USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 822 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 57 CYS SG : rot 100:sc= -0.187 USER MOD Set 1.2: A 89 HIS : no HD1:sc= -1.57! C(o=-1.8!,f=-4.6!) USER MOD Set 2.1: A 29 TYR OH : rot 165:sc= 0.975 USER MOD Set 2.2: A 97 THR OG1 : rot 53:sc= 0.573 USER MOD Single : A 9 SER OG : rot 180:sc= -0.0238 USER MOD Single : A 15 LYS NZ :NH3+ -162:sc= 0.14 (180deg=0.0752) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc=-0.00244 X(o=-0.0024,f=-0.43) USER MOD Single : A 30 LYS NZ :NH3+ 141:sc= 0.233 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -4.51! C(o=-4.5!,f=-9.9!) USER MOD Single : A 38 SER OG : rot 82:sc= 1.22 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot -45:sc= 1.59 USER MOD Single : A 54 SER OG : rot 180:sc= 0.102 USER MOD Single : A 59 GLN : amide:sc= -0.0242 K(o=-0.024,f=-1.3!) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.0465 X(o=-0.046,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.00107 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.64 USER MOD Single : A 80 ASN : amide:sc= -3.36! C(o=-3.4!,f=-3.4!) USER MOD Single : A 81 THR OG1 : rot 70:sc= 0.163 USER MOD Single : A 86 TYR OH : rot 180:sc= -0.129 USER MOD Single : A 87 CYS SG : rot 90:sc= 0.179 USER MOD Single : A 90 GLN : amide:sc= -0.681 K(o=-0.68,f=-2.9!) USER MOD Single : A 95 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.035) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 63 N VAL A 7 9.374 -5.211 -8.826 1.00 53.43 N ATOM 64 CA VAL A 7 9.932 -6.546 -8.642 1.00 10.44 C ATOM 65 C VAL A 7 11.326 -6.646 -9.250 1.00 51.11 C ATOM 66 O VAL A 7 12.306 -6.893 -8.546 1.00 73.14 O ATOM 67 CB VAL A 7 9.030 -7.623 -9.274 1.00 23.22 C ATOM 68 CG1 VAL A 7 9.606 -9.010 -9.034 1.00 74.32 C ATOM 69 CG2 VAL A 7 7.616 -7.522 -8.724 1.00 52.12 C ATOM 0 HA VAL A 7 9.993 -6.719 -7.568 1.00 10.44 H new ATOM 0 HB VAL A 7 8.990 -7.454 -10.350 1.00 23.22 H new ATOM 0 HG11 VAL A 7 8.955 -9.758 -9.488 1.00 74.32 H new ATOM 0 HG12 VAL A 7 10.598 -9.074 -9.480 1.00 74.32 H new ATOM 0 HG13 VAL A 7 9.678 -9.194 -7.962 1.00 74.32 H new ATOM 0 HG21 VAL A 7 6.992 -8.290 -9.181 1.00 52.12 H new ATOM 0 HG22 VAL A 7 7.635 -7.665 -7.644 1.00 52.12 H new ATOM 0 HG23 VAL A 7 7.206 -6.538 -8.953 1.00 52.12 H new ATOM 79 N LEU A 8 11.409 -6.452 -10.562 1.00 72.31 N ATOM 80 CA LEU A 8 12.685 -6.520 -11.266 1.00 73.13 C ATOM 81 C LEU A 8 12.983 -5.205 -11.980 1.00 61.31 C ATOM 82 O LEU A 8 12.262 -4.806 -12.894 1.00 12.22 O ATOM 83 CB LEU A 8 12.673 -7.670 -12.274 1.00 5.33 C ATOM 84 CG LEU A 8 12.514 -9.074 -11.690 1.00 12.15 C ATOM 85 CD1 LEU A 8 12.365 -10.102 -12.801 1.00 2.22 C ATOM 86 CD2 LEU A 8 13.700 -9.417 -10.799 1.00 54.24 C ATOM 0 H LEU A 8 10.608 -6.246 -11.159 1.00 72.31 H new ATOM 0 HA LEU A 8 13.469 -6.699 -10.530 1.00 73.13 H new ATOM 0 HB2 LEU A 8 11.861 -7.498 -12.981 1.00 5.33 H new ATOM 0 HB3 LEU A 8 13.603 -7.638 -12.842 1.00 5.33 H new ATOM 0 HG LEU A 8 11.609 -9.094 -11.082 1.00 12.15 H new ATOM 0 HD11 LEU A 8 12.253 -11.095 -12.365 1.00 2.22 H new ATOM 0 HD12 LEU A 8 11.484 -9.867 -13.399 1.00 2.22 H new ATOM 0 HD13 LEU A 8 13.251 -10.082 -13.436 1.00 2.22 H new ATOM 0 HD21 LEU A 8 13.571 -10.420 -10.391 1.00 54.24 H new ATOM 0 HD22 LEU A 8 14.618 -9.379 -11.385 1.00 54.24 H new ATOM 0 HD23 LEU A 8 13.761 -8.698 -9.982 1.00 54.24 H new ATOM 98 N SER A 9 14.054 -4.539 -11.558 1.00 1.54 N ATOM 99 CA SER A 9 14.447 -3.268 -12.157 1.00 13.30 C ATOM 100 C SER A 9 14.861 -3.458 -13.612 1.00 63.51 C ATOM 101 O SER A 9 14.698 -4.537 -14.181 1.00 33.00 O ATOM 102 CB SER A 9 15.597 -2.642 -11.365 1.00 13.54 C ATOM 103 OG SER A 9 16.851 -3.108 -11.832 1.00 43.12 O ATOM 0 H SER A 9 14.664 -4.858 -10.805 1.00 1.54 H new ATOM 0 HA SER A 9 13.587 -2.599 -12.127 1.00 13.30 H new ATOM 0 HB2 SER A 9 15.554 -1.556 -11.452 1.00 13.54 H new ATOM 0 HB3 SER A 9 15.487 -2.882 -10.307 1.00 13.54 H new ATOM 0 HG SER A 9 17.569 -2.692 -11.311 1.00 43.12 H new ATOM 109 N GLY A 10 15.399 -2.400 -14.211 1.00 62.25 N ATOM 110 CA GLY A 10 15.829 -2.470 -15.595 1.00 25.10 C ATOM 111 C GLY A 10 16.795 -3.610 -15.846 1.00 61.45 C ATOM 112 O GLY A 10 16.608 -4.401 -16.771 1.00 35.21 O ATOM 0 H GLY A 10 15.545 -1.496 -13.762 1.00 62.25 H new ATOM 0 HA2 GLY A 10 14.957 -2.589 -16.237 1.00 25.10 H new ATOM 0 HA3 GLY A 10 16.303 -1.529 -15.873 1.00 25.10 H new ATOM 116 N GLY A 11 17.834 -3.696 -15.021 1.00 32.11 N ATOM 117 CA GLY A 11 18.820 -4.750 -15.175 1.00 22.11 C ATOM 118 C GLY A 11 18.254 -6.123 -14.867 1.00 11.25 C ATOM 119 O GLY A 11 18.489 -7.077 -15.607 1.00 52.31 O ATOM 0 H GLY A 11 18.011 -3.054 -14.248 1.00 32.11 H new ATOM 0 HA2 GLY A 11 19.203 -4.739 -16.195 1.00 22.11 H new ATOM 0 HA3 GLY A 11 19.665 -4.552 -14.515 1.00 22.11 H new ATOM 123 N GLU A 12 17.507 -6.221 -13.772 1.00 71.12 N ATOM 124 CA GLU A 12 16.908 -7.488 -13.368 1.00 2.14 C ATOM 125 C GLU A 12 15.908 -7.974 -14.413 1.00 64.15 C ATOM 126 O GLU A 12 15.672 -9.175 -14.551 1.00 74.43 O ATOM 127 CB GLU A 12 16.214 -7.340 -12.013 1.00 52.11 C ATOM 128 CG GLU A 12 17.051 -6.606 -10.977 1.00 41.44 C ATOM 129 CD GLU A 12 16.423 -6.630 -9.597 1.00 43.11 C ATOM 130 OE1 GLU A 12 15.590 -5.744 -9.309 1.00 23.14 O ATOM 131 OE2 GLU A 12 16.764 -7.532 -8.804 1.00 43.42 O1- ATOM 0 H GLU A 12 17.302 -5.439 -13.149 1.00 71.12 H new ATOM 0 HA GLU A 12 17.705 -8.226 -13.281 1.00 2.14 H new ATOM 0 HB2 GLU A 12 15.274 -6.807 -12.152 1.00 52.11 H new ATOM 0 HB3 GLU A 12 15.965 -8.330 -11.632 1.00 52.11 H new ATOM 0 HG2 GLU A 12 18.042 -7.058 -10.929 1.00 41.44 H new ATOM 0 HG3 GLU A 12 17.187 -5.572 -11.292 1.00 41.44 H new ATOM 138 N LEU A 13 15.323 -7.035 -15.146 1.00 4.23 N ATOM 139 CA LEU A 13 14.348 -7.366 -16.180 1.00 54.44 C ATOM 140 C LEU A 13 15.012 -8.101 -17.340 1.00 2.54 C ATOM 141 O LEU A 13 14.588 -9.191 -17.722 1.00 33.51 O ATOM 142 CB LEU A 13 13.663 -6.097 -16.689 1.00 72.41 C ATOM 143 CG LEU A 13 12.387 -6.304 -17.506 1.00 34.22 C ATOM 144 CD1 LEU A 13 11.350 -7.064 -16.692 1.00 3.14 C ATOM 145 CD2 LEU A 13 11.828 -4.967 -17.970 1.00 64.40 C ATOM 0 H LEU A 13 15.506 -6.037 -15.044 1.00 4.23 H new ATOM 0 HA LEU A 13 13.598 -8.023 -15.740 1.00 54.44 H new ATOM 0 HB2 LEU A 13 13.423 -5.469 -15.831 1.00 72.41 H new ATOM 0 HB3 LEU A 13 14.376 -5.544 -17.300 1.00 72.41 H new ATOM 0 HG LEU A 13 12.634 -6.897 -18.387 1.00 34.22 H new ATOM 0 HD11 LEU A 13 10.449 -7.202 -17.289 1.00 3.14 H new ATOM 0 HD12 LEU A 13 11.751 -8.037 -16.410 1.00 3.14 H new ATOM 0 HD13 LEU A 13 11.106 -6.497 -15.793 1.00 3.14 H new ATOM 0 HD21 LEU A 13 10.920 -5.134 -18.550 1.00 64.40 H new ATOM 0 HD22 LEU A 13 11.596 -4.349 -17.103 1.00 64.40 H new ATOM 0 HD23 LEU A 13 12.567 -4.459 -18.590 1.00 64.40 H new ATOM 157 N ASP A 14 16.057 -7.495 -17.895 1.00 41.34 N ATOM 158 CA ASP A 14 16.782 -8.093 -19.010 1.00 11.32 C ATOM 159 C ASP A 14 17.197 -9.524 -18.684 1.00 44.44 C ATOM 160 O ASP A 14 16.940 -10.447 -19.458 1.00 61.13 O ATOM 161 CB ASP A 14 18.017 -7.255 -19.350 1.00 43.44 C ATOM 162 CG ASP A 14 17.681 -6.050 -20.206 1.00 12.12 C ATOM 163 OD1 ASP A 14 17.610 -6.202 -21.443 1.00 71.22 O1- ATOM 164 OD2 ASP A 14 17.490 -4.954 -19.638 1.00 42.41 O ATOM 0 H ASP A 14 16.420 -6.592 -17.591 1.00 41.34 H new ATOM 0 HA ASP A 14 16.118 -8.115 -19.874 1.00 11.32 H new ATOM 0 HB2 ASP A 14 18.491 -6.921 -18.427 1.00 43.44 H new ATOM 0 HB3 ASP A 14 18.742 -7.878 -19.873 1.00 43.44 H new ATOM 169 N LYS A 15 17.839 -9.701 -17.535 1.00 44.11 N ATOM 170 CA LYS A 15 18.290 -11.020 -17.106 1.00 0.24 C ATOM 171 C LYS A 15 17.108 -11.964 -16.915 1.00 13.51 C ATOM 172 O LYS A 15 17.184 -13.145 -17.252 1.00 42.31 O ATOM 173 CB LYS A 15 19.084 -10.911 -15.802 1.00 13.43 C ATOM 174 CG LYS A 15 20.564 -10.646 -16.012 1.00 21.40 C ATOM 175 CD LYS A 15 21.107 -9.662 -14.989 1.00 13.40 C ATOM 176 CE LYS A 15 22.480 -9.144 -15.386 1.00 13.10 C ATOM 177 NZ LYS A 15 23.533 -9.572 -14.425 1.00 33.24 N1+ ATOM 0 H LYS A 15 18.059 -8.948 -16.883 1.00 44.11 H new ATOM 0 HA LYS A 15 18.935 -11.426 -17.885 1.00 0.24 H new ATOM 0 HB2 LYS A 15 18.662 -10.109 -15.196 1.00 13.43 H new ATOM 0 HB3 LYS A 15 18.966 -11.835 -15.236 1.00 13.43 H new ATOM 0 HG2 LYS A 15 21.115 -11.584 -15.944 1.00 21.40 H new ATOM 0 HG3 LYS A 15 20.725 -10.254 -17.016 1.00 21.40 H new ATOM 0 HD2 LYS A 15 20.417 -8.824 -14.887 1.00 13.40 H new ATOM 0 HD3 LYS A 15 21.168 -10.146 -14.014 1.00 13.40 H new ATOM 0 HE2 LYS A 15 22.730 -9.505 -16.383 1.00 13.10 H new ATOM 0 HE3 LYS A 15 22.456 -8.055 -15.438 1.00 13.10 H new ATOM 0 HZ1 LYS A 15 24.374 -8.971 -14.541 1.00 33.24 H new ATOM 0 HZ2 LYS A 15 23.174 -9.481 -13.453 1.00 33.24 H new ATOM 0 HZ3 LYS A 15 23.788 -10.563 -14.608 1.00 33.24 H new ATOM 191 N TRP A 16 16.016 -11.434 -16.375 1.00 53.33 N ATOM 192 CA TRP A 16 14.816 -12.231 -16.141 1.00 61.42 C ATOM 193 C TRP A 16 14.296 -12.828 -17.444 1.00 21.23 C ATOM 194 O TRP A 16 14.183 -14.045 -17.577 1.00 4.31 O ATOM 195 CB TRP A 16 13.729 -11.374 -15.488 1.00 44.12 C ATOM 196 CG TRP A 16 12.434 -12.102 -15.296 1.00 45.44 C ATOM 197 CD1 TRP A 16 11.324 -12.021 -16.088 1.00 55.43 C ATOM 198 CD2 TRP A 16 12.114 -13.022 -14.246 1.00 