USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 709 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 5 GLN :FLIP amide:sc= -0.872 F(o=-1.3!,f=-0.58) USER MOD Set 1.2: A 72 THR OG1 : rot 135:sc= 0.296 USER MOD Set 2.1: A 3 GLN : amide:sc= 0.64 K(o=0.64,f=-7.1!) USER MOD Set 2.2: A 74 THR OG1 : rot -179:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -164:sc= 0.641 (180deg=0.541) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= -0.0703 USER MOD Single : A 12 ASN :FLIP amide:sc= -1.09 F(o=-1.8!,f=-1.1) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.0127 X(o=-0.013,f=-0.2) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 140:sc= 0.859 USER MOD Single : A 38 ASN :FLIP amide:sc= -0.52 F(o=-1.5,f=-0.52) USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 56:sc= 0.373 USER MOD Single : A 48 ASN : amide:sc=-0.00524 X(o=-0.0052,f=-0.0052) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= 0.00612 X(o=0.0061,f=-0.018) USER MOD Single : A 63 LYS NZ :NH3+ 146:sc= 0.777 (180deg=0.0813) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=-0.0024) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 HIS : no HD1:sc= -0.0157 X(o=-0.016,f=-0.016) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 84 HIS : no HD1:sc=-0.00757 X(o=-0.0076,f=-0.0076) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.156 13.038 -13.265 1.00 72.04 N ATOM 2 CA MET A 1 0.341 12.509 -14.638 1.00 71.42 C ATOM 3 C MET A 1 0.538 10.988 -14.597 1.00 60.14 C ATOM 4 O MET A 1 1.087 10.469 -13.626 1.00 42.31 O ATOM 5 CB MET A 1 1.548 13.205 -15.332 1.00 21.00 C ATOM 6 CG MET A 1 1.347 14.710 -15.558 1.00 60.34 C ATOM 7 SD MET A 1 -0.124 15.052 -16.554 1.00 21.24 S ATOM 8 CE MET A 1 -0.210 16.844 -16.523 1.00 41.42 C ATOM 0 H1 MET A 1 -0.240 13.998 -13.313 1.00 72.04 H new ATOM 0 H2 MET A 1 -0.496 12.421 -12.740 1.00 72.04 H new ATOM 0 H3 MET A 1 1.074 13.066 -12.777 1.00 72.04 H new ATOM 0 HA MET A 1 -0.555 12.725 -15.221 1.00 71.42 H new ATOM 0 HB2 MET A 1 2.441 13.054 -14.725 1.00 21.00 H new ATOM 0 HB3 MET A 1 1.730 12.724 -16.293 1.00 21.00 H new ATOM 0 HG2 MET A 1 1.258 15.213 -14.595 1.00 60.34 H new ATOM 0 HG3 MET A 1 2.225 15.123 -16.054 1.00 60.34 H new ATOM 0 HE1 MET A 1 -1.073 17.177 -17.100 1.00 41.42 H new ATOM 0 HE2 MET A 1 -0.309 17.186 -15.493 1.00 41.42 H new ATOM 0 HE3 MET A 1 0.699 17.259 -16.957 1.00 41.42 H new ATOM 20 N GLY A 2 0.067 10.291 -15.658 1.00 24.10 N ATOM 21 CA GLY A 2 0.248 8.839 -15.807 1.00 75.30 C ATOM 22 C GLY A 2 -0.294 8.018 -14.633 1.00 45.11 C ATOM 23 O GLY A 2 -1.403 8.276 -14.154 1.00 2.53 O ATOM 0 H GLY A 2 -0.445 10.722 -16.427 1.00 24.10 H new ATOM 0 HA2 GLY A 2 -0.246 8.514 -16.723 1.00 75.30 H new ATOM 0 HA3 GLY A 2 1.310 8.626 -15.925 1.00 75.30 H new ATOM 27 N GLN A 3 0.510 7.046 -14.165 1.00 20.22 N ATOM 28 CA GLN A 3 0.147 6.160 -13.042 1.00 70.32 C ATOM 29 C GLN A 3 0.635 6.748 -11.706 1.00 3.53 C ATOM 30 O GLN A 3 1.673 7.412 -11.652 1.00 44.14 O ATOM 31 CB GLN A 3 0.766 4.752 -13.259 1.00 30.50 C ATOM 32 CG GLN A 3 0.401 3.706 -12.185 1.00 23.55 C ATOM 33 CD GLN A 3 1.018 2.335 -12.463 1.00 74.55 C ATOM 34 OE1 GLN A 3 0.450 1.543 -13.216 1.00 24.42 O ATOM 35 NE2 GLN A 3 2.155 2.031 -11.844 1.00 51.45 N ATOM 0 H GLN A 3 1.432 6.852 -14.555 1.00 20.22 H new ATOM 0 HA GLN A 3 -0.939 6.074 -13.005 1.00 70.32 H new ATOM 0 HB2 GLN A 3 0.448 4.378 -14.232 1.00 30.50 H new ATOM 0 HB3 GLN A 3 1.851 4.850 -13.295 1.00 30.50 H new ATOM 0 HG2 GLN A 3 0.736 4.060 -11.210 1.00 23.55 H new ATOM 0 HG3 GLN A 3 -0.683 3.608 -12.133 1.00 23.55 H new ATOM 0 HE21 GLN A 3 2.598 2.712 -11.227 1.00 51.45 H new ATOM 0 HE22 GLN A 3 2.584 1.117 -11.986 1.00 51.45 H new ATOM 44 N TRP A 4 -0.140 6.502 -10.643 1.00 62.24 N ATOM 45 CA TRP A 4 0.242 6.807 -9.254 1.00 44.14 C ATOM 46 C TRP A 4 0.385 5.482 -8.500 1.00 42.33 C ATOM 47 O TRP A 4 -0.496 4.627 -8.579 1.00 43.32 O ATOM 48 CB TRP A 4 -0.823 7.726 -8.609 1.00 34.14 C ATOM 49 CG TRP A 4 -0.902 9.067 -9.297 1.00 64.01 C ATOM 50 CD1 TRP A 4 0.026 10.069 -9.243 1.00 55.30 C ATOM 51 CD2 TRP A 4 -1.945 9.536 -10.160 1.00 33.33 C ATOM 52 NE1 TRP A 4 -0.370 11.117 -10.026 1.00 4.20 N ATOM 53 CE2 TRP A 4 -1.578 10.821 -10.590 1.00 71.10 C ATOM 54 CE3 TRP A 4 -3.153 8.997 -10.606 1.00 54.25 C ATOM 55 CZ2 TRP A 4 -2.371 11.573 -11.447 1.00 5.12 C ATOM 56 CZ3 TRP A 4 -3.942 9.746 -11.456 1.00 41.53 C ATOM 57 CH2 TRP A 4 -3.548 11.024 -11.869 1.00 23.10 C ATOM 0 H TRP A 4 -1.065 6.079 -10.722 1.00 62.24 H new ATOM 0 HA TRP A 4 1.192 7.339 -9.216 1.00 44.14 H new ATOM 0 HB2 TRP A 4 -1.797 7.238 -8.652 1.00 34.14 H new ATOM 0 HB3 TRP A 4 -0.586 7.872 -7.555 1.00 34.14 H new ATOM 0 HD1 TRP A 4 0.938 10.037 -8.666 1.00 55.30 H new ATOM 0 HE1 TRP A 4 0.153 11.981 -10.167 1.00 4.20 H new ATOM 0 HE3 TRP A 4 -3.465 8.012 -10.292 1.00 54.25 H new ATOM 0 HZ2 TRP A 4 -2.067 12.558 -11.769 1.00 5.12 H new ATOM 0 HZ3 TRP A 4 -4.878 9.339 -11.808 1.00 41.53 H new ATOM 0 HH2 TRP A 4 -4.187 11.586 -12.534 1.00 23.10 H new ATOM 68 N GLN A 5 1.498 5.313 -7.775 1.00 44.42 N ATOM 69 CA GLN A 5 1.937 3.990 -7.284 1.00 15.04 C ATOM 70 C GLN A 5 2.543 4.095 -5.869 1.00 64.23 C ATOM 71 O GLN A 5 3.356 4.979 -5.601 1.00 44.42 O ATOM 72 CB GLN A 5 2.959 3.421 -8.305 1.00 12.13 C ATOM 73 CG GLN A 5 3.596 2.068 -7.943 1.00 70.42 C ATOM 74 CD GLN A 5 4.561 1.602 -9.030 1.00 3.42 C ATOM 75 OE1 GLN A 5 5.798 2.079 -8.972 1.00 12.43 O flip ATOM 76 NE2 GLN A 5 4.184 0.861 -9.937 1.00 34.14 N flip ATOM 0 H GLN A 5 2.118 6.079 -7.511 1.00 44.42 H new ATOM 0 HA GLN A 5 1.085 3.315 -7.202 1.00 15.04 H new ATOM 0 HB2 GLN A 5 2.460 3.318 -9.269 1.00 12.13 H new ATOM 0 HB3 GLN A 5 3.757 4.152 -8.435 1.00 12.13 H new ATOM 0 HG2 GLN A 5 4.127 2.155 -6.995 1.00 70.42 H new ATOM 0 HG3 GLN A 5 2.814 1.321 -7.803 1.00 70.42 H new ATOM 0 HE21 GLN A 5 3.225 0.514 -9.947 1.00 34.14 H new ATOM 0 HE22 GLN A 5 4.831 0.593 -10.679 1.00 34.14 H new ATOM 85 N ILE A 6 2.116 3.183 -4.969 1.00 12.32 N ATOM 86 CA ILE A 6 2.629 3.087 -3.586 1.00 3.43 C ATOM 87 C ILE A 6 3.285 1.708 -3.403 1.00 41.22 C ATOM 88 O ILE A 6 2.597 0.695 -3.497 1.00 13.54 O ATOM 89 CB ILE A 6 1.476 3.216 -2.512 1.00 20.41 C ATOM 90 CG1 ILE A 6 0.496 4.369 -2.859 1.00 35.11 C ATOM 91 CG2 ILE A 6 2.062 3.403 -1.084 1.00 11.40 C ATOM 92 CD1 ILE A 6 -0.786 4.354 -2.045 1.00 24.25 C ATOM 0 H ILE A 6 1.401 2.488 -5.184 1.00 12.32 H new ATOM 0 HA ILE A 6 3.336 3.903 -3.437 1.00 3.43 H new ATOM 0 HB ILE A 6 0.910 2.285 -2.531 1.00 20.41 H new ATOM 0 HG12 ILE A 6 1.002 5.322 -2.704 1.00 35.11 H new ATOM 0 HG13 ILE A 6 0.243 4.311 -3.918 1.00 35.11 H new ATOM 0 HG21 ILE A 6 1.247 3.489 -0.365 1.00 11.40 H new ATOM 0 HG22 ILE A 6 2.681 2.543 -0.829 1.00 11.40 H new ATOM 0 HG23 ILE A 6 2.669 4.308 -1.055 1.00 11.40 H new ATOM 0 HD11 ILE A 6 -1.418 5.190 -2.346 1.00 24.25 H new ATOM 0 HD12 ILE A 6 -1.316 3.418 -2.219 1.00 24.25 H new ATOM 0 HD13 ILE A 6 -0.545 4.444 -0.986 1.00 24.25 H new ATOM 104 N LYS A 7 4.597 1.669 -3.183 1.00 72.53 N ATOM 105 CA LYS A 7 5.305 0.443 -2.800 1.00 50.43 C ATOM 106 C LYS A 7 5.561 0.471 -1.289 1.00 3.44 C ATOM 107 O LYS A 7 6.407 1.229 -0.809 1.00 52.44 O ATOM 108 CB LYS A 7 6.627 0.328 -3.585 1.00 5.33 C ATOM 109 CG LYS A 7 6.445 0.226 -5.109 1.00 54.15 C ATOM 110 CD LYS A 7 7.789 0.044 -5.844 1.00 70.40 C ATOM 111 CE LYS A 7 7.603 -0.105 -7.350 1.00 54.21 C ATOM 112 NZ LYS A 7 8.896 -0.323 -8.049 1.00 43.35 N ATOM 0 H LYS A 7 5.203 2.486 -3.264 1.00 72.53 H new ATOM 0 HA LYS A 7 4.698 -0.430 -3.041 1.00 50.43 H new ATOM 0 HB2 LYS A 7 7.247 1.196 -3.361 1.00 5.33 H new ATOM 0 HB3 LYS A 7 7.170 -0.550 -3.235 1.00 5.33 H new ATOM 0 HG2 LYS A 7 5.790 -0.614 -5.340 1.00 54.15 H new ATOM 0 HG3 LYS A 7 5.951 1.126 -5.476 1.00 54.15 H new ATOM 0 HD2 LYS A 7 8.431 0.901 -5.641 1.00 70.40 H new ATOM 0 HD3 LYS A 7 8.299 -0.836 -5.453 1.00 70.40 H new ATOM 0 HE2 LYS A 7 6.935 -0.942 -7.552 1.00 54.21 H new ATOM 0 HE3 LYS A 7 7.122 0.789 -7.747 1.00 54.21 H new ATOM 0 HZ1 LYS A 7 8.726 -0.419 -9.071 1.00 43.35 H new ATOM 0 HZ2 LYS A 7 9.524 0.488 -7.877 1.00 43.35 H new ATOM 0 HZ3 LYS A 7 9.343 -1.190 -7.689 1.00 43.35 H new ATOM 126 N ILE A 8 4.817 -0.358 -0.546 1.00 71.24 N ATOM 127 CA ILE A 8 4.912 -0.425 0.916 1.00 30.43 C ATOM 128 C ILE A 8 5.842 -1.588 1.290 1.00 14.43 C ATOM 129 O ILE A 8 5.439 -2.744 1.238 1.00 42.02 O ATOM 130 CB ILE A 8 3.479 -0.665 1.545 1.00 40.52 C ATOM 131 CG1 ILE A 8 2.491 0.464 1.116 1.00 43.30 C ATOM 132 CG2 ILE A 8 3.541 -0.803 3.090 1.00 63.45 C ATOM 133 CD1 ILE A 8 1.037 0.230 1.495 1.00 64.54 C ATOM 0 H ILE A 8 4.132 -1.001 -0.943 1.00 71.24 H new ATOM 0 HA ILE A 8 5.308 0.514 1.303 1.00 30.43 H new ATOM 0 HB ILE A 8 3.104 -1.612 1.156 1.00 40.52 H new ATOM 0 HG12 ILE A 8 2.820 1.402 1.563 1.00 43.30 H new ATOM 0 HG13 ILE A 8 2.553 0.587 0.035 1.00 43.30 H new ATOM 0 HG21 ILE A 8 2.537 -0.966 3.481 1.00 63.45 H new ATOM 0 HG22 ILE A 8 4.176 -1.649 3.355 1.00 63.45 H new ATOM 0 HG23 ILE A 8 3.954 0.109 3.520 1.00 63.45 H new ATOM 0 HD11 ILE A 8 0.432 1.070 1.153 1.00 64.54 H new ATOM 0 HD12 ILE A 8 0.682 -0.688 1.026 1.00 64.54 H new ATOM 0 HD13 ILE A 8 0.953 0.140 2.578 1.00 64.54 H new ATOM 145 N TYR A 9 7.082 -1.263 1.670 1.00 35.10 N ATOM 146 CA TYR A 9 8.066 -2.249 2.130 1.00 1.33 C ATOM 147 C TYR A 9 7.929 -2.359 3.644 1.00 21.34 C ATOM 148 O TYR A 9 8.315 -1.450 4.379 1.00 11.21 O ATOM 149 CB TYR A 9 9.506 -1.801 1.744 1.00 52.43 C ATOM 150 CG TYR A 9 9.745 -1.675 0.234 1.00 23.13 C ATOM 151 CD1 TYR A 9 9.339 -0.534 -0.469 1.00 55.45 C ATOM 152 CD2 TYR A 9 10.347 -2.705 -0.496 1.00 63.22 C ATOM 153 CE1 TYR A 9 9.545 -0.421 -1.829 1.00 64.43 C ATOM 154 CE2 TYR A 9 10.555 -2.586 -1.859 1.00 71.45 C ATOM 155 CZ TYR A 9 10.138 -1.454 -2.521 1.00 4.21 C ATOM 156 OH TYR A 9 10.328 -1.349 -3.885 1.00 4.12 O ATOM 0 H TYR A 9 7.433 -0.305 1.667 1.00 35.10 H new ATOM 0 HA TYR A 9 7.887 -3.216 1.660 1.00 1.33 H new ATOM 0 HB2 TYR A 9 9.713 -0.840 2.214 1.00 52.43 H new ATOM 0 HB3 TYR A 9 10.219 -2.516 2.154 1.00 52.43 H new ATOM 0 HD1 TYR A 9 8.856 0.272 0.063 1.00 55.45 H new ATOM 0 HD2 TYR A 9 10.654 -3.607 0.012 1.00 63.22 H new ATOM 