM 750 O TYR A 48 -2.921 -15.595 -33.137 1.00 14.00 O ATOM 751 CB TYR A 48 -0.544 -15.478 -31.403 1.00 33.00 C ATOM 752 CG TYR A 48 0.596 -14.794 -30.656 1.00 11.00 C ATOM 753 CD1 TYR A 48 0.448 -13.516 -30.122 1.00 33.00 C ATOM 754 CD2 TYR A 48 1.806 -15.441 -30.461 1.00 12.00 C ATOM 755 CE1 TYR A 48 1.470 -12.911 -29.419 1.00 51.00 C ATOM 756 CE2 TYR A 48 2.837 -14.838 -29.762 1.00 42.00 C ATOM 757 CZ TYR A 48 2.662 -13.575 -29.243 1.00 32.00 C ATOM 758 OH TYR A 48 3.678 -12.978 -28.535 1.00 13.00 O ATOM 0 H TYR A 48 -1.542 -13.350 -32.306 1.00 31.00 H new ATOM 0 HA TYR A 48 0.294 -15.404 -33.319 1.00 32.00 H new ATOM 0 HB2 TYR A 48 -1.484 -15.231 -30.909 1.00 33.00 H new ATOM 0 HB3 TYR A 48 -0.416 -16.558 -31.324 1.00 33.00 H new ATOM 0 HD1 TYR A 48 -0.484 -12.989 -30.261 1.00 33.00 H new ATOM 0 HD2 TYR A 48 1.947 -16.434 -30.862 1.00 12.00 H new ATOM 0 HE1 TYR A 48 1.335 -11.921 -29.009 1.00 51.00 H new ATOM 0 HE2 TYR A 48 3.775 -15.356 -29.624 1.00 42.00 H new ATOM 0 HH TYR A 48 3.298 -12.379 -27.859 1.00 13.00 H new ATOM 768 N THR A 49 -1.535 -16.471 -34.544 1.00 64.00 N ATOM 769 CA THR A 49 -2.575 -17.007 -35.329 1.00 62.00 C ATOM 770 C THR A 49 -2.123 -18.310 -35.922 1.00 44.00 C ATOM 771 O THR A 49 -0.943 -18.489 -36.216 1.00 1.00 O ATOM 772 CB THR A 49 -2.981 -15.991 -36.441 1.00 43.00 C ATOM 773 OG1 THR A 49 -3.391 -14.746 -35.837 1.00 1.00 O ATOM 774 CG2 THR A 49 -4.109 -16.512 -37.324 1.00 40.00 C ATOM 0 H THR A 49 -0.594 -16.691 -34.871 1.00 64.00 H new ATOM 0 HA THR A 49 -3.452 -17.191 -34.709 1.00 62.00 H new ATOM 0 HB THR A 49 -2.106 -15.842 -37.073 1.00 43.00 H new ATOM 0 HG1 THR A 49 -3.187 -14.005 -36.445 1.00 1.00 H new ATOM 0 HG21 THR A 49 -4.353 -15.766 -38.081 1.00 40.00 H new ATOM 0 HG22 THR A 49 -3.793 -17.434 -37.812 1.00 40.00 H new ATOM 0 HG23 THR A 49 -4.989 -16.708 -36.712 1.00 40.00 H new ATOM 782 N ASP A 50 -3.020 -19.247 -35.976 1.00 21.00 N ATOM 783 CA ASP A 50 -2.742 -20.513 -36.624 1.00 72.00 C ATOM 784 C ASP A 50 -3.737 -20.742 -37.747 1.00 31.00 C ATOM 785 O ASP A 50 -3.462 -21.454 -38.709 1.00 0.00 O ATOM 786 CB ASP A 50 -2.797 -21.682 -35.626 1.00 21.00 C ATOM 787 CG ASP A 50 -2.594 -23.039 -36.293 1.00 20.00 C ATOM 788 OD1 ASP A 50 -1.433 -23.442 -36.503 1.00 44.00 O ATOM 789 OD2 ASP A 50 -3.589 -23.709 -36.636 1.00 40.00 O ATOM 0 H ASP A 50 -3.957 -19.168 -35.581 1.00 21.00 H new ATOM 0 HA ASP A 50 -1.732 -20.470 -37.031 1.00 72.00 H new ATOM 0 HB2 ASP A 50 -2.031 -21.539 -34.863 1.00 21.00 H new ATOM 0 HB3 ASP A 50 -3.760 -21.673 -35.116 1.00 21.00 H new ATOM 794 N GLY A 51 -4.866 -20.079 -37.639 1.00 52.00 N ATOM 795 CA GLY A 51 -5.949 -20.291 -38.561 1.00 2.00 C ATOM 796 C GLY A 51 -7.189 -20.667 -37.799 1.00 3.00 C ATOM 797 O GLY A 51 -8.306 -20.501 -38.276 1.00 72.00 O ATOM 0 H GLY A 51 -5.055 -19.385 -36.916 1.00 52.00 H new ATOM 0 HA2 GLY A 51 -6.127 -19.387 -39.143 1.00 2.00 H new ATOM 0 HA3 GLY A 51 -5.690 -21.080 -39.268 1.00 2.00 H new ATOM 801 N ILE A 52 -6.963 -21.154 -36.586 1.00 72.00 N ATOM 802 CA ILE A 52 -8.012 -21.553 -35.661 1.00 50.00 C ATOM 803 C ILE A 52 -8.779 -20.305 -35.276 1.00 71.00 C ATOM 804 O ILE A 52 -9.998 -20.246 -35.358 1.00 3.00 O ATOM 805 CB ILE A 52 -7.382 -22.169 -34.377 1.00 52.00 C ATOM 806 CG1 ILE A 52 -6.406 -23.295 -34.747 1.00 15.00 C ATOM 807 CG2 ILE A 52 -8.469 -22.698 -33.447 1.00 2.00 C ATOM 808 CD1 ILE A 52 -5.634 -23.859 -33.569 1.00 41.00 C ATOM 0 H ILE A 52 -6.024 -21.285 -36.211 1.00 72.00 H new ATOM 0 HA ILE A 52 -8.664 -22.292 -36.127 1.00 50.00 H new ATOM 0 HB ILE A 52 -6.831 -21.386 -33.856 1.00 52.00 H new ATOM 0 HG12 ILE A 52 -6.963 -24.102 -35.222 1.00 15.00 H new ATOM 0 HG13 ILE A 52 -5.698 -22.919 -35.485 1.00 15.00 H new ATOM 0 HG21 ILE A 52 -8.009 -23.125 -32.555 1.00 2.00 H new ATOM 0 HG22 ILE A 52 -9.130 -21.881 -33.159 1.00 2.00 H new ATOM 0 HG23 ILE A 52 -9.045 -23.467 -33.961 1.00 2.00 H new ATOM 0 HD11 ILE A 52 -4.967 -24.649 -33.915 1.00 41.00 H new ATOM 0 HD12 ILE A 52 -5.047 -23.066 -33.105 1.00 41.00 H new ATOM 0 HD13 ILE A 52 -6.332 -24.268 -32.839 1.00 41.00 H new ATOM 820 N TYR A 53 -8.018 -19.324 -34.859 1.00 51.00 N ATOM 821 CA TYR A 53 -8.462 -18.003 -34.528 1.00 24.00 C ATOM 822 C TYR A 53 -7.324 -17.097 -34.778 1.00 22.00 C ATOM 823 O TYR A 53 -6.206 -17.566 -35.067 1.00 13.00 O ATOM 824 CB TYR A 53 -8.871 -17.860 -33.061 1.00 74.00 C ATOM 825 CG TYR A 53 -10.134 -18.594 -32.717 1.00 23.00 C ATOM 826 CD1 TYR A 53 -11.353 -18.074 -33.079 1.00 44.00 C ATOM 827 CD2 TYR A 53 -10.109 -19.821 -32.087 1.00 62.00 C ATOM 828 CE1 TYR A 53 -12.515 -18.741 -32.826 1.00 61.00 C ATOM 829 CE2 TYR A 53 -11.272 -20.504 -31.835 1.00 72.00 C ATOM 830 CZ TYR A 53 -12.478 -19.953 -32.211 1.00 51.00 C ATOM 831 OH TYR A 53 -13.650 -20.619 -31.966 1.00 60.00 O ATOM 0 H TYR A 53 -7.012 -19.439 -34.736 1.00 51.00 H new ATOM 0 HA TYR A 53 -9.340 -17.771 -35.131 1.00 24.00 H new ATOM 0 HB2 TYR A 53 -8.063 -18.228 -32.429 1.00 74.00 H new ATOM 0 HB3 TYR A 53 -9.000 -16.803 -32.830 1.00 74.00 H new ATOM 0 HD1 TYR A 53 -11.392 -17.115 -33.575 1.00 44.00 H new ATOM 0 HD2 TYR A 53 -9.163 -20.249 -31.789 1.00 62.00 H new ATOM 0 HE1 TYR A 53 -13.462 -18.308 -33.113 1.00 61.00 H new ATOM 0 HE2 TYR A 53 -11.243 -21.466 -31.346 1.00 72.00 H new ATOM 0 HH TYR A 53 -13.585 -21.092 -31.110 1.00 60.00 H new ATOM 841 N VAL A 54 -7.580 -15.850 -34.678 1.00 45.00 N ATOM 842 CA VAL A 54 -6.596 -14.834 -34.809 1.00 2.00 C ATOM 843 C VAL A 54 -6.473 -14.172 -33.458 1.00 42.00 C ATOM 844 O VAL A 54 -7.396 -13.484 -33.013 1.00 62.00 O ATOM 845 CB VAL A 54 -7.053 -13.794 -35.840 1.00 64.00 C ATOM 846 CG1 VAL A 54 -6.091 -12.609 -35.909 1.00 1.00 C ATOM 847 CG2 VAL A 54 -7.218 -14.422 -37.218 1.00 62.00 C ATOM 0 H VAL A 54 -8.516 -15.488 -34.495 1.00 45.00 H new ATOM 0 HA VAL A 54 -5.645 -15.253 -35.139 1.00 2.00 H new ATOM 0 HB VAL A 54 -8.023 -13.421 -35.511 1.00 64.00 H new ATOM 0 HG11 VAL A 54 -6.448 -11.893 -36.650 1.00 1.00 H new ATOM 0 HG12 VAL A 54 -6.039 -12.126 -34.933 1.00 1.00 H new ATOM 0 HG13 VAL A 54 -5.099 -12.961 -36.193 1.00 1.00 H new ATOM 0 HG21 VAL A 54 -7.543 -13.661 -37.928 1.00 62.00 H new ATOM 0 HG22 VAL A 54 -6.265 -14.840 -37.544 1.00 62.00 H new ATOM 0 HG23 VAL A 54 -7.964 -15.215 -37.169 1.00 62.00 H new ATOM 857 N PHE A 55 -5.394 -14.423 -32.794 1.00 43.00 N ATOM 858 CA PHE A 55 -5.168 -13.864 -31.486 1.00 1.00 C ATOM 859 C PHE A 55 -4.369 -12.598 -31.661 1.00 52.00 C ATOM 860 O PHE A 55 -3.217 -12.632 -32.082 1.00 23.00 O ATOM 861 CB PHE A 55 -4.427 -14.882 -30.590 1.00 23.00 C ATOM 862 CG PHE A 55 -4.146 -14.430 -29.180 1.00 75.00 C ATOM 863 CD1 PHE A 55 -3.020 -13.678 -28.885 1.00 15.00 C ATOM 864 CD2 PHE A 55 -5.001 -14.767 -28.156 1.00 53.00 C ATOM 865 CE1 PHE A 55 -2.759 -13.271 -27.597 1.00 44.00 C ATOM 866 CE2 PHE A 55 -4.746 -14.364 -26.868 1.00 14.00 C ATOM 867 CZ PHE A 55 -3.623 -13.614 -26.587 1.00 61.00 C ATOM 0 H PHE A 55 -4.640 -15.019 -33.135 1.00 43.00 H new ATOM 0 HA PHE A 55 -6.113 -13.635 -30.993 1.00 1.00 H new ATOM 0 HB2 PHE A 55 -5.017 -15.797 -30.547 1.00 23.00 H new ATOM 0 HB3 PHE A 55 -3.480 -15.135 -31.066 1.00 23.00 H new ATOM 0 HD1 PHE A 55 -2.338 -13.408 -29.677 1.00 15.00 H new ATOM 0 HD2 PHE A 55 -5.882 -15.355 -28.367 1.00 53.00 H new ATOM 0 HE1 PHE A 55 -1.878 -12.684 -27.382 1.00 44.00 H new ATOM 0 HE2 PHE A 55 -5.426 -14.635 -26.074 1.00 14.00 H new ATOM 0 HZ PHE A 55 -3.424 -13.297 -25.574 1.00 61.00 H new ATOM 877 N TRP A 56 -4.961 -11.506 -31.361 1.00 60.00 N ATOM 878 CA TRP A 56 -4.356 -10.268 -31.554 1.00 74.00 C ATOM 879 C TRP A 56 -4.056 -9.683 -30.221 1.00 74.00 C ATOM 880 O TRP A 56 -4.935 -9.482 -29.379 1.00 5.00 O ATOM 881 CB TRP A 56 -5.255 -9.366 -32.372 1.00 3.00 C ATOM 882 CG TRP A 56 -4.633 -8.067 -32.768 1.00 63.00 C ATOM 883 CD1 TRP A 56 -3.313 -7.830 -33.001 1.00 41.00 C ATOM 884 CD2 TRP A 56 -5.311 -6.835 -33.030 1.00 30.00 C ATOM 885 NE1 TRP A 56 -3.133 -6.537 -33.360 1.00 51.00 N ATOM 886 CE2 TRP A 56 -4.339 -5.901 -33.397 1.00 63.00 C ATOM 887 CE3 TRP A 56 -6.648 -6.432 -32.990 1.00 72.00 C ATOM 888 CZ2 TRP A 56 -4.649 -4.584 -33.721 1.00 60.00 C ATOM 889 CZ3 TRP A 56 -6.958 -5.127 -33.312 1.00 64.00 C ATOM 890 CH2 TRP A 56 -5.960 -4.218 -33.676 1.00 40.00 C ATOM 0 H TRP A 56 -5.900 -11.458 -30.966 1.00 60.00 H new ATOM 0 HA TRP A 56 -3.426 -10.380 -32.111 1.00 74.00 H new ATOM 0 HB2 TRP A 56 -5.560 -9.898 -33.273 1.00 3.00 H new ATOM 0 HB3 TRP A 56 -6.161 -9.162 -31.801 1.00 3.00 H new ATOM 0 HD1 TRP A 56 -2.526 -8.564 -32.913 1.00 41.00 H new ATOM 0 HE1 TRP A 56 -2.233 -6.105 -33.571 1.00 51.00 H new ATOM 0 HE3 TRP A 56 -7.425 -7.129 -32.712 1.00 72.00 H new ATOM 0 HZ2 TRP A 56 -3.879 -3.879 -33.998 1.00 60.00 H new ATOM 0 HZ3 TRP A 56 -7.988 -4.802 -33.282 1.00 64.00 H new ATOM 0 HH2 TRP A 56 -6.235 -3.204 -33.927 1.00 40.00 H new ATOM 901 N SER A 57 -2.848 -9.440 -30.036 1.00 24.00 N ATOM 902 CA SER A 57 -2.360 -8.920 -28.834 1.00 61.00 C ATOM 903 C SER A 57 -1.857 -7.544 -29.111 1.00 24.00 C ATOM 904 O SER A 57 -1.053 -7.334 -30.021 1.00 2.00 O ATOM 905 CB SER A 57 -1.245 -9.811 -28.281 1.00 61.00 C ATOM 906 OG SER A 57 -0.801 -9.358 -27.006 1.00 61.00 O ATOM 0 H SER A 57 -2.128 -9.600 -30.741 1.00 24.00 H new ATOM 0 HA SER A 57 -3.148 -8.886 -28.081 1.00 61.00 H new ATOM 0 HB2 SER A 57 -1.604 -10.837 -28.199 1.00 61.00 H new ATOM 0 HB3 SER A 57 -0.406 -9.821 -28.977 1.00 61.00 H new ATOM 0 HG SER A 57 -0.090 -9.948 -26.678 1.00 61.00 H new ATOM 912 N LYS A 58 -2.383 -6.605 -28.403 1.00 2.00 N ATOM 913 CA LYS A 58 -1.946 -5.244 -28.533 1.00 35.00 C ATOM 914 C LYS A 58 -1.075 -4.876 -27.340 1.00 41.00 C ATOM 915 O LYS A 58 -0.699 -3.716 -27.153 1.00 14.00 O ATOM 916 CB LYS A 58 -3.145 -4.321 -28.633 1.00 43.00 C ATOM 917 CG LYS A 58 -4.041 -4.602 -29.834 1.00 44.00 C ATOM 918 CD LYS A 58 -5.304 -3.752 -29.811 1.00 5.00 C ATOM 919 CE LYS A 58 -5.006 -2.254 -29.802 1.00 14.00 C ATOM 920 NZ LYS A 58 -4.352 -1.798 -31.043 1.00 72.00 N ATOM 0 H LYS A 58 -3.125 -6.750 -27.719 1.00 2.00 H new ATOM 0 HA LYS A 58 -1.357 -5.134 -29.443 1.00 35.00 H new ATOM 0 HB2 LYS A 58 -3.737 -4.410 -27.722 1.00 43.00 H new ATOM 0 HB3 LYS A 58 -2.795 -3.290 -28.687 1.00 43.00 H new ATOM 0 HG2 LYS A 58 -3.488 -4.406 -30.753 1.00 44.00 H new ATOM 0 HG3 LYS A 58 -4.314 -5.657 -29.845 1.00 44.00 H new ATOM 0 HD2 LYS A 58 -5.914 -3.992 -30.682 1.00 5.00 H new ATOM 0 HD3 LYS A 58 -5.892 -4.007 -28.929 1.00 5.00 H new ATOM 0 HE2 LYS A 58 -5.936 -1.703 -29.662 1.00 14.00 H new ATOM 0 HE3 LYS A 58 -4.366 -2.020 -28.951 1.00 14.00 H new ATOM 0 HZ1 LYS A 58 -4.218 -0.767 -31.006 1.00 72.00 H new ATOM 0 HZ2 LYS A 58 -3.427 -2.264 -31.140 1.00 72.00 H new ATOM 0 HZ3 LYS A 58 -4.949 -2.041 -31.859 1.00 72.00 H new ATOM 934 N GLY A 59 -0.763 -5.872 -26.537 1.00 55.00 N ATOM 935 CA GLY A 59 0.073 -5.670 -25.387 1.00 41.00 C ATOM 936 C GLY A 59 -0.708 -5.741 -24.100 1.00 21.00 C ATOM 937 O GLY A 59 -0.630 -6.733 -23.372 1.00 73.00 O ATOM 0 H GLY A 59 -1.081 -6.832 -26.666 1.00 55.00 H new ATOM 0 HA2 GLY A 59 0.861 -6.423 -25.375 1.00 41.00 H new ATOM 0 HA3 GLY A 59 0.562 -4.699 -25.461 1.00 41.00 H new ATOM 941 N ASP A 60 -1.494 -4.716 -23.839 1.00 12.00 N ATOM 942 CA ASP A 60 -2.255 -4.625 -22.597 1.00 0.00 C ATOM 943 C ASP A 60 -3.669 -5.056 -22.822 1.00 20.00 C ATOM 944 O ASP A 60 -4.461 -5.136 -21.900 1.00 52.00 O ATOM 945 CB ASP A 60 -2.214 -3.208 -21.999 1.00 23.00 C ATOM 946 CG ASP A 60 -0.858 -2.832 -21.441 1.00 50.00 C ATOM 947 OD1 ASP A 60 0.089 -2.601 -22.227 1.00 0.00 O ATOM 948 OD2 ASP A 60 -0.712 -2.725 -20.198 1.00 52.00 O ATOM 0 H ASP A 60 -1.627 -3.927 -24.471 1.00 12.00 H new ATOM 0 HA ASP A 60 -1.787 -5.296 -21.876 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.495 -2.488 -22.768 1.00 23.00 H new ATOM 0 HB3 ASP A 60 -2.958 -3.134 -21.206 1.00 23.00 H new ATOM 953 N GLU A 61 -3.985 -5.334 -24.052 1.00 64.00 N ATOM 954 CA GLU A 61 -5.259 -5.832 -24.416 1.00 33.00 C ATOM 955 C GLU A 61 -5.079 -6.878 -25.457 1.00 2.00 C ATOM 956 O GLU A 61 -4.147 -6.808 -26.276 1.00 51.00 O ATOM 957 CB GLU A 61 -6.209 -4.723 -24.862 1.00 54.00 C ATOM 958 CG GLU A 61 -5.761 -3.929 -26.047 1.00 12.00 