4.14 C ATOM 199 NE1 TRP A 16 10.333 -12.834 -15.592 1.00 13.31 N ATOM 200 CE2 TRP A 16 10.794 -13.460 -14.464 1.00 12.42 C ATOM 201 CE3 TRP A 16 12.816 -13.519 -13.146 1.00 21.51 C ATOM 202 CZ2 TRP A 16 10.163 -14.369 -13.619 1.00 50.31 C ATOM 203 CZ3 TRP A 16 12.188 -14.421 -12.308 1.00 63.53 C ATOM 204 CH2 TRP A 16 10.873 -14.839 -12.548 1.00 3.30 C ATOM 0 H TRP A 16 15.936 -10.458 -16.091 1.00 53.33 H new ATOM 0 HA TRP A 16 15.078 -13.048 -15.468 1.00 61.42 H new ATOM 0 HB2 TRP A 16 14.086 -11.022 -14.520 1.00 44.12 H new ATOM 0 HB3 TRP A 16 13.554 -10.492 -16.103 1.00 44.12 H new ATOM 0 HD1 TRP A 16 11.238 -11.408 -16.973 1.00 55.43 H new ATOM 0 HE1 TRP A 16 9.405 -12.952 -15.998 1.00 13.31 H new ATOM 0 HE3 TRP A 16 13.831 -13.204 -12.954 1.00 21.51 H new ATOM 0 HZ2 TRP A 16 9.149 -14.692 -13.802 1.00 50.31 H new ATOM 0 HZ3 TRP A 16 12.721 -14.810 -11.453 1.00 63.53 H new ATOM 0 HH2 TRP A 16 10.411 -15.546 -11.875 1.00 3.30 H new ATOM 215 N GLU A 17 13.982 -11.962 -18.402 1.00 23.23 N ATOM 216 CA GLU A 17 13.473 -12.405 -19.695 1.00 21.04 C ATOM 217 C GLU A 17 14.436 -13.391 -20.350 1.00 31.10 C ATOM 218 O GLU A 17 14.033 -14.227 -21.158 1.00 3.30 O ATOM 219 CB GLU A 17 13.249 -11.206 -20.618 1.00 4.43 C ATOM 220 CG GLU A 17 12.069 -10.338 -20.213 1.00 22.45 C ATOM 221 CD GLU A 17 11.591 -9.441 -21.338 1.00 43.33 C ATOM 222 OE1 GLU A 17 12.355 -8.540 -21.744 1.00 15.12 O ATOM 223 OE2 GLU A 17 10.454 -9.640 -21.813 1.00 3.14 O1- ATOM 0 H GLU A 17 14.071 -10.950 -18.308 1.00 23.23 H new ATOM 0 HA GLU A 17 12.521 -12.909 -19.528 1.00 21.04 H new ATOM 0 HB2 GLU A 17 14.151 -10.595 -20.631 1.00 4.43 H new ATOM 0 HB3 GLU A 17 13.093 -11.565 -21.635 1.00 4.43 H new ATOM 0 HG2 GLU A 17 11.247 -10.977 -19.889 1.00 22.45 H new ATOM 0 HG3 GLU A 17 12.351 -9.723 -19.358 1.00 22.45 H new ATOM 230 N LYS A 18 15.712 -13.288 -19.993 1.00 21.11 N ATOM 231 CA LYS A 18 16.735 -14.170 -20.543 1.00 4.13 C ATOM 232 C LYS A 18 16.634 -15.565 -19.936 1.00 33.32 C ATOM 233 O LYS A 18 16.559 -16.561 -20.655 1.00 63.31 O ATOM 234 CB LYS A 18 18.128 -13.590 -20.289 1.00 24.11 C ATOM 235 CG LYS A 18 18.843 -13.148 -21.554 1.00 33.41 C ATOM 236 CD LYS A 18 20.029 -14.045 -21.867 1.00 12.02 C ATOM 237 CE LYS A 18 19.581 -15.438 -22.278 1.00 60.45 C ATOM 238 NZ LYS A 18 20.151 -16.488 -21.390 1.00 74.44 N1+ ATOM 0 H LYS A 18 16.063 -12.602 -19.325 1.00 21.11 H new ATOM 0 HA LYS A 18 16.572 -14.249 -21.618 1.00 4.13 H new ATOM 0 HB2 LYS A 18 18.040 -12.738 -19.615 1.00 24.11 H new ATOM 0 HB3 LYS A 18 18.736 -14.338 -19.780 1.00 24.11 H new ATOM 0 HG2 LYS A 18 18.145 -13.161 -22.391 1.00 33.41 H new ATOM 0 HG3 LYS A 18 19.184 -12.119 -21.440 1.00 33.41 H new ATOM 0 HD2 LYS A 18 20.621 -13.601 -22.667 1.00 12.02 H new ATOM 0 HD3 LYS A 18 20.676 -14.113 -20.992 1.00 12.02 H new ATOM 0 HE2 LYS A 18 18.493 -15.492 -22.252 1.00 60.45 H new ATOM 0 HE3 LYS A 18 19.885 -15.628 -23.307 1.00 60.45 H new ATOM 0 HZ1 LYS A 18 19.822 -17.424 -21.703 1.00 74.44 H new ATOM 0 HZ2 LYS A 18 21.190 -16.454 -21.434 1.00 74.44 H new ATOM 0 HZ3 LYS A 18 19.840 -16.321 -20.412 1.00 74.44 H new ATOM 252 N ILE A 19 16.632 -15.628 -18.609 1.00 75.11 N ATOM 253 CA ILE A 19 16.538 -16.902 -17.905 1.00 42.02 C ATOM 254 C ILE A 19 15.356 -17.722 -18.409 1.00 1.10 C ATOM 255 O ILE A 19 14.302 -17.175 -18.736 1.00 43.21 O ATOM 256 CB ILE A 19 16.396 -16.696 -16.385 1.00 44.34 C ATOM 257 CG1 ILE A 19 17.587 -15.907 -15.841 1.00 21.24 C ATOM 258 CG2 ILE A 19 16.275 -18.039 -15.679 1.00 14.15 C ATOM 259 CD1 ILE A 19 17.196 -14.809 -14.877 1.00 12.25 C ATOM 0 H ILE A 19 16.694 -14.813 -17.999 1.00 75.11 H new ATOM 0 HA ILE A 19 17.463 -17.443 -18.105 1.00 42.02 H new ATOM 0 HB ILE A 19 15.489 -16.123 -16.194 1.00 44.34 H new ATOM 0 HG12 ILE A 19 18.269 -16.594 -15.339 1.00 21.24 H new ATOM 0 HG13 ILE A 19 18.134 -15.469 -16.676 1.00 21.24 H new ATOM 0 HG21 ILE A 19 16.175 -17.878 -14.606 1.00 14.15 H new ATOM 0 HG22 ILE A 19 15.397 -18.567 -16.050 1.00 14.15 H new ATOM 0 HG23 ILE A 19 17.166 -18.635 -15.875 1.00 14.15 H new ATOM 0 HD11 ILE A 19 18.091 -14.292 -14.532 1.00 12.25 H new ATOM 0 HD12 ILE A 19 16.539 -14.100 -15.380 1.00 12.25 H new ATOM 0 HD13 ILE A 19 16.676 -15.243 -14.023 1.00 12.25 H new ATOM 271 N ARG A 20 15.537 -19.038 -18.468 1.00 20.32 N ATOM 272 CA ARG A 20 14.485 -19.934 -18.931 1.00 31.51 C ATOM 273 C ARG A 20 13.882 -20.712 -17.766 1.00 54.01 C ATOM 274 O ARG A 20 14.518 -20.886 -16.725 1.00 41.31 O ATOM 275 CB ARG A 20 15.037 -20.906 -19.976 1.00 32.23 C ATOM 276 CG ARG A 20 15.858 -20.231 -21.062 1.00 21.12 C ATOM 277 CD ARG A 20 16.314 -21.227 -22.117 1.00 21.43 C ATOM 278 NE ARG A 20 16.463 -20.605 -23.429 1.00 25.14 N ATOM 279 CZ ARG A 20 16.838 -21.267 -24.518 1.00 54.00 C ATOM 280 NH1 ARG A 20 17.099 -22.565 -24.451 1.00 61.41 N1+ ATOM 281 NH2 ARG A 20 16.951 -20.631 -25.677 1.00 65.41 N ATOM 0 H ARG A 20 16.403 -19.507 -18.201 1.00 20.32 H new ATOM 0 HA ARG A 20 13.701 -19.329 -19.386 1.00 31.51 H new ATOM 0 HB2 ARG A 20 15.655 -21.652 -19.476 1.00 32.23 H new ATOM 0 HB3 ARG A 20 14.206 -21.439 -20.439 1.00 32.23 H new ATOM 0 HG2 ARG A 20 15.265 -19.447 -21.533 1.00 21.12 H new ATOM 0 HG3 ARG A 20 16.728 -19.749 -20.615 1.00 21.12 H new ATOM 0 HD2 ARG A 20 17.265 -21.666 -21.814 1.00 21.43 H new ATOM 0 HD3 ARG A 20 15.593 -22.042 -22.182 1.00 21.43 H new ATOM 0 HE ARG A 20 16.269 -19.607 -23.514 1.00 25.14 H new ATOM 0 HH11 ARG A 20 17.012 -23.057 -23.562 1.00 61.41 H new ATOM 0 HH12 ARG A 20 17.387 -23.071 -25.288 1.00 61.41 H new ATOM 0 HH21 ARG A 20 16.750 -19.633 -25.733 1.00 65.41 H new ATOM 0 HH22 ARG A 20 17.239 -21.141 -26.512 1.00 65.41 H new ATOM 295 N LEU A 21 12.650 -21.177 -17.946 1.00 64.10 N ATOM 296 CA LEU A 21 11.959 -21.937 -16.910 1.00 60.51 C ATOM 297 C LEU A 21 12.565 -23.329 -16.761 1.00 52.01 C ATOM 298 O LEU A 21 12.492 -23.937 -15.693 1.00 72.24 O ATOM 299 CB LEU A 21 10.470 -22.048 -17.239 1.00 43.32 C ATOM 300 CG LEU A 21 9.760 -20.740 -17.588 1.00 4.10 C ATOM 301 CD1 LEU A 21 8.775 -20.955 -18.726 1.00 2.42 C ATOM 302 CD2 LEU A 21 9.051 -20.176 -16.366 1.00 22.32 C ATOM 0 H LEU A 21 12.109 -21.041 -18.800 1.00 64.10 H new ATOM 0 HA LEU A 21 12.077 -21.407 -15.965 1.00 60.51 H new ATOM 0 HB2 LEU A 21 10.354 -22.736 -18.077 1.00 43.32 H new ATOM 0 HB3 LEU A 21 9.962 -22.497 -16.385 1.00 43.32 H new ATOM 0 HG LEU A 21 10.509 -20.018 -17.914 1.00 4.10 H new ATOM 0 HD11 LEU A 21 8.279 -20.013 -18.961 1.00 2.42 H new ATOM 0 HD12 LEU A 21 9.309 -21.313 -19.606 1.00 2.42 H new ATOM 0 HD13 LEU A 21 8.030 -21.693 -18.428 1.00 2.42 H new ATOM 0 HD21 LEU A 21 8.551 -19.245 -16.633 1.00 22.32 H new ATOM 0 HD22 LEU A 21 8.313 -20.895 -16.009 1.00 22.32 H new ATOM 0 HD23 LEU A 21 9.780 -19.984 -15.579 1.00 22.32 H new ATOM 314 N ARG A 22 13.164 -23.827 -17.837 1.00 22.23 N ATOM 315 CA ARG A 22 13.783 -25.147 -17.826 1.00 14.05 C ATOM 316 C ARG A 22 15.085 -25.145 -18.623 1.00 12.24 C ATOM 317 O ARG A 22 15.323 -24.279 -19.466 1.00 53.14 O ATOM 318 CB ARG A 22 12.823 -26.189 -18.400 1.00 43.54 C ATOM 319 CG ARG A 22 11.995 -26.903 -17.344 1.00 72.25 C ATOM 320 CD ARG A 22 11.413 -28.203 -17.877 1.00 73.12 C ATOM 321 NE ARG A 22 9.993 -28.336 -17.563 1.00 43.53 N ATOM 322 CZ ARG A 22 9.533 -28.668 -16.361 1.00 64.32 C ATOM 323 NH1 ARG A 22 10.378 -28.901 -15.366 1.00 22.45 N1+ ATOM 324 NH2 ARG A 22 8.227 -28.769 -16.154 1.00 1.21 N ATOM 0 H ARG A 22 13.234 -23.336 -18.728 1.00 22.23 H new ATOM 0 HA ARG A 22 14.011 -25.404 -16.792 1.00 14.05 H new ATOM 0 HB2 ARG A 22 12.152 -25.701 -19.107 1.00 43.54 H new ATOM 0 HB3 ARG A 22 13.395 -26.928 -18.961 1.00 43.54 H new ATOM 0 HG2 ARG A 22 12.616 -27.111 -16.473 1.00 72.25 H new ATOM 0 HG3 ARG A 22 11.187 -26.251 -17.011 1.00 72.25 H new ATOM 0 HD2 ARG A 22 11.551 -28.246 -18.957 1.00 73.12 H new ATOM 0 HD3 ARG A 22 11.959 -29.046 -17.452 1.00 73.12 H new ATOM 0 HE ARG A 22 9.317 -28.165 -18.307 1.00 43.53 H new ATOM 0 HH11 ARG A 22 11.383 -28.826 -15.522 1.00 22.45 H new ATOM 0 HH12 ARG A 22 10.023 -29.156 -14.444 1.00 22.45 H new ATOM 0 HH21 ARG A 22 7.574 -28.592 -16.918 1.00 1.21 H new ATOM 0 HH22 ARG A 22 7.875 -29.024 -15.231 1.00 1.21 H new ATOM 338 N PRO A 23 15.946 -26.135 -18.351 1.00 61.41 N ATOM 339 CA PRO A 23 17.238 -26.268 -19.032 1.00 60.05 C ATOM 340 C PRO A 23 17.083 -26.672 -20.493 1.00 45.34 C ATOM 341 O PRO A 23 17.794 -26.173 -21.364 1.00 42.22 O ATOM 342 CB PRO A 23 17.941 -27.376 -18.243 1.00 63.20 C ATOM 343 CG PRO A 23 16.837 -28.176 -17.643 1.00 3.31 C ATOM 344 CD PRO A 23 15.728 -27.200 -17.358 1.00 65.15 C ATOM 0 HA PRO A 23 17.787 -25.327 -19.054 1.00 60.05 H new ATOM 0 HB2 PRO A 23 18.566 -27.989 -18.893 1.00 63.20 H new ATOM 0 HB3 PRO A 23 18.592 -26.961 -17.474 1.00 63.20 H new ATOM 0 HG2 PRO A 23 16.504 -28.957 -18.327 1.00 3.31 H new ATOM 0 HG3 PRO A 23 17.166 -28.671 -16.729 1.00 3.31 H new ATOM 0 HD2 PRO A 23 14.747 -27.662 -17.473 1.00 65.15 H new ATOM 0 HD3 PRO A 23 15.782 -26.816 -16.339 1.00 65.15 H new ATOM 352 N GLY A 24 16.148 -27.581 -20.757 1.00 24.53 N ATOM 353 CA GLY A 24 15.917 -28.036 -22.115 1.00 51.02 C ATOM 354 C GLY A 24 14.568 -27.600 -22.651 1.00 20.31 C ATOM 