0 HE1 TYR A 9 9.242 0.475 -2.350 1.00 64.43 H new ATOM 0 HE2 TYR A 9 11.044 -3.381 -2.403 1.00 71.45 H new ATOM 0 HH TYR A 9 10.760 -2.163 -4.219 1.00 4.12 H new ATOM 166 N SER A 10 7.330 -3.451 4.097 1.00 74.40 N ATOM 167 CA SER A 10 7.160 -3.741 5.514 1.00 11.35 C ATOM 168 C SER A 10 7.829 -5.076 5.826 1.00 41.53 C ATOM 169 O SER A 10 7.521 -6.105 5.211 1.00 15.31 O ATOM 170 CB SER A 10 5.674 -3.778 5.879 1.00 3.43 C ATOM 171 OG SER A 10 5.014 -2.585 5.496 1.00 34.14 O ATOM 0 H SER A 10 6.944 -4.169 3.484 1.00 74.40 H new ATOM 0 HA SER A 10 7.626 -2.955 6.109 1.00 11.35 H new ATOM 0 HB2 SER A 10 5.200 -4.630 5.391 1.00 3.43 H new ATOM 0 HB3 SER A 10 5.566 -3.925 6.954 1.00 3.43 H new ATOM 0 HG SER A 10 4.067 -2.642 5.742 1.00 34.14 H new ATOM 177 N GLU A 11 8.755 -5.036 6.779 1.00 4.21 N ATOM 178 CA GLU A 11 9.481 -6.219 7.267 1.00 73.22 C ATOM 179 C GLU A 11 8.568 -7.047 8.203 1.00 11.32 C ATOM 180 O GLU A 11 8.822 -8.225 8.470 1.00 31.54 O ATOM 181 CB GLU A 11 10.772 -5.735 7.969 1.00 22.14 C ATOM 182 CG GLU A 11 11.865 -6.802 8.160 1.00 11.23 C ATOM 183 CD GLU A 11 13.221 -6.175 8.517 1.00 22.21 C ATOM 184 OE1 GLU A 11 13.830 -5.544 7.624 1.00 32.43 O ATOM 185 OE2 GLU A 11 13.680 -6.295 9.672 1.00 54.24 O ATOM 0 H GLU A 11 9.031 -4.172 7.245 1.00 4.21 H new ATOM 0 HA GLU A 11 9.763 -6.877 6.445 1.00 73.22 H new ATOM 0 HB2 GLU A 11 11.191 -4.911 7.392 1.00 22.14 H new ATOM 0 HB3 GLU A 11 10.504 -5.336 8.947 1.00 22.14 H new ATOM 0 HG2 GLU A 11 11.565 -7.492 8.949 1.00 11.23 H new ATOM 0 HG3 GLU A 11 11.965 -7.387 7.246 1.00 11.23 H new ATOM 192 N ASN A 12 7.492 -6.397 8.670 1.00 74.31 N ATOM 193 CA ASN A 12 6.423 -7.011 9.470 1.00 10.21 C ATOM 194 C ASN A 12 5.163 -7.192 8.586 1.00 72.10 C ATOM 195 O ASN A 12 4.896 -6.369 7.704 1.00 0.52 O ATOM 196 CB ASN A 12 6.128 -6.103 10.696 1.00 72.22 C ATOM 197 CG ASN A 12 5.108 -6.671 11.689 1.00 54.14 C ATOM 198 OD1 ASN A 12 4.414 -5.799 12.399 1.00 13.30 O flip ATOM 199 ND2 ASN A 12 4.958 -7.878 11.827 1.00 71.42 N flip ATOM 0 H ASN A 12 7.338 -5.404 8.497 1.00 74.31 H new ATOM 0 HA ASN A 12 6.729 -7.993 9.831 1.00 10.21 H new ATOM 0 HB2 ASN A 12 7.063 -5.916 11.225 1.00 72.22 H new ATOM 0 HB3 ASN A 12 5.766 -5.139 10.337 1.00 72.22 H new ATOM 0 HD21 ASN A 12 5.508 -8.528 11.265 1.00 71.42 H new ATOM 0 HD22 ASN A 12 4.283 -8.234 12.504 1.00 71.42 H new ATOM 206 N GLU A 13 4.404 -8.267 8.830 1.00 0.43 N ATOM 207 CA GLU A 13 3.206 -8.631 8.028 1.00 72.21 C ATOM 208 C GLU A 13 1.918 -8.098 8.680 1.00 33.41 C ATOM 209 O GLU A 13 0.872 -8.020 8.020 1.00 45.02 O ATOM 210 CB GLU A 13 3.130 -10.168 7.876 1.00 72.11 C ATOM 211 CG GLU A 13 4.409 -10.800 7.298 1.00 31.31 C ATOM 212 CD GLU A 13 4.369 -12.331 7.317 1.00 32.43 C ATOM 213 OE1 GLU A 13 3.720 -12.925 6.436 1.00 41.53 O ATOM 214 OE2 GLU A 13 4.982 -12.951 8.215 1.00 21.30 O ATOM 0 H GLU A 13 4.596 -8.919 9.591 1.00 0.43 H new ATOM 0 HA GLU A 13 3.298 -8.172 7.043 1.00 72.21 H new ATOM 0 HB2 GLU A 13 2.926 -10.610 8.851 1.00 72.11 H new ATOM 0 HB3 GLU A 13 2.288 -10.419 7.230 1.00 72.11 H new ATOM 0 HG2 GLU A 13 4.549 -10.456 6.273 1.00 31.31 H new ATOM 0 HG3 GLU A 13 5.271 -10.455 7.870 1.00 31.31 H new ATOM 221 N ARG A 14 2.003 -7.751 9.987 1.00 13.41 N ATOM 222 CA ARG A 14 0.892 -7.117 10.724 1.00 53.12 C ATOM 223 C ARG A 14 0.547 -5.760 10.086 1.00 4.21 C ATOM 224 O ARG A 14 -0.623 -5.375 10.037 1.00 42.12 O ATOM 225 CB ARG A 14 1.253 -6.955 12.229 1.00 31.22 C ATOM 226 CG ARG A 14 0.186 -6.253 13.115 1.00 12.21 C ATOM 227 CD ARG A 14 -1.184 -6.963 13.121 1.00 62.22 C ATOM 228 NE ARG A 14 -1.120 -8.328 13.682 1.00 15.44 N ATOM 229 CZ ARG A 14 -2.182 -9.079 14.047 1.00 24.44 C ATOM 230 NH1 ARG A 14 -3.432 -8.620 13.923 1.00 34.44 N ATOM 231 NH2 ARG A 14 -1.980 -10.298 14.539 1.00 13.13 N ATOM 0 H ARG A 14 2.838 -7.903 10.553 1.00 13.41 H new ATOM 0 HA ARG A 14 0.014 -7.760 10.662 1.00 53.12 H new ATOM 0 HB2 ARG A 14 1.447 -7.944 12.644 1.00 31.22 H new ATOM 0 HB3 ARG A 14 2.183 -6.391 12.300 1.00 31.22 H new ATOM 0 HG2 ARG A 14 0.558 -6.194 14.138 1.00 12.21 H new ATOM 0 HG3 ARG A 14 0.053 -5.230 12.765 1.00 12.21 H new ATOM 0 HD2 ARG A 14 -1.892 -6.370 13.700 1.00 62.22 H new ATOM 0 HD3 ARG A 14 -1.567 -7.012 12.102 1.00 62.22 H new ATOM 0 HE ARG A 14 -0.194 -8.739 13.804 1.00 15.44 H new ATOM 0 HH11 ARG A 14 -3.598 -7.686 13.547 1.00 34.44 H new ATOM 0 HH12 ARG A 14 -4.220 -9.203 14.205 1.00 34.44 H new ATOM 0 HH21 ARG A 14 -1.030 -10.657 14.638 1.00 13.13 H new ATOM 0 HH22 ARG A 14 -2.775 -10.874 14.818 1.00 13.13 H new ATOM 245 N GLU A 15 1.587 -5.077 9.565 1.00 14.44 N ATOM 246 CA GLU A 15 1.443 -3.812 8.819 1.00 75.22 C ATOM 247 C GLU A 15 0.479 -4.025 7.631 1.00 42.01 C ATOM 248 O GLU A 15 -0.512 -3.308 7.480 1.00 11.21 O ATOM 249 CB GLU A 15 2.829 -3.334 8.282 1.00 24.45 C ATOM 250 CG GLU A 15 4.036 -3.556 9.216 1.00 24.13 C ATOM 251 CD GLU A 15 4.055 -2.717 10.502 1.00 64.02 C ATOM 252 OE1 GLU A 15 3.436 -3.123 11.512 1.00 62.10 O ATOM 253 OE2 GLU A 15 4.737 -1.662 10.520 1.00 0.42 O ATOM 0 H GLU A 15 2.554 -5.390 9.651 1.00 14.44 H new ATOM 0 HA GLU A 15 1.044 -3.051 9.490 1.00 75.22 H new ATOM 0 HB2 GLU A 15 3.026 -3.846 7.340 1.00 24.45 H new ATOM 0 HB3 GLU A 15 2.761 -2.269 8.058 1.00 24.45 H new ATOM 0 HG2 GLU A 15 4.067 -4.610 9.493 1.00 24.13 H new ATOM 0 HG3 GLU A 15 4.947 -3.347 8.656 1.00 24.13 H new ATOM 260 N PHE A 16 0.782 -5.084 6.847 1.00 2.23 N ATOM 261 CA PHE A 16 0.003 -5.484 5.662 1.00 30.23 C ATOM 262 C PHE A 16 -1.430 -5.863 6.015 1.00 54.03 C ATOM 263 O PHE A 16 -2.318 -5.565 5.238 1.00 21.42 O ATOM 264 CB PHE A 16 0.704 -6.657 4.910 1.00 70.41 C ATOM 265 CG PHE A 16 1.733 -6.198 3.887 1.00 51.23 C ATOM 266 CD1 PHE A 16 2.762 -5.334 4.251 1.00 12.32 C ATOM 267 CD2 PHE A 16 1.659 -6.611 2.557 1.00 24.43 C ATOM 268 CE1 PHE A 16 3.680 -4.904 3.317 1.00 42.20 C ATOM 269 CE2 PHE A 16 2.580 -6.177 1.641 1.00 31.32 C ATOM 270 CZ PHE A 16 3.587 -5.326 2.024 1.00 5.12 C ATOM 0 H PHE A 16 1.584 -5.689 7.025 1.00 2.23 H new ATOM 0 HA PHE A 16 -0.042 -4.617 5.003 1.00 30.23 H new ATOM 0 HB2 PHE A 16 1.192 -7.304 5.639 1.00 70.41 H new ATOM 0 HB3 PHE A 16 -0.053 -7.258 4.407 1.00 70.41 H new ATOM 0 HD1 PHE A 16 2.842 -4.998 5.274 1.00 12.32 H new ATOM 0 HD2 PHE A 16 0.869 -7.279 2.247 1.00 24.43 H new ATOM 0 HE1 PHE A 16 4.473 -4.232 3.610 1.00 42.20 H new ATOM 0 HE2 PHE A 16 2.514 -6.505 0.614 1.00 31.32 H new ATOM 0 HZ PHE A 16 4.310 -4.989 1.296 1.00 5.12 H new ATOM 280 N ARG A 17 -1.631 -6.503 7.191 1.00 65.33 N ATOM 281 CA ARG A 17 -2.966 -6.970 7.648 1.00 12.50 C ATOM 282 C ARG A 17 -4.064 -5.900 7.443 1.00 60.34 C ATOM 283 O ARG A 17 -5.030 -6.143 6.716 1.00 74.34 O ATOM 284 CB ARG A 17 -2.918 -7.430 9.140 1.00 61.43 C ATOM 285 CG ARG A 17 -2.417 -8.875 9.381 1.00 44.35 C ATOM 286 CD ARG A 17 -3.488 -9.948 9.065 1.00 21.14 C ATOM 287 NE ARG A 17 -3.891 -9.976 7.641 1.00 5.15 N ATOM 288 CZ ARG A 17 -5.141 -9.769 7.174 1.00 32.43 C ATOM 289 NH1 ARG A 17 -6.156 -9.521 8.000 1.00 52.32 N ATOM 290 NH2 ARG A 17 -5.360 -9.788 5.869 1.00 12.31 N ATOM 0 H ARG A 17 -0.879 -6.710 7.848 1.00 65.33 H new ATOM 0 HA ARG A 17 -3.230 -7.827 7.028 1.00 12.50 H new ATOM 0 HB2 ARG A 17 -2.274 -6.745 9.692 1.00 61.43 H new ATOM 0 HB3 ARG A 17 -3.919 -7.337 9.562 1.00 61.43 H new ATOM 0 HG2 ARG A 17 -1.537 -9.056 8.764 1.00 44.35 H new ATOM 0 HG3 ARG A 17 -2.105 -8.977 10.420 1.00 44.35 H new ATOM 0 HD2 ARG A 17 -3.103 -10.928 9.345 1.00 21.14 H new ATOM 0 HD3 ARG A 17 -4.369 -9.764 9.680 1.00 21.14 H new ATOM 0 HE ARG A 17 -3.162 -10.168 6.954 1.00 5.15 H new ATOM 0 HH11 ARG A 17 -5.997 -9.484 9.007 1.00 52.32 H new ATOM 0 HH12 ARG A 17 -7.092 -9.368 7.626 1.00 52.32 H new ATOM 0 HH21 ARG A 17 -4.588 -9.958 5.225 1.00 12.31 H new ATOM 0 HH22 ARG A 17 -6.301 -9.633 5.507 1.00 12.31 H new ATOM 304 N GLU A 18 -3.837 -4.701 8.016 1.00 75.12 N ATOM 305 CA GLU A 18 -4.782 -3.568 7.947 1.00 43.25 C ATOM 306 C GLU A 18 -4.941 -3.038 6.503 1.00 42.25 C ATOM 307 O GLU A 18 -6.044 -2.647 6.094 1.00 42.11 O ATOM 308 CB GLU A 18 -4.326 -2.435 8.903 1.00 61.45 C ATOM 309 CG GLU A 18 -4.358 -2.820 10.394 1.00 51.35 C ATOM 310 CD GLU A 18 -4.212 -1.605 11.323 1.00 44.33 C ATOM 311 OE1 GLU A 18 -3.073 -1.251 11.676 1.00 51.42 O ATOM 312 OE2 GLU A 18 -5.244 -0.993 11.685 1.00 33.23 O ATOM 0 H GLU A 18 -2.989 -4.490 8.542 1.00 75.12 H new ATOM 0 HA GLU A 18 -5.760 -3.928 8.266 1.00 43.25 H new ATOM 0 HB2 GLU A 18 -3.312 -2.136 8.638 1.00 61.45 H new ATOM 0 HB3 GLU A 18 -4.965 -1.565 8.749 1.00 61.45 H new ATOM 0 HG2 GLU A 18 -5.296 -3.329 10.613 1.00 51.35 H new ATOM 0 HG3 GLU A 18 -3.555 -3.528 10.600 1.00 51.35 H new ATOM 319 N LEU A 19 -3.833 -3.054 5.738 1.00 75.20 N ATOM 320 CA LEU A 19 -3.813 -2.588 4.334 1.00 5.45 C ATOM 321 C LEU A 19 -4.594 -3.545 3.415 1.00 12.33 C ATOM 322 O LEU A 19 -5.294 -3.090 2.522 1.00 24.14 O ATOM 323 CB LEU A 19 -2.348 -2.378 3.820 1.00 2.54 C ATOM 324 CG LEU A 19 -1.676 -1.002 4.182 1.00 30.11 C ATOM 325 CD1 LEU A 19 -2.492 0.195 3.616 1.00 41.23 C ATOM 326 CD2 LEU A 19 -1.433 -0.848 5.707 1.00 24.10 C ATOM 0 H LEU A 19 -2.929 -3.388 6.072 1.00 75.20 H new ATOM 0 HA LEU A 19 -4.313 -1.620 4.305 1.00 5.45 H new ATOM 0 HB2 LEU A 19 -1.726 -3.179 4.220 1.00 2.54 H new ATOM 0 HB3 LEU A 19 -2.347 -2.485 2.735 1.00 2.54 H new ATOM 0 HG LEU A 19 -0.697 -0.995 3.703 1.00 30.11 H new ATOM 0 HD11 LEU A 19 -2.000 1.130 3.884 1.00 41.23 H new ATOM 0 HD12 LEU A 19 -2.551 0.114 2.531 1.00 41.23 H new ATOM 0 HD13 LEU A 19 -3.498 0.181 4.036 1.00 41.23 H new ATOM 0 HD21 LEU A 19 -0.968 0.117 5.906 1.00 24.10 H new ATOM 0 HD22 LEU A 19 -2.385 -0.908 6.235 1.00 24.10 H new ATOM 0 HD23 LEU A 19 -0.776 -1.646 6.053 1.00 24.10 H new ATOM 338 N ILE A 20 -4.506 -4.863 3.665 1.00 30.14 N ATOM 339 CA ILE A 20 -5.182 -5.879 2.829 1.00 44.11 C ATOM 340 C ILE A 20 -6.708 -5.803 3.069 1.00 1.13 C ATOM 341 O ILE A 20 -7.495 -5.962 2.127 1.00 75.04 O ATOM 342 CB ILE A 20 -4.623 -7.335 3.107 1.00 45.01 C ATOM 343 CG1 ILE A 20 -3.077 -7.412 2.858 1.00 23.53 C ATOM 344 CG2 ILE A 20 -5.359 -8.406 2.265 1.00 4.14 C ATOM 345 CD1 ILE A 20 -2.610 -7.083 1.446 1.00 33.11 C ATOM 0 