C ATOM 959 CD GLU A 61 -6.753 -2.854 -26.401 1.00 23.00 C ATOM 960 OE1 GLU A 61 -6.654 -1.743 -25.852 1.00 55.00 O ATOM 961 OE2 GLU A 61 -7.659 -3.109 -27.226 1.00 31.00 O ATOM 0 H GLU A 61 -3.346 -5.215 -24.838 1.00 64.00 H new ATOM 0 HA GLU A 61 -5.733 -6.277 -23.542 1.00 33.00 H new ATOM 0 HB2 GLU A 61 -7.177 -5.168 -25.090 1.00 54.00 H new ATOM 0 HB3 GLU A 61 -6.361 -4.041 -24.026 1.00 54.00 H new ATOM 0 HG2 GLU A 61 -4.792 -3.476 -25.837 1.00 12.00 H new ATOM 0 HG3 GLU A 61 -5.624 -4.593 -26.900 1.00 12.00 H new ATOM 968 N ALA A 62 -5.913 -7.846 -25.411 1.00 3.00 N ATOM 969 CA ALA A 62 -5.860 -8.937 -26.280 1.00 64.00 C ATOM 970 C ALA A 62 -7.245 -9.190 -26.748 1.00 72.00 C ATOM 971 O ALA A 62 -8.211 -8.977 -26.002 1.00 21.00 O ATOM 972 CB ALA A 62 -5.306 -10.161 -25.568 1.00 25.00 C ATOM 0 H ALA A 62 -6.678 -7.894 -24.738 1.00 3.00 H new ATOM 0 HA ALA A 62 -5.201 -8.726 -27.122 1.00 64.00 H new ATOM 0 HB1 ALA A 62 -5.272 -11.001 -26.262 1.00 25.00 H new ATOM 0 HB2 ALA A 62 -4.300 -9.948 -25.207 1.00 25.00 H new ATOM 0 HB3 ALA A 62 -5.948 -10.413 -24.724 1.00 25.00 H new ATOM 978 N THR A 63 -7.346 -9.553 -27.948 1.00 12.00 N ATOM 979 CA THR A 63 -8.593 -9.862 -28.554 1.00 34.00 C ATOM 980 C THR A 63 -8.381 -11.047 -29.516 1.00 33.00 C ATOM 981 O THR A 63 -7.246 -11.340 -29.906 1.00 52.00 O ATOM 982 CB THR A 63 -9.144 -8.606 -29.278 1.00 0.00 C ATOM 983 OG1 THR A 63 -10.465 -8.814 -29.754 1.00 32.00 O ATOM 984 CG2 THR A 63 -8.264 -8.230 -30.425 1.00 23.00 C ATOM 0 H THR A 63 -6.547 -9.653 -28.574 1.00 12.00 H new ATOM 0 HA THR A 63 -9.334 -10.152 -27.809 1.00 34.00 H new ATOM 0 HB THR A 63 -9.160 -7.797 -28.548 1.00 0.00 H new ATOM 0 HG1 THR A 63 -10.586 -8.338 -30.602 1.00 32.00 H new ATOM 0 HG21 THR A 63 -8.668 -7.347 -30.919 1.00 23.00 H new ATOM 0 HG22 THR A 63 -7.261 -8.013 -30.058 1.00 23.00 H new ATOM 0 HG23 THR A 63 -8.220 -9.055 -31.136 1.00 23.00 H new ATOM 992 N VAL A 64 -9.439 -11.726 -29.866 1.00 45.00 N ATOM 993 CA VAL A 64 -9.367 -12.934 -30.674 1.00 11.00 C ATOM 994 C VAL A 64 -10.518 -12.958 -31.650 1.00 11.00 C ATOM 995 O VAL A 64 -11.653 -13.267 -31.270 1.00 32.00 O ATOM 996 CB VAL A 64 -9.446 -14.229 -29.808 1.00 13.00 C ATOM 997 CG1 VAL A 64 -9.281 -15.463 -30.661 1.00 43.00 C ATOM 998 CG2 VAL A 64 -8.451 -14.238 -28.663 1.00 34.00 C ATOM 0 H VAL A 64 -10.388 -11.462 -29.601 1.00 45.00 H new ATOM 0 HA VAL A 64 -8.407 -12.916 -31.190 1.00 11.00 H new ATOM 0 HB VAL A 64 -10.441 -14.237 -29.362 1.00 13.00 H new ATOM 0 HG11 VAL A 64 -9.340 -16.351 -30.032 1.00 43.00 H new ATOM 0 HG12 VAL A 64 -10.072 -15.496 -31.410 1.00 43.00 H new ATOM 0 HG13 VAL A 64 -8.311 -15.435 -31.158 1.00 43.00 H new ATOM 0 HG21 VAL A 64 -8.555 -15.164 -28.098 1.00 34.00 H new ATOM 0 HG22 VAL A 64 -7.438 -14.167 -29.060 1.00 34.00 H new ATOM 0 HG23 VAL A 64 -8.644 -13.389 -28.007 1.00 34.00 H new ATOM 1008 N TYR A 65 -10.230 -12.669 -32.886 1.00 0.00 N ATOM 1009 CA TYR A 65 -11.245 -12.594 -33.914 1.00 2.00 C ATOM 1010 C TYR A 65 -10.892 -13.533 -35.078 1.00 32.00 C ATOM 1011 O TYR A 65 -9.994 -13.216 -35.847 1.00 5.00 O ATOM 1012 CB TYR A 65 -11.245 -11.198 -34.578 1.00 73.00 C ATOM 1013 CG TYR A 65 -11.354 -9.917 -33.751 1.00 51.00 C ATOM 1014 CD1 TYR A 65 -12.492 -9.584 -33.041 1.00 41.00 C ATOM 1015 CD2 TYR A 65 -10.326 -8.984 -33.794 1.00 60.00 C ATOM 1016 CE1 TYR A 65 -12.609 -8.364 -32.395 1.00 43.00 C ATOM 1017 CE2 TYR A 65 -10.424 -7.776 -33.138 1.00 22.00 C ATOM 1018 CZ TYR A 65 -11.569 -7.467 -32.444 1.00 4.00 C ATOM 1019 OH TYR A 65 -11.683 -6.233 -31.825 1.00 10.00 O ATOM 0 H TYR A 65 -9.285 -12.477 -33.217 1.00 0.00 H new ATOM 0 HA TYR A 65 -12.191 -12.838 -33.430 1.00 2.00 H new ATOM 0 HB2 TYR A 65 -10.324 -11.123 -35.157 1.00 73.00 H new ATOM 0 HB3 TYR A 65 -12.071 -11.186 -35.289 1.00 73.00 H new ATOM 0 HD1 TYR A 65 -13.308 -10.290 -32.989 1.00 41.00 H new ATOM 0 HD2 TYR A 65 -9.430 -9.210 -34.354 1.00 60.00 H new ATOM 0 HE1 TYR A 65 -13.512 -8.119 -31.856 1.00 43.00 H new ATOM 0 HE2 TYR A 65 -9.603 -7.074 -33.169 1.00 22.00 H new