355 O GLY A 24 13.920 -28.336 -23.394 1.00 23.24 O ATOM 0 H GLY A 24 15.547 -28.010 -20.054 1.00 24.53 H new ATOM 0 HA2 GLY A 24 16.704 -27.650 -22.763 1.00 51.02 H new ATOM 0 HA3 GLY A 24 15.983 -29.124 -22.147 1.00 51.02 H new ATOM 359 N GLY A 25 14.142 -26.398 -22.272 1.00 61.32 N ATOM 360 CA GLY A 25 12.863 -25.887 -22.727 1.00 63.22 C ATOM 361 C GLY A 25 12.986 -25.059 -23.991 1.00 70.25 C ATOM 362 O GLY A 25 14.089 -24.838 -24.492 1.00 10.24 O ATOM 0 H GLY A 25 14.660 -25.770 -21.658 1.00 61.32 H new ATOM 0 HA2 GLY A 25 12.185 -26.721 -22.907 1.00 63.22 H new ATOM 0 HA3 GLY A 25 12.417 -25.279 -21.940 1.00 63.22 H new ATOM 366 N LYS A 26 11.851 -24.603 -24.511 1.00 60.24 N ATOM 367 CA LYS A 26 11.835 -23.796 -25.725 1.00 22.11 C ATOM 368 C LYS A 26 11.204 -22.433 -25.464 1.00 20.53 C ATOM 369 O LYS A 26 10.666 -21.800 -26.373 1.00 62.44 O ATOM 370 CB LYS A 26 11.068 -24.521 -26.833 1.00 3.13 C ATOM 371 CG LYS A 26 11.740 -24.437 -28.193 1.00 74.03 C ATOM 372 CD LYS A 26 11.940 -25.815 -28.802 1.00 54.10 C ATOM 373 CE LYS A 26 13.273 -26.419 -28.388 1.00 55.22 C ATOM 374 NZ LYS A 26 13.346 -27.873 -28.706 1.00 31.44 N1+ ATOM 0 H LYS A 26 10.930 -24.779 -24.110 1.00 60.24 H new ATOM 0 HA LYS A 26 12.866 -23.644 -26.044 1.00 22.11 H new ATOM 0 HB2 LYS A 26 10.953 -25.569 -26.558 1.00 3.13 H new ATOM 0 HB3 LYS A 26 10.066 -24.099 -26.906 1.00 3.13 H new ATOM 0 HG2 LYS A 26 11.134 -23.827 -28.862 1.00 74.03 H new ATOM 0 HG3 LYS A 26 12.704 -23.939 -28.093 1.00 74.03 H new ATOM 0 HD2 LYS A 26 11.129 -26.473 -28.490 1.00 54.10 H new ATOM 0 HD3 LYS A 26 11.893 -25.744 -29.889 1.00 54.10 H new ATOM 0 HE2 LYS A 26 14.083 -25.895 -28.896 1.00 55.22 H new ATOM 0 HE3 LYS A 26 13.421 -26.273 -27.318 1.00 55.22 H new ATOM 0 HZ1 LYS A 26 14.270 -28.247 -28.409 1.00 31.44 H new ATOM 0 HZ2 LYS A 26 12.589 -28.377 -28.201 1.00 31.44 H new ATOM 0 HZ3 LYS A 26 13.230 -28.011 -29.730 1.00 31.44 H new ATOM 388 N LYS A 27 11.276 -21.982 -24.216 1.00 52.01 N ATOM 389 CA LYS A 27 10.715 -20.692 -23.833 1.00 4.35 C ATOM 390 C LYS A 27 11.515 -20.065 -22.697 1.00 33.13 C ATOM 391 O LYS A 27 12.207 -20.763 -21.956 1.00 54.11 O ATOM 392 CB LYS A 27 9.252 -20.852 -23.414 1.00 41.14 C ATOM 393 CG LYS A 27 8.285 -20.894 -24.584 1.00 52.14 C ATOM 394 CD LYS A 27 7.697 -22.283 -24.772 1.00 72.20 C ATOM 395 CE LYS A 27 6.822 -22.682 -23.594 1.00 72.03 C ATOM 396 NZ LYS A 27 5.942 -23.838 -23.922 1.00 2.13 N1+ ATOM 0 H LYS A 27 11.718 -22.492 -23.451 1.00 52.01 H new ATOM 0 HA LYS A 27 10.768 -20.031 -24.698 1.00 4.35 H new ATOM 0 HB2 LYS A 27 9.147 -21.769 -22.834 1.00 41.14 H new ATOM 0 HB3 LYS A 27 8.979 -20.026 -22.757 1.00 41.14 H new ATOM 0 HG2 LYS A 27 7.481 -20.177 -24.419 1.00 52.14 H new ATOM 0 HG3 LYS A 27 8.801 -20.590 -25.495 1.00 52.14 H new ATOM 0 HD2 LYS A 27 7.108 -22.309 -25.689 1.00 72.20 H new ATOM 0 HD3 LYS A 27 8.503 -23.007 -24.890 1.00 72.20 H new ATOM 0 HE2 LYS A 27 7.453 -22.936 -22.743 1.00 72.03 H new ATOM 0 HE3 LYS A 27 6.209 -21.833 -23.293 1.00 72.03 H new ATOM 0 HZ1 LYS A 27 5.362 -24.079 -23.093 1.00 2.13 H new ATOM 0 HZ2 LYS A 27 5.321 -23.587 -24.718 1.00 2.13 H new ATOM 0 HZ3 LYS A 27 6.527 -24.657 -24.184 1.00 2.13 H new ATOM 410 N GLN A 28 11.414 -18.746 -22.564 1.00 62.41 N ATOM 411 CA GLN A 28 12.128 -18.027 -21.516 1.00 74.51 C ATOM 412 C GLN A 28 11.168 -17.550 -20.431 1.00 3.31 C ATOM 413 O GLN A 28 9.985 -17.889 -20.443 1.00 2.25 O ATOM 414 CB GLN A 28 12.882 -16.835 -22.108 1.00 1.20 C ATOM 415 CG GLN A 28 13.641 -17.167 -23.383 1.00 72.32 C ATOM 416 CD GLN A 28 14.494 -16.013 -23.871 1.00 61.03 C ATOM 417 OE1 GLN A 28 14.061 -14.860 -23.864 1.00 21.21 O ATOM 418 NE2 GLN A 28 15.713 -16.318 -24.299 1.00 4.02 N ATOM 0 H GLN A 28 10.845 -18.154 -23.169 1.00 62.41 H new ATOM 0 HA GLN A 28 12.845 -18.713 -21.064 1.00 74.51 H new ATOM 0 HB2 GLN A 28 12.173 -16.034 -22.316 1.00 1.20 H new ATOM 0 HB3 GLN A 28 13.584 -16.455 -21.366 1.00 1.20 H new ATOM 0 HG2 GLN A 28 14.277 -18.035 -23.207 1.00 72.32 H new ATOM 0 HG3 GLN A 28 12.931 -17.444 -24.162 1.00 72.32 H new ATOM 0 HE21 GLN A 28 16.030 -17.287 -24.287 1.00 4.02 H new ATOM 0 HE22 GLN A 28 16.333 -15.583 -24.640 1.00 4.02 H new ATOM 427 N TYR A 29 11.686 -16.761 -19.496 1.00 53.43 N ATOM 428 CA TYR A 29 10.874 -16.239 -18.402 1.00 63.50 C ATOM 429 C TYR A 29 10.150 -14.964 -18.822 1.00 23.03 C ATOM 430 O TYR A 29 10.636 -14.208 -19.664 1.00 34.31 O ATOM 431 CB TYR A 29 11.748 -15.965 -17.177 1.00 4.43 C ATOM 432 CG TYR A 29 11.688 -17.055 -16.133 1.00 61.24 C ATOM 433 CD1 TYR A 29 10.615 -17.145 -15.253 1.00 4.05 C ATOM 434 CD2 TYR A 29 12.703 -17.998 -16.025 1.00 21.23 C ATOM 435 CE1 TYR A 29 10.557 -18.139 -14.298 1.00 14.21 C ATOM 436 CE2 TYR A 29 12.651 -18.997 -15.073 1.00 35.21 C ATOM 437 CZ TYR A 29 11.576 -19.063 -14.211 1.00 65.25 C ATOM 438 OH TYR A 29 11.522 -20.057 -13.259 1.00 5.42 O ATOM 0 H TYR A 29 12.663 -16.469 -19.473 1.00 53.43 H new ATOM 0 HA TYR A 29 10.127 -16.990 -18.146 1.00 63.50 H new ATOM 0 HB2 TYR A 29 12.782 -15.840 -17.500 1.00 4.43 H new ATOM 0 HB3 TYR A 29 11.439 -15.023 -16.724 1.00 4.43 H new ATOM 0 HD1 TYR A 29 9.813 -16.424 -15.318 1.00 4.05 H new ATOM 0 HD2 TYR A 29 13.547 -17.949 -16.697 1.00 21.23 H new ATOM 0 HE1 TYR A 29 9.717 -18.193 -13.622 1.00 14.21 H new ATOM 0 HE2 TYR A 29 13.448 -19.723 -15.004 1.00 35.21 H new ATOM 0 HH TYR A 29 12.175 -20.755 -13.477 1.00 5.42 H new ATOM 448 N LYS A 30 8.985 -14.729 -18.228 1.00 52.12 N ATOM 449 CA LYS A 30 8.193 -13.545 -18.537 1.00 41.23 C ATOM 450 C LYS A 30 7.391 -13.095 -17.320 1.00 21.30 C ATOM 451 O LYS A 30 7.283 -13.821 -16.331 1.00 22.31 O ATOM 452 CB LYS A 30 7.248 -13.828 -19.707 1.00 75.12 C ATOM 453 CG LYS A 30 7.250 -12.741 -20.767 1.00 51.23 C ATOM 454 CD LYS A 30 8.076 -13.144 -21.977 1.00 3.21 C ATOM 455 CE LYS A 30 8.150 -12.020 -23.001 1.00 51.44 C ATOM 456 NZ LYS A 30 9.484 -11.955 -23.657 1.00 23.41 N1+ ATOM 0 H LYS A 30 8.568 -15.344 -17.529 1.00 52.12 H new ATOM 0 HA LYS A 30 8.877 -12.744 -18.817 1.00 41.23 H new ATOM 0 HB2 LYS A 30 7.529 -14.775 -20.169 1.00 75.12 H new ATOM 0 HB3 LYS A 30 6.235 -13.948 -19.324 1.00 75.12 H new ATOM 0 HG2 LYS A 30 6.226 -12.532 -21.077 1.00 51.23 H new ATOM 0 HG3 LYS A 30 7.649 -11.819 -20.344 1.00 51.23 H new ATOM 0 HD2 LYS A 30 9.083 -13.414 -21.658 1.00 3.21 H new ATOM 0 HD3 LYS A 30 7.639 -14.030 -22.438 1.00 3.21 H new ATOM 0 HE2 LYS A 30 7.380 -12.167 -23.758 1.00 51.44 H new ATOM 0 HE3 LYS A 30 7.939 -11.069 -22.512 1.00 51.44 H new ATOM 0 HZ1 LYS A 30 9.364 -11.734 -24.666 1.00 23.41 H new ATOM 0 HZ2 LYS A 30 10.057 -11.214 -23.206 1.00 23.41 H new ATOM 0 HZ3 LYS A 30 9.964 -12.872 -23.558 1.00 23.41 H new ATOM 470 N LEU A 31 6.828 -11.894 -17.399 1.00 42.35 N ATOM 471 CA LEU A 31 6.033 -11.347 -16.305 1.00 71.45 C ATOM 472 C LEU A 31 4.921 -12.312 -15.904 1.00 24.22 C ATOM 473 O LEU A 31 4.478 -12.323 -14.756 1.00 10.21 O ATOM 474 CB LEU A 31 5.434 -9.999 -16.707 1.00 73.05 C ATOM 475 CG LEU A 31 6.417 -8.967 -17.264 1.00 54.54 C ATOM 476 CD1 LEU A 31 5.668 -7.770 -17.829 1.00 72.10 C ATOM 477 CD2 LEU A 31 7.396 -8.527 -16.186 1.00 60.05 C ATOM 0 H LEU A 31 6.907 -11.280 -18.210 1.00 42.35 H new ATOM 0 HA LEU A 31 6.691 -11.203 -15.448 1.00 71.45 H new ATOM 0 HB2 LEU A 31 4.661 -10.176 -17.455 1.00 73.05 H new ATOM 0 HB3 LEU A 31 4.941 -9.568 -15.835 1.00 73.05 H new ATOM 0 HG LEU A 31 6.983 -9.430 -18.072 1.00 54.54 H new ATOM 0 HD11 LEU A 31 6.382 -7.046 -18.221 1.00 72.10 H new ATOM 0 HD12 LEU A 31 5.008 -8.099 -18.631 1.00 72.10 H new ATOM 0 HD13 LEU A 31 5.076 -7.306 -17.040 1.00 72.10 H new ATOM 0 HD21 LEU A 31 8.087 -7.793 -16.600 1.00 60.05 H new ATOM 0 HD22 LEU A 31 6.847 -8.081 -15.356 1.00 60.05 H new ATOM 0 HD23 LEU A 31 7.956 -9.391 -15.828 1.00 60.05 H new ATOM 489 N LYS A 32 4.477 -13.123 -16.859 1.00 31.32 N ATOM 490 CA LYS A 32 3.420 -14.094 -16.606 1.00 54.21 C ATOM 491 C LYS A 32 3.747 -14.951 -15.387 1.00 43.32 C ATOM 492 O LYS A 32 2.855 -15.345 -14.635 1.00 74.11 O ATOM 493 CB LYS A 32 3.217 -14.988 -17.831 1.00 41.43 C ATOM 494 CG LYS A 32 1.758 -15.276 -18.140 1.00 2.22 C ATOM 495 CD LYS A 32 1.518 -16.759 -18.368 1.00 42.51 C ATOM 496 CE LYS A 32 0.981 -17.436 -17.116 1.00 4.14 C ATOM 497 NZ LYS A 32 0.908 -18.915 -17.274 1.00 35.24 N1+ ATOM 0 H LYS A 32 4.833 -13.127 -17.815 1.00 31.32 H new ATOM 0 HA LYS A 32 2.499 -13.546 -16.406 1.00 54.21 H new ATOM 0 HB2 LYS A 32 3.676 -14.512 -18.698 1.00 41.43 H new ATOM 0 HB3 LYS A 32 3.739 -15.932 -17.672 1.00 41.43 H new ATOM 0 HG2 LYS A 32 1.135 -14.928 -17.316 1.00 2.22 H new ATOM 0 HG3 LYS A 32 1.456 -14.717 -19.026 1.00 2.22 H new ATOM 0 HD2 LYS A 32 0.811 -16.893 -19.187 1.00 42.51 H new ATOM 0 HD3 LYS A 32 2.450 -17.237 -18.670 1.00 42.51 H new ATOM 0 HE2 LYS A 32 1.621 -17.192 -16.268 1.00 4.14 H new ATOM 0 HE3 LYS A 32 -0.011 -17.045 -16.889 1.00 4.14 H new ATOM 0 HZ1 LYS A 32 0.537 -19.340 -16.400 1.00 35.24 H new ATOM 0 HZ2 LYS A 32 0.277 -19.149 -18.067 1.00 35.24 H new ATOM 0 HZ3 LYS A 32 1.859 -19.291 -17.466 1.00 35.24 H new ATOM 511 N HIS A 33 5.031 -15.236 -15.197 1.00 65.20 N ATOM 512 CA HIS A 33 5.478 -16.044 -14.068 1.00 44.14 C ATOM 