H ILE A 20 -3.972 -5.254 4.441 1.00 30.14 H new ATOM 0 HA ILE A 20 -4.975 -5.665 1.781 1.00 44.11 H new ATOM 0 HB ILE A 20 -4.812 -7.549 4.159 1.00 45.01 H new ATOM 0 HG12 ILE A 20 -2.583 -6.730 3.551 1.00 23.53 H new ATOM 0 HG13 ILE A 20 -2.739 -8.418 3.106 1.00 23.53 H new ATOM 0 HG21 ILE A 20 -4.945 -9.390 2.486 1.00 4.14 H new ATOM 0 HG22 ILE A 20 -6.421 -8.395 2.511 1.00 4.14 H new ATOM 0 HG23 ILE A 20 -5.230 -8.188 1.205 1.00 4.14 H new ATOM 0 HD11 ILE A 20 -1.525 -7.169 1.392 1.00 33.11 H new ATOM 0 HD12 ILE A 20 -3.064 -7.779 0.741 1.00 33.11 H new ATOM 0 HD13 ILE A 20 -2.906 -6.065 1.193 1.00 33.11 H new ATOM 357 N GLU A 21 -7.099 -5.490 4.331 1.00 31.11 N ATOM 358 CA GLU A 21 -8.506 -5.240 4.703 1.00 30.04 C ATOM 359 C GLU A 21 -9.067 -4.038 3.917 1.00 24.01 C ATOM 360 O GLU A 21 -10.162 -4.124 3.344 1.00 31.43 O ATOM 361 CB GLU A 21 -8.640 -4.976 6.226 1.00 0.10 C ATOM 362 CG GLU A 21 -8.139 -6.106 7.146 1.00 35.02 C ATOM 363 CD GLU A 21 -8.759 -7.483 6.847 1.00 42.32 C ATOM 364 OE1 GLU A 21 -9.903 -7.742 7.286 1.00 45.41 O ATOM 365 OE2 GLU A 21 -8.108 -8.320 6.173 1.00 24.45 O ATOM 0 H GLU A 21 -6.448 -5.405 5.112 1.00 31.11 H new ATOM 0 HA GLU A 21 -9.080 -6.132 4.452 1.00 30.04 H new ATOM 0 HB2 GLU A 21 -8.092 -4.065 6.468 1.00 0.10 H new ATOM 0 HB3 GLU A 21 -9.689 -4.786 6.452 1.00 0.10 H new ATOM 0 HG2 GLU A 21 -7.055 -6.180 7.055 1.00 35.02 H new ATOM 0 HG3 GLU A 21 -8.354 -5.840 8.181 1.00 35.02 H new ATOM 372 N ARG A 22 -8.297 -2.925 3.902 1.00 71.12 N ATOM 373 CA ARG A 22 -8.655 -1.707 3.147 1.00 14.32 C ATOM 374 C ARG A 22 -8.806 -2.028 1.652 1.00 61.22 C ATOM 375 O ARG A 22 -9.883 -1.877 1.091 1.00 73.50 O ATOM 376 CB ARG A 22 -7.583 -0.586 3.335 1.00 52.12 C ATOM 377 CG ARG A 22 -7.525 0.031 4.747 1.00 31.00 C ATOM 378 CD ARG A 22 -8.860 0.674 5.175 1.00 34.24 C ATOM 379 NE ARG A 22 -8.736 1.396 6.445 1.00 12.04 N ATOM 380 CZ ARG A 22 -9.755 1.831 7.199 1.00 63.40 C ATOM 381 NH1 ARG A 22 -11.033 1.622 6.851 1.00 65.14 N ATOM 382 NH2 ARG A 22 -9.481 2.542 8.281 1.00 15.52 N ATOM 0 H ARG A 22 -7.416 -2.848 4.410 1.00 71.12 H new ATOM 0 HA ARG A 22 -9.606 -1.345 3.538 1.00 14.32 H new ATOM 0 HB2 ARG A 22 -6.603 -0.998 3.094 1.00 52.12 H new ATOM 0 HB3 ARG A 22 -7.780 0.209 2.616 1.00 52.12 H new ATOM 0 HG2 ARG A 22 -7.253 -0.742 5.465 1.00 31.00 H new ATOM 0 HG3 ARG A 22 -6.738 0.785 4.777 1.00 31.00 H new ATOM 0 HD2 ARG A 22 -9.198 1.360 4.399 1.00 34.24 H new ATOM 0 HD3 ARG A 22 -9.622 -0.100 5.270 1.00 34.24 H new ATOM 0 HE ARG A 22 -7.792 1.583 6.784 1.00 12.04 H new ATOM 0 HH11 ARG A 22 -11.252 1.119 5.991 1.00 65.14 H new ATOM 0 HH12 ARG A 22 -11.786 1.966 7.446 1.00 65.14 H new ATOM 0 HH21 ARG A 22 -8.512 2.747 8.524 1.00 15.52 H new ATOM 0 HH22 ARG A 22 -10.239 2.885 8.871 1.00 15.52 H new ATOM 396 N LEU A 23 -7.723 -2.548 1.064 1.00 44.03 N ATOM 397 CA LEU A 23 -7.570 -2.749 -0.394 1.00 12.25 C ATOM 398 C LEU A 23 -8.682 -3.631 -1.020 1.00 73.15 C ATOM 399 O LEU A 23 -9.019 -3.451 -2.193 1.00 3.02 O ATOM 400 CB LEU A 23 -6.143 -3.321 -0.689 1.00 42.01 C ATOM 401 CG LEU A 23 -5.023 -2.279 -1.048 1.00 53.41 C ATOM 402 CD1 LEU A 23 -5.344 -1.543 -2.368 1.00 50.34 C ATOM 403 CD2 LEU A 23 -4.753 -1.276 0.097 1.00 51.30 C ATOM 0 H LEU A 23 -6.906 -2.850 1.595 1.00 44.03 H new ATOM 0 HA LEU A 23 -7.681 -1.776 -0.873 1.00 12.25 H new ATOM 0 HB2 LEU A 23 -5.815 -3.884 0.185 1.00 42.01 H new ATOM 0 HB3 LEU A 23 -6.225 -4.030 -1.513 1.00 42.01 H new ATOM 0 HG LEU A 23 -4.104 -2.848 -1.189 1.00 53.41 H new ATOM 0 HD11 LEU A 23 -4.550 -0.829 -2.589 1.00 50.34 H new ATOM 0 HD12 LEU A 23 -5.417 -2.267 -3.180 1.00 50.34 H new ATOM 0 HD13 LEU A 23 -6.291 -1.013 -2.268 1.00 50.34 H new ATOM 0 HD21 LEU A 23 -3.971 -0.580 -0.206 1.00 51.30 H new ATOM 0 HD22 LEU A 23 -5.665 -0.722 0.318 1.00 51.30 H new ATOM 0 HD23 LEU A 23 -4.432 -1.817 0.987 1.00 51.30 H new ATOM 415 N GLU A 24 -9.226 -4.576 -0.235 1.00 20.22 N ATOM 416 CA GLU A 24 -10.382 -5.406 -0.656 1.00 52.25 C ATOM 417 C GLU A 24 -11.695 -4.597 -0.608 1.00 42.10 C ATOM 418 O GLU A 24 -12.532 -4.705 -1.510 1.00 12.03 O ATOM 419 CB GLU A 24 -10.499 -6.668 0.244 1.00 54.50 C ATOM 420 CG GLU A 24 -9.368 -7.699 0.045 1.00 24.32 C ATOM 421 CD GLU A 24 -9.490 -8.916 0.978 1.00 12.42 C ATOM 422 OE1 GLU A 24 -10.451 -9.707 0.814 1.00 14.20 O ATOM 423 OE2 GLU A 24 -8.635 -9.093 1.875 1.00 31.12 O ATOM 0 H GLU A 24 -8.885 -4.790 0.702 1.00 20.22 H new ATOM 0 HA GLU A 24 -10.212 -5.719 -1.686 1.00 52.25 H new ATOM 0 HB2 GLU A 24 -10.510 -6.355 1.288 1.00 54.50 H new ATOM 0 HB3 GLU A 24 -11.455 -7.153 0.047 1.00 54.50 H new ATOM 0 HG2 GLU A 24 -9.374 -8.040 -0.990 1.00 24.32 H new ATOM 0 HG3 GLU A 24 -8.407 -7.213 0.215 1.00 24.32 H new ATOM 430 N GLU A 25 -11.862 -3.787 0.455 1.00 61.34 N ATOM 431 CA GLU A 25 -13.117 -3.055 0.714 1.00 63.12 C ATOM 432 C GLU A 25 -13.131 -1.639 0.102 1.00 54.31 C ATOM 433 O GLU A 25 -14.164 -0.967 0.167 1.00 70.25 O ATOM 434 CB GLU A 25 -13.410 -3.003 2.237 1.00 11.55 C ATOM 435 CG GLU A 25 -13.468 -4.392 2.928 1.00 24.31 C ATOM 436 CD GLU A 25 -14.402 -5.404 2.230 1.00 22.34 C ATOM 437 OE1 GLU A 25 -15.628 -5.148 2.156 1.00 42.43 O ATOM 438 OE2 GLU A 25 -13.920 -6.459 1.750 1.00 63.54 O ATOM 0 H GLU A 25 -11.137 -3.622 1.153 1.00 61.34 H new ATOM 0 HA GLU A 25 -13.912 -3.610 0.215 1.00 63.12 H new ATOM 0 HB2 GLU A 25 -12.641 -2.402 2.722 1.00 11.55 H new ATOM 0 HB3 GLU A 25 -14.360 -2.493 2.394 1.00 11.55 H new ATOM 0 HG2 GLU A 25 -12.462 -4.809 2.967 1.00 24.31 H new ATOM 0 HG3 GLU A 25 -13.798 -4.260 3.958 1.00 24.31 H new ATOM 445 N GLU A 26 -12.013 -1.179 -0.494 1.00 34.14 N ATOM 446 CA GLU A 26 -11.982 0.113 -1.211 1.00 63.33 C ATOM 447 C GLU A 26 -12.502 -0.107 -2.639 1.00 51.52 C ATOM 448 O GLU A 26 -11.799 -0.666 -3.491 1.00 52.33 O ATOM 449 CB GLU A 26 -10.555 0.760 -1.237 1.00 53.15 C ATOM 450 CG GLU A 26 -9.937 1.098 0.144 1.00 2.14 C ATOM 451 CD GLU A 26 -10.905 1.793 1.125 1.00 45.21 C ATOM 452 OE1 GLU A 26 -11.168 3.007 0.967 1.00 53.31 O ATOM 453 OE2 GLU A 26 -11.409 1.125 2.064 1.00 41.10 O ATOM 0 H GLU A 26 -11.124 -1.679 -0.494 1.00 34.14 H new ATOM 0 HA GLU A 26 -12.622 0.815 -0.675 1.00 63.33 H new ATOM 0 HB2 GLU A 26 -9.880 0.082 -1.759 1.00 53.15 H new ATOM 0 HB3 GLU A 26 -10.604 1.676 -1.825 1.00 53.15 H new ATOM 0 HG2 GLU A 26 -9.575 0.177 0.601 1.00 2.14 H new ATOM 0 HG3 GLU A 26 -9.070 1.741 -0.008 1.00 2.14 H new ATOM 460 N ARG A 27 -13.762 0.308 -2.874 1.00 21.05 N ATOM 461 CA ARG A 27 -14.443 0.169 -4.180 1.00 35.14 C ATOM 462 C ARG A 27 -13.776 1.097 -5.238 1.00 42.30 C ATOM 463 O ARG A 27 -13.208 2.130 -4.875 1.00 24.44 O ATOM 464 CB ARG A 27 -15.983 0.474 -4.057 1.00 12.53 C ATOM 465 CG ARG A 27 -16.862 -0.651 -3.426 1.00 31.45 C ATOM 466 CD ARG A 27 -16.468 -1.012 -1.989 1.00 14.45 C ATOM 467 NE ARG A 27 -17.357 -2.023 -1.366 1.00 63.23 N ATOM 468 CZ ARG A 27 -16.975 -3.247 -0.949 1.00 5.05 C ATOM 469 NH1 ARG A 27 -15.726 -3.662 -1.097 1.00 54.32 N ATOM 470 NH2 ARG A 27 -17.848 -4.038 -0.345 1.00 24.32 N ATOM 0 H ARG A 27 -14.341 0.752 -2.161 1.00 21.05 H new ATOM 0 HA ARG A 27 -14.338 -0.865 -4.509 1.00 35.14 H new ATOM 0 HB2 ARG A 27 -16.106 1.379 -3.462 1.00 12.53 H new ATOM 0 HB3 ARG A 27 -16.369 0.692 -5.053 1.00 12.53 H new ATOM 0 HG2 ARG A 27 -17.905 -0.334 -3.438 1.00 31.45 H new ATOM 0 HG3 ARG A 27 -16.793 -1.544 -4.047 1.00 31.45 H new ATOM 0 HD2 ARG A 27 -15.445 -1.388 -1.985 1.00 14.45 H new ATOM 0 HD3 ARG A 27 -16.477 -0.108 -1.380 1.00 14.45 H new ATOM 0 HE ARG A 27 -18.338 -1.772 -1.243 1.00 63.23 H new ATOM 0 HH11 ARG A 27 -15.034 -3.052 -1.533 1.00 54.32 H new ATOM 0 HH12 ARG A 27 -15.456 -4.591 -0.775 1.00 54.32 H new ATOM 0 HH21 ARG A 27 -18.806 -3.721 -0.196 1.00 24.32 H new ATOM 0 HH22 ARG A 27 -17.563 -4.965 -0.028 1.00 24.32 H new ATOM 484 N PRO A 28 -13.824 0.754 -6.571 1.00 62.21 N ATOM 485 CA PRO A 28 -14.420 -0.505 -7.094 1.00 64.43 C ATOM 486 C PRO A 28 -13.472 -1.736 -6.985 1.00 32.41 C ATOM 487 O PRO A 28 -13.860 -2.773 -6.435 1.00 34.01 O ATOM 488 CB PRO A 28 -14.769 -0.140 -8.555 1.00 71.12 C ATOM 489 CG PRO A 28 -13.841 0.982 -8.947 1.00 33.34 C ATOM 490 CD PRO A 28 -13.319 1.626 -7.669 1.00 62.14 C ATOM 0 HA PRO A 28 -15.286 -0.828 -6.515 1.00 64.43 H new ATOM 0 HB2 PRO A 28 -14.638 -1.000 -9.212 1.00 71.12 H new ATOM 0 HB3 PRO A 28 -15.811 0.170 -8.640 1.00 71.12 H new ATOM 0 HG2 PRO A 28 -13.015 0.602 -9.548 1.00 33.34 H new ATOM 0 HG3 PRO A 28 -14.367 1.716 -9.557 1.00 33.34 H new ATOM 0 HD2 PRO A 28 -12.230 1.675 -7.667 1.00 62.14 H new ATOM 0 HD3 PRO A 28 -13.684 2.648 -7.563 1.00 62.14 H new ATOM 498 N SER A 29 -12.236 -1.591 -7.485 1.00 64.25 N ATOM 499 CA SER A 29 -11.218 -2.665 -7.510 1.00 10.54 C ATOM 500 C SER A 29 -9.824 -2.020 -7.621 1.00 63.30 C ATOM 501 O SER A 29 -9.328 -1.772 -8.731 1.00 73.32 O ATOM 502 CB SER A 29 -11.464 -3.660 -8.689 1.00 11.11 C ATOM 503 OG SER A 29 -12.708 -4.344 -8.554 1.00 22.32 O ATOM 0 H SER A 29 -11.906 -0.715 -7.890 1.00 64.25 H new ATOM 0 HA SER A 29 -11.286 -3.243 -6.588 1.00 10.54 H new ATOM 0 HB2 SER A 29 -11.449 -3.116 -9.633 1.00 11.11 H new ATOM 0 HB3 SER A 29 -10.652 -4.386 -8.727 1.00 11.11 H new ATOM 0 HG SER A 29 -12.828 -4.956 -9.310 1.00 22.32 H new ATOM 509 N VAL A 30 -9.206 -1.727 -6.462 1.00 42.01 N ATOM 510 CA VAL A 30 -7.908 -1.029 -6.407 1.00 24.04 C ATOM 511 C VAL A 30 -6.783 -2.062 -6.535 1.00 73.14 C ATOM 512 O VAL A 30 -6.651 -2.937 -5.677 1.00 12.55 O ATOM 513 CB VAL A 30 -7.707 -0.208 -5.079 1.00 45.10 C ATOM 514 CG1 VAL A 30 -6.421 0.651 -5.156 1.00 12.13 C ATOM 515 CG2 VAL A 30 -8.949 0.645 -4.749 1.00 30.34 C ATOM 0 H VAL A 30 -9.587 -1.964 -5.546 1.00 42.01 H new ATOM 0 HA VAL A 30 -7.887 -0.316 -7.231 1.00 24.04 H new ATOM 0 HB VAL A 30 -7.583 -0.916 -4.259 1.00 45.10 H new ATOM 0 HG11 VAL A 30 -6.301 1.210 -4.228 1.00 12.13 H new ATOM 0 HG12 VAL A 30 -5.558 0.002 -5.302 1.00 12.13 H new ATOM 0 HG13 VAL A 30 -6.498 1.347 -5.992 1.00 12.13 H new ATOM 0 HG21 VAL A 30 -8.776 1.199 -3.826 1.00 30.34 H new ATOM 0 HG22 VAL A 30 -9.136 1.346 -5.563 1.00 30.34 H new ATOM 0 HG23 VAL A 30 -9.815 -0.006 -4.625 1.00 30.34 H new ATOM 525 N GLN A 