ATOM 0 HH TYR A 65 -10.856 -5.723 -31.956 1.00 10.00 H new ATOM 1029 N LYS A 66 -11.534 -14.670 -35.217 1.00 51.00 N ATOM 1030 CA LYS A 66 -11.469 -15.350 -36.440 1.00 2.00 C ATOM 1031 C LYS A 66 -12.655 -14.773 -37.164 1.00 40.00 C ATOM 1032 O LYS A 66 -13.543 -14.203 -36.529 1.00 51.00 O ATOM 1033 CB LYS A 66 -11.688 -16.856 -36.266 1.00 72.00 C ATOM 1034 CG LYS A 66 -11.331 -17.694 -37.481 1.00 52.00 C ATOM 1035 CD LYS A 66 -11.956 -19.066 -37.397 1.00 14.00 C ATOM 1036 CE LYS A 66 -11.509 -19.968 -38.534 1.00 64.00 C ATOM 1037 NZ LYS A 66 -12.267 -21.234 -38.560 1.00 1.00 N ATOM 0 H LYS A 66 -12.095 -15.120 -34.493 1.00 51.00 H new ATOM 0 HA LYS A 66 -10.506 -15.237 -36.938 1.00 2.00 H new ATOM 0 HB2 LYS A 66 -11.096 -17.200 -35.418 1.00 72.00 H new ATOM 0 HB3 LYS A 66 -12.734 -17.031 -36.016 1.00 72.00 H new ATOM 0 HG2 LYS A 66 -11.671 -17.191 -38.386 1.00 52.00 H new ATOM 0 HG3 LYS A 66 -10.248 -17.788 -37.556 1.00 52.00 H new ATOM 0 HD2 LYS A 66 -11.692 -19.526 -36.445 1.00 14.00 H new ATOM 0 HD3 LYS A 66 -13.042 -18.971 -37.416 1.00 14.00 H new ATOM 0 HE2 LYS A 66 -11.638 -19.448 -39.483 1.00 64.00 H new ATOM 0 HE3 LYS A 66 -10.445 -20.183 -38.431 1.00 64.00 H new ATOM 0 HZ1 LYS A 66 -11.692 -21.973 -39.012 1.00 1.00 H new ATOM 0 HZ2 LYS A 66 -12.497 -21.521 -37.587 1.00 1.00 H new ATOM 0 HZ3 LYS A 66 -13.147 -21.101 -39.099 1.00 1.00 H new ATOM 1051 N ARG A 67 -12.712 -14.941 -38.408 1.00 21.00 N ATOM 1052 CA ARG A 67 -13.811 -14.383 -39.183 1.00 52.00 C ATOM 1053 C ARG A 67 -15.084 -15.146 -38.916 1.00 52.00 C ATOM 1054 O ARG A 67 -16.184 -14.610 -38.992 1.00 70.00 O ATOM 1055 CB ARG A 67 -13.512 -14.429 -40.634 1.00 41.00 C ATOM 1056 CG ARG A 67 -12.251 -13.724 -41.002 1.00 33.00 C ATOM 1057 CD ARG A 67 -12.067 -13.812 -42.458 1.00 34.00 C ATOM 1058 NE ARG A 67 -13.120 -13.077 -43.169 1.00 4.00 N ATOM 1059 CZ ARG A 67 -13.212 -12.896 -44.487 1.00 24.00 C ATOM 1060 NH1 ARG A 67 -12.252 -13.327 -45.307 1.00 52.00 N ATOM 1061 NH2 ARG A 67 -14.260 -12.248 -44.979 1.00 72.00 N ATOM 0 H ARG A 67 -12.023 -15.460 -38.953 1.00 21.00 H new ATOM 0 HA ARG A 67 -13.938 -13.344 -38.879 1.00 52.00 H new ATOM 0 HB2 ARG A 67 -13.443 -15.470 -40.950 1.00 41.00 H new ATOM 0 HB3 ARG A 67 -14.342 -13.983 -41.183 1.00 41.00 H new ATOM 0 HG2 ARG A 67 -12.297 -12.681 -40.690 1.00 33.00 H new ATOM 0 HG3 ARG A 67 -11.403 -14.174 -40.486 1.00 33.00 H new ATOM 0 HD2 ARG A 67 -11.091 -13.409 -42.729 1.00 34.00 H new ATOM 0 HD3 ARG A 67 -12.077 -14.857 -42.766 1.00 34.00 H new ATOM 0 HE ARG A 67 -13.856 -12.663 -42.597 1.00 4.00 H new ATOM 0 HH11 ARG A 67 -11.433 -13.803 -44.928 1.00 52.00 H new ATOM 0 HH12 ARG A 67 -12.337 -13.181 -46.313 1.00 52.00 H new ATOM 0 HH21 ARG A 67 -14.982 -11.895 -44.351 1.00 72.00 H new ATOM 0 HH22 ARG A 67 -14.343 -12.102 -45.985 1.00 72.00 H new ATOM 1075 N ASP A 68 -14.910 -16.404 -38.572 1.00 4.00 N ATOM 1076 CA ASP A 68 -16.025 -17.277 -38.276 1.00 32.00 C ATOM 1077 C ASP A 68 -16.462 -17.074 -36.870 1.00 33.00 C ATOM 1078 O ASP A 68 -17.648 -17.222 -36.551 1.00 22.00 O ATOM 1079 CB ASP A 68 -15.727 -18.774 -38.508 1.00 22.00 C ATOM 1080 CG ASP A 68 -15.335 -19.125 -39.924 1.00 71.00 C ATOM 1081 OD1 ASP A 68 -16.137 -18.905 -40.857 1.00 5.00 O ATOM 1082 OD2 ASP A 68 -14.221 -19.665 -40.128 1.00 11.00 O ATOM 0 H ASP A 68 -13.996 -16.849 -38.490 1.00 4.00 H new ATOM 0 HA ASP A 68 -16.816 -17.006 -38.975 1.00 32.00 H new ATOM 0 HB2 ASP A 68 -14.925 -19.080 -37.836 1.00 22.00 H new ATOM 0 HB3 ASP A 68 -16.609 -19.353 -38.235 1.00 22.00 H new ATOM 1087 N ARG A 69 -15.535 -16.674 -36.025 1.00 64.00 N ATOM 1088 CA ARG A 69 -15.845 -16.483 -34.658 1.00 53.00 C ATOM 1089 C ARG A 69 -14.765 -15.744 -33.891 1.00 3.00 C ATOM 1090 O ARG A 69 -13.588 -16.053 -33.953 1.00 42.00 O ATOM 1091 CB ARG A 69 -16.197 -17.776 -33.908 1.00 30.00 C ATOM 1092 CG ARG A 69 -16.610 -17.516 -32.461 1.00 71.00 C ATOM 1093 CD ARG A 69 -16.692 -18.770 -31.652 1.00 63.00 C ATOM 1094 NE ARG A 69 -17.012 -18.507 -30.233 1.00 2.00 N ATOM 1095 CZ ARG A 69 -16.962 -19.424 -29.246 1.00 22.00 C ATOM 1096 NH1 ARG A 69 -16.563 -20.667 -29.505 1.00 2.00 N ATOM 1097 NH2 ARG A 69 -17.276 -19.088 -27.992 1.00 70.00 N ATOM 0 H ARG A 69 -14.566 -16.480 -36.278 1.00 64.00 H new ATOM 0 HA ARG A 69 -16.738 -15.860 -34.693 1.00 53.00 H new ATOM 0 HB2 ARG A 69 -17.008 -18.285 -34.428 1.00 30.00 H new ATOM 0 HB3 ARG A 69 -15.338 -18.447 -33.923 1.00 30.00 H new ATOM 0 HG2 ARG A 69 -15.894 -16.836 -31.999 1.00 71.00 H new ATOM 0 HG3 ARG A 69 -17.578 -17.016 -32.448 1.00 71.00 H new ATOM 0 HD2 ARG A 69 -17.453 -19.424 -32.078 1.00 63.00 H new ATOM 0 HD3 ARG A 69 -15.743 -19.302 -31.715 1.00 63.00 H new ATOM 0 HE ARG A 69 -17.292 -17.559 -29.981 1.00 2.00 H new ATOM 0 HH11 ARG A 69 -16.294 -20.929 -30.453 1.00 2.00 H new ATOM 0 HH12 ARG A 69 -16.527 -21.358 -28.755 1.00 2.00 H new ATOM 0 HH21 ARG A 69 -17.556 -18.132 -27.775 1.00 70.00 H new ATOM 0 HH22 ARG A 69 -17.236 -19.788 -27.251 1.00 70.00 H new ATOM 1111 N ILE A 70 -15.207 -14.769 -33.230 1.00 53.00 N ATOM 1112 CA ILE A 70 -14.493 -14.039 -32.228 1.00 21.00 C ATOM 1113 C ILE A 70 -14.777 -14.754 -30.945 1.00 23.00 C ATOM 1114 O ILE A 70 -15.925 -15.121 -30.676 1.00 73.00 O ATOM 1115 CB ILE A 70 -15.097 -12.637 -32.077 1.00 72.00 C ATOM 1116 CG1 ILE A 70 -15.165 -11.935 -33.415 1.00 13.00 C ATOM 1117 CG2 ILE A 70 -14.361 -11.798 -31.025 1.00 55.00 C ATOM 1118 CD1 ILE A 70 -15.864 -10.592 -33.382 1.00 61.00 C ATOM 0 H ILE A 70 -16.153 -14.413 -33.369 1.00 53.00 H new ATOM 0 HA ILE A 70 -13.435 -13.966 -32.478 1.00 21.00 H new ATOM 0 HB ILE A 70 -16.117 -12.757 -31.711 1.00 72.00 H new ATOM 0 HG12 ILE A 70 -14.151 -11.794 -33.790 1.00 13.00 H new ATOM 0 HG13 ILE A 70 -15.680 -12.582 -34.125 1.00 13.00 H new ATOM 0 HG21 ILE A 70 -14.825 -10.814 -30.954 1.00 55.00 H new ATOM 0 HG22 ILE A 70 -14.418 -12.296 -30.057 1.00 55.00 H new ATOM 0 HG23 ILE A 70 -13.316 -11.686 -31.315 1.00 55.00 H new ATOM 0 HD11 ILE A 70 -15.868 -10.159 -34.382 1.00 61.00 H new ATOM 0 HD12 ILE A 70 -16.891 -10.724 -33.040 1.00 61.00 H new ATOM 0 HD13 ILE A 70 -15.338 -9.925 -32.700 1.00 61.00 H new ATOM 1130 N VAL A 71 -13.799 -14.962 -30.174 1.00 73.00 N ATOM 1131 CA VAL A 71 -14.034 -15.619 -28.914 1.00 24.00 C ATOM 1132 C VAL A 71 -13.849 -14.673 -27.786 1.00 34.00 C ATOM 1133 O VAL A 71 -14.352 -14.891 -26.696 1.00 50.00 O ATOM 1134 CB VAL A 71 -13.239 -16.945 -28.677 1.00 41.00 C ATOM 1135 CG1 VAL A 71 -13.594 -17.964 -29.713 1.00 44.00 C ATOM 1136 CG2 VAL A 71 -11.744 -16.742 -28.653 1.00 2.00 C ATOM 0 H VAL A 71 -12.831 -14.702 -30.364 1.00 73.00 H new ATOM 0 HA VAL A 71 -15.074 -15.940 -28.962 1.00 24.00 H new ATOM 0 HB VAL A 71 -13.531 -17.304 -27.690 1.00 41.00 H new ATOM 0 HG11 VAL A 71 -13.031 -18.879 -29.531 1.00 44.00 H new ATOM 0 HG12 VAL A 71 -14.661 -18.179 -29.662 1.00 44.00 H new ATOM 0 HG13 VAL A 71 -13.349 -17.578 -30.702 1.00 44.00 H new ATOM 0 HG21 VAL A 71 -11.250 -17.699 -28.485 1.00 2.00 H new ATOM 0 HG22 VAL A 71 -11.418 -16.328 -29.607 1.00 2.00 H new ATOM 0 HG23 VAL A 71 -11.483 -16.053 -27.850 1.00 2.00 H new ATOM 1146 N LEU A 72 -13.188 -13.587 -28.065 1.00 73.00 N ATOM 1147 CA LEU A 72 -12.856 -12.644 -27.054 1.00 71.00 C ATOM 1148 C LEU A 72 -12.529 -11.340 -27.728 1.00 65.00 C ATOM 1149 O LEU A 72 -11.841 -11.332 -28.734 1.00 13.00 O ATOM 1150 CB LEU A 72 -11.628 -13.160 -26.276 1.00 10.00 C ATOM 1151 CG LEU A 72 -11.248 -12.443 -25.004 1.00 42.00 C ATOM 1152 CD1 LEU A 72 -10.422 -11.231 -25.321 1.00 42.00 C ATOM 1153 CD2 LEU A 72 -12.475 -12.068 -24.174 1.00 61.00 C ATOM 0 H LEU A 72 -12.867 -13.337 -29.000 1.00 73.00 H new ATOM 0 HA LEU A 72 -13.684 -12.505 -26.359 1.00 71.00 H new ATOM 0 HB2 LEU A 72 -11.803 -14.207 -26.030 1.00 10.00 H new ATOM 0 HB3 LEU A 72 -10.769 -13.129 -26.947 1.00 10.00 H new ATOM 0 HG LEU A 72 -10.652 -13.126 -24.400 1.00 42.00 H new ATOM 0 HD11 LEU A 72 -10.154 -10.721 -24.396 1.00 42.00 H new ATOM 0 HD12 LEU A 72 -9.515 -11.535 -25.844 1.00 42.00 H new ATOM 0 HD13 LEU A 72 -10.996 -10.555 -25.954 1.00 42.00 H new ATOM 0 HD21 LEU A 72 -12.157 -11.554 -23.267 1.00 61.00 H new ATOM 0 HD22 LEU A 72 -13.121 -11.411 -24.756 1.00 61.00 H new ATOM 0 HD23 LEU A 72 -13.023 -12.971 -23.906 1.00 61.00 H new ATOM 1165 N ASN A 73 -13.056 -10.274 -27.231 1.00 71.00 N ATOM 1166 CA ASN A 73 -12.709 -8.960 -27.708 1.00 43.00 C ATOM 1167 C ASN A 73 -12.512 -8.020 -26.540 1.00 53.00 C ATOM 1168 O ASN A 73 -12.322 -6.825 -26.713 1.00 51.00 O ATOM 1169 CB ASN A 73 -13.743 -8.410 -28.729 1.00 41.00 C ATOM 1170 CG ASN A 73 -15.123 -8.100 -28.148 1.00 54.00 C ATOM 1171 OD1 ASN A 73 -15.401 -6.974 -27.733 1.00 45.00 O ATOM 1172 ND2 ASN A 73 -15.989 -9.080 -28.121 1.00 12.00 N ATOM 0 H ASN A 73 -13.744 -10.279 -26.478 1.00 71.00 H new ATOM 0 HA ASN A 73 -11.767 -9.037 -28.250 1.00 43.00 H new ATOM 0 HB2 ASN A 73 -13.341 -7.501 -29.176 1.00 41.00 H new ATOM 0 HB3 ASN A 73 -13.859 -9.137 -29.533 1.00 41.00 H new ATOM 0 HD21 ASN A 73 -16.926 -8.923 -27.749 1.00 12.00 H new ATOM 0 HD22 ASN A 73 -15.728 -10.001 -28.472 1.00 12.00 H new ATOM 1179 N ASN A 74 -12.457 -8.594 -25.360 1.00 64.00 N ATOM 1180 CA ASN A 74 -12.344 -7.846 -24.123 1.00 31.00 C ATOM 1181 C ASN A 74 -11.416 -8.539 -23.120 1.00 54.00 C ATOM 1182 O ASN A 74 -11.889 -9.182 -22.163 1.00 62.00 O ATOM 1183 CB ASN A 74 -13.716 -7.610 -23.429 1.00 3.00 C ATOM 1184 CG ASN A 74 -14.707 -6.737 -24.184 1.00 73.00 C ATOM 1185 OD1 ASN A 74 -14.336 -5.851 -24.952 1.00 44.00 O ATOM 1186 ND2 ASN A 74 -15.973 -6.947 -23.935 1.00 14.00 N ATOM 0 H ASN A 74 -12.490 -9.605 -25.228 1.00 64.00 H new ATOM 0 HA ASN A 74 -11.926 -6.883 -24.415 1.00 31.00 H new ATOM 0 HB2 ASN A 74 -14.181 -8.579 -23.249 1.00 3.00 H new ATOM 0 HB3 ASN A 74 -13.534 -7.158 -22.454 1.00 3.00 H new ATOM 0 HD21 ASN A 74 -16.684 -6.368 -24.383 1.00 14.00 H new ATOM 0 HD22 ASN A 74 -16.250 -7.690 -23.293 1.00 14.00 H new ATOM 1193 N CYS A 75 -10.124 -8.523 -23.391 1.00 43.00 N ATOM 1194 CA CYS A 75 -9.135 -8.917 -22.403 1.00 13.00 C ATOM 1195 C CYS A 75 -8.172 -7.830 -22.257 1.00 63.00 C ATOM 1196 O CYS A 75 -7.657 -7.326 -23.255 1.00 5.00 O ATOM 1197 CB CYS A 75 -8.395 -10.200 -22.733 1.00 34.00 C ATOM 1198 SG CYS A 75 -9.293 -11.703 -22.301 1.00 32.00 S ATOM 0 H CYS A 75 -9.733 -8.241 -24.290 1.00 43.00 H new ATOM 0 HA CYS A 75 -9.676 -9.115 -21.478 1.00 13.00 H new ATOM 0 HB2 CYS A 75 -8.176 -10.215 -23.801 1.00 34.00 H new ATOM 0 HB3 CYS A 75 -7.438 -10.199 -22.211 1.00 34.00 H new ATOM 1203 N GLN A 76 -7.909 -7.460 -21.045 1.00 12.00 N ATOM 1204 CA GLN A 76 -7.079 -6.380 -20.745 1.00 40.00 C ATOM 1205 C GLN A 76 -6.274 -6.818 -19.597 1.00 61.00 C ATOM 1206 O GLN A 76 -6.800 -7.331 -18.608 1.00 64.00 O ATOM 1207 CB GLN A 76 -7.893 -5.113 -20.491 1.00 53.00 C ATOM 1208 CG GLN A 76 -8.632 -4.658 -21.751 1.00 63.00 C ATOM 1209 CD GLN A 76 -9.471 -3.421 -21.552 1.00 42.00 C ATOM 1210 OE1 GLN A 76 -9.000 -2.306 -21.745 1.00 31.00 O ATOM 1211 NE2 GLN A 76 -10.706 -3.597 -21.191 1.00 31.00 N ATOM 0 H GLN A 76 -8.288 -7.929 -20.222 1.00 12.00 H new ATOM 0 HA GLN A 76 -6.424 -6.106 -21.572 1.00 40.00 H new ATOM 0 HB2 GLN A 76 -8.612 -5.295 -19.692 1.00 53.00 H new ATOM 0 HB3 GLN A 76 -7.232 -4.317 -20.149 1.00 53.00 H new ATOM 0 HG2 GLN A 76 -7.904 -4.469 -22.539 1.00 63.00 H new ATOM 0 HG3 GLN A 76 -9.273 -5.469 -22.097 1.00 63.00 H new ATOM 0 HE21 GLN A 76 -11.064 -4.540 -21.039 1.00 31.00 H new ATOM 0 HE22 GLN A 76 -11.318 -2.792 -21.059 1.00 31.00 H new ATOM 1220 N LEU A 77 -5.031 -6.714 -19.771 1.00 71.00 N ATOM 1221 CA LEU A 77 -4.097 -7.316 -18.896 1.00 43.00 C ATOM 1222 C LEU A 77 -3.737 -6.407 -17.738 1.00 44.00 C ATOM 1223 O LEU A 77 -3.609 -5.187 -17.918 1.00 51.00 O ATOM 1224 CB LEU A 77 -2.854 -7.687 -19.697 1.00 3.00 C ATOM 1225 CG LEU A 77 -1.672 -8.287 -18.947 1.00 20.00 C ATOM 1226 CD1 LEU A 77 -2.031 -9.627 -18.344 1.00 65.00 C ATOM 1227 CD2 LEU A 77 -0.481 -8.388 -19.884 1.00 11.00 C ATOM 0 H LEU A 77 -4.608 -6.197 -20.542 1.00 71.00 H new ATOM 0 HA LEU A 77 -4.545 -8.210 -18.462 1.00 43.00 H new ATOM 0 HB2 LEU A 77 -3.154 -8.395 -20.469 1.00 3.00 H new ATOM 0 HB3 LEU A 77 -2.505 -6.789 -20.207 1.00 3.00 H new ATOM 0 HG LEU A 77 -1.404 -7.634 -18.116 1.00 20.00 H new ATOM 0 HD11 LEU A 77 -1.168 -10.031 -17.815 1.00 65.00 H new ATOM 0 HD12 LEU A 77 -2.859 -9.502 -17.646 1.00 65.00 H new ATOM 0 HD13 LEU A 77 -2.326 -10.315 -19.136 1.00 65.00 H new ATOM 0 HD21 LEU A 77 0.367 -8.817 -19.350 1.00 11.00 H new ATOM 0 HD22 LEU A 77 -0.737 -9.025 -20.730 1.00 11.00 H new ATOM 0 HD23 LEU A 77 -0.217 -7.394 -20.245 1.00 11.00 H new ATOM 1239 N GLN A 78 -3.578 -6.976 -16.557 1.00 73.00 N ATOM 1240 CA GLN A 78 -3.127 -6.181 -15.431 1.00 33.00 C ATOM 1241 C GLN A 78 -1.691 -6.525 -15.072 1.00 1.00 C ATOM 1242 O GLN A 78 -0.853 -5.624 -14.890 1.00 21.00 O ATOM 1243 CB GLN A 78 -4.048 -6.312 -14.214 1.00 45.00 C ATOM 1244 CG GLN A 78 -5.459 -5.804 -14.464 1.00 12.00 C ATOM 1245 CD GLN A 78 -6.348 -5.895 -13.246 1.00 40.00 C ATOM 1246 OE1 GLN A 78 -5.883 -5.806 -12.101 1.00 32.00 O ATOM 1247 NE2 GLN A 78 -7.625 -6.061 -13.467 1.00 23.00 N ATOM 0 H GLN A 78 -3.750 -7.961 -16.355 1.00 73.00 H new ATOM 0 HA GLN A 78 -3.167 -5.136 -15.740 1.00 33.00 H new ATOM 0 HB2 GLN A 78 -4.095 -7.359 -13.915 1.00 45.00 H new ATOM 0 HB3 GLN A 78 -3.615 -5.761 -13.379 1.00 45.00 H new ATOM 0 HG2 GLN A 78 -5.412 -4.766 -14.795 1.00 12.00 H new ATOM 0 HG3 GLN A 78 -5.906 -6.377 -15.276 1.00 12.00 H new ATOM 0 HE21 GLN A 78 -7.972 -6.130 -14.424 1.00 23.00 H new ATOM 0 HE22 GLN A 78 -8.275 -6.121 -12.683 1.00 23.00 H new ATOM 1256 N ASN A 79 -1.374 -7.809 -15.014 1.00 45.00 N ATOM 1257 CA ASN A 79 -0.041 -8.240 -14.654 1.00 10.00 C ATOM 1258 C ASN A 79 0.120 -9.678 -15.031 1.00 1.00 C ATOM 1259 O ASN A 79 -0.410 -10.555 -14.370 1.00 44.00 O ATOM 1260 CB ASN A 79 0.236 -8.011 -13.156 1.00 74.00 C ATOM 1261 CG ASN A 79 1.616 -8.467 -12.715 1.00 52.00 C ATOM 1262 OD1 ASN A 79 2.600 -7.746 -12.871 1.00 31.00 O ATOM 1263 ND2 ASN A 79 1.691 -9.607 -12.081 1.00 34.00 N ATOM 0 H ASN A 79 -2.026 -8.568 -15.213 1.00 45.00 H new ATOM 0 HA ASN A 79 0.692 -7.645 -15.199 1.00 10.00 H new ATOM 0 HB2 ASN A 79 0.125 -6.950 -12.933 1.00 74.00 H new ATOM 0 HB3 ASN A 79 -0.516 -8.540 -12.571 1.00 74.00 H new ATOM 0 HD21 ASN A 79 2.583 -9.921 -11.699 1.00 34.00 H new ATOM 0 HD22 ASN A 79 0.857 -10.183 -11.968 1.00 34.00 H new ATOM 1270 N PRO A 80 0.839 -9.951 -16.119 1.00 64.00 N ATOM 1271 CA PRO A 80 0.943 -11.299 -16.660 1.00 74.00 C ATOM 1272 C PRO A 80 1.911 -12.229 -15.897 1.00 33.00 C ATOM 1273 O PRO A 80 2.202 -13.348 -16.332 1.00 10.00 O ATOM 1274 CB PRO A 80 1.460 -11.066 -18.070 1.00 34.00 C ATOM 1275 CG PRO A 80 2.305 -9.852 -17.931 1.00 64.00 C ATOM 1276 CD PRO A 80 1.574 -8.975 -16.959 1.00 60.00 C ATOM 0 HA PRO A 80 -0.017 -11.810 -16.593 1.00 74.00 H new ATOM 0 HB2 PRO A 80 2.036 -11.917 -18.432 1.00 34.00 H new ATOM 0 HB3 PRO A 80 0.645 -10.909 -18.776 1.00 34.00 H new ATOM 0 HG2 PRO A 80 3.300 -10.104 -17.563 1.00 64.00 H new ATOM 0 HG3 PRO A 80 2.437 -9.352 -18.890 1.00 64.00 H new ATOM 0 HD2 PRO A 80 2.260 -8.369 -16.367 1.00 60.00 H new ATOM 0 HD3 PRO A 80 0.897 -8.287 -17.466 1.00 60.00 H new ATOM 1284 N GLN A 81 2.418 -11.759 -14.797 1.00 44.00 N ATOM 1285 CA GLN A 81 3.356 -12.517 -14.028 1.00 53.00 C ATOM 1286 C GLN A 81 2.652 -13.249 -12.918 1.00 42.00 C ATOM 1287 O GLN A 81 3.011 -14.360 -12.541 1.00 53.00 O ATOM 1288 CB GLN A 81 4.413 -11.596 -13.476 1.00 44.00 C ATOM 1289 CG GLN A 81 5.185 -10.857 -14.543 1.00 54.00 C ATOM 1290 CD GLN A 81 6.067 -9.799 -13.962 1.00 32.00 C ATOM 1291 OE1 GLN A 81 5.658 -8.648 -13.811 1.00 4.00 O ATOM 1292 NE2 GLN A 81 7.266 -10.164 -13.620 1.00 53.00 N ATOM 0 H GLN A 81 2.194 -10.843 -14.409 1.00 44.00 H new ATOM 0 HA GLN A 81 3.834 -13.258 -14.669 1.00 53.00 H new ATOM 0 HB2 GLN A 81 3.942 -10.871 -12.812 1.00 44.00 H new ATOM 0 HB3 GLN A 81 5.110 -12.176 -12.871 1.00 44.00 H new ATOM 0 HG2 GLN A 81 5.791 -11.565 -15.108 1.00 54.00 H new ATOM 0 HG3 GLN A 81 4.487 -10.402 -15.246 1.00 54.00 H new ATOM 0 HE21 GLN A 81 7.566 -11.129 -13.762 1.00 53.00 H new ATOM 0 HE22 GLN A 81 7.908 -9.486 -13.209 1.00 53.00 H new