513 C HIS A 33 5.592 -15.196 -12.806 1.00 35.30 C ATOM 514 O HIS A 33 5.381 -15.754 -11.728 1.00 2.55 O ATOM 515 CB HIS A 33 6.825 -16.698 -14.382 1.00 14.14 C ATOM 516 CG HIS A 33 6.879 -17.340 -15.734 1.00 13.34 C ATOM 517 ND1 HIS A 33 7.760 -16.948 -16.719 1.00 33.00 N ATOM 518 CD2 HIS A 33 6.154 -18.353 -16.262 1.00 74.35 C ATOM 519 CE1 HIS A 33 7.575 -17.692 -17.793 1.00 45.34 C ATOM 520 NE2 HIS A 33 6.605 -18.554 -17.542 1.00 62.13 N ATOM 0 H HIS A 33 5.781 -14.919 -15.811 1.00 65.20 H new ATOM 0 HA HIS A 33 4.737 -16.824 -13.895 1.00 44.14 H new ATOM 0 HB2 HIS A 33 7.610 -15.944 -14.315 1.00 14.14 H new ATOM 0 HB3 HIS A 33 7.040 -17.450 -13.623 1.00 14.14 H new ATOM 0 HD2 HIS A 33 5.366 -18.902 -15.767 1.00 74.35 H new ATOM 0 HE1 HIS A 33 8.123 -17.610 -18.720 1.00 45.34 H new ATOM 0 HE2 HIS A 33 6.250 -19.254 -18.193 1.00 62.13 H new ATOM 528 N ILE A 34 5.910 -13.910 -12.904 1.00 23.22 N ATOM 529 CA ILE A 34 6.029 -13.060 -11.726 1.00 31.44 C ATOM 530 C ILE A 34 4.660 -12.743 -11.136 1.00 34.24 C ATOM 531 O ILE A 34 4.499 -12.672 -9.917 1.00 53.04 O ATOM 532 CB ILE A 34 6.752 -11.741 -12.054 1.00 31.15 C ATOM 533 CG1 ILE A 34 8.093 -12.024 -12.735 1.00 71.51 C ATOM 534 CG2 ILE A 34 6.957 -10.919 -10.790 1.00 51.12 C ATOM 535 CD1 ILE A 34 8.778 -10.782 -13.263 1.00 14.12 C ATOM 0 H ILE A 34 6.090 -13.433 -13.788 1.00 23.22 H new ATOM 0 HA ILE A 34 6.617 -13.615 -10.995 1.00 31.44 H new ATOM 0 HB ILE A 34 6.131 -11.166 -12.741 1.00 31.15 H new ATOM 0 HG12 ILE A 34 8.755 -12.519 -12.024 1.00 71.51 H new ATOM 0 HG13 ILE A 34 7.933 -12.719 -13.559 1.00 71.51 H new ATOM 0 HG21 ILE A 34 7.469 -9.990 -11.039 1.00 51.12 H new ATOM 0 HG22 ILE A 34 5.989 -10.691 -10.343 1.00 51.12 H new ATOM 0 HG23 ILE A 34 7.559 -11.486 -10.081 1.00 51.12 H new ATOM 0 HD11 ILE A 34 9.722 -11.059 -13.732 1.00 14.12 H new ATOM 0 HD12 ILE A 34 8.136 -10.297 -13.998 1.00 14.12 H new ATOM 0 HD13 ILE A 34 8.970 -10.094 -12.439 1.00 14.12 H new ATOM 547 N VAL A 35 3.674 -12.554 -12.007 1.00 62.14 N ATOM 548 CA VAL A 35 2.317 -12.248 -11.572 1.00 5.32 C ATOM 549 C VAL A 35 1.616 -13.492 -11.040 1.00 72.24 C ATOM 550 O VAL A 35 0.859 -13.424 -10.072 1.00 34.30 O ATOM 551 CB VAL A 35 1.481 -11.653 -12.722 1.00 53.43 C ATOM 552 CG1 VAL A 35 0.061 -11.369 -12.257 1.00 52.32 C ATOM 553 CG2 VAL A 35 2.137 -10.391 -13.260 1.00 41.11 C ATOM 0 H VAL A 35 3.790 -12.608 -13.019 1.00 62.14 H new ATOM 0 HA VAL A 35 2.399 -11.512 -10.772 1.00 5.32 H new ATOM 0 HB VAL A 35 1.434 -12.383 -13.530 1.00 53.43 H new ATOM 0 HG11 VAL A 35 -0.515 -10.949 -13.082 1.00 52.32 H new ATOM 0 HG12 VAL A 35 -0.405 -12.296 -11.924 1.00 52.32 H new ATOM 0 HG13 VAL A 35 0.084 -10.658 -11.432 1.00 52.32 H new ATOM 0 HG21 VAL A 35 1.533 -9.985 -14.071 1.00 41.11 H new ATOM 0 HG22 VAL A 35 2.216 -9.653 -12.462 1.00 41.11 H new ATOM 0 HG23 VAL A 35 3.133 -10.629 -13.633 1.00 41.11 H new ATOM 563 N TRP A 36 1.875 -14.629 -11.678 1.00 33.14 N ATOM 564 CA TRP A 36 1.269 -15.890 -11.266 1.00 45.40 C ATOM 565 C TRP A 36 1.676 -16.251 -9.842 1.00 43.35 C ATOM 566 O TRP A 36 0.831 -16.583 -9.011 1.00 25.22 O ATOM 567 CB TRP A 36 1.675 -17.010 -12.226 1.00 51.21 C ATOM 568 CG TRP A 36 1.131 -18.352 -11.836 1.00 11.20 C ATOM 569 CD1 TRP A 36 -0.146 -18.803 -12.017 1.00 21.04 C ATOM 570 CD2 TRP A 36 1.848 -19.415 -11.198 1.00 10.12 C ATOM 571 NE1 TRP A 36 -0.265 -20.082 -11.530 1.00 42.35 N ATOM 572 CE2 TRP A 36 0.943 -20.480 -11.024 1.00 72.13 C ATOM 573 CE3 TRP A 36 3.165 -19.570 -10.760 1.00 3.01 C ATOM 574 CZ2 TRP A 36 1.317 -21.683 -10.428 1.00 10.42 C ATOM 575 CZ3 TRP A 36 3.534 -20.764 -10.169 1.00 5.14 C ATOM 576 CH2 TRP A 36 2.613 -21.807 -10.008 1.00 55.52 C ATOM 0 H TRP A 36 2.499 -14.703 -12.481 1.00 33.14 H new ATOM 0 HA TRP A 36 0.186 -15.771 -11.294 1.00 45.40 H new ATOM 0 HB2 TRP A 36 1.328 -16.763 -13.229 1.00 51.21 H new ATOM 0 HB3 TRP A 36 2.763 -17.065 -12.269 1.00 51.21 H new ATOM 0 HD1 TRP A 36 -0.944 -18.238 -12.475 1.00 21.04 H new ATOM 0 HE1 TRP A 36 -1.116 -20.644 -11.543 1.00 42.35 H new ATOM 0 HE3 TRP A 36 3.882 -18.772 -10.881 1.00 3.01 H new ATOM 0 HZ2 TRP A 36 0.609 -22.489 -10.302 1.00 10.42 H new ATOM 0 HZ3 TRP A 36 4.550 -20.895 -9.826 1.00 5.14 H new ATOM 0 HH2 TRP A 36 2.933 -22.728 -9.543 1.00 55.52 H new ATOM 587 N ALA A 37 2.975 -16.184 -9.568 1.00 55.43 N ATOM 588 CA ALA A 37 3.492 -16.503 -8.242 1.00 45.40 C ATOM 589 C ALA A 37 2.926 -15.555 -7.190 1.00 72.02 C ATOM 590 O ALA A 37 2.791 -15.920 -6.022 1.00 12.43 O ATOM 591 CB ALA A 37 5.013 -16.447 -8.243 1.00 53.22 C ATOM 0 H ALA A 37 3.688 -15.912 -10.245 1.00 55.43 H new ATOM 0 HA ALA A 37 3.176 -17.515 -7.988 1.00 45.40 H new ATOM 0 HB1 ALA A 37 5.387 -16.687 -7.248 1.00 53.22 H new ATOM 0 HB2 ALA A 37 5.403 -17.169 -8.961 1.00 53.22 H new ATOM 0 HB3 ALA A 37 5.340 -15.445 -8.521 1.00 53.22 H new ATOM 597 N SER A 38 2.598 -14.338 -7.611 1.00 2.04 N ATOM 598 CA SER A 38 2.051 -13.337 -6.704 1.00 12.23 C ATOM 599 C SER A 38 0.675 -13.758 -6.196 1.00 35.52 C ATOM 600 O SER A 38 0.361 -13.594 -5.016 1.00 45.02 O ATOM 601 CB SER A 38 1.954 -11.981 -7.405 1.00 21.22 C ATOM 602 OG SER A 38 3.231 -11.533 -7.830 1.00 55.23 O ATOM 0 H SER A 38 2.702 -14.022 -8.575 1.00 2.04 H new ATOM 0 HA SER A 38 2.724 -13.250 -5.851 1.00 12.23 H new ATOM 0 HB2 SER A 38 1.288 -12.059 -8.264 1.00 21.22 H new ATOM 0 HB3 SER A 38 1.515 -11.249 -6.727 1.00 21.22 H new ATOM 0 HG SER A 38 3.464 -11.965 -8.678 1.00 55.23 H new ATOM 608 N ARG A 39 -0.140 -14.301 -7.094 1.00 74.43 N ATOM 609 CA ARG A 39 -1.481 -14.746 -6.737 1.00 42.00 C ATOM 610 C ARG A 39 -1.426 -15.984 -5.847 1.00 60.34 C ATOM 611 O ARG A 39 -2.164 -16.090 -4.869 1.00 54.35 O ATOM 612 CB ARG A 39 -2.294 -15.047 -7.998 1.00 11.04 C ATOM 613 CG ARG A 39 -3.441 -14.077 -8.228 1.00 4.42 C ATOM 614 CD ARG A 39 -3.788 -13.965 -9.705 1.00 33.44 C ATOM 615 NE ARG A 39 -4.957 -14.767 -10.055 1.00 55.20 N ATOM 616 CZ ARG A 39 -6.195 -14.465 -9.677 1.00 50.53 C ATOM 617 NH1 ARG A 39 -6.423 -13.385 -8.942 1.00 40.52 N1+ ATOM 618 NH2 ARG A 39 -7.208 -15.245 -10.036 1.00 20.12 N ATOM 0 H ARG A 39 0.105 -14.443 -8.074 1.00 74.43 H new ATOM 0 HA ARG A 39 -1.966 -13.943 -6.182 1.00 42.00 H new ATOM 0 HB2 ARG A 39 -1.630 -15.023 -8.862 1.00 11.04 H new ATOM 0 HB3 ARG A 39 -2.693 -16.059 -7.930 1.00 11.04 H new ATOM 0 HG2 ARG A 39 -4.317 -14.409 -7.671 1.00 4.42 H new ATOM 0 HG3 ARG A 39 -3.171 -13.094 -7.841 1.00 4.42 H new ATOM 0 HD2 ARG A 39 -3.977 -12.921 -9.955 1.00 33.44 H new ATOM 0 HD3 ARG A 39 -2.935 -14.287 -10.303 1.00 33.44 H new ATOM 0 HE ARG A 39 -4.816 -15.604 -10.620 1.00 55.20 H new ATOM 0 HH11 ARG A 39 -5.647 -12.783 -8.665 1.00 40.52 H new ATOM 0 HH12 ARG A 39 -7.374 -13.156 -8.654 1.00 40.52 H new ATOM 0 HH21 ARG A 39 -7.036 -16.076 -10.602 1.00 20.12 H new ATOM 0 HH22 ARG A 39 -8.158 -15.013 -9.746 1.00 20.12 H new ATOM 632 N GLU A 40 -0.545 -16.918 -6.196 1.00 53.44 N ATOM 633 CA GLU A 40 -0.396 -18.150 -5.429 1.00 23.24 C ATOM 634 C GLU A 40 0.255 -17.873 -4.077 1.00 73.22 C ATOM 635 O GLU A 40 0.055 -18.616 -3.116 1.00 75.31 O ATOM 636 CB GLU A 40 0.440 -19.164 -6.212 1.00 61.24 C ATOM 637 CG GLU A 40 0.008 -20.605 -5.995 1.00 33.23 C ATOM 638 CD GLU A 40 -1.317 -20.923 -6.661 1.00 65.53 C ATOM 639 OE1 GLU A 40 -1.557 -20.412 -7.775 1.00 61.21 O ATOM 640 OE2 GLU A 40 -2.112 -21.682 -6.070 1.00 71.33 O1- ATOM 0 H GLU A 40 0.075 -16.845 -7.003 1.00 53.44 H new ATOM 0 HA GLU A 40 -1.389 -18.564 -5.256 1.00 23.24 H new ATOM 0 HB2 GLU A 40 0.377 -18.931 -7.275 1.00 61.24 H new ATOM 0 HB3 GLU A 40 1.486 -19.060 -5.924 1.00 61.24 H new ATOM 0 HG2 GLU A 40 0.776 -21.273 -6.385 1.00 33.23 H new ATOM 0 HG3 GLU A 40 -0.071 -20.800 -4.925 1.00 33.23 H new ATOM 647 N LEU A 41 1.036 -16.799 -4.011 1.00 52.35 N ATOM 648 CA LEU A 41 1.717 -16.424 -2.777 1.00 43.44 C ATOM 649 C LEU A 41 0.718 -15.958 -1.723 1.00 1.53 C ATOM 650 O LEU A 41 0.684 -16.483 -0.612 1.00 73.21 O ATOM 651 CB LEU A 41 2.739 -15.319 -3.052 1.00 0.42 C ATOM 652 CG LEU A 41 4.178 -15.779 -3.285 1.00 20.20 C ATOM 653 CD1 LEU A 41 5.074 -14.590 -3.596 1.00 34.32 C ATOM 654 CD2 LEU A 41 4.698 -16.538 -2.073 1.00 35.53 C ATOM 0 H LEU A 41 1.213 -16.174 -4.797 1.00 52.35 H new ATOM 0 HA LEU A 41 2.235 -17.304 -2.395 1.00 43.44 H new ATOM 0 HB2 LEU A 41 2.412 -14.759 -3.928 1.00 0.42 H new ATOM 0 HB3 LEU A 41 2.732 -14.627 -2.210 1.00 0.42 H new ATOM 0 HG LEU A 41 4.190 -16.452 -4.143 1.00 20.20 H new ATOM 0 HD11 LEU A 41 6.095 -14.936 -3.759 1.00 34.32 H new ATOM 0 HD12 LEU A 41 4.714 -14.088 -4.494 1.00 34.32 H new ATOM 0 HD13 LEU A 41 5.057 -13.893 -2.758 1.00 34.32 H new ATOM 0 HD21 LEU A 41 5.724 -16.858 -2.257 1.00 35.53 H new ATOM 0 HD22 LEU A 41 4.672 -15.888 -1.198 1.00 35.53 H new ATOM 0 HD23 LEU A 41 4.072 -17.412 -1.895 1.00 35.53 H new ATOM 666 N GLU A 42 -0.096 -14.969 -2.083 1.00 34.41 N ATOM 667 CA GLU A 42 -1.096 -14.433 -1.168 1.00 54.15 C ATOM 668 C GLU A 42 -1.997 -15.545 -0.636 1.00 5.11 C ATOM 669 O GLU A 42 -2.548 -15.441 0.460 1.00 70.30 O ATOM 670 CB GLU A 42 -1.942 -13.368 -1.868 1.00 42.23 C ATOM 671 CG GLU A 42 -3.144 -12.914 -1.057 1.00 53.11 C ATOM 672 CD GLU A 42 -3.578 -11.502 -1.397 1.00 