31 -5.991 -1.945 -7.613 1.00 3.13 N ATOM 526 CA GLN A 31 -4.963 -2.935 -7.979 1.00 44.13 C ATOM 527 C GLN A 31 -3.791 -2.909 -6.979 1.00 64.40 C ATOM 528 O GLN A 31 -3.202 -1.856 -6.735 1.00 71.55 O ATOM 529 CB GLN A 31 -4.474 -2.667 -9.431 1.00 23.12 C ATOM 530 CG GLN A 31 -5.620 -2.660 -10.474 1.00 5.42 C ATOM 531 CD GLN A 31 -6.366 -4.003 -10.581 1.00 32.52 C ATOM 532 OE1 GLN A 31 -5.774 -5.077 -10.440 1.00 4.43 O ATOM 533 NE2 GLN A 31 -7.672 -3.955 -10.805 1.00 71.41 N ATOM 0 H GLN A 31 -6.045 -1.157 -8.259 1.00 3.13 H new ATOM 0 HA GLN A 31 -5.400 -3.933 -7.937 1.00 44.13 H new ATOM 0 HB2 GLN A 31 -3.959 -1.707 -9.462 1.00 23.12 H new ATOM 0 HB3 GLN A 31 -3.745 -3.429 -9.708 1.00 23.12 H new ATOM 0 HG2 GLN A 31 -6.333 -1.878 -10.213 1.00 5.42 H new ATOM 0 HG3 GLN A 31 -5.209 -2.403 -11.451 1.00 5.42 H new ATOM 0 HE21 GLN A 31 -8.137 -3.054 -10.918 1.00 71.41 H new ATOM 0 HE22 GLN A 31 -8.211 -4.819 -10.864 1.00 71.41 H new ATOM 542 N TYR A 32 -3.488 -4.084 -6.397 1.00 71.54 N ATOM 543 CA TYR A 32 -2.406 -4.263 -5.416 1.00 63.51 C ATOM 544 C TYR A 32 -1.893 -5.708 -5.491 1.00 3.21 C ATOM 545 O TYR A 32 -2.661 -6.630 -5.802 1.00 54.32 O ATOM 546 CB TYR A 32 -2.900 -3.938 -3.977 1.00 23.11 C ATOM 547 CG TYR A 32 -3.898 -4.947 -3.361 1.00 62.13 C ATOM 548 CD1 TYR A 32 -5.205 -5.072 -3.844 1.00 1.33 C ATOM 549 CD2 TYR A 32 -3.530 -5.761 -2.284 1.00 41.53 C ATOM 550 CE1 TYR A 32 -6.101 -5.965 -3.275 1.00 15.51 C ATOM 551 CE2 TYR A 32 -4.421 -6.654 -1.716 1.00 35.02 C ATOM 552 CZ TYR A 32 -5.700 -6.755 -2.212 1.00 33.32 C ATOM 553 OH TYR A 32 -6.586 -7.639 -1.636 1.00 13.10 O ATOM 0 H TYR A 32 -3.995 -4.946 -6.599 1.00 71.54 H new ATOM 0 HA TYR A 32 -1.595 -3.574 -5.652 1.00 63.51 H new ATOM 0 HB2 TYR A 32 -2.031 -3.870 -3.322 1.00 23.11 H new ATOM 0 HB3 TYR A 32 -3.369 -2.954 -3.988 1.00 23.11 H new ATOM 0 HD1 TYR A 32 -5.523 -4.461 -4.676 1.00 1.33 H new ATOM 0 HD2 TYR A 32 -2.528 -5.691 -1.887 1.00 41.53 H new ATOM 0 HE1 TYR A 32 -7.107 -6.043 -3.660 1.00 15.51 H new ATOM 0 HE2 TYR A 32 -4.113 -7.271 -0.885 1.00 35.02 H new ATOM 0 HH TYR A 32 -6.143 -8.116 -0.903 1.00 13.10 H new ATOM 563 N THR A 33 -0.595 -5.906 -5.217 1.00 51.25 N ATOM 564 CA THR A 33 0.030 -7.240 -5.212 1.00 71.23 C ATOM 565 C THR A 33 1.157 -7.293 -4.160 1.00 54.23 C ATOM 566 O THR A 33 1.967 -6.364 -4.058 1.00 54.43 O ATOM 567 CB THR A 33 0.584 -7.600 -6.637 1.00 12.23 C ATOM 568 OG1 THR A 33 -0.488 -7.597 -7.598 1.00 13.11 O ATOM 569 CG2 THR A 33 1.293 -8.967 -6.677 1.00 42.22 C ATOM 0 H THR A 33 0.051 -5.149 -4.993 1.00 51.25 H new ATOM 0 HA THR A 33 -0.728 -7.978 -4.949 1.00 71.23 H new ATOM 0 HB THR A 33 1.323 -6.838 -6.885 1.00 12.23 H new ATOM 0 HG1 THR A 33 -0.134 -7.821 -8.484 1.00 13.11 H new ATOM 0 HG21 THR A 33 1.654 -9.160 -7.687 1.00 42.22 H new ATOM 0 HG22 THR A 33 2.136 -8.960 -5.986 1.00 42.22 H new ATOM 0 HG23 THR A 33 0.592 -9.749 -6.387 1.00 42.22 H new ATOM 577 N GLU A 34 1.172 -8.384 -3.372 1.00 2.13 N ATOM 578 CA GLU A 34 2.211 -8.663 -2.368 1.00 42.03 C ATOM 579 C GLU A 34 3.361 -9.441 -3.063 1.00 31.22 C ATOM 580 O GLU A 34 3.148 -10.538 -3.592 1.00 1.15 O ATOM 581 CB GLU A 34 1.576 -9.484 -1.184 1.00 51.25 C ATOM 582 CG GLU A 34 2.356 -9.482 0.160 1.00 40.23 C ATOM 583 CD GLU A 34 3.755 -10.128 0.108 1.00 34.21 C ATOM 584 OE1 GLU A 34 3.851 -11.374 0.158 1.00 22.23 O ATOM 585 OE2 GLU A 34 4.759 -9.393 0.015 1.00 55.22 O ATOM 0 H GLU A 34 0.452 -9.105 -3.417 1.00 2.13 H new ATOM 0 HA GLU A 34 2.619 -7.742 -1.950 1.00 42.03 H new ATOM 0 HB2 GLU A 34 0.575 -9.095 -0.998 1.00 51.25 H new ATOM 0 HB3 GLU A 34 1.461 -10.518 -1.510 1.00 51.25 H new ATOM 0 HG2 GLU A 34 2.462 -8.451 0.499 1.00 40.23 H new ATOM 0 HG3 GLU A 34 1.760 -10.004 0.908 1.00 40.23 H new ATOM 592 N THR A 35 4.554 -8.841 -3.078 1.00 73.42 N ATOM 593 CA THR A 35 5.785 -9.447 -3.603 1.00 1.30 C ATOM 594 C THR A 35 6.803 -9.530 -2.459 1.00 31.20 C ATOM 595 O THR A 35 7.108 -8.522 -1.830 1.00 53.14 O ATOM 596 CB THR A 35 6.357 -8.591 -4.781 1.00 24.33 C ATOM 597 OG1 THR A 35 5.369 -8.501 -5.819 1.00 42.22 O ATOM 598 CG2 THR A 35 7.660 -9.164 -5.369 1.00 51.30 C ATOM 0 H THR A 35 4.696 -7.898 -2.717 1.00 73.42 H new ATOM 0 HA THR A 35 5.574 -10.444 -3.989 1.00 1.30 H new ATOM 0 HB THR A 35 6.596 -7.607 -4.377 1.00 24.33 H new ATOM 0 HG1 THR A 35 5.721 -7.964 -6.560 1.00 42.22 H new ATOM 0 HG21 THR A 35 8.005 -8.524 -6.182 1.00 51.30 H new ATOM 0 HG22 THR A 35 8.423 -9.205 -4.591 1.00 51.30 H new ATOM 0 HG23 THR A 35 7.476 -10.168 -5.751 1.00 51.30 H new ATOM 606 N THR A 36 7.283 -10.734 -2.148 1.00 70.13 N ATOM 607 CA THR A 36 8.255 -10.927 -1.070 1.00 14.53 C ATOM 608 C THR A 36 9.678 -10.833 -1.648 1.00 61.13 C ATOM 609 O THR A 36 10.144 -11.751 -2.336 1.00 11.42 O ATOM 610 CB THR A 36 8.014 -12.290 -0.356 1.00 60.11 C ATOM 611 OG1 THR A 36 6.619 -12.396 0.000 1.00 14.22 O ATOM 612 CG2 THR A 36 8.884 -12.430 0.910 1.00 60.22 C ATOM 0 H THR A 36 7.014 -11.593 -2.628 1.00 70.13 H new ATOM 0 HA THR A 36 8.133 -10.145 -0.321 1.00 14.53 H new ATOM 0 HB THR A 36 8.293 -13.090 -1.041 1.00 60.11 H new ATOM 0 HG1 THR A 36 6.309 -13.311 -0.162 1.00 14.22 H new ATOM 0 HG21 THR A 36 8.689 -13.393 1.381 1.00 60.22 H new ATOM 0 HG22 THR A 36 9.937 -12.367 0.636 1.00 60.22 H new ATOM 0 HG23 THR A 36 8.642 -11.629 1.608 1.00 60.22 H new ATOM 620 N ARG A 37 10.338 -9.694 -1.409 1.00 20.03 N ATOM 621 CA ARG A 37 11.684 -9.410 -1.932 1.00 23.24 C ATOM 622 C ARG A 37 12.618 -9.064 -0.759 1.00 22.31 C ATOM 623 O ARG A 37 12.284 -8.206 0.067 1.00 64.52 O ATOM 624 CB ARG A 37 11.618 -8.261 -2.971 1.00 70.12 C ATOM 625 CG ARG A 37 12.937 -8.003 -3.729 1.00 32.54 C ATOM 626 CD ARG A 37 12.771 -6.994 -4.881 1.00 2.24 C ATOM 627 NE ARG A 37 11.717 -7.390 -5.846 1.00 25.21 N ATOM 628 CZ ARG A 37 11.838 -8.329 -6.810 1.00 32.52 C ATOM 629 NH1 ARG A 37 12.964 -9.021 -6.970 1.00 33.02 N ATOM 630 NH2 ARG A 37 10.814 -8.566 -7.624 1.00 63.41 N ATOM 0 H ARG A 37 9.953 -8.937 -0.844 1.00 20.03 H new ATOM 0 HA ARG A 37 12.082 -10.288 -2.440 1.00 23.24 H new ATOM 0 HB2 ARG A 37 10.836 -8.489 -3.696 1.00 70.12 H new ATOM 0 HB3 ARG A 37 11.322 -7.344 -2.461 1.00 70.12 H new ATOM 0 HG2 ARG A 37 13.686 -7.631 -3.030 1.00 32.54 H new ATOM 0 HG3 ARG A 37 13.313 -8.945 -4.128 1.00 32.54 H new ATOM 0 HD2 ARG A 37 12.529 -6.015 -4.468 1.00 2.24 H new ATOM 0 HD3 ARG A 37 13.720 -6.892 -5.408 1.00 2.24 H new ATOM 0 HE ARG A 37 10.820 -6.910 -5.776 1.00 25.21 H new ATOM 0 HH11 ARG A 37 13.761 -8.848 -6.357 1.00 33.02 H new ATOM 0 HH12 ARG A 37 13.030 -9.725 -7.705 1.00 33.02 H new ATOM 0 HH21 ARG A 37 9.946 -8.041 -7.518 1.00 63.41 H new ATOM 0 HH22 ARG A 37 10.896 -9.273 -8.355 1.00 63.41 H new ATOM 644 N ASN A 38 13.779 -9.764 -0.706 1.00 73.44 N ATOM 645 CA ASN A 38 14.777 -9.682 0.401 1.00 40.44 C ATOM 646 C ASN A 38 14.193 -10.238 1.717 1.00 50.44 C ATOM 647 O ASN A 38 14.657 -9.896 2.808 1.00 2.34 O ATOM 648 CB ASN A 38 15.329 -8.233 0.589 1.00 11.02 C ATOM 649 CG ASN A 38 16.082 -7.712 -0.635 1.00 15.43 C ATOM 650 OD1 ASN A 38 15.378 -7.056 -1.541 1.00 63.43 O flip ATOM 651 ND2 ASN A 38 17.294 -7.902 -0.764 1.00 22.12 N flip ATOM 0 H ASN A 38 14.057 -10.414 -1.442 1.00 73.44 H new ATOM 0 HA ASN A 38 15.624 -10.308 0.118 1.00 40.44 H new ATOM 0 HB2 ASN A 38 14.500 -7.561 0.811 1.00 11.02 H new ATOM 0 HB3 ASN A 38 15.994 -8.214 1.452 1.00 11.02 H new ATOM 0 HD21 ASN A 38 17.809 -8.412 -0.047 1.00 22.12 H new ATOM 0 HD22 ASN A 38 17.781 -7.549 -1.588 1.00 22.12 H new ATOM 658 N GLY A 39 13.182 -11.125 1.593 1.00 44.35 N ATOM 659 CA GLY A 39 12.463 -11.677 2.748 1.00 15.30 C ATOM 660 C GLY A 39 11.416 -10.722 3.320 1.00 55.24 C ATOM 661 O GLY A 39 10.611 -11.113 4.173 1.00 55.52 O ATOM 0 H GLY A 39 12.848 -11.473 0.694 1.00 44.35 H new ATOM 0 HA2 GLY A 39 11.975 -12.606 2.453 1.00 15.30 H new ATOM 0 HA3 GLY A 39 13.181 -11.928 3.529 1.00 15.30 H new ATOM 665 N ARG A 40 11.424 -9.465 2.832 1.00 5.21 N ATOM 666 CA ARG A 40 10.510 -8.406 3.273 1.00 35.22 C ATOM 667 C ARG A 40 9.291 -8.392 2.347 1.00 35.32 C ATOM 668 O ARG A 40 9.410 -8.689 1.153 1.00 40.40 O ATOM 669 CB ARG A 40 11.226 -7.028 3.219 1.00 71.10 C ATOM 670 CG ARG A 40 12.536 -6.941 4.037 1.00 24.14 C ATOM 671 CD ARG A 40 13.262 -5.596 3.848 1.00 50.12 C ATOM 672 NE ARG A 40 14.555 -5.551 4.567 1.00 5.23 N ATOM 673 CZ ARG A 40 15.769 -5.409 3.996 1.00 0.25 C ATOM 674 NH1 ARG A 40 15.907 -5.294 2.671 1.00 73.13 N ATOM 675 NH2 ARG A 40 16.846 -5.361 4.770 1.00 51.41 N ATOM 0 H ARG A 40 12.077 -9.158 2.111 1.00 5.21 H new ATOM 0 HA ARG A 40 10.196 -8.596 4.299 1.00 35.22 H new ATOM 0 HB2 ARG A 40 11.448 -6.791 2.179 1.00 71.10 H new ATOM 0 HB3 ARG A 40 10.538 -6.263 3.580 1.00 71.10 H new ATOM 0 HG2 ARG A 40 12.310 -7.083 5.094 1.00 24.14 H new ATOM 0 HG3 ARG A 40 13.200 -7.753 3.741 1.00 24.14 H new ATOM 0 HD2 ARG A 40 13.433 -5.424 2.785 1.00 50.12 H new ATOM 0 HD3 ARG A 40 12.623 -4.787 4.203 1.00 50.12 H new ATOM 0 HE ARG A 40 14.526 -5.635 5.583 1.00 5.23 H new ATOM 0 HH11 ARG A 40 15.084 -5.313 2.069 1.00 73.13 H new ATOM 0 HH12 ARG A 40 16.835 -5.188 2.262 1.00 73.13 H new ATOM 0 HH21 ARG A 40 16.750 -5.431 5.783 1.00 51.41 H new ATOM 0 HH22 ARG A 40 17.770 -5.254 4.352 1.00 51.41 H new ATOM 689 N ARG A 41 8.127 -8.038 2.897 1.00 22.32 N ATOM 690 CA ARG A 41 6.887 -7.922 2.127 1.00 33.22 C ATOM 691 C ARG A 41 6.857 -6.539 1.437 1.00 70.11 C ATOM 692 O ARG A 41 7.248 -5.542 2.062 1.00 70.01 O ATOM 693 CB ARG A 41 5.667 -8.091 3.080 1.00 14.33 C ATOM 694 CG ARG A 41 5.671 -9.363 3.966 1.00 42.12 C ATOM 695 CD ARG A 41 5.729 -10.679 3.167 1.00 32.11 C ATOM 696 NE ARG A 41 5.525 -11.864 4.030 1.00 41.41 N ATOM 697 CZ ARG A 41 5.733 -13.148 3.667 1.00 52.33 C ATOM 698 NH1 ARG A 41 6.163 -13.461 2.455 1.00 0.53 N ATOM 699 NH2 ARG A 41 5.494 -14.125 4.529 1.00 62.33 N ATOM 0 H ARG A 41 8.018 -7.824 3.888 1.00 22.32 H new ATOM 0 HA ARG A 41 6.838 -8.700 1.366 1.00 33.22 H new ATOM 0 HB2 ARG A 41 5.616 -7.218 3.731 1.00 14.33 H new ATOM 0 HB3 ARG A 41 4.758 -8.094 2.478 1.00 14.33 H new ATOM 0 HG2 ARG A 41 6.526 -9.321 4.641 1.00 42.12 H new ATOM 0 HG3 ARG A 41 4.775 -9.365 4.586 1.00 42.12 H