62.13 C ATOM 673 OE1 GLU A 42 -4.078 -11.289 -2.522 1.00 63.23 O1- ATOM 674 OE2 GLU A 42 -3.419 -10.609 -0.539 1.00 64.33 O ATOM 0 H GLU A 42 -0.082 -14.524 -3.001 1.00 34.41 H new ATOM 0 HA GLU A 42 -0.574 -13.977 -0.327 1.00 54.15 H new ATOM 0 HB2 GLU A 42 -1.315 -12.504 -2.087 1.00 42.23 H new ATOM 0 HB3 GLU A 42 -2.287 -13.761 -2.824 1.00 42.23 H new ATOM 0 HG2 GLU A 42 -3.975 -13.597 -1.232 1.00 53.11 H new ATOM 0 HG3 GLU A 42 -2.903 -12.970 0.005 1.00 53.11 H new ATOM 681 N ARG A 43 -2.144 -16.607 -1.421 1.00 62.35 N ATOM 682 CA ARG A 43 -2.978 -17.737 -1.032 1.00 51.00 C ATOM 683 C ARG A 43 -2.369 -18.480 0.154 1.00 22.04 C ATOM 684 O ARG A 43 -3.083 -19.077 0.960 1.00 2.34 O ATOM 685 CB ARG A 43 -3.158 -18.696 -2.210 1.00 2.41 C ATOM 686 CG ARG A 43 -4.577 -19.222 -2.354 1.00 62.02 C ATOM 687 CD ARG A 43 -4.788 -19.892 -3.704 1.00 35.20 C ATOM 688 NE ARG A 43 -4.221 -21.238 -3.741 1.00 54.40 N ATOM 689 CZ ARG A 43 -4.774 -22.285 -3.136 1.00 24.44 C ATOM 690 NH1 ARG A 43 -5.901 -22.141 -2.453 1.00 61.23 N1+ ATOM 691 NH2 ARG A 43 -4.198 -23.478 -3.217 1.00 14.11 N ATOM 0 H ARG A 43 -1.696 -16.708 -2.332 1.00 62.35 H new ATOM 0 HA ARG A 43 -3.953 -17.351 -0.735 1.00 51.00 H new ATOM 0 HB2 ARG A 43 -2.873 -18.186 -3.130 1.00 2.41 H new ATOM 0 HB3 ARG A 43 -2.477 -19.539 -2.089 1.00 2.41 H new ATOM 0 HG2 ARG A 43 -4.785 -19.935 -1.556 1.00 62.02 H new ATOM 0 HG3 ARG A 43 -5.284 -18.401 -2.240 1.00 62.02 H new ATOM 0 HD2 ARG A 43 -5.855 -19.942 -3.921 1.00 35.20 H new ATOM 0 HD3 ARG A 43 -4.332 -19.285 -4.486 1.00 35.20 H new ATOM 0 HE ARG A 43 -3.354 -21.382 -4.259 1.00 54.40 H new ATOM 0 HH11 ARG A 43 -6.346 -21.225 -2.391 1.00 61.23 H new ATOM 0 HH12 ARG A 43 -6.323 -22.946 -1.990 1.00 61.23 H new ATOM 0 HH21 ARG A 43 -3.332 -23.591 -3.743 1.00 14.11 H new ATOM 0 HH22 ARG A 43 -4.622 -24.281 -2.753 1.00 14.11 H new ATOM 705 N PHE A 44 -1.044 -18.440 0.254 1.00 4.25 N ATOM 706 CA PHE A 44 -0.338 -19.109 1.339 1.00 63.34 C ATOM 707 C PHE A 44 -0.040 -18.136 2.476 1.00 61.54 C ATOM 708 O PHE A 44 0.931 -18.306 3.214 1.00 42.23 O ATOM 709 CB PHE A 44 0.964 -19.726 0.825 1.00 25.52 C ATOM 710 CG PHE A 44 0.754 -20.814 -0.190 1.00 12.31 C ATOM 711 CD1 PHE A 44 -0.169 -21.822 0.039 1.00 45.34 C ATOM 712 CD2 PHE A 44 1.477 -20.827 -1.371 1.00 44.24 C ATOM 713 CE1 PHE A 44 -0.365 -22.824 -0.893 1.00 73.51 C ATOM 714 CE2 PHE A 44 1.286 -21.827 -2.306 1.00 51.23 C ATOM 715 CZ PHE A 44 0.363 -22.826 -2.067 1.00 23.20 C ATOM 0 H PHE A 44 -0.438 -17.951 -0.404 1.00 4.25 H new ATOM 0 HA PHE A 44 -0.980 -19.902 1.723 1.00 63.34 H new ATOM 0 HB2 PHE A 44 1.578 -18.942 0.383 1.00 25.52 H new ATOM 0 HB3 PHE A 44 1.523 -20.131 1.669 1.00 25.52 H new ATOM 0 HD1 PHE A 44 -0.741 -21.825 0.955 1.00 45.34 H new ATOM 0 HD2 PHE A 44 2.198 -20.047 -1.564 1.00 44.24 H new ATOM 0 HE1 PHE A 44 -1.087 -23.605 -0.703 1.00 73.51 H new ATOM 0 HE2 PHE A 44 1.858 -21.827 -3.222 1.00 51.23 H new ATOM 0 HZ PHE A 44 0.211 -23.607 -2.797 1.00 23.20 H new ATOM 725 N ALA A 45 -0.880 -17.116 2.610 1.00 44.43 N ATOM 726 CA ALA A 45 -0.708 -16.117 3.657 1.00 44.40 C ATOM 727 C ALA A 45 0.590 -15.339 3.465 1.00 13.32 C ATOM 728 O ALA A 45 1.120 -14.754 4.409 1.00 14.25 O ATOM 729 CB ALA A 45 -0.732 -16.778 5.026 1.00 32.31 C ATOM 0 H ALA A 45 -1.687 -16.959 2.006 1.00 44.43 H new ATOM 0 HA ALA A 45 -1.537 -15.412 3.592 1.00 44.40 H new ATOM 0 HB1 ALA A 45 -0.602 -16.020 5.798 1.00 32.31 H new ATOM 0 HB2 ALA A 45 -1.687 -17.283 5.170 1.00 32.31 H new ATOM 0 HB3 ALA A 45 0.077 -17.506 5.093 1.00 32.31 H new ATOM 735 N VAL A 46 1.097 -15.337 2.236 1.00 33.22 N ATOM 736 CA VAL A 46 2.333 -14.631 1.920 1.00 34.44 C ATOM 737 C VAL A 46 2.091 -13.531 0.894 1.00 43.43 C ATOM 738 O VAL A 46 1.736 -13.804 -0.252 1.00 74.44 O ATOM 739 CB VAL A 46 3.408 -15.594 1.382 1.00 3.11 C ATOM 740 CG1 VAL A 46 4.675 -14.832 1.022 1.00 43.14 C ATOM 741 CG2 VAL A 46 3.703 -16.685 2.399 1.00 51.03 C ATOM 0 H VAL A 46 0.671 -15.816 1.443 1.00 33.22 H new ATOM 0 HA VAL A 46 2.689 -14.185 2.849 1.00 34.44 H new ATOM 0 HB VAL A 46 3.027 -16.067 0.477 1.00 3.11 H new ATOM 0 HG11 VAL A 46 5.423 -15.528 0.644 1.00 43.14 H new ATOM 0 HG12 VAL A 46 4.449 -14.091 0.255 1.00 43.14 H new ATOM 0 HG13 VAL A 46 5.062 -14.330 1.909 1.00 43.14 H new ATOM 0 HG21 VAL A 46 4.465 -17.356 2.002 1.00 51.03 H new ATOM 0 HG22 VAL A 46 4.063 -16.233 3.323 1.00 51.03 H new ATOM 0 HG23 VAL A 46 2.793 -17.249 2.602 1.00 51.03 H new ATOM 751 N ASN A 47 2.285 -12.285 1.312 1.00 24.40 N ATOM 752 CA ASN A 47 2.088 -11.142 0.428 1.00 52.22 C ATOM 753 C ASN A 47 3.047 -11.198 -0.758 1.00 74.14 C ATOM 754 O ASN A 47 4.192 -11.636 -0.641 1.00 31.32 O ATOM 755 CB ASN A 47 2.287 -9.834 1.198 1.00 71.25 C ATOM 756 CG ASN A 47 0.973 -9.188 1.591 1.00 52.35 C ATOM 757 OD1 ASN A 47 0.109 -9.829 2.191 1.00 23.02 O ATOM 758 ND2 ASN A 47 0.816 -7.914 1.253 1.00 74.23 N ATOM 0 H ASN A 47 2.579 -12.041 2.258 1.00 24.40 H new ATOM 0 HA ASN A 47 1.067 -11.181 0.048 1.00 52.22 H new ATOM 0 HB2 ASN A 47 2.875 -10.030 2.095 1.00 71.25 H new ATOM 0 HB3 ASN A 47 2.861 -9.139 0.586 1.00 71.25 H new ATOM 0 HD21 ASN A 47 -0.048 -7.426 1.490 1.00 74.23 H new ATOM 0 HD22 ASN A 47 1.559 -7.423 0.756 1.00 74.23 H new ATOM 765 N PRO A 48 2.571 -10.744 -1.926 1.00 60.04 N ATOM 766 CA PRO A 48 3.369 -10.733 -3.156 1.00 34.53 C ATOM 767 C PRO A 48 4.496 -9.705 -3.104 1.00 40.45 C ATOM 768 O PRO A 48 5.406 -9.728 -3.931 1.00 24.45 O ATOM 769 CB PRO A 48 2.352 -10.356 -4.236 1.00 74.01 C ATOM 770 CG PRO A 48 1.292 -9.601 -3.511 1.00 54.11 C ATOM 771 CD PRO A 48 1.215 -10.209 -2.138 1.00 21.23 C ATOM 0 HA PRO A 48 3.862 -11.689 -3.331 1.00 34.53 H new ATOM 0 HB2 PRO A 48 2.810 -9.746 -5.015 1.00 74.01 H new ATOM 0 HB3 PRO A 48 1.944 -11.242 -4.723 1.00 74.01 H new ATOM 0 HG2 PRO A 48 1.538 -8.541 -3.455 1.00 54.11 H new ATOM 0 HG3 PRO A 48 0.335 -9.680 -4.027 1.00 54.11 H new ATOM 0 HD2 PRO A 48 0.953 -9.467 -1.384 1.00 21.23 H new ATOM 0 HD3 PRO A 48 0.461 -10.994 -2.088 1.00 21.23 H new ATOM 779 N GLY A 49 4.427 -8.807 -2.126 1.00 21.22 N ATOM 780 CA GLY A 49 5.448 -7.785 -1.986 1.00 74.22 C ATOM 781 C GLY A 49 6.802 -8.363 -1.623 1.00 55.44 C ATOM 782 O GLY A 49 7.827 -7.692 -1.750 1.00 40.41 O ATOM 0 H GLY A 49 3.683 -8.769 -1.429 1.00 21.22 H new ATOM 0 HA2 GLY A 49 5.532 -7.230 -2.920 1.00 74.22 H new ATOM 0 HA3 GLY A 49 5.143 -7.074 -1.219 1.00 74.22 H new ATOM 786 N LEU A 50 6.807 -9.612 -1.169 1.00 71.14 N ATOM 787 CA LEU A 50 8.046 -10.281 -0.784 1.00 12.53 C ATOM 788 C LEU A 50 8.862 -10.664 -2.014 1.00 24.51 C ATOM 789 O LEU A 50 10.083 -10.811 -1.942 1.00 15.21 O ATOM 790 CB LEU A 50 7.738 -11.528 0.046 1.00 52.33 C ATOM 791 CG LEU A 50 6.961 -11.296 1.343 1.00 20.31 C ATOM 792 CD1 LEU A 50 6.727 -12.613 2.068 1.00 62.31 C ATOM 793 CD2 LEU A 50 7.702 -10.315 2.240 1.00 60.20 C ATOM 0 H LEU A 50 5.968 -10.182 -1.058 1.00 71.14 H new ATOM 0 HA LEU A 50 8.633 -9.587 -0.182 1.00 12.53 H new ATOM 0 HB2 LEU A 50 7.171 -12.222 -0.574 1.00 52.33 H new ATOM 0 HB3 LEU A 50 8.680 -12.018 0.293 1.00 52.33 H new ATOM 0 HG LEU A 50 5.991 -10.866 1.092 1.00 20.31 H new ATOM 0 HD11 LEU A 50 6.173 -12.428 2.988 1.00 62.31 H new ATOM 0 HD12 LEU A 50 6.154 -13.284 1.428 1.00 62.31 H new ATOM 0 HD13 LEU A 50 7.686 -13.072 2.308 1.00 62.31 H new ATOM 0 HD21 LEU A 50 7.135 -10.162 3.158 1.00 60.20 H new ATOM 0 HD22 LEU A 50 8.686 -10.716 2.484 1.00 60.20 H new ATOM 0 HD23 LEU A 50 7.817 -9.363 1.721 1.00 60.20 H new ATOM 805 N LEU A 51 8.181 -10.821 -3.144 1.00 63.35 N ATOM 806 CA LEU A 51 8.844 -11.185 -4.393 1.00 55.42 C ATOM 807 C LEU A 51 9.857 -10.121 -4.801 1.00 42.14 C ATOM 808 O LEU A 51 10.818 -10.408 -5.513 1.00 23.43 O ATOM 809 CB LEU A 51 7.810 -11.376 -5.504 1.00 4.11 C ATOM 810 CG LEU A 51 7.011 -12.678 -5.462 1.00 32.11 C ATOM 811 CD1 LEU A 51 5.578 -12.440 -5.912 1.00 42.22 C ATOM 812 CD2 LEU A 51 7.674 -13.739 -6.328 1.00 31.33 C ATOM 0 H LEU A 51 7.171 -10.702 -3.222 1.00 63.35 H new ATOM 0 HA LEU A 51 9.375 -12.123 -4.235 1.00 55.42 H new ATOM 0 HB2 LEU A 51 7.109 -10.542 -5.467 1.00 4.11 H new ATOM 0 HB3 LEU A 51 8.323 -11.319 -6.464 1.00 4.11 H new ATOM 0 HG LEU A 51 6.992 -13.037 -4.433 1.00 32.11 H new ATOM 0 HD11 LEU A 51 5.025 -13.378 -5.875 1.00 42.22 H new ATOM 0 HD12 LEU A 51 5.105 -11.714 -5.251 1.00 42.22 H new ATOM 0 HD13 LEU A 51 5.576 -12.057 -6.933 1.00 42.22 H new ATOM 0 HD21 LEU A 51 7.091 -14.659 -6.286 1.00 31.33 H new ATOM 0 HD22 LEU A 51 7.724 -13.388 -7.359 1.00 31.33 H new ATOM 0 HD23 LEU A 51 8.682 -13.931 -5.960 1.00 31.33 H new ATOM 824 N GLU A 52 9.635 -8.893 -4.342 1.00 25.10 N ATOM 825 CA GLU A 52 10.532 -7.787 -4.660 1.00 50.43 C ATOM 826 C GLU A 52 11.472 -7.497 -3.494 1.00 13.23 C ATOM 827 O GLU A 52 11.960 -6.377 -3.338 1.00 21.34 O ATOM 828 CB GLU A 52 9.726 -6.532 -5.003 1.00 5.42 C ATOM 829 CG GLU A 52 8.903 -6.001 -3.843 1.00 14.54 C ATOM 830 CD GLU A 52 8.518 -4.544 -4.019 1.00 62.03 C ATOM 831 OE1 GLU A 52 7.595 -4.265 -4.812 1.00 43.51 O1- ATOM 832 OE2 GLU A 52 9.141 -3.683 -3.363 1.00 35.43 O ATOM 0 H GLU A 52 8.844 -8.639 -3.750 1.00 25.10 H new ATOM 0 HA GLU A 52 11.131 -8.074 -5.524 1.00 50.43 H new ATOM 0 HB2 GLU A 52 10.409 -5.752 -5.339 1.00 5.42 H new ATOM 0 HB3 GLU A 52 9.061 -6.755 -5.837 1.00 5.42 H new ATOM 0 HG2 GLU A 52 7.999 -6.602 -3.739 1.00 14.54 H new ATOM 0 HG3 GLU A 52 9.470 -6.114 -2.919 1.00 14.54 H new ATOM 839 N THR A 53 11.723 -8.515 -2.676 1.00 14.31 N ATOM 840 CA THR A 53 12.603 -8.371 -1.524 1.00 13.02 C ATOM 841 C THR A 53 13.580 -9.537 -1.429 1.00 12.01 C ATOM 842 O THR A 53 13.172 -10.697 -1.363 1.00 21.53 O ATOM 843 CB THR A 53 11.801 -8.279 -0.212 1.00 75.33 C ATOM 844 OG1 THR A 53 11.266 -9.564 0.126 1.00 2.04 O ATOM 845 CG2 THR A 53 10.669 -7.271 -0.339 1.00 22.20 C ATOM 0 H THR A 53 11.328 -9.449 -2.791 1.00 14.31 H new ATOM 0 HA THR A 53 13.160 -7.445 -1.666 1.00 13.02 H new ATOM 0 HB THR A 53 12.475 -7.947 0.577 1.00 75.33 H new ATOM 0 HG1 THR A 53 10.878 -9.977 -0.673 1.00 2.04 H new ATOM 0 HG21 THR A 53 10.117 -7.224 0.600 1.00 22.20 H new ATOM 0 HG22 THR A 53 11.081 -6.288 -0.568 1.00 22.20 H new ATOM 0 HG23 THR A 53 9.997 -7.578 -1.140 1.00 22.20 H new ATOM 853 N SER A 54 14.871 -9.222 -1.421 1.00 23.03 N ATOM 854 CA SER A 54 15.907 -10.245 -1.337 1.00 61.31 C ATOM 855 C SER A 54 15.737 -11.088 -0.077 1.00 20.30 C ATOM 856 O SER A 54 16.207 -12.223 -0.009 1.00 32.21 O ATOM 857 CB SER A 54 17.294 -9.599 -1.348 1.00 4.32 C ATOM 858 OG SER A 54 17.238 -8.279 -1.862 1.00 51.24 O ATOM 0 H SER A 54 15.225 -8.267 -1.472 1.00 23.03 H new ATOM 0 HA SER A 54 15.810 -10.897 -2.205 1.00 61.31 H new ATOM 0 HB2 SER A 54 17.699 -9.582 -0.336 1.00 4.32 H new ATOM 0 HB3 SER A 54 17.974 -10.200 -1.953 1.00 4.32 H new ATOM 0 HG SER A 54 18.136 -7.888 -1.857 1.00 51.24 H new ATOM 864 N GLU A 55 15.061 -10.523 0.920 1.00 4.01 N ATOM 865 CA GLU A 55 14.829 -11.222 2.178 1.00 31.52 C ATOM 866 C GLU A 55 13.596 -12.115 2.085 1.00 43.31 C ATOM 867 O GLU A 55 13.618 -13.269 2.511 1.00 23.12 O ATOM 868 CB GLU A 55 14.661 -10.219 3.321 1.00 22.23 C ATOM 869 CG GLU A 55 15.948 -9.938 4.078 1.00 14.43 C ATOM 870 CD GLU A 55 16.997 -9.264 3.217 1.00 24.33 C ATOM 871 OE1 GLU A 55 16.945 -8.023 3.080 1.00 74.02 O ATOM 872 OE2 GLU A 55 17.870 -9.975 2.678 1.00 71.12 O1- ATOM 0 H GLU A 55 14.665 -9.584 0.880 1.00 4.01 H new ATOM 0 HA GLU A 55 15.697 -11.850 2.380 1.00 31.52 H new ATOM 0 HB2 GLU A 55 14.275 -9.283 2.918 1.00 22.23 H new ATOM 0 HB3 GLU A 55 13.914 -10.598 4.019 1.00 22.23 H new ATOM 0 HG2 GLU A 55 15.728 -9.305 4.938 1.00 14.43 H new ATOM 0 HG3 GLU A 55 16.349 -10.875 4.466 1.00 14.43 H new ATOM 879 N GLY A 56 12.519 -11.571 1.525 1.00 70.22 N ATOM 880 CA GLY A 56 11.291 -12.332 1.386 1.00 23.23 C ATOM 881 C GLY A 56 11.430 -13.486 0.413 1.00 71.44 C ATOM 882 O GLY A 56 11.013 -14.607 0.707 1.00 63.11 O ATOM 0 H GLY A 56 12.475 -10.617 1.165 1.00 70.22 H new ATOM 0 HA2 GLY A 56 10.994 -12.717 2.361 1.00 23.23 H new ATOM 0 HA3 GLY A 56 10.494 -11.670 1.048 1.00 23.23 H new ATOM 886 N CYS A 57 12.016 -13.212 -0.747 1.00 72.21 N ATOM 887 CA CYS A 57 12.207 -14.237 -1.767 1.00 21.04 C ATOM 888 C CYS A 57 12.901 -15.464 -1.183 1.00 1.22 C ATOM 889 O CYS A 57 12.689 -16.586 -1.642 1.00 62.20 O ATOM 890 CB CYS A 57 13.026 -13.679 -2.932 1.00 21.31 C ATOM 891 SG CYS A 57 12.074 -13.424 -4.448 1.00 10.33 S ATOM 0 H CYS A 57 12.367 -12.290 -1.005 1.00 72.21 H new ATOM 0 HA CYS A 57 11.225 -14.538 -2.133 1.00 21.04 H new ATOM 0 HB2 CYS A 57 13.468 -12.730 -2.629 1.00 21.31 H new ATOM 0 HB3 CYS A 57 13.849 -14.361 -3.143 1.00 21.31 H new ATOM 0 HG CYS A 57 11.750 -12.169 -4.551 1.00 10.33 H new ATOM 897 N ARG A 58 13.732 -15.241 -0.170 1.00 4.32 N ATOM 898 CA ARG A 58 14.459 -16.327 0.474 1.00 60.43 C ATOM 899 C ARG A 58 13.550 -17.101 1.426 1.00 24.33 C ATOM 900 O ARG A 58 13.511 -18.331 1.398 1.00 2.13 O ATOM 901 CB ARG A 58 15.665 -15.780 1.238 1.00 20.44 C ATOM 902 CG ARG A 58 16.759 -16.809 1.470 1.00 24.30 C ATOM 903 CD ARG A 58 17.486 -16.565 2.783 1.00 12.40 C ATOM 904 NE ARG A 58 18.886 -16.976 2.718 1.00 52.22 N ATOM 905 CZ ARG A 58 19.289 -18.235 2.853 1.00 10.13 C ATOM 906 NH1 ARG A 58 18.404 -19.200 3.059 1.00 1.44 N1+ ATOM 907 NH2 ARG A 58 20.581 -18.530 2.783 1.00 44.10 N ATOM 0 H ARG A 58 13.918 -14.318 0.222 1.00 4.32 H new ATOM 0 HA ARG A 58 14.807 -17.007 -0.303 1.00 60.43 H new ATOM 0 HB2 ARG A 58 16.082 -14.938 0.686 1.00 20.44 H new ATOM 0 HB3 ARG A 58 15.330 -15.396 2.201 1.00 20.44 H new ATOM 0 HG2 ARG A 58 16.324 -17.809 1.474 1.00 24.30 H new ATOM 0 HG3 ARG A 58 17.472 -16.775 0.646 1.00 24.30 H new ATOM 0 HD2 ARG A 58 17.430 -15.506 3.037 1.00 12.40 H new ATOM 0 HD3 ARG A 58 16.985 -17.111 3.582 1.00 12.40 H new ATOM 0 HE ARG A 58 19.593 -16.258 2.560 1.00 52.22 H new ATOM 0 HH11 ARG A 58 17.410 -18.977 3.114 1.00 1.44 H new ATOM 0 HH12 ARG A 58 18.717 -20.165 3.162 1.00 1.44 H new ATOM 0 HH21 ARG A 58 21.265 -17.790 2.626 1.00 44.10 H new ATOM 0 HH22 ARG A 58 20.890 -19.497 2.887 1.00 44.10 H new ATOM 921 N GLN A 59 12.824 -16.371 2.265 1.00 54.33 N ATOM 922 CA GLN A 59 11.916 -16.990 3.226 1.00 2.15 C ATOM 923 C GLN A 59 10.923 -17.908 2.522 1.00 71.05 C ATOM 924 O GLN A 59 10.659 -19.020 2.981 1.00 73.44 O ATOM 925 CB GLN A 59 11.166 -15.916 4.014 1.00 13.22 C ATOM 926 CG GLN A 59 11.103 -16.190 5.509 1.00 64.12 C ATOM 927 CD GLN A 59 10.659 -14.979 6.306 1.00 62.41 C ATOM 928 OE1 GLN A 59 10.859 -13.839 5.888 1.00 3.22 O ATOM 929 NE2 GLN A 59 10.052 -15.222 7.462 1.00 62.53 N ATOM 0 H GLN A 59 12.846 -15.352 2.300 1.00 54.33 H new ATOM 0 HA GLN A 59 12.510 -17.589 3.916 1.00 2.15 H new ATOM 0 HB2 GLN A 59 11.649 -14.953 3.850 1.00 13.22 H new ATOM 0 HB3 GLN A 59 10.151 -15.834 3.625 1.00 13.22 H new ATOM 0 HG2 GLN A 59 10.415 -17.015 5.695 1.00 64.12 H new ATOM 0 HG3 GLN A 59 12.085 -16.510 5.858 1.00 64.12 H new ATOM 0 HE21 GLN A 59 9.907 -16.184 7.770 1.00 62.53 H new ATOM 0 HE22 GLN A 59 9.731 -14.447 8.042 1.00 62.53 H new ATOM 938 N ILE A 60 10.375 -17.437 1.406 1.00 75.51 N ATOM 939 CA ILE A 60 9.412 -18.218 0.641 1.00 2.15 C ATOM 940 C ILE A 60 9.981 -19.582 0.268 1.00 22.34 C ATOM 941 O ILE A 60 9.268 -20.586 0.269 1.00 53.10 O ATOM 942 CB ILE A 60 8.988 -17.482 -0.645 1.00 0.50 C ATOM 943 CG1 ILE A 60 8.383 -16.119 -0.303 1.00 71.01 C ATOM 944 CG2 ILE A 60 7.997 -18.324 -1.434 1.00 12.30 C ATOM 945 CD1 ILE A 60 8.332 -15.169 -1.479 1.00 33.23 C ATOM 0 H ILE A 60 10.582 -16.519 1.012 1.00 75.51 H new ATOM 0 HA ILE A 60 8.538 -18.355 1.278 1.00 2.15 H new ATOM 0 HB ILE A 60 9.872 -17.321 -1.262 1.00 0.50 H new ATOM 0 HG12 ILE A 60 7.373 -16.265 0.080 1.00 71.01 H new ATOM 0 HG13 ILE A 60 8.965 -15.663 0.498 1.00 71.01 H new ATOM 0 HG21 ILE A 60 7.707 -17.791 -2.339 1.00 12.30 H new ATOM 0 HG22 ILE A 60 8.460 -19.273 -1.704 1.00 12.30 H new ATOM 0 HG23 ILE A 60 7.113 -18.512 -0.825 1.00 12.30 H new ATOM 0 HD11 ILE A 60 7.892 -14.223 -1.164 1.00 33.23 H new ATOM 0 HD12 ILE A 60 9.342 -14.994 -1.849 1.00 33.23 H new ATOM 0 HD13 ILE A 60 7.725 -15.605 -2.273 1.00 33.23 H new ATOM 957 N LEU A 61 11.271 -19.612 -0.048 1.00 44.44 N ATOM 958 CA LEU A 61 11.939 -20.855 -0.422 1.00 13.31 C ATOM 959 C LEU A 61 12.160 -21.741 0.799 1.00 74.50 C ATOM 960 O LEU A 61 12.252 -22.963 0.684 1.00 32.34 O ATOM 961 CB LEU A 61 13.277 -20.554 -1.099 1.00 50.11 C ATOM 962 CG LEU A 61 13.212 -19.705 -2.368 1.00 1.22 C ATOM 963 CD1 LEU A 61 14.548 -19.027 -2.627 1.00 62.41 C ATOM 964 CD2 LEU A 61 12.805 -20.558 -3.560 1.00 42.15 C ATOM 0 H LEU A 61 11.876 -18.790 -0.053 1.00 44.44 H new ATOM 0 HA LEU A 61 11.297 -21.388 -1.123 1.00 13.31 H new ATOM 0 HB2 LEU A 61 13.919 -20.047 -0.379 1.00 50.11 H new ATOM 0 HB3 LEU A 61 13.758 -21.501 -1.344 1.00 50.11 H new ATOM 0 HG LEU A 61 12.458 -18.931 -2.225 1.00 1.22 H new ATOM 0 HD11 LEU A 61 14.482 -18.427 -3.535 1.00 62.41 H new ATOM 0 HD12 LEU A 61 14.799 -18.383 -1.784 1.00 62.41 H new ATOM 0 HD13 LEU A 61 15.323 -19.784 -2.748 1.00 62.41 H new ATOM 0 HD21 LEU A 61 12.764 -19.937 -4.455 1.00 42.15 H new ATOM 0 HD22 LEU A 61 13.536 -21.354 -3.704 1.00 42.15 H new ATOM 0 HD23 LEU A 61 11.824 -20.995 -3.376 1.00 42.15 H new ATOM 976 N GLY A 62 12.245 -21.116 1.970 1.00 52.02 N ATOM 977 CA GLY A 62 12.454 -21.864 3.197 1.00 40.22 C ATOM 978 C GLY A 62 11.256 -22.718 3.566 1.00 24.32 C ATOM 979 O GLY A 62 11.377 -23.664 4.344 1.00 20.21 O ATOM 0 H GLY A 62 12.173 -20.106 2.091 1.00 52.02 H new ATOM 0 HA2 GLY A 62 13.331 -22.502 3.085 1.00 40.22 H new ATOM 0 HA3 GLY A 62 12.666 -21.170 4.010 1.00 40.22 H new ATOM 983 N GLN A 63 10.097 -22.381 3.009 1.00 2.02 N ATOM 984 CA GLN A 63 8.873 -23.122 3.287 1.00 43.45 C ATOM 985 C GLN A 63 8.626 -24.185 2.221 1.00 71.13 C ATOM 986 O GLN A 63 8.145 -25.280 2.520 1.00 22.23 O ATOM 987 CB GLN A 63 7.679 -22.169 3.358 1.00 33.51 C ATOM 988 CG GLN A 63 7.280 -21.799 4.777 1.00 75.21 C ATOM 989 CD GLN A 63 6.078 -20.877 4.825 1.00 24.22 C ATOM 990 OE1 GLN A 63 5.049 -21.209 5.413 1.00 2.25 O ATOM 991 NE2 GLN A 63 6.203 -19.710 4.203 1.00 4.52 N ATOM 0 H GLN A 63 9.980 -21.600 2.363 1.00 2.02 H new ATOM 0 HA GLN A 63 8.991 -23.619 4.250 1.00 43.45 H new ATOM 0 HB2 GLN A 63 7.918 -21.259 2.808 1.00 33.51 H new ATOM 0 HB3 GLN A 63 6.827 -22.630 2.858 1.00 33.51 H new ATOM 0 HG2 GLN A 63 7.058 -22.708 5.336 1.00 75.21 H new ATOM 0 HG3 GLN A 63 8.122 -21.317 5.273 1.00 75.21 H new ATOM 0 HE21 GLN A 63 7.075 -19.476 3.728 1.00 4.52 H new ATOM 0 HE22 GLN A 63 5.427 -19.048 4.200 1.00 4.52 H new ATOM 1000 N LEU A 64 8.958 -23.857 0.977 1.00 71.32 N ATOM 1001 CA LEU A 64 8.772 -24.784 -0.133 1.00 64.24 C ATOM 1002 C LEU A 64 9.908 -25.803 -0.189 1.00 11.43 C ATOM 1003 O LEU A 64 9.735 -26.910 -0.696 1.00 52.23 O ATOM 1004 CB LEU A 64 8.695 -24.018 -1.456 1.00 54.22 C ATOM 1005 CG LEU A 64 7.664 -22.891 -1.517 1.00 23.35 C ATOM 1006 CD1 LEU A 64 7.645 -22.261 -2.902 1.00 34.11 C ATOM 1007 CD2 LEU A 64 6.283 -23.409 -1.146 1.00 32.43 C ATOM 0 H LEU A 64 9.357 -22.956 0.712 1.00 71.32 H new ATOM 0 HA LEU A 64 7.836 -25.319 0.026 1.00 64.24 H new ATOM 0 HB2 LEU A 64 9.678 -23.597 -1.667 1.00 54.22 H new ATOM 0 HB3 LEU A 64 8.475 -24.729 -2.253 1.00 54.22 H new ATOM 0 HG LEU A 64 7.948 -22.126 -0.795 1.00 23.35 H new ATOM 0 HD11 LEU A 64 6.905 -21.461 -2.928 1.00 34.11 H new ATOM 0 HD12 LEU A 64 8.630 -21.853 -3.129 1.00 34.11 H new ATOM 0 HD13 LEU A 64 7.386 -23.018 -3.642 1.00 34.11 H new ATOM 0 HD21 LEU A 64 5.563 -22.592 -1.195 1.00 32.43 H new ATOM 0 HD22 LEU A 64 5.990 -24.194 -1.843 1.00 32.43 H new ATOM 0 HD23 LEU A 64 6.306 -23.812 -0.134 1.00 32.43 H new ATOM 1019 N GLN A 65 11.066 -25.419 0.337 1.00 15.02 N ATOM 1020 CA GLN A 65 12.228 -26.300 0.349 1.00 12.31 C ATOM 1021 C GLN A 65 11.876 -27.658 0.946 1.00 13.34 C ATOM 1022 O GLN A 65 11.967 -28.694 0.290 1.00 63.25 O ATOM 1023 CB GLN A 65 13.370 -25.661 1.141 1.00 32.40 C ATOM 1024 CG GLN A 65 14.448 -25.043 0.265 1.00 14.20 C ATOM 1025 CD GLN A 65 15.606 -24.488 1.069 1.00 35.45 C ATOM 1026 OE1 GLN A 65 16.140 -25.156 1.955 1.00 44.45 O ATOM 1027 NE2 GLN A 65 16.003 -23.257 0.766 1.00 3.43 N ATOM 0 H GLN A 65 11.225 -24.505 0.760 1.00 15.02 H new ATOM 0 HA GLN A 65 12.550 -26.450 -0.682 1.00 12.31 H new ATOM 0 HB2 GLN A 65 12.961 -24.892 1.796 1.00 32.40 H new ATOM 0 HB3 GLN A 65 13.824 -26.417 1.782 1.00 32.40 H new ATOM 0 HG2 GLN A 65 14.821 -25.795 -0.430 1.00 14.20 H new ATOM 0 HG3 GLN A 65 14.010 -24.244 -0.334 1.00 14.20 H new ATOM 0 HE21 GLN A 65 15.533 -22.738 0.024 1.00 3.43 H new ATOM 0 HE22 GLN A 65 16.778 -22.831 1.275 1.00 3.43 H new ATOM 1036 N PRO A 66 11.463 -27.655 2.223 1.00 11.34 N ATOM 1037 CA PRO A 66 11.089 -28.878 2.937 1.00 71.24 C ATOM 1038 C PRO A 66 9.788 -29.479 2.415 1.00 73.34 C ATOM 1039 O PRO A 66 9.483 -30.643 2.674 1.00 62.30 O ATOM 1040 CB PRO A 66 10.918 -28.407 4.384 1.00 63.13 C ATOM 1041 CG PRO A 66 10.588 -26.959 4.274 1.00 42.52 C ATOM 1042 CD PRO A 66 11.330 -26.455 3.067 1.00 12.11 C ATOM 0 HA PRO A 66 11.834 -29.664 2.816 1.00 71.24 H new ATOM 0 HB2 PRO A 66 10.123 -28.957 4.888 1.00 63.13 H new ATOM 0 HB3 PRO A 66 11.829 -28.563 4.961 1.00 63.13 H new ATOM 0 HG2 PRO A 66 9.514 -26.811 4.162 1.00 42.52 H new ATOM 0 HG3 PRO A 66 10.892 -26.420 5.172 1.00 42.52 H new ATOM 0 HD2 PRO A 66 10.779 -25.664 2.558 1.00 12.11 H new ATOM 0 HD3 PRO A 66 12.303 -26.043 3.336 1.00 12.11 H new ATOM 1050 N SER A 67 9.024 -28.677 1.680 1.00 44.22 N ATOM 1051 CA SER A 67 7.754 -29.129 1.124 1.00 41.21 C ATOM 1052 C SER A 67 7.888 -29.426 -0.367 1.00 13.34 C ATOM 1053 O SER A 67 6.914 -29.344 -1.118 1.00 15.13 O ATOM 1054 CB SER A 67 6.670 -28.075 1.351 1.00 11.23 C ATOM 1055 OG SER A 67 5.434 -28.678 1.692 1.00 54.25 O ATOM 0 H SER A 67 9.262 -27.711 1.456 1.00 44.22 H new ATOM 0 HA SER A 67 7.469 -30.049 1.635 1.00 41.21 H new ATOM 0 HB2 SER A 67 6.979 -27.397 2.147 1.00 11.23 H new ATOM 0 HB3 SER A 67 6.548 -27.474 0.450 1.00 11.23 H new ATOM 0 HG SER A 67 4.759 -27.982 1.833 1.00 54.25 H new ATOM 1061 N LEU A 68 9.099 -29.769 -0.788 1.00 25.13 N ATOM 1062 CA LEU A 68 9.362 -30.078 -2.190 1.00 11.54 C ATOM 1063 C LEU A 68 8.921 -31.498 -2.526 1.00 44.25 C ATOM 1064 O LEU A 68 8.413 -31.758 -3.618 1.00 75.44 O ATOM 1065 CB LEU A 68 10.851 -29.907 -2.500 1.00 15.44 C ATOM 1066 CG LEU A 68 11.258 -28.567 -3.115 1.00 61.34 C ATOM 1067 CD1 LEU A 68 12.773 -28.464 -3.212 1.00 14.14 C ATOM 1068 CD2 LEU A 68 10.621 -28.394 -4.486 1.00 32.51 C ATOM 0 H LEU A 68 9.915 -29.841 -0.180 1.00 25.13 H new ATOM 0 HA LEU A 68 8.788 -29.384 -2.804 1.00 11.54 H new ATOM 0 HB2 LEU A 68 11.412 -30.046 -1.576 1.00 15.44 H new ATOM 0 HB3 LEU A 68 11.154 -30.703 -3.180 1.00 15.44 H new ATOM 0 HG LEU A 68 10.900 -27.767 -2.467 1.00 61.34 H new ATOM 0 HD11 LEU A 68 13.045 -27.504 -3.652 1.00 14.14 H new ATOM 0 HD12 LEU A 68 13.208 -28.543 -2.215 1.00 14.14 H new ATOM 0 HD13 LEU A 68 13.153 -29.271 -3.838 1.00 14.14 H new ATOM 0 HD21 LEU A 68 10.922 -27.435 -4.908 1.00 32.51 H new ATOM 0 HD22 LEU A 68 10.949 -29.199 -5.144 1.00 32.51 H new ATOM 0 HD23 LEU A 68 9.536 -28.424 -4.389 1.00 32.51 H new ATOM 1080 N GLN A 69 9.116 -32.412 -1.583 1.00 74.23 N ATOM 1081 CA GLN A 69 8.736 -33.807 -1.779 1.00 31.14 C ATOM 1082 C GLN A 69 7.251 -34.011 -1.500 1.00 33.14 C ATOM 1083 O GLN A 69 6.561 -34.721 -2.233 1.00 45.23 O ATOM 1084 CB GLN A 69 9.567 -34.717 -0.873 1.00 23.51 C ATOM 1085 CG GLN A 69 9.275 -36.197 -1.064 1.00 24.13 C ATOM 1086 CD GLN A 69 10.535 -37.022 -1.236 1.00 50.13 C ATOM 1087 OE1 GLN A 69 10.808 -37.931 -0.451 1.00 55.52 O ATOM 1088 NE2 GLN A 69 11.311 -36.710 -2.268 1.00 75.31 N ATOM 0 H GLN A 69 9.535 -32.213 -0.675 1.00 74.23 H new ATOM 0 HA GLN A 69 8.931 -34.067 -2.819 1.00 31.14 H new ATOM 0 HB2 GLN A 69 10.625 -34.537 -1.063 1.00 23.51 H new ATOM 0 HB3 GLN A 69 9.380 -34.449 0.167 1.00 23.51 H new ATOM 0 HG2 GLN A 69 8.717 -36.567 -0.204 1.00 24.13 H new ATOM 0 HG3 GLN A 69 8.637 -36.328 -1.938 1.00 24.13 H new ATOM 0 HE21 GLN A 69 11.046 -35.949 -2.893 1.00 75.31 H new ATOM 0 HE22 GLN A 69 12.172 -37.231 -2.435 1.00 75.31 H new ATOM 1097 N THR A 70 6.763 -33.385 -0.434 1.00 15.33 N ATOM 1098 CA THR A 70 5.360 -33.499 -0.055 1.00 5.51 C ATOM 1099 C THR A 70 4.560 -32.296 -0.542 1.00 3.53 C ATOM 1100 O THR A 70 3.527 -31.951 0.033 1.00 25.43 O ATOM 1101 CB THR A 70 5.197 -33.626 1.470 1.00 33.11 C ATOM 1102 OG1 THR A 70 5.986 -32.631 2.132 1.00 12.24 O ATOM 1103 CG2 THR A 70 5.614 -35.009 1.946 1.00 30.30 C ATOM 0 H THR A 70 7.319 -32.793 0.183 1.00 15.33 H new ATOM 0 HA THR A 70 4.978 -34.403 -0.529 1.00 5.51 H new ATOM 0 HB THR A 70 4.145 -33.477 1.714 1.00 33.11 H new ATOM 0 HG1 THR A 70 5.875 -32.718 3.102 1.00 12.24 H new ATOM 0 HG21 THR A 70 5.490 -35.074 3.027 1.00 30.30 H new ATOM 0 HG22 THR A 70 4.992 -35.763 1.463 1.00 30.30 H new ATOM 0 HG23 THR A 70 6.659 -35.182 1.690 1.00 30.30 H new ATOM 1111 N GLY A 71 5.042 -31.660 -1.607 1.00 75.32 N ATOM 1112 CA GLY A 71 4.358 -30.503 -2.152 1.00 61.21 C ATOM 1113 C GLY A 71 3.453 -30.859 -3.315 1.00 52.04 C ATOM 1114 O GLY A 71 3.313 -32.031 -3.664 1.00 10.33 O ATOM 0 H GLY A 71 5.894 -31.926 -2.101 1.00 75.32 H new ATOM 0 HA2 GLY A 71 3.767 -30.031 -1.367 1.00 61.21 H new ATOM 0 HA3 GLY A 71 5.095 -29.770 -2.480 1.00 61.21 H new ATOM 1118 N SER A 72 2.836 -29.846 -3.913 1.00 45.51 N ATOM 1119 CA SER A 72 1.934 -30.058 -5.039 1.00 43.20 C ATOM 1120 C SER A 72 2.506 -29.449 -6.316 1.00 52.24 C ATOM 1121 O SER A 72 3.588 -28.862 -6.305 1.00 72.45 O ATOM 1122 CB SER A 72 0.561 -29.453 -4.743 1.00 12.43 C ATOM 1123 OG SER A 72 0.685 -28.144 -4.214 1.00 13.12 O ATOM 0 H SER A 72 2.944 -28.870 -3.637 1.00 45.51 H new ATOM 0 HA SER A 72 1.825 -31.132 -5.186 1.00 43.20 H new ATOM 0 HB2 SER A 72 -0.032 -29.425 -5.657 1.00 12.43 H new ATOM 0 HB3 SER A 72 0.026 -30.086 -4.035 1.00 12.43 H new ATOM 0 HG SER A 72 -0.206 -27.778 -4.035 1.00 13.12 H new ATOM 1129 N GLU A 73 1.771 -29.592 -7.414 1.00 43.53 N ATOM 1130 CA GLU A 73 2.205 -29.057 -8.699 1.00 42.22 C ATOM 1131 C GLU A 73 2.511 -27.566 -8.592 1.00 74.21 C ATOM 1132 O GLU A 73 3.557 -27.103 -9.044 1.00 20.10 O ATOM 1133 CB GLU A 73 1.132 -29.294 -9.764 1.00 64.13 C ATOM 1134 CG GLU A 73 1.056 -30.734 -10.243 1.00 34.44 C ATOM 1135 CD GLU A 73 1.861 -30.973 -11.505 1.00 12.34 C ATOM 1136 OE1 GLU A 73 1.692 -30.198 -12.470 1.00 43.13 O ATOM 1137 OE2 GLU A 73 2.659 -31.934 -11.528 1.00 2.55 O1- ATOM 0 H GLU A 73 0.872 -30.074 -7.439 1.00 43.53 H new ATOM 0 HA GLU A 73 3.117 -29.577 -8.991 1.00 42.22 H new ATOM 0 HB2 GLU A 73 0.162 -29.002 -9.361 1.00 64.13 H new ATOM 0 HB3 GLU A 73 1.330 -28.646 -10.618 1.00 64.13 H new ATOM 0 HG2 GLU A 73 1.418 -31.394 -9.455 1.00 34.44 H new ATOM 0 HG3 GLU A 73 0.014 -30.997 -10.426 1.00 34.44 H new ATOM 1144 N GLU A 74 1.590 -26.820 -7.990 1.00 40.55 N ATOM 1145 CA GLU A 74 1.759 -25.382 -7.825 1.00 33.50 C ATOM 1146 C GLU A 74 3.032 -25.072 -7.041 1.00 11.32 C ATOM 1147 O GLU A 74 3.803 -24.186 -7.413 1.00 40.45 O ATOM 1148 CB GLU A 74 0.548 -24.781 -7.110 1.00 35.12 C ATOM 1149 CG GLU A 74 -0.601 -24.437 -8.043 1.00 62.32 C ATOM 1150 CD GLU A 74 -1.119 -25.644 -8.801 1.00 61.41 C ATOM 1151 OE1 GLU A 74 -1.193 -26.736 -8.199 1.00 54.43 O1- ATOM 1152 OE2 GLU A 74 -1.449 -25.497 -9.996 1.00 43.13 O ATOM 0 H GLU A 74 0.719 -27.189 -7.608 1.00 40.55 H new ATOM 0 HA GLU A 74 1.844 -24.936 -8.816 1.00 33.50 H new ATOM 0 HB2 GLU A 74 0.195 -25.485 -6.357 1.00 35.12 H new ATOM 0 HB3 GLU A 74 0.859 -23.879 -6.582 1.00 35.12 H new ATOM 0 HG2 GLU A 74 -1.415 -23.999 -7.465 1.00 62.32 