new ATOM 0 HD2 ARG A 41 4.967 -10.663 2.388 1.00 32.11 H new ATOM 0 HD3 ARG A 41 6.695 -10.757 2.667 1.00 32.11 H new ATOM 0 HE ARG A 41 5.199 -11.696 4.982 1.00 41.41 H new ATOM 0 HH11 ARG A 41 6.344 -12.725 1.772 1.00 0.53 H new ATOM 0 HH12 ARG A 41 6.313 -14.438 2.204 1.00 0.53 H new ATOM 0 HH21 ARG A 41 5.153 -13.907 5.465 1.00 62.33 H new ATOM 0 HH22 ARG A 41 5.651 -15.095 4.256 1.00 62.33 H new ATOM 713 N GLN A 42 6.418 -6.467 0.162 1.00 54.04 N ATOM 714 CA GLN A 42 6.221 -5.170 -0.531 1.00 70.40 C ATOM 715 C GLN A 42 4.885 -5.173 -1.300 1.00 23.43 C ATOM 716 O GLN A 42 4.604 -6.074 -2.094 1.00 52.41 O ATOM 717 CB GLN A 42 7.415 -4.782 -1.454 1.00 21.34 C ATOM 718 CG GLN A 42 7.618 -5.656 -2.701 1.00 41.01 C ATOM 719 CD GLN A 42 8.691 -5.135 -3.646 1.00 10.14 C ATOM 720 OE1 GLN A 42 9.864 -5.496 -3.539 1.00 62.22 O ATOM 721 NE2 GLN A 42 8.298 -4.267 -4.570 1.00 64.12 N ATOM 0 H GLN A 42 6.194 -7.283 -0.407 1.00 54.04 H new ATOM 0 HA GLN A 42 6.181 -4.398 0.237 1.00 70.40 H new ATOM 0 HB2 GLN A 42 7.277 -3.750 -1.777 1.00 21.34 H new ATOM 0 HB3 GLN A 42 8.330 -4.811 -0.862 1.00 21.34 H new ATOM 0 HG2 GLN A 42 7.882 -6.666 -2.387 1.00 41.01 H new ATOM 0 HG3 GLN A 42 6.674 -5.727 -3.241 1.00 41.01 H new ATOM 0 HE21 GLN A 42 7.317 -3.992 -4.627 1.00 64.12 H new ATOM 0 HE22 GLN A 42 8.977 -3.875 -5.223 1.00 64.12 H new ATOM 730 N LEU A 43 4.044 -4.164 -1.021 1.00 2.02 N ATOM 731 CA LEU A 43 2.719 -4.031 -1.637 1.00 50.30 C ATOM 732 C LEU A 43 2.820 -2.979 -2.735 1.00 3.32 C ATOM 733 O LEU A 43 2.962 -1.797 -2.433 1.00 15.35 O ATOM 734 CB LEU A 43 1.673 -3.612 -0.542 1.00 52.32 C ATOM 735 CG LEU A 43 0.185 -4.031 -0.781 1.00 40.22 C ATOM 736 CD1 LEU A 43 0.060 -5.551 -1.004 1.00 53.25 C ATOM 737 CD2 LEU A 43 -0.717 -3.559 0.388 1.00 42.33 C ATOM 0 H LEU A 43 4.266 -3.418 -0.361 1.00 2.02 H new ATOM 0 HA LEU A 43 2.388 -4.975 -2.069 1.00 50.30 H new ATOM 0 HB2 LEU A 43 1.994 -4.033 0.411 1.00 52.32 H new ATOM 0 HB3 LEU A 43 1.707 -2.527 -0.439 1.00 52.32 H new ATOM 0 HG LEU A 43 -0.159 -3.538 -1.690 1.00 40.22 H new ATOM 0 HD11 LEU A 43 -0.986 -5.810 -1.167 1.00 53.25 H new ATOM 0 HD12 LEU A 43 0.646 -5.840 -1.877 1.00 53.25 H new ATOM 0 HD13 LEU A 43 0.432 -6.079 -0.126 1.00 53.25 H new ATOM 0 HD21 LEU A 43 -1.747 -3.862 0.198 1.00 42.33 H new ATOM 0 HD22 LEU A 43 -0.372 -4.009 1.319 1.00 42.33 H new ATOM 0 HD23 LEU A 43 -0.668 -2.473 0.470 1.00 42.33 H new ATOM 749 N THR A 44 2.783 -3.414 -4.001 1.00 3.53 N ATOM 750 CA THR A 44 2.792 -2.503 -5.150 1.00 22.24 C ATOM 751 C THR A 44 1.333 -2.200 -5.519 1.00 12.23 C ATOM 752 O THR A 44 0.626 -3.050 -6.076 1.00 31.12 O ATOM 753 CB THR A 44 3.573 -3.122 -6.356 1.00 70.24 C ATOM 754 OG1 THR A 44 4.896 -3.505 -5.923 1.00 43.11 O ATOM 755 CG2 THR A 44 3.691 -2.149 -7.550 1.00 23.24 C ATOM 0 H THR A 44 2.746 -4.401 -4.255 1.00 3.53 H new ATOM 0 HA THR A 44 3.308 -1.578 -4.893 1.00 22.24 H new ATOM 0 HB THR A 44 3.009 -3.991 -6.696 1.00 70.24 H new ATOM 0 HG1 THR A 44 5.387 -3.895 -6.676 1.00 43.11 H new ATOM 0 HG21 THR A 44 4.242 -2.630 -8.358 1.00 23.24 H new ATOM 0 HG22 THR A 44 2.694 -1.880 -7.900 1.00 23.24 H new ATOM 0 HG23 THR A 44 4.220 -1.250 -7.235 1.00 23.24 H new ATOM 763 N ILE A 45 0.892 -0.990 -5.156 1.00 20.34 N ATOM 764 CA ILE A 45 -0.491 -0.539 -5.304 1.00 33.30 C ATOM 765 C ILE A 45 -0.550 0.455 -6.469 1.00 33.24 C ATOM 766 O ILE A 45 -0.026 1.566 -6.373 1.00 12.34 O ATOM 767 CB ILE A 45 -0.999 0.137 -3.975 1.00 32.22 C ATOM 768 CG1 ILE A 45 -0.840 -0.856 -2.782 1.00 30.53 C ATOM 769 CG2 ILE A 45 -2.464 0.635 -4.111 1.00 13.31 C ATOM 770 CD1 ILE A 45 -1.165 -0.276 -1.424 1.00 3.24 C ATOM 0 H ILE A 45 1.502 -0.284 -4.743 1.00 20.34 H new ATOM 0 HA ILE A 45 -1.139 -1.391 -5.509 1.00 33.30 H new ATOM 0 HB ILE A 45 -0.386 1.017 -3.778 1.00 32.22 H new ATOM 0 HG12 ILE A 45 -1.485 -1.717 -2.957 1.00 30.53 H new ATOM 0 HG13 ILE A 45 0.186 -1.223 -2.768 1.00 30.53 H new ATOM 0 HG21 ILE A 45 -2.780 1.095 -3.175 1.00 13.31 H new ATOM 0 HG22 ILE A 45 -2.526 1.368 -4.915 1.00 13.31 H new ATOM 0 HG23 ILE A 45 -3.115 -0.209 -4.338 1.00 13.31 H new ATOM 0 HD11 ILE A 45 -1.025 -1.040 -0.659 1.00 3.24 H new ATOM 0 HD12 ILE A 45 -0.504 0.566 -1.220 1.00 3.24 H new ATOM 0 HD13 ILE A 45 -2.200 0.064 -1.412 1.00 3.24 H new ATOM 782 N ARG A 46 -1.154 0.019 -7.574 1.00 13.30 N ATOM 783 CA ARG A 46 -1.284 0.813 -8.796 1.00 21.12 C ATOM 784 C ARG A 46 -2.682 1.448 -8.815 1.00 50.33 C ATOM 785 O ARG A 46 -3.696 0.741 -8.836 1.00 31.33 O ATOM 786 CB ARG A 46 -1.047 -0.115 -10.016 1.00 63.24 C ATOM 787 CG ARG A 46 0.318 -0.851 -9.973 1.00 61.00 C ATOM 788 CD ARG A 46 0.498 -1.844 -11.131 1.00 12.24 C ATOM 789 NE ARG A 46 0.412 -1.176 -12.438 1.00 64.21 N ATOM 790 CZ ARG A 46 0.768 -1.701 -13.621 1.00 53.54 C ATOM 791 NH1 ARG A 46 1.253 -2.940 -13.718 1.00 50.35 N ATOM 792 NH2 ARG A 46 0.651 -0.960 -14.711 1.00 71.50 N ATOM 0 H ARG A 46 -1.573 -0.908 -7.647 1.00 13.30 H new ATOM 0 HA ARG A 46 -0.547 1.615 -8.836 1.00 21.12 H new ATOM 0 HB2 ARG A 46 -1.848 -0.853 -10.063 1.00 63.24 H new ATOM 0 HB3 ARG A 46 -1.104 0.476 -10.930 1.00 63.24 H new ATOM 0 HG2 ARG A 46 1.122 -0.116 -10.003 1.00 61.00 H new ATOM 0 HG3 ARG A 46 0.408 -1.384 -9.027 1.00 61.00 H new ATOM 0 HD2 ARG A 46 1.464 -2.340 -11.038 1.00 12.24 H new ATOM 0 HD3 ARG A 46 -0.265 -2.619 -11.068 1.00 12.24 H new ATOM 0 HE ARG A 46 0.047 -0.223 -12.447 1.00 64.21 H new ATOM 0 HH11 ARG A 46 1.361 -3.512 -12.881 1.00 50.35 H new ATOM 0 HH12 ARG A 46 1.516 -3.315 -14.629 1.00 50.35 H new ATOM 0 HH21 ARG A 46 0.295 -0.006 -14.644 1.00 71.50 H new ATOM 0 HH22 ARG A 46 0.917 -1.342 -15.619 1.00 71.50 H new ATOM 806 N SER A 47 -2.712 2.782 -8.771 1.00 1.35 N ATOM 807 CA SER A 47 -3.938 3.580 -8.672 1.00 52.41 C ATOM 808 C SER A 47 -4.002 4.606 -9.812 1.00 64.12 C ATOM 809 O SER A 47 -2.965 5.073 -10.311 1.00 4.35 O ATOM 810 CB SER A 47 -3.985 4.281 -7.300 1.00 14.14 C ATOM 811 OG SER A 47 -5.064 5.198 -7.212 1.00 24.22 O ATOM 0 H SER A 47 -1.866 3.351 -8.804 1.00 1.35 H new ATOM 0 HA SER A 47 -4.804 2.924 -8.763 1.00 52.41 H new ATOM 0 HB2 SER A 47 -4.079 3.533 -6.513 1.00 14.14 H new ATOM 0 HB3 SER A 47 -3.046 4.807 -7.129 1.00 14.14 H new ATOM 0 HG SER A 47 -5.905 4.732 -7.401 1.00 24.22 H new ATOM 817 N ASN A 48 -5.237 4.944 -10.204 1.00 44.32 N ATOM 818 CA ASN A 48 -5.542 5.826 -11.350 1.00 20.02 C ATOM 819 C ASN A 48 -6.350 7.060 -10.909 1.00 30.31 C ATOM 820 O ASN A 48 -6.843 7.819 -11.757 1.00 23.45 O ATOM 821 CB ASN A 48 -6.326 5.017 -12.414 1.00 2.41 C ATOM 822 CG ASN A 48 -7.555 4.299 -11.842 1.00 40.34 C ATOM 823 OD1 ASN A 48 -7.465 3.145 -11.425 1.00 43.24 O ATOM 824 ND2 ASN A 48 -8.701 4.964 -11.808 1.00 52.21 N ATOM 0 H ASN A 48 -6.073 4.608 -9.727 1.00 44.32 H new ATOM 0 HA ASN A 48 -4.606 6.186 -11.776 1.00 20.02 H new ATOM 0 HB2 ASN A 48 -6.644 5.689 -13.211 1.00 2.41 H new ATOM 0 HB3 ASN A 48 -5.660 4.281 -12.865 1.00 2.41 H new ATOM 0 HD21 ASN A 48 -9.537 4.520 -11.429 1.00 52.21 H new ATOM 0 HD22 ASN A 48 -8.747 5.920 -12.161 1.00 52.21 H new ATOM 831 N ASP A 49 -6.467 7.264 -9.591 1.00 15.40 N ATOM 832 CA ASP A 49 -7.239 8.381 -9.010 1.00 75.50 C ATOM 833 C ASP A 49 -6.512 8.912 -7.765 1.00 73.21 C ATOM 834 O ASP A 49 -5.934 8.123 -7.021 1.00 41.54 O ATOM 835 CB ASP A 49 -8.677 7.906 -8.663 1.00 41.14 C ATOM 836 CG ASP A 49 -9.549 9.015 -8.040 1.00 34.50 C ATOM 837 OD1 ASP A 49 -10.021 9.907 -8.781 1.00 41.24 O ATOM 838 OD2 ASP A 49 -9.765 9.002 -6.813 1.00 72.21 O ATOM 0 H ASP A 49 -6.031 6.662 -8.893 1.00 15.40 H new ATOM 0 HA ASP A 49 -7.319 9.192 -9.734 1.00 75.50 H new ATOM 0 HB2 ASP A 49 -9.160 7.539 -9.569 1.00 41.14 H new ATOM 0 HB3 ASP A 49 -8.618 7.067 -7.970 1.00 41.14 H new ATOM 843 N LYS A 50 -6.537 10.250 -7.555 1.00 75.34 N ATOM 844 CA LYS A 50 -5.814 10.892 -6.439 1.00 53.42 C ATOM 845 C LYS A 50 -6.445 10.568 -5.080 1.00 42.10 C ATOM 846 O LYS A 50 -5.729 10.279 -4.128 1.00 34.22 O ATOM 847 CB LYS A 50 -5.698 12.433 -6.619 1.00 65.41 C ATOM 848 CG LYS A 50 -4.859 12.894 -7.838 1.00 65.43 C ATOM 849 CD LYS A 50 -3.442 12.264 -7.899 1.00 21.30 C ATOM 850 CE LYS A 50 -2.592 12.489 -6.631 1.00 54.24 C ATOM 851 NZ LYS A 50 -2.421 13.925 -6.316 1.00 43.25 N ATOM 0 H LYS A 50 -7.051 10.903 -8.146 1.00 75.34 H new ATOM 0 HA LYS A 50 -4.808 10.473 -6.457 1.00 53.42 H new ATOM 0 HB2 LYS A 50 -6.702 12.848 -6.711 1.00 65.41 H new ATOM 0 HB3 LYS A 50 -5.259 12.856 -5.715 1.00 65.41 H new ATOM 0 HG2 LYS A 50 -5.397 12.644 -8.753 1.00 65.43 H new ATOM 0 HG3 LYS A 50 -4.763 13.979 -7.811 1.00 65.43 H new ATOM 0 HD2 LYS A 50 -3.541 11.192 -8.071 1.00 21.30 H new ATOM 0 HD3 LYS A 50 -2.910 12.676 -8.757 1.00 21.30 H new ATOM 0 HE2 LYS A 50 -3.064 11.988 -5.786 1.00 54.24 H new ATOM 0 HE3 LYS A 50 -1.613 12.030 -6.767 1.00 54.24 H new ATOM 0 HZ1 LYS A 50 -1.844 14.026 -5.457 1.00 43.25 H new ATOM 0 HZ2 LYS A 50 -1.946 14.400 -7.110 1.00 43.25 H new ATOM 0 HZ3 LYS A 50 -3.353 14.359 -6.160 1.00 43.25 H new ATOM 865 N ASN A 51 -7.786 10.591 -5.000 1.00 21.43 N ATOM 866 CA ASN A 51 -8.509 10.303 -3.734 1.00 24.43 C ATOM 867 C ASN A 51 -8.237 8.850 -3.302 1.00 45.32 C ATOM 868 O ASN A 51 -8.112 8.554 -2.119 1.00 54.33 O ATOM 869 CB ASN A 51 -10.042 10.526 -3.887 1.00 42.24 C ATOM 870 CG ASN A 51 -10.394 11.872 -4.519 1.00 24.30 C ATOM 871 OD1 ASN A 51 -10.539 12.885 -3.829 1.00 23.24 O ATOM 872 ND2 ASN A 51 -10.551 11.892 -5.841 1.00 24.21 N ATOM 0 H ASN A 51 -8.396 10.804 -5.789 1.00 21.43 H new ATOM 0 HA ASN A 51 -8.143 10.992 -2.973 1.00 24.43 H new ATOM 0 HB2 ASN A 51 -10.460 9.725 -4.497 1.00 42.24 H new ATOM 0 HB3 ASN A 51 -10.512 10.458 -2.906 1.00 42.24 H new ATOM 0 HD21 ASN A 51 -10.798 12.762 -6.312 1.00 24.21 H new ATOM 0 HD22 ASN A 51 -10.424 11.037 -6.383 1.00 24.21 H new ATOM 879 N GLU A 52 -8.110 7.980 -4.312 1.00 62.31 N ATOM 880 CA GLU A 52 -7.872 6.540 -4.148 1.00 11.33 C ATOM 881 C GLU A 52 -6.435 6.261 -3.657 1.00 12.14 C ATOM 882 O GLU A 52 -6.250 5.598 -2.624 1.00 2.14 O ATOM 883 CB GLU A 52 -8.155 5.848 -5.502 1.00 2.45 C ATOM 884 CG GLU A 52 -8.008 4.325 -5.522 1.00 72.31 C ATOM 885 CD GLU A 52 -8.433 3.729 -6.875 1.00 64.13 C ATOM 886 OE1 GLU A 52 -7.593 3.667 -7.805 1.00 21.34 O ATOM 887 OE2 GLU A 52 -9.616 3.353 -7.025 1.00 50.53 O ATOM 0 H GLU A 52 -8.171 8.265 -5.290 1.00 62.31 H new ATOM 0 HA GLU A 52 -8.539 6.138 -3.386 1.00 11.33 H new ATOM 0 HB2 GLU A 52 -9.170 6.099 -5.810 1.00 2.45 H new ATOM 0 HB3 GLU A 52 -7.482 6.268 -6.249 1.00 2.45 H new ATOM 0 HG2 GLU A 52 -6.972 4.057 -5.316 1.00 72.31 H new ATOM 0 HG3 GLU A 52 -8.614 3.891 -4.727 1.00 72.31 H new ATOM 894 N VAL A 53 -5.425 6.790 -4.392 1.00 74.45 N ATOM 895 CA VAL A 53 -4.001 6.568 -4.066 1.00 22.41 C ATOM 896 C VAL A 53 -3.653 7.182 -2.702 1.00 54.11 C ATOM 897 O VAL A 53 -3.046 6.523 -1.860 1.00 10.20 O ATOM 898 CB VAL A 53 -3.018 7.098 -5.197 1.00 64.45 C ATOM 899 CG1 VAL A 53 -3.038 8.635 -5.364 1.00 1.04 C ATOM 900 CG2 VAL A 53 -1.573 6.581 -4.988 1.00 40.13 C ATOM 0 H VAL A 53 -5.575 7.374 -5.215 1.00 74.45 H new ATOM 0 HA VAL A 53 -3.856 5.489 -4.012 1.00 22.41 H new ATOM 0 HB VAL A 53 -3.399 6.685 -6.131 1.00 64.45 H new ATOM 0 HG11 VAL A 53 -2.343 8.924 -6.153 1.00 1.04 H new ATOM 0 HG12 VAL A 53 -4.044 8.959 -5.630 1.00 1.04 H new ATOM 0 HG13 VAL A 53 -2.740 9.107 -4.427 1.00 1.04 H new ATOM 0 HG21 VAL A 53 -0.931 6.965 -5.781 1.00 40.13 H new ATOM 0 HG22 VAL A 53 -1.200 6.923 -4.022 1.00 40.13 H new ATOM 0 HG23 VAL A 53 -1.569 5.491 -5.014 1.00 40.13 H new ATOM 910 N ASP A 54 -4.125 8.418 -2.462 1.00 4.30 N ATOM 911 CA ASP A 54 -3.789 9.175 -1.250 1.00 53.24 C ATOM 912 C ASP A 54 -4.529 8.637 -0.014 1.00 74.54 C ATOM 913 O ASP A 54 -4.046 8.830 1.100 1.00 24.20 O ATOM 914 CB ASP A 54 -4.058 10.696 -1.446 1.00 21.35 C ATOM 915 CG ASP A 54 -3.048 11.394 -2.391 1.00 10.14 C ATOM 916 OD1 ASP A 54 -1.831 11.375 -2.091 1.00 63.43 O ATOM 917 OD2 ASP A 54 -3.457 11.981 -3.418 1.00 3.34 O ATOM 0 H ASP A 54 -4.746 8.915 -3.100 1.00 4.30 H new ATOM 0 HA ASP A 54 -2.722 9.040 -1.071 1.00 53.24 H new ATOM 0 HB2 ASP A 54 -5.064 10.829 -1.843 1.00 21.35 H new ATOM 0 HB3 ASP A 54 -4.031 11.188 -0.474 1.00 21.35 H new ATOM 922 N ARG A 55 -5.692 7.961 -0.205 1.00 23.53 N ATOM 923 CA ARG A 55 -6.453 7.363 0.923 1.00 5.33 C ATOM 924 C ARG A 55 -5.677 6.184 1.532 1.00 32.31 C ATOM 925 O ARG A 55 -5.667 5.992 2.744 1.00 74.34 O ATOM 926 CB ARG A 55 -7.875 6.896 0.495 1.00 13.40 C ATOM 927 CG ARG A 55 -8.795 6.467 1.676 1.00 43.33 C ATOM 928 CD ARG A 55 -8.964 7.596 2.717 1.00 5.41 C ATOM 929 NE ARG A 55 -9.833 7.218 3.845 1.00 23.11 N ATOM 930 CZ ARG A 55 -10.126 8.024 4.888 1.00 21.41 C ATOM 931 NH1 ARG A 55 -9.622 9.250 4.973 1.00 21.32 N ATOM 932 NH2 ARG A 55 -10.946 7.607 5.839 1.00 53.21 N ATOM 0 H ARG A 55 -6.119 7.817 -1.120 1.00 23.53 H new ATOM 0 HA ARG A 55 -6.575 8.145 1.673 1.00 5.33 H new ATOM 0 HB2 ARG A 55 -8.360 7.704 -0.052 1.00 13.40 H new ATOM 0 HB3 ARG A 55 -7.776 6.058 -0.195 1.00 13.40 H new ATOM 0 HG2 ARG A 55 -9.773 6.182 1.289 1.00 43.33 H new ATOM 0 HG3 ARG A 55 -8.375 5.586 2.161 1.00 43.33 H new ATOM 0 HD2 ARG A 55 -7.983 7.878 3.100 1.00 5.41 H new ATOM 0 HD3 ARG A 55 -9.379 8.476 2.225 1.00 5.41 H new ATOM 0 HE ARG A 55 -10.241 6.283 3.838 1.00 23.11 H new ATOM 0 HH11 ARG A 55 -9.001 9.598 4.242 1.00 21.32 H new ATOM 0 HH12 ARG A 55 -9.856 9.843 5.769 1.00 21.32 H new ATOM 0 HH21 ARG A 55 -11.358 6.675 5.785 1.00 53.21 H new ATOM 0 HH22 ARG A 55 -11.166 8.217 6.626 1.00 53.21 H new ATOM 946 N ILE A 56 -5.022 5.413 0.669 1.00 11.41 N ATOM 947 CA ILE A 56 -4.214 4.256 1.078 1.00 61.20 C ATOM 948 C ILE A 56 -2.832 4.735 1.560 1.00 13.44 C ATOM 949 O ILE A 56 -2.269 4.194 2.520 1.00 53.11 O ATOM 950 CB ILE A 56 -4.062 3.260 -0.119 1.00 71.41 C ATOM 951 CG1 ILE A 56 -5.469 2.896 -0.699 1.00 12.21 C ATOM 952 CG2 ILE A 56 -3.288 1.996 0.313 1.00 62.03 C ATOM 953 CD1 ILE A 56 -5.431 2.121 -1.995 1.00 14.41 C ATOM 0 H ILE A 56 -5.033 5.569 -0.339 1.00 11.41 H new ATOM 0 HA ILE A 56 -4.713 3.738 1.897 1.00 61.20 H new ATOM 0 HB ILE A 56 -3.484 3.744 -0.906 1.00 71.41 H new ATOM 0 HG12 ILE A 56 -6.014 2.312 0.043 1.00 12.21 H new ATOM 0 HG13 ILE A 56 -6.032 3.816 -0.857 1.00 12.21 H new ATOM 0 HG21 ILE A 56 -3.195 1.319 -0.536 1.00 62.03 H new ATOM 0 HG22 ILE A 56 -2.295 2.279 0.662 1.00 62.03 H new ATOM 0 HG23 ILE A 56 -3.827 1.497 1.118 1.00 62.03 H new ATOM 0 HD11 ILE A 56 -6.449 1.912 -2.324 1.00 14.41 H new ATOM 0 HD12 ILE A 56 -4.917 2.709 -2.756 1.00 14.41 H new ATOM 0 HD13 ILE A 56 -4.899 1.182 -1.842 1.00 14.41 H new ATOM 965 N LEU A 57 -2.325 5.780 0.878 1.00 70.11 N ATOM 966 CA LEU A 57 -1.022 6.404 1.164 1.00 22.32 C ATOM 967 C LEU A 57 -0.997 6.999 2.587 1.00 63.41 C ATOM 968 O LEU A 57 0.031 6.938 3.275 1.00 61.53 O ATOM 969 CB LEU A 57 -0.722 7.494 0.094 1.00 62.32 C ATOM 970 CG LEU A 57 0.710 8.110 0.088 1.00 54.50 C ATOM 971 CD1 LEU A 57 1.793 7.047 -0.169 1.00 21.24 C ATOM 972 CD2 LEU A 57 0.804 9.270 -0.932 1.00 3.43 C ATOM 0 H LEU A 57 -2.818 6.220 0.101 1.00 70.11 H new ATOM 0 HA LEU A 57 -0.244 5.642 1.117 1.00 22.32 H new ATOM 0 HB2 LEU A 57 -0.908 7.063 -0.889 1.00 62.32 H new ATOM 0 HB3 LEU A 57 -1.438 8.305 0.227 1.00 62.32 H new ATOM 0 HG LEU A 57 0.896 8.516 1.082 1.00 54.50 H new ATOM 0 HD11 LEU A 57 2.775 7.520 -0.165 1.00 21.24 H new ATOM 0 HD12 LEU A 57 1.752 6.289 0.613 1.00 21.24 H new ATOM 0 HD13 LEU A 57 1.620 6.578 -1.138 1.00 21.24 H new ATOM 0 HD21 LEU A 57 1.812 9.685 -0.919 1.00 3.43 H new ATOM 0 HD22 LEU A 57 0.578 8.896 -1.931 1.00 3.43 H new ATOM 0 HD23 LEU A 57 0.088 10.048 -0.666 1.00 3.43 H new ATOM 984 N GLU A 58 -2.144 7.564 3.025 1.00 50.21 N ATOM 985 CA GLU A 58 -2.298 8.033 4.405 1.00 43.21 C ATOM 986 C GLU A 58 -2.486 6.824 5.351 1.00 22.24 C ATOM 987 O GLU A 58 -1.748 6.723 6.320 1.00 32.31 O ATOM 988 CB GLU A 58 -3.440 9.089 4.548 1.00 20.31 C ATOM 989 CG GLU A 58 -4.860 8.599 4.214 1.00 50.24 C ATOM 990 CD GLU A 58 -5.944 9.689 4.299 1.00 21.24 C ATOM 991 OE1 GLU A 58 -6.095 10.472 3.333 1.00 53.12 O ATOM 992 OE2 GLU A 58 -6.649 9.772 5.326 1.00 14.34 O ATOM 0 H GLU A 58 -2.968 7.702 2.440 1.00 50.21 H new ATOM 0 HA GLU A 58 -1.385 8.553 4.696 1.00 43.21 H new ATOM 0 HB2 GLU A 58 -3.437 9.461 5.573 1.00 20.31 H new ATOM 0 HB3 GLU A 58 -3.208 9.935 3.901 1.00 20.31 H new ATOM 0 HG2 GLU A 58 -4.860 8.181 3.207 1.00 50.24 H new ATOM 0 HG3 GLU A 58 -5.122 7.789 4.895 1.00 50.24 H new ATOM 999 N GLU A 59 -3.401 5.867 5.001 1.00 1.14 N ATOM 1000 CA GLU A 59 -3.753 4.699 5.872 1.00 65.04 C ATOM 1001 C GLU A 59 -2.518 3.944 6.409 1.00 42.12 C ATOM 1002 O GLU A 59 -2.451 3.629 7.609 1.00 31.02 O ATOM 1003 CB GLU A 59 -4.702 3.691 5.136 1.00 73.42 C ATOM 1004 CG GLU A 59 -6.203 4.059 5.162 1.00 41.35 C ATOM 1005 CD GLU A 59 -6.789 4.197 6.580 1.00 65.42 C ATOM 1006 OE1 GLU A 59 -6.595 3.277 7.415 1.00 43.55 O ATOM 1007 OE2 GLU A 59 -7.459 5.211 6.869 1.00 33.11 O ATOM 0 H GLU A 59 -3.910 5.883 4.117 1.00 1.14 H new ATOM 0 HA GLU A 59 -4.276 5.128 6.727 1.00 65.04 H new ATOM 0 HB2 GLU A 59 -4.383 3.609 4.097 1.00 73.42 H new ATOM 0 HB3 GLU A 59 -4.578 2.706 5.586 1.00 73.42 H new ATOM 0 HG2 GLU A 59 -6.346 4.998 4.628 1.00 41.35 H new ATOM 0 HG3 GLU A 59 -6.763 3.296 4.621 1.00 41.35 H new ATOM 1014 N VAL A 60 -1.553 3.662 5.518 1.00 52.32 N ATOM 1015 CA VAL A 60 -0.320 2.953 5.891 1.00 65.11 C ATOM 1016 C VAL A 60 0.545 3.806 6.848 1.00 44.02 C ATOM 1017 O VAL A 60 0.998 3.320 7.870 1.00 72.50 O ATOM 1018 CB VAL A 60 0.500 2.488 4.627 1.00 20.15 C ATOM 1019 CG1 VAL A 60 0.858 3.653 3.682 1.00 71.40 C ATOM 1020 CG2 VAL A 60 1.757 1.691 5.040 1.00 13.14 C ATOM 0 H VAL A 60 -1.605 3.916 4.531 1.00 52.32 H new ATOM 0 HA VAL A 60 -0.615 2.049 6.425 1.00 65.11 H new ATOM 0 HB VAL A 60 -0.153 1.824 4.060 1.00 20.15 H new ATOM 0 HG11 VAL A 60 1.422 3.271 2.831 1.00 71.40 H new ATOM 0 HG12 VAL A 60 -0.057 4.128 3.328 1.00 71.40 H new ATOM 0 HG13 VAL A 60 1.462 4.384 4.219 1.00 71.40 H new ATOM 0 HG21 VAL A 60 2.302 1.384 4.148 1.00 13.14 H new ATOM 0 HG22 VAL A 60 2.398 2.318 5.659 1.00 13.14 H new ATOM 0 HG23 VAL A 60 1.459 0.808 5.605 1.00 13.14 H new ATOM 1030 N ARG A 61 0.693 5.104 6.549 1.00 12.53 N ATOM 1031 CA ARG A 61 1.520 6.022 7.359 1.00 43.45 C ATOM 1032 C ARG A 61 0.815 6.401 8.689 1.00 53.30 C ATOM 1033 O ARG A 61 1.479 6.807 9.652 1.00 5.20 O ATOM 1034 CB ARG A 61 1.859 7.288 6.531 1.00 65.25 C ATOM 1035 CG ARG A 61 2.655 7.009 5.226 1.00 40.43 C ATOM 1036 CD ARG A 61 3.039 8.301 4.476 1.00 42.44 C ATOM 1037 NE ARG A 61 3.832 9.207 5.328 1.00 42.34 N ATOM 1038 CZ ARG A 61 3.853 10.553 5.245 1.00 34.44 C ATOM 1039 NH1 ARG A 61 3.129 11.204 4.335 1.00 14.51 N ATOM 1040 NH2 ARG A 61 4.610 11.240 6.090 1.00 61.01 N ATOM 0 H ARG A 61 0.248 5.549 5.746 1.00 12.53 H new ATOM 0 HA ARG A 61 2.446 5.510 7.622 1.00 43.45 H new ATOM 0 HB2 ARG A 61 0.931 7.798 6.274 1.00 65.25 H new ATOM 0 HB3 ARG A 61 2.436 7.971 7.155 1.00 65.25 H new ATOM 0 HG2 ARG A 61 3.560 6.452 5.469 1.00 40.43 H new ATOM 0 HG3 ARG A 61 2.058 6.376 4.569 1.00 40.43 H new ATOM 0 HD2 ARG A 61 3.610 8.048 3.583 1.00 42.44 H new ATOM 0 HD3 ARG A 61 2.135 8.812 4.143 1.00 42.44 H new ATOM 0 HE ARG A 61 4.417 8.777 6.044 1.00 42.34 H new ATOM 0 HH11 ARG A 61 2.543 10.684 3.682 1.00 14.51 H new ATOM 0 HH12 ARG A 61 3.161 12.223 4.291 1.00 14.51 H new ATOM 0 HH21 ARG A 61 5.166 10.750 6.791 1.00 61.01 H new ATOM 0 HH22 ARG A 61 4.636 12.258 6.039 1.00 61.01 H new ATOM 1054 N ARG A 62 -0.527 6.241 8.731 1.00 23.41 N ATOM 1055 CA ARG A 62 -1.359 6.585 9.903 1.00 3.34 C ATOM 1056 C ARG A 62 -1.339 5.461 10.942 1.00 41.03 C ATOM 1057 O ARG A 62 -1.292 5.725 12.146 1.00 30.44 O ATOM 1058 CB ARG A 62 -2.833 6.876 9.483 1.00 75.44 C ATOM 1059 CG ARG A 62 -3.056 8.200 8.717 1.00 4.33 C ATOM 1060 CD ARG A 62 -2.522 9.438 9.456 1.00 44.04 C ATOM 1061 NE ARG A 62 -3.138 9.607 10.789 1.00 75.45 N ATOM 1062 CZ ARG A 62 -3.604 10.767 11.292 1.00 34.55 C ATOM 1063 NH1 ARG A 62 -3.545 11.898 10.582 1.00 51.24 N ATOM 1064 NH2 ARG A 62 -4.121 10.790 12.515 1.00 61.22 N ATOM 0 H ARG A 62 -1.064 5.868 7.948 1.00 23.41 H new ATOM 0 HA ARG A 62 -0.933 7.486 10.346 1.00 3.34 H new ATOM 0 HB2 ARG A 62 -3.185 6.053 8.861 1.00 75.44 H new ATOM 0 HB3 ARG A 62 -3.453 6.886 10.379 1.00 75.44 H new ATOM 0 HG2 ARG A 62 -2.572 8.132 7.743 1.00 4.33 H new ATOM 0 HG3 ARG A 62 -4.123 8.329 8.534 1.00 4.33 H new ATOM 0 HD2 ARG A 62 -1.441 9.354 9.566 1.00 44.04 H new ATOM 0 HD3 ARG A 62 -2.713 10.327 8.855 1.00 44.04 H new ATOM 0 HE ARG A 62 -3.217 8.777 11.377 1.00 75.45 H new ATOM 0 HH11 ARG A 62 -3.143 11.891 9.645 1.00 51.24 H new ATOM 0 HH12 ARG A 62 -3.902 12.768 10.978 1.00 51.24 H new ATOM 0 HH21 ARG A 62 -4.163 9.933 13.067 1.00 61.22 H new ATOM 0 HH22 ARG A 62 -4.476 11.664 12.902 1.00 61.22 H new ATOM 1078 N LYS A 63 -1.392 4.205 10.462 1.00 31.44 N ATOM 1079 CA LYS A 63 -1.460 3.018 11.336 1.00 30.04 C ATOM 1080 C LYS A 63 -0.064 2.497 11.669 1.00 64.25 C ATOM 1081 O LYS A 63 0.237 2.176 12.826 1.00 41.04 O ATOM 1082 CB LYS A 63 -2.287 1.895 10.646 1.00 51.03 C ATOM 1083 CG LYS A 63 -3.784 2.223 10.482 1.00 11.31 C ATOM 1084 CD LYS A 63 -4.475 2.474 11.846 1.00 4.22 C ATOM 1085 CE LYS A 63 -5.981 2.709 11.710 1.00 3.14 C ATOM 1086 NZ LYS A 63 -6.683 1.527 11.150 1.00 11.21 N ATOM 0 H LYS A 63 -1.389 3.985 9.466 1.00 31.44 H new ATOM 0 HA LYS A 63 -1.948 3.312 12.265 1.00 30.04 H new ATOM 0 HB2 LYS A 63 -1.860 1.697 9.663 1.00 51.03 H new ATOM 0 HB3 LYS A 63 -2.189 0.978 11.227 1.00 51.03 H new ATOM 0 HG2 LYS A 63 -3.895 3.105 9.851 1.00 11.31 H new ATOM 0 HG3 LYS A 63 -4.282 1.400 9.969 1.00 11.31 H new ATOM 0 HD2 LYS A 63 -4.302 1.619 12.499 1.00 4.22 H new ATOM 0 HD3 LYS A 63 -4.018 3.339 12.326 1.00 4.22 H new ATOM 0 HE2 LYS A 63 -6.400 2.949 12.687 1.00 3.14 H new ATOM 0 HE3 LYS A 63 -6.156 3.572 11.068 1.00 3.14 H new ATOM 0 HZ1 LYS A 63 -7.630 1.454 11.572 1.00 11.21 H new ATOM 0 HZ2 LYS A 63 -6.771 1.632 10.119 1.00 11.21 H new ATOM 0 HZ3 LYS A 63 -6.140 0.666 11.366 1.00 11.21 H new ATOM 1100 N VAL A 64 0.793 2.440 10.640 1.00 34.14 N ATOM 1101 CA VAL A 64 2.112 1.794 10.723 1.00 30.20 C ATOM 1102 C VAL A 64 3.219 2.715 10.149 1.00 61.31 C ATOM 1103 O VAL A 64 3.576 2.639 8.967 1.00 43.33 O ATOM 1104 CB VAL A 64 2.081 0.355 10.050 1.00 33.34 C ATOM 1105 CG1 VAL A 64 1.203 -0.602 10.881 1.00 62.44 C ATOM 1106 CG2 VAL A 64 1.579 0.365 8.584 1.00 11.01 C ATOM 0 H VAL A 64 0.591 2.841 9.724 1.00 34.14 H new ATOM 0 HA VAL A 64 2.361 1.637 11.772 1.00 30.20 H new ATOM 0 HB VAL A 64 3.115 0.010 10.031 1.00 33.34 H new ATOM 0 HG11 VAL A 64 1.189 -1.585 10.410 1.00 62.44 H new ATOM 0 HG12 VAL A 64 1.611 -0.688 11.888 1.00 62.44 H new ATOM 0 HG13 VAL A 64 0.187 -0.211 10.933 1.00 62.44 H new ATOM 0 HG21 VAL A 64 1.585 -0.651 8.190 1.00 11.01 H new ATOM 0 HG22 VAL A 64 0.564 0.761 8.550 1.00 11.01 H new ATOM 0 HG23 VAL A 64 2.234 0.992 7.979 1.00 11.01 H new ATOM 1116 N PRO A 65 3.788 3.636 11.010 1.00 54.03 N ATOM 1117 CA PRO A 65 4.886 4.549 10.600 1.00 52.32 C ATOM 1118 C PRO A 65 6.245 3.819 10.527 1.00 51.10 C ATOM 1119 O PRO A 65 7.248 4.397 10.114 1.00 64.05 O ATOM 1120 CB PRO A 65 4.863 5.627 11.707 1.00 33.41 C ATOM 1121 CG PRO A 65 4.411 4.896 12.933 1.00 3.42 C ATOM 1122 CD PRO A 65 3.413 3.857 12.447 1.00 25.01 C ATOM 0 HA PRO A 65 4.753 4.961 9.600 1.00 52.32 H new ATOM 0 HB2 PRO A 65 5.849 6.070 11.850 1.00 33.41 H new ATOM 0 HB3 PRO A 65 4.181 6.440 11.456 1.00 33.41 H new ATOM 0 HG2 PRO A 65 5.252 4.424 13.440 1.00 3.42 H new ATOM 0 HG3 PRO A 65 3.950 5.578 13.648 1.00 3.42 H new ATOM 0 HD2 PRO A 65 3.484 2.935 13.024 1.00 25.01 H new ATOM 0 HD3 PRO A 65 2.387 4.214 12.541 1.00 25.01 H new ATOM 1130 N ASN A 66 6.254 2.545 10.963 1.00 51.21 N ATOM 1131 CA ASN A 66 7.425 1.655 10.896 1.00 53.30 C ATOM 1132 C ASN A 66 7.598 1.077 9.475 1.00 24.54 C ATOM 1133 O ASN A 66 8.694 0.627 9.110 1.00 62.54 O ATOM 1134 CB ASN A 66 7.273 0.507 11.928 1.00 22.12 C ATOM 1135 CG ASN A 66 7.276 0.972 13.397 1.00 63.11 C ATOM 1136 OD1 ASN A 66 7.915 1.963 13.758 1.00 54.11 O ATOM 1137 ND2 ASN A 66 6.573 0.251 14.258 1.00 65.42 N ATOM 0 H ASN A 66 5.435 2.100 11.378 1.00 51.21 H new ATOM 0 HA ASN A 66 8.316 2.236 11.135 1.00 53.30 H new ATOM 0 HB2 ASN A 66 6.342 -0.024 11.729 1.00 22.12 H new ATOM 0 HB3 ASN A 66 8.084 -0.206 11.783 1.00 22.12 H new ATOM 0 HD21 ASN A 66 6.552 0.512 15.244 1.00 65.42 H new ATOM 0 HD22 ASN A 66 6.053 -0.565 13.935 1.00 65.42 H new ATOM 1144 N ALA A 67 6.503 1.085 8.695 1.00 53.50 N ATOM 1145 CA ALA A 67 6.506 0.623 7.300 1.00 53.22 C ATOM 1146 C ALA A 67 7.220 1.648 6.392 1.00 62.13 C ATOM 1147 O ALA A 67 6.954 2.854 6.482 1.00 31.14 O ATOM 1148 CB ALA A 67 5.064 0.370 6.824 1.00 44.21 C ATOM 0 H ALA A 67 5.592 1.412 9.016 1.00 53.50 H new ATOM 0 HA ALA A 67 7.056 -0.316 7.240 1.00 53.22 H new ATOM 0 HB1 ALA A 67 5.077 0.028 5.789 1.00 44.21 H new ATOM 0 HB2 ALA A 67 4.602 -0.392 7.452 1.00 44.21 H new ATOM 0 HB3 ALA A 67 4.490 1.294 6.893 1.00 44.21 H new ATOM 1154 N ARG A 68 8.145 1.155 5.544 1.00 1.25 N ATOM 1155 CA ARG A 68 8.871 1.981 4.563 1.00 60.01 C ATOM 1156 C ARG A 68 7.954 2.246 3.352 1.00 22.00 C ATOM 1157 O ARG A 68 7.777 1.376 2.499 1.00 74.33 O ATOM 1158 CB ARG A 68 10.174 1.242 4.122 1.00 52.42 C ATOM 1159 CG ARG A 68 11.130 2.024 3.180 1.00 44.43 C ATOM 1160 CD ARG A 68 12.047 3.036 3.905 1.00 1.00 C ATOM 1161 NE ARG A 68 11.339 4.233 4.399 1.00 61.31 N ATOM 1162 CZ ARG A 68 11.035 4.501 5.684 1.00 2.21 C ATOM 1163 NH1 ARG A 68 11.368 3.657 6.663 1.00 73.30 N ATOM 1164 NH2 ARG A 68 10.385 5.617 5.977 1.00 30.41 N ATOM 0 H ARG A 68 8.409 0.170 5.522 1.00 1.25 H new ATOM 0 HA ARG A 68 9.151 2.936 5.008 1.00 60.01 H new ATOM 0 HB2 ARG A 68 10.729 0.966 5.018 1.00 52.42 H new ATOM 0 HB3 ARG A 68 9.889 0.315 3.625 1.00 52.42 H new ATOM 0 HG2 ARG A 68 11.752 1.311 2.638 1.00 44.43 H new ATOM 0 HG3 ARG A 68 10.535 2.557 2.438 1.00 44.43 H new ATOM 0 HD2 ARG A 68 12.529 2.538 4.746 1.00 1.00 H new ATOM 0 HD3 ARG A 68 12.838 3.349 3.223 1.00 1.00 H new ATOM 0 HE ARG A 68 11.053 4.922 3.703 1.00 61.31 H new ATOM 0 HH11 ARG A 68 11.861 2.791 6.444 1.00 73.30 H new ATOM 0 HH12 ARG A 68 11.129 3.878 7.630 1.00 73.30 H new ATOM 0 HH21 ARG A 68 10.120 6.263 5.233 1.00 30.41 H new ATOM 0 HH22 ARG A 68 10.149 5.831 6.946 1.00 30.41 H new ATOM 1178 N VAL A 69 7.372 3.454 3.286 1.00 32.13 N ATOM 1179 CA VAL A 69 6.354 3.794 2.271 1.00 55.20 C ATOM 1180 C VAL A 69 6.994 4.615 1.138 1.00 12.10 C ATOM 1181 O VAL A 69 7.309 5.799 1.304 1.00 54.33 O ATOM 1182 CB VAL A 69 5.160 4.586 2.932 1.00 22.02 C ATOM 1183 CG1 VAL A 69 4.041 4.897 1.910 1.00 41.45 C ATOM 1184 CG2 VAL A 69 4.602 3.815 4.153 1.00 42.10 C ATOM 0 H VAL A 69 7.589 4.218 3.926 1.00 32.13 H new ATOM 0 HA VAL A 69 5.955 2.872 1.848 1.00 55.20 H new ATOM 0 HB VAL A 69 5.551 5.542 3.280 1.00 22.02 H new ATOM 0 HG11 VAL A 69 3.238 5.443 2.405 1.00 41.45 H new ATOM 0 HG12 VAL A 69 4.446 5.503 1.100 1.00 41.45 H new ATOM 0 HG13 VAL A 69 3.649 3.964 1.504 1.00 41.45 H new ATOM 0 HG21 VAL A 69 3.780 4.378 4.594 1.00 42.10 H new ATOM 0 HG22 VAL A 69 4.242 2.838 3.832 1.00 42.10 H new ATOM 0 HG23 VAL A 69 5.391 3.686 4.893 1.00 42.10 H new ATOM 1194 N ARG A 70 7.172 3.966 -0.018 1.00 53.44 N ATOM 1195 CA ARG A 70 7.769 4.580 -1.214 1.00 41.22 C ATOM 1196 C ARG A 70 6.651 4.992 -2.184 1.00 41.20 C ATOM 1197 O ARG A 70 6.026 4.140 -2.812 1.00 53.04 O ATOM 1198 CB ARG A 70 8.741 3.570 -1.892 1.00 44.14 C ATOM 1199 CG ARG A 70 9.371 4.054 -3.224 1.00 63.40 C ATOM 1200 CD ARG A 70 10.320 5.266 -3.056 1.00 4.22 C ATOM 1201 NE ARG A 70 10.770 5.808 -4.356 1.00 14.20 N ATOM 1202 CZ ARG A 70 11.800 5.349 -5.091 1.00 41.54 C ATOM 1203 NH1 ARG A 70 12.542 4.322 -4.691 1.00 63.15 N ATOM 1204 NH2 ARG A 70 12.072 5.930 -6.247 1.00 30.51 N ATOM 0 H ARG A 70 6.904 2.991 -0.153 1.00 53.44 H new ATOM 0 HA ARG A 70 8.335 5.467 -0.932 1.00 41.22 H new ATOM 0 HB2 ARG A 70 9.544 3.337 -1.192 1.00 44.14 H new ATOM 0 HB3 ARG A 70 8.202 2.641 -2.080 1.00 44.14 H new ATOM 0 HG2 ARG A 70 9.924 3.230 -3.675 1.00 63.40 H new ATOM 0 HG3 ARG A 70 8.574 4.321 -3.918 1.00 63.40 H new ATOM 0 HD2 ARG A 70 9.810 6.049 -2.495 1.00 4.22 H new ATOM 0 HD3 ARG A 70 11.188 4.967 -2.469 1.00 4.22 H new ATOM 0 HE ARG A 70 10.252 6.603 -4.730 1.00 14.20 H new ATOM 0 HH11 ARG A 70 12.337 3.859 -3.805 1.00 63.15 H new ATOM 0 HH12 ARG A 70 13.316 3.996 -5.270 1.00 63.15 H new ATOM 0 HH21 ARG A 70 11.505 6.714 -6.570 1.00 30.51 H new ATOM 0 HH22 ARG A 70 12.849 5.594 -6.816 1.00 30.51 H new ATOM 1218 N GLU A 71 6.380 6.298 -2.266 1.00 70.41 N ATOM 1219 CA GLU A 71 5.439 6.848 -3.254 1.00 25.11 C ATOM 1220 C GLU A 71 6.230 7.201 -4.523 1.00 24.42 C ATOM 1221 O GLU A 71 7.287 7.847 -4.446 1.00 63.43 O ATOM 1222 CB GLU A 71 4.696 8.070 -2.646 1.00 2.44 C ATOM 1223 CG GLU A 71 3.498 8.626 -3.467 1.00 62.33 C ATOM 1224 CD GLU A 71 3.873 9.520 -4.676 1.00 12.53 C ATOM 1225 OE1 GLU A 71 4.266 10.686 -4.461 1.00 21.34 O ATOM 1226 OE2 GLU A 71 3.738 9.076 -5.836 1.00 34.14 O ATOM 0 H GLU A 71 6.801 7.000 -1.657 1.00 70.41 H new ATOM 0 HA GLU A 71 4.673 6.121 -3.522 1.00 25.11 H new ATOM 0 HB2 GLU A 71 4.333 7.792 -1.656 1.00 2.44 H new ATOM 0 HB3 GLU A 71 5.418 8.875 -2.506 1.00 2.44 H new ATOM 0 HG2 GLU A 71 2.907 7.785 -3.829 1.00 62.33 H new ATOM 0 HG3 GLU A 71 2.857 9.201 -2.798 1.00 62.33 H new ATOM 1233 N THR A 72 5.714 6.749 -5.670 1.00 52.45 N ATOM 1234 CA THR A 72 6.339 6.911 -6.993 1.00 50.31 C ATOM 1235 C THR A 72 5.246 7.209 -8.032 1.00 22.33 C ATOM 1236 O THR A 72 4.266 6.460 -8.122 1.00 5.43 O ATOM 1237 CB THR A 72 7.107 5.606 -7.429 1.00 23.24 C ATOM 1238 OG1 THR A 72 6.284 4.447 -7.196 1.00 50.22 O ATOM 1239 CG2 THR A 72 8.446 5.428 -6.691 1.00 25.42 C ATOM 0 H THR A 72 4.827 6.247 -5.709 1.00 52.45 H new ATOM 0 HA THR A 72 7.054 7.732 -6.934 1.00 50.31 H new ATOM 0 HB THR A 72 7.326 5.713 -8.492 1.00 23.24 H new ATOM 0 HG1 THR A 72 6.320 3.857 -7.978 1.00 50.22 H new ATOM 0 HG21 THR A 72 8.930 4.513 -7.032 1.00 25.42 H new ATOM 0 HG22 THR A 72 9.093 6.280 -6.900 1.00 25.42 H new ATOM 0 HG23 THR A 72 8.264 5.365 -5.618 1.00 25.42 H new ATOM 1247 N GLU A 73 5.387 8.316 -8.782 1.00 35.21 N ATOM 1248 CA GLU A 73 4.548 8.579 -9.962 1.00 12.43 C ATOM 1249 C GLU A 73 5.271 8.032 -11.208 1.00 11.04 C ATOM 1250 O GLU A 73 6.437 8.368 -11.449 1.00 1.15 O ATOM 1251 CB GLU A 73 4.256 10.094 -10.133 1.00 20.42 C ATOM 1252 CG GLU A 73 3.278 10.398 -11.295 1.00 21.35 C ATOM 1253 CD GLU A 73 3.078 11.894 -11.582 1.00 43.55 C ATOM 1254 OE1 GLU A 73 3.867 12.468 -12.365 1.00 60.43 O ATOM 1255 OE2 GLU A 73 2.115 12.503 -11.053 1.00 34.45 O ATOM 0 H GLU A 73 6.076 9.044 -8.590 1.00 35.21 H new ATOM 0 HA GLU A 73 3.588 8.080 -9.830 1.00 12.43 H new ATOM 0 HB2 GLU A 73 3.840 10.485 -9.204 1.00 20.42 H new ATOM 0 HB3 GLU A 73 5.194 10.621 -10.308 1.00 20.42 H new ATOM 0 HG2 GLU A 73 3.646 9.913 -12.199 1.00 21.35 H new ATOM 0 HG3 GLU A 73 2.310 9.952 -11.065 1.00 21.35 H new ATOM 1262 N THR A 74 4.585 7.181 -11.981 1.00 65.45 N ATOM 1263 CA THR A 74 5.141 6.561 -13.200 1.00 42.44 C ATOM 1264 C THR A 74 4.836 7.428 -14.462 1.00 52.34 C ATOM 1265 O THR A 74 5.136 7.035 -15.598 1.00 60.24 O ATOM 1266 CB THR A 74 4.567 5.108 -13.364 1.00 32.42 C ATOM 1267 OG1 THR A 74 4.509 4.461 -12.074 1.00 4.41 O ATOM 1268 CG2 THR A 74 5.422 4.246 -14.314 1.00 44.51 C ATOM 0 H THR A 74 3.625 6.899 -11.782 1.00 65.45 H new ATOM 0 HA THR A 74 6.225 6.503 -13.099 1.00 42.44 H new ATOM 0 HB THR A 74 3.571 5.201 -13.796 1.00 32.42 H new ATOM 0 HG1 THR A 74 4.164 3.550 -12.180 1.00 4.41 H new ATOM 0 HG21 THR A 74 4.985 3.251 -14.395 1.00 44.51 H new ATOM 0 HG22 THR A 74 5.451 4.711 -15.300 1.00 44.51 H new ATOM 0 HG23 THR A 74 6.435 4.166 -13.920 1.00 44.51 H new ATOM 1276 N GLY A 75 4.239 8.612 -14.231 1.00 22.13 N ATOM 1277 CA GLY A 75 3.918 9.575 -15.287 1.00 51.33 C ATOM 1278 C GLY A 75 5.148 10.249 -15.888 1.00 2.32 C ATOM 1279 O GLY A 75 5.513 11.362 -15.494 1.00 53.30 O ATOM 0 H GLY A 75 3.966 8.924 -13.299 1.00 22.13 H new ATOM 0 HA2 GLY A 75 3.369 9.065 -16.079 1.00 51.33 H new ATOM 0 HA3 GLY A 75 3.256 10.340 -14.882 1.00 51.33 H new ATOM 1283 N SER A 76 5.781 9.552 -16.848 1.00 2.22 N ATOM 1284 CA SER A 76 7.001 10.012 -17.545 1.00 4.32 C ATOM 1285 C SER A 76 6.858 9.737 -19.062 1.00 73.43 C ATOM 1286 O SER A 76 7.819 9.361 -19.746 1.00 55.10 O ATOM 1287 CB SER A 76 8.231 9.278 -16.941 1.00 21.20 C ATOM 1288 OG SER A 76 8.302 9.434 -15.531 1.00 70.04 O ATOM 0 H SER A 76 5.457 8.639 -17.168 1.00 2.22 H new ATOM 0 HA SER A 76 7.142 11.085 -17.411 1.00 4.32 H new ATOM 0 HB2 SER A 76 8.177 8.217 -17.186 1.00 21.20 H new ATOM 0 HB3 SER A 76 9.143 9.664 -17.395 1.00 21.20 H new ATOM 0 HG SER A 76 9.087 8.958 -15.188 1.00 70.04 H new ATOM 1294 N LEU A 77 5.636 9.973 -19.576 1.00 22.21 N ATOM 1295 CA LEU A 77 5.265 9.691 -20.970 1.00 31.03 C ATOM 1296 C LEU A 77 5.887 10.741 -21.903 1.00 32.04 C ATOM 1297 O LEU A 77 5.711 11.951 -21.692 1.00 65.04 O ATOM 1298 CB LEU A 77 3.713 9.685 -21.148 1.00 35.12 C ATOM 1299 CG LEU A 77 2.899 8.562 -20.399 1.00 50.33 C ATOM 1300 CD1 LEU A 77 2.863 8.763 -18.867 1.00 73.32 C ATOM 1301 CD2 LEU A 77 1.472 8.450 -20.972 1.00 10.14 C ATOM 0 H LEU A 77 4.873 10.369 -19.027 1.00 22.21 H new ATOM 0 HA LEU A 77 5.646 8.703 -21.228 1.00 31.03 H new ATOM 0 HB2 LEU A 77 3.333 10.652 -20.819 1.00 35.12 H new ATOM 0 HB3 LEU A 77 3.497 9.603 -22.213 1.00 35.12 H new ATOM 0 HG LEU A 77 3.426 7.624 -20.575 1.00 50.33 H new ATOM 0 HD11 LEU A 77 2.288 7.959 -18.408 1.00 73.32 H new ATOM 0 HD12 LEU A 77 3.880 8.752 -18.475 1.00 73.32 H new ATOM 0 HD13 LEU A 77 2.395 9.720 -18.637 1.00 73.32 H new ATOM 0 HD21 LEU A 77 0.927 7.669 -20.441 1.00 10.14 H new ATOM 0 HD22 LEU A 77 0.955 9.401 -20.849 1.00 10.14 H new ATOM 0 HD23 LEU A 77 1.524 8.200 -22.032 1.00 10.14 H new ATOM 1313 N GLU A 78 6.615 10.266 -22.917 1.00 43.40 N ATOM 1314 CA GLU A 78 7.176 11.123 -23.975 1.00 32.34 C ATOM 1315 C GLU A 78 6.061 11.609 -24.921 1.00 70.43 C ATOM 1316 O GLU A 78 4.937 11.074 -24.920 1.00 2.30 O ATOM 1317 CB GLU A 78 8.269 10.379 -24.781 1.00 10.43 C ATOM 1318 CG GLU A 78 9.491 9.941 -23.952 1.00 61.33 C ATOM 1319 CD GLU A 78 10.615 9.347 -24.826 1.00 54.34 C ATOM 1320 OE1 GLU A 78 10.455 8.215 -25.324 1.00 35.03 O ATOM 1321 OE2 GLU A 78 11.652 10.020 -25.030 1.00 33.21 O ATOM 0 H GLU A 78 6.834 9.276 -23.031 1.00 43.40 H new ATOM 0 HA GLU A 78 7.637 11.986 -23.494 1.00 32.34 H new ATOM 0 HB2 GLU A 78 7.825 9.497 -25.242 1.00 10.43 H new ATOM 0 HB3 GLU A 78 8.608 11.025 -25.590 1.00 10.43 H new ATOM 0 HG2 GLU A 78 9.878 10.798 -23.401 1.00 61.33 H new ATOM 0 HG3 GLU A 78 9.179 9.202 -23.214 1.00 61.33 H new ATOM 1328 N HIS A 79 6.405 12.613 -25.742 1.00 33.43 N ATOM 1329 CA HIS A 79 5.474 13.235 -26.691 1.00 31.44 C ATOM 1330 C HIS A 79 5.227 12.280 -27.875 1.00 22.30 C ATOM 1331 O HIS A 79 6.180 11.729 -28.435 1.00 54.34 O ATOM 1332 CB HIS A 79 6.046 14.584 -27.211 1.00 4.41 C ATOM 1333 CG HIS A 79 6.456 15.555 -26.127 1.00 21.40 C ATOM 1334 ND1 HIS A 79 5.593 16.466 -25.552 1.00 1.32 N ATOM 1335 CD2 HIS A 79 7.652 15.754 -25.519 1.00 14.13 C ATOM 1336 CE1 HIS A 79 6.241 17.175 -24.645 1.00 21.24 C ATOM 1337 NE2 HIS A 79 7.486 16.761 -24.606 1.00 21.44 N ATOM 0 H HIS A 79 7.341 13.017 -25.765 1.00 33.43 H new ATOM 0 HA HIS A 79 4.531 13.432 -26.180 1.00 31.44 H new ATOM 0 HB2 HIS A 79 6.911 14.378 -27.841 1.00 4.41 H new ATOM 0 HB3 HIS A 79 5.297 15.061 -27.843 1.00 4.41 H new ATOM 0 HD2 HIS A 79 8.567 15.217 -25.718 1.00 14.13 H new ATOM 0 HE1 HIS A 79 5.818 17.962 -24.038 1.00 21.24 H new ATOM 0 HE2 HIS A 79 8.213 17.130 -23.994 1.00 21.44 H new ATOM 1346 N HIS A 80 3.950 12.058 -28.219 1.00 71.24 N ATOM 1347 CA HIS A 80 3.554 11.283 -29.408 1.00 35.12 C ATOM 1348 C HIS A 80 3.326 12.250 -30.574 1.00 11.14 C ATOM 1349 O HIS A 80 2.313 12.954 -30.598 1.00 21.34 O ATOM 1350 CB HIS A 80 2.264 10.454 -29.142 1.00 34.42 C ATOM 1351 CG HIS A 80 2.427 9.361 -28.117 1.00 53.31 C ATOM 1352 ND1 HIS A 80 1.842 9.395 -26.868 1.00 32.13 N ATOM 1353 CD2 HIS A 80 3.101 8.185 -28.173 1.00 53.50 C ATOM 1354 CE1 HIS A 80 2.149 8.300 -26.208 1.00 50.43 C ATOM 1355 NE2 HIS A 80 2.908 7.548 -26.976 1.00 20.13 N ATOM 0 H HIS A 80 3.159 12.411 -27.680 1.00 71.24 H new ATOM 0 HA HIS A 80 4.351 10.581 -29.652 1.00 35.12 H new ATOM 0 HB2 HIS A 80 1.474 11.129 -28.813 1.00 34.42 H new ATOM 0 HB3 HIS A 80 1.933 10.009 -30.080 1.00 34.42 H new ATOM 0 HD2 HIS A 80 3.682 7.819 -29.007 1.00 53.50 H new ATOM 0 HE1 HIS A 80 1.832 8.058 -25.204 1.00 50.43 H new ATOM 0 HE2 HIS A 80 3.291 6.638 -26.721 1.00 20.13 H new ATOM 1364 N HIS A 81 4.287 12.313 -31.515 1.00 21.11 N ATOM 1365 CA HIS A 81 4.174 13.167 -32.711 1.00 40.11 C ATOM 1366 C HIS A 81 3.087 12.589 -33.636 1.00 15.41 C ATOM 1367 O HIS A 81 3.352 11.665 -34.413 1.00 23.24 O ATOM 1368 CB HIS A 81 5.538 13.276 -33.452 1.00 33.33 C ATOM 1369 CG HIS A 81 5.573 14.285 -34.583 1.00 5.21 C ATOM 1370 ND1 HIS A 81 6.138 15.538 -34.451 1.00 63.13 N ATOM 1371 CD2 HIS A 81 5.127 14.221 -35.865 1.00 51.03 C ATOM 1372 CE1 HIS A 81 6.034 16.190 -35.592 1.00 64.15 C ATOM 1373 NE2 HIS A 81 5.425 15.417 -36.463 1.00 31.34 N ATOM 0 H HIS A 81 5.155 11.779 -31.468 1.00 21.11 H new ATOM 0 HA HIS A 81 3.892 14.175 -32.408 1.00 40.11 H new ATOM 0 HB2 HIS A 81 6.308 13.538 -32.727 1.00 33.33 H new ATOM 0 HB3 HIS A 81 5.797 12.295 -33.852 1.00 33.33 H new ATOM 0 HD2 HIS A 81 4.629 13.382 -36.327 1.00 51.03 H new ATOM 0 HE1 HIS A 81 6.390 17.192 -35.780 1.00 64.15 H new ATOM 0 HE2 HIS A 81 5.209 15.667 -37.428 1.00 31.34 H new ATOM 1382 N HIS A 82 1.851 13.098 -33.485 1.00 31.34 N ATOM 1383 CA HIS A 82 0.693 12.643 -34.274 1.00 71.21 C ATOM 1384 C HIS A 82 0.868 13.016 -35.762 1.00 2.34 C ATOM 1385 O HIS A 82 1.328 14.116 -36.090 1.00 3.41 O ATOM 1386 CB HIS A 82 -0.643 13.199 -33.694 1.00 13.12 C ATOM 1387 CG HIS A 82 -0.741 14.704 -33.590 1.00 32.12 C ATOM 1388 ND1 HIS A 82 -0.551 15.387 -32.408 1.00 54.14 N ATOM 1389 CD2 HIS A 82 -1.047 15.653 -34.511 1.00 73.23 C ATOM 1390 CE1 HIS A 82 -0.737 16.676 -32.607 1.00 4.51 C ATOM 1391 NE2 HIS A 82 -1.037 16.862 -33.869 1.00 55.22 N ATOM 0 H HIS A 82 1.628 13.834 -32.815 1.00 31.34 H new ATOM 0 HA HIS A 82 0.642 11.556 -34.207 1.00 71.21 H new ATOM 0 HB2 HIS A 82 -1.463 12.843 -34.317 1.00 13.12 H new ATOM 0 HB3 HIS A 82 -0.790 12.775 -32.701 1.00 13.12 H new ATOM 0 HD2 HIS A 82 -1.259 15.485 -35.557 1.00 73.23 H new ATOM 0 HE1 HIS A 82 -0.656 17.449 -31.857 1.00 4.51 H new ATOM 0 HE2 HIS A 82 -1.232 17.764 -34.304 1.00 55.22 H new ATOM 1400 N HIS A 83 0.541 12.065 -36.644 1.00 41.52 N ATOM 1401 CA HIS A 83 0.687 12.212 -38.105 1.00 71.24 C ATOM 1402 C HIS A 83 -0.690 12.258 -38.775 1.00 30.33 C ATOM 1403 O HIS A 83 -1.692 11.867 -38.167 1.00 54.55 O ATOM 1404 CB HIS A 83 1.516 11.030 -38.671 1.00 44.11 C ATOM 1405 CG HIS A 83 2.928 10.965 -38.145 1.00 42.04 C ATOM 1406 ND1 HIS A 83 3.345 10.049 -37.204 1.00 64.52 N ATOM 1407 CD2 HIS A 83 4.022 11.707 -38.445 1.00 55.32 C ATOM 1408 CE1 HIS A 83 4.624 10.228 -36.952 1.00 72.02 C ATOM 1409 NE2 HIS A 83 5.059 11.229 -37.690 1.00 53.33 N ATOM 0 H HIS A 83 0.163 11.160 -36.365 1.00 41.52 H new ATOM 0 HA HIS A 83 1.207 13.146 -38.316 1.00 71.24 H new ATOM 0 HB2 HIS A 83 1.007 10.096 -38.433 1.00 44.11 H new ATOM 0 HB3 HIS A 83 1.547 11.109 -39.758 1.00 44.11 H new ATOM 0 HD2 HIS A 83 4.067 12.524 -39.150 1.00 55.32 H new ATOM 0 HE1 HIS A 83 5.217 9.652 -36.257 1.00 72.02 H new ATOM 0 HE2 HIS A 83 6.013 11.589 -37.698 1.00 53.33 H new ATOM 1418 N HIS A 84 -0.722 12.718 -40.037 1.00 51.54 N ATOM 1419 CA HIS A 84 -1.943 12.750 -40.866 1.00 61.40 C ATOM 1420 C HIS A 84 -1.675 11.979 -42.184 1.00 71.51 C ATOM 1421 O HIS A 84 -0.716 12.327 -42.913 1.00 52.35 O ATOM 1422 CB HIS A 84 -2.436 14.210 -41.120 1.00 75.31 C ATOM 1423 CG HIS A 84 -1.464 15.108 -41.840 1.00 20.33 C ATOM 1424 ND1 HIS A 84 -1.549 15.388 -43.191 1.00 4.52 N ATOM 1425 CD2 HIS A 84 -0.387 15.791 -41.393 1.00 24.23 C ATOM 1426 CE1 HIS A 84 -0.571 16.195 -43.533 1.00 41.20 C ATOM 1427 NE2 HIS A 84 0.146 16.457 -42.462 1.00 22.22 N ATOM 1428 OXT HIS A 84 -2.401 11.012 -42.475 1.00 37.25 O ATOM 0 H HIS A 84 0.103 13.081 -40.515 1.00 51.54 H new ATOM 0 HA HIS A 84 -2.755 12.257 -40.331 1.00 61.40 H new ATOM 0 HB2 HIS A 84 -3.360 14.167 -41.697 1.00 75.31 H new ATOM 0 HB3 HIS A 84 -2.680 14.664 -40.160 1.00 75.31 H new ATOM 0 HD2 HIS A 84 -0.016 15.808 -40.379 1.00 24.23 H new ATOM 0 HE1 HIS A 84 -0.387 16.579 -44.526 1.00 41.20 H new ATOM 0 HE2 HIS A 84 0.968 17.060 -42.433 1.00 22.22 H new TER 1437 HIS A 84