H new ATOM 0 HG3 GLU A 74 -0.272 -23.680 -8.755 1.00 62.32 H new ATOM 1159 N LEU A 75 3.243 -25.805 -5.954 1.00 71.34 N ATOM 1160 CA LEU A 75 4.422 -25.608 -5.116 1.00 51.42 C ATOM 1161 C LEU A 75 5.701 -25.752 -5.933 1.00 4.11 C ATOM 1162 O LEU A 75 6.597 -24.911 -5.855 1.00 22.33 O ATOM 1163 CB LEU A 75 4.425 -26.614 -3.963 1.00 25.23 C ATOM 1164 CG LEU A 75 5.416 -26.335 -2.832 1.00 50.14 C ATOM 1165 CD1 LEU A 75 4.791 -26.653 -1.484 1.00 74.15 C ATOM 1166 CD2 LEU A 75 6.694 -27.138 -3.033 1.00 42.41 C ATOM 0 H LEU A 75 2.614 -26.541 -5.632 1.00 71.34 H new ATOM 0 HA LEU A 75 4.384 -24.597 -4.710 1.00 51.42 H new ATOM 0 HB2 LEU A 75 3.422 -26.653 -3.539 1.00 25.23 H new ATOM 0 HB3 LEU A 75 4.638 -27.602 -4.370 1.00 25.23 H new ATOM 0 HG LEU A 75 5.670 -25.275 -2.850 1.00 50.14 H new ATOM 0 HD11 LEU A 75 5.511 -26.448 -0.692 1.00 74.15 H new ATOM 0 HD12 LEU A 75 3.906 -26.034 -1.338 1.00 74.15 H new ATOM 0 HD13 LEU A 75 4.507 -27.705 -1.454 1.00 74.15 H new ATOM 0 HD21 LEU A 75 7.388 -26.927 -2.219 1.00 42.41 H new ATOM 0 HD22 LEU A 75 6.458 -28.202 -3.042 1.00 42.41 H new ATOM 0 HD23 LEU A 75 7.153 -26.860 -3.982 1.00 42.41 H new ATOM 1178 N ARG A 76 5.779 -26.820 -6.720 1.00 32.44 N ATOM 1179 CA ARG A 76 6.948 -27.072 -7.553 1.00 64.01 C ATOM 1180 C ARG A 76 7.235 -25.881 -8.463 1.00 12.21 C ATOM 1181 O ARG A 76 8.346 -25.352 -8.478 1.00 61.20 O ATOM 1182 CB ARG A 76 6.738 -28.332 -8.396 1.00 70.41 C ATOM 1183 CG ARG A 76 7.940 -29.263 -8.409 1.00 12.24 C ATOM 1184 CD ARG A 76 8.285 -29.709 -9.821 1.00 13.54 C ATOM 1185 NE ARG A 76 9.681 -30.118 -9.941 1.00 33.20 N ATOM 1186 CZ ARG A 76 10.143 -30.872 -10.931 1.00 65.11 C ATOM 1187 NH1 ARG A 76 9.325 -31.298 -11.883 1.00 13.43 N1+ ATOM 1188 NH2 ARG A 76 11.428 -31.203 -10.971 1.00 63.13 N ATOM 0 H ARG A 76 5.046 -27.525 -6.798 1.00 32.44 H new ATOM 0 HA ARG A 76 7.805 -27.220 -6.896 1.00 64.01 H new ATOM 0 HB2 ARG A 76 5.873 -28.874 -8.014 1.00 70.41 H new ATOM 0 HB3 ARG A 76 6.504 -28.039 -9.420 1.00 70.41 H new ATOM 0 HG2 ARG A 76 8.798 -28.757 -7.966 1.00 12.24 H new ATOM 0 HG3 ARG A 76 7.732 -30.137 -7.791 1.00 12.24 H new ATOM 0 HD2 ARG A 76 7.639 -30.539 -10.107 1.00 13.54 H new ATOM 0 HD3 ARG A 76 8.085 -28.895 -10.517 1.00 13.54 H new ATOM 0 HE ARG A 76 10.338 -29.807 -9.225 1.00 33.20 H new ATOM 0 HH11 ARG A 76 8.337 -31.047 -11.856 1.00 13.43 H new ATOM 0 HH12 ARG A 76 9.684 -31.877 -12.642 1.00 13.43 H new ATOM 0 HH21 ARG A 76 12.061 -30.878 -10.241 1.00 63.13 H new ATOM 0 HH22 ARG A 76 11.782 -31.782 -11.732 1.00 63.13 H new ATOM 1202 N SER A 77 6.225 -25.465 -9.220 1.00 25.13 N ATOM 1203 CA SER A 77 6.370 -24.339 -10.136 1.00 13.12 C ATOM 1204 C SER A 77 6.876 -23.102 -9.400 1.00 32.42 C ATOM 1205 O SER A 77 7.739 -22.377 -9.899 1.00 62.35 O ATOM 1206 CB SER A 77 5.034 -24.031 -10.814 1.00 52.12 C ATOM 1207 OG SER A 77 4.834 -24.858 -11.947 1.00 14.41 O ATOM 0 H SER A 77 5.298 -25.890 -9.217 1.00 25.13 H new ATOM 0 HA SER A 77 7.101 -24.613 -10.897 1.00 13.12 H new ATOM 0 HB2 SER A 77 4.220 -24.178 -10.104 1.00 52.12 H new ATOM 0 HB3 SER A 77 5.009 -22.984 -11.115 1.00 52.12 H new ATOM 0 HG SER A 77 3.972 -24.643 -12.361 1.00 14.41 H new ATOM 1213 N LEU A 78 6.335 -22.866 -8.210 1.00 13.03 N ATOM 1214 CA LEU A 78 6.732 -21.716 -7.403 1.00 50.24 C ATOM 1215 C LEU A 78 8.232 -21.737 -7.127 1.00 51.11 C ATOM 1216 O LEU A 78 8.946 -20.789 -7.453 1.00 65.54 O ATOM 1217 CB LEU A 78 5.958 -21.704 -6.085 1.00 35.41 C ATOM 1218 CG LEU A 78 4.810 -20.699 -5.989 1.00 13.34 C ATOM 1219 CD1 LEU A 78 5.318 -19.285 -6.225 1.00 11.43 C ATOM 1220 CD2 LEU A 78 3.712 -21.046 -6.984 1.00 21.00 C ATOM 0 H LEU A 78 5.621 -23.455 -7.782 1.00 13.03 H new ATOM 0 HA LEU A 78 6.498 -20.810 -7.963 1.00 50.24 H new ATOM 0 HB2 LEU A 78 5.555 -22.702 -5.914 1.00 35.41 H new ATOM 0 HB3 LEU A 78 6.660 -21.501 -5.276 1.00 35.41 H new ATOM 0 HG LEU A 78 4.391 -20.750 -4.984 1.00 13.34 H new ATOM 0 HD11 LEU A 78 4.487 -18.583 -6.153 1.00 11.43 H new ATOM 0 HD12 LEU A 78 6.068 -19.038 -5.474 1.00 11.43 H new ATOM 0 HD13 LEU A 78 5.763 -19.219 -7.218 1.00 11.43 H new ATOM 0 HD21 LEU A 78 2.903 -20.320 -6.901 1.00 21.00 H new ATOM 0 HD22 LEU A 78 4.117 -21.024 -7.996 1.00 21.00 H new ATOM 0 HD23 LEU A 78 3.328 -22.043 -6.769 1.00 21.00 H new ATOM 1232 N TYR A 79 8.701 -22.823 -6.524 1.00 64.43 N ATOM 1233 CA TYR A 79 10.117 -22.968 -6.203 1.00 43.21 C ATOM 1234 C TYR A 79 10.983 -22.710 -7.433 1.00 74.44 C ATOM 1235 O TYR A 79 12.117 -22.245 -7.321 1.00 14.45 O ATOM 1236 CB TYR A 79 10.396 -24.367 -5.653 1.00 75.53 C ATOM 1237 CG TYR A 79 11.656 -24.449 -4.821 1.00 74.40 C ATOM 1238 CD1 TYR A 79 11.739 -23.817 -3.586 1.00 60.52 C ATOM 1239 CD2 TYR A 79 12.763 -25.159 -5.269 1.00 23.23 C ATOM 1240 CE1 TYR A 79 12.889 -23.889 -2.823 1.00 12.20 C ATOM 1241 CE2 TYR A 79 13.916 -25.237 -4.512 1.00 72.41 C ATOM 1242 CZ TYR A 79 13.974 -24.601 -3.290 1.00 24.20 C ATOM 1243 OH TYR A 79 15.121 -24.675 -2.534 1.00 74.41 O ATOM 0 H TYR A 79 8.122 -23.616 -6.247 1.00 64.43 H new ATOM 0 HA TYR A 79 10.369 -22.229 -5.442 1.00 43.21 H new ATOM 0 HB2 TYR A 79 9.548 -24.686 -5.046 1.00 75.53 H new ATOM 0 HB3 TYR A 79 10.474 -25.067 -6.485 1.00 75.53 H new ATOM 0 HD1 TYR A 79 10.891 -23.260 -3.216 1.00 60.52 H new ATOM 0 HD2 TYR A 79 12.721 -25.659 -6.226 1.00 23.23 H new ATOM 0 HE1 TYR A 79 12.938 -23.390 -1.866 1.00 12.20 H new ATOM 0 HE2 TYR A 79 14.767 -25.793 -4.875 1.00 72.41 H new ATOM 0 HH TYR A 79 15.789 -25.215 -3.006 1.00 74.41 H new ATOM 1253 N ASN A 80 10.439 -23.017 -8.606 1.00 61.45 N ATOM 1254 CA ASN A 80 11.162 -22.819 -9.858 1.00 62.15 C ATOM 1255 C ASN A 80 11.275 -21.336 -10.193 1.00 14.45 C ATOM 1256 O ASN A 80 12.290 -20.881 -10.722 1.00 53.32 O ATOM 1257 CB ASN A 80 10.460 -23.559 -10.998 1.00 51.11 C ATOM 1258 CG ASN A 80 11.109 -24.895 -11.307 1.00 14.34 C ATOM 1259 OD1 ASN A 80 11.635 -25.562 -10.417 1.00 33.44 O ATOM 1260 ND2 ASN A 80 11.072 -25.291 -12.574 1.00 2.43 N ATOM 0 H ASN A 80 9.501 -23.403 -8.716 1.00 61.45 H new ATOM 0 HA ASN A 80 12.167 -23.222 -9.736 1.00 62.15 H new ATOM 0 HB2 ASN A 80 9.414 -23.718 -10.734 1.00 51.11 H new ATOM 0 HB3 ASN A 80 10.472 -22.937 -11.893 1.00 51.11 H new ATOM 0 HD21 ASN A 80 11.491 -26.181 -12.842 1.00 2.43 H new ATOM 0 HD22 ASN A 80 10.625 -24.705 -13.279 1.00 2.43 H new ATOM 1267 N THR A 81 10.224 -20.582 -9.879 1.00 70.32 N ATOM 1268 CA THR A 81 10.205 -19.150 -10.147 1.00 51.34 C ATOM 1269 C THR A 81 11.000 -18.383 -9.096 1.00 25.10 C ATOM 1270 O THR A 81 11.953 -17.674 -9.422 1.00 33.00 O ATOM 1271 CB THR A 81 8.763 -18.605 -10.182 1.00 22.52 C ATOM 1272 OG1 THR A 81 7.945 -19.439 -11.008 1.00 51.21 O ATOM 1273 CG2 THR A 81 8.738 -17.179 -10.708 1.00 2.23 C ATOM 0 H THR A 81 9.376 -20.940 -9.439 1.00 70.32 H new ATOM 0 HA THR A 81 10.665 -19.005 -11.124 1.00 51.34 H new ATOM 0 HB THR A 81 8.371 -18.607 -9.165 1.00 22.52 H new ATOM 0 HG1 THR A 81 7.805 -20.302 -10.565 1.00 51.21 H new ATOM 0 HG21 THR A 81 7.711 -16.815 -10.724 1.00 2.23 H new ATOM 0 HG22 THR A 81 9.339 -16.541 -10.060 1.00 2.23 H new ATOM 0 HG23 THR A 81 9.147 -17.157 -11.718 1.00 2.23 H new ATOM 1281 N ILE A 82 10.604 -18.531 -7.837 1.00 32.15 N ATOM 1282 CA ILE A 82 11.283 -17.853 -6.739 1.00 42.12 C ATOM 1283 C ILE A 82 12.786 -18.104 -6.783 1.00 31.01 C ATOM 1284 O ILE A 82 13.578 -17.265 -6.356 1.00 2.01 O ATOM 1285 CB ILE A 82 10.737 -18.308 -5.373 1.00 60.52 C ATOM 1286 CG1 ILE A 82 9.234 -18.035 -5.282 1.00 22.31 C ATOM 1287 CG2 ILE A 82 11.478 -17.606 -4.245 1.00 2.51 C ATOM 1288 CD1 ILE A 82 8.445 -19.185 -4.698 1.00 1.50 C ATOM 0 H ILE A 82 9.817 -19.114 -7.551 1.00 32.15 H new ATOM 0 HA ILE A 82 11.092 -16.787 -6.860 1.00 42.12 H new ATOM 0 HB ILE A 82 10.898 -19.381 -5.274 1.00 60.52 H new ATOM 0 HG12 ILE A 82 9.071 -17.146 -4.672 1.00 22.31 H new ATOM 0 HG13 ILE A 82 8.852 -17.812 -6.278 1.00 22.31 H new ATOM 0 HG21 ILE A 82 11.080 -17.938 -3.286 1.00 2.51 H new ATOM 0 HG22 ILE A 82 12.539 -17.848 -4.301 1.00 2.51 H new ATOM 0 HG23 ILE A 82 11.346 -16.528 -4.338 1.00 2.51 H new ATOM 0 HD11 ILE A 82 7.388 -18.921 -4.664 1.00 1.50 H new ATOM 0 HD12 ILE A 82 8.578 -20.070 -5.320 1.00 1.50 H new ATOM 0 HD13 ILE A 82 8.799 -19.394 -3.689 1.00 1.50 H new ATOM 1300 N ALA A 83 13.171 -19.264 -7.304 1.00 60.23 N ATOM 1301 CA ALA A 83 14.580 -19.625 -7.409 1.00 73.32 C ATOM 1302 C ALA A 83 15.309 -18.713 -8.390 1.00 70.23 C ATOM 1303 O ALA A 83 16.450 -18.317 -8.154 1.00 31.13 O ATOM 1304 CB ALA A 83 14.723 -21.079 -7.830 1.00 44.23 C ATOM 0 H ALA A 83 12.527 -19.970 -7.660 1.00 60.23 H new ATOM 0 HA ALA A 83 15.036 -19.497 -6.427 1.00 73.32 H new ATOM 0 HB1 ALA A 83 15.780 -21.334 -7.904 1.00 44.23 H new ATOM 0 HB2 ALA A 83 14.246 -21.721 -7.089 1.00 44.23 H new ATOM 0 HB3 ALA A 83 14.245 -21.226 -8.799 1.00 44.23 H new ATOM 1310 N VAL A 84 14.642 -18.385 -9.492 1.00 31.51 N ATOM 1311 CA VAL A 84 15.228 -17.519 -10.509 1.00 42.51 C ATOM 1312 C VAL A 84 15.170 -16.056 -10.085 1.00 74.05 C ATOM 1313 O VAL A 84 16.095 -15.286 -10.345 1.00 4.01 O ATOM 1314 CB VAL A 84 14.509 -17.679 -11.863 1.00 34.24 C ATOM 1315 CG1 VAL A 84 15.130 -16.764 -12.907 1.00 12.41 C ATOM 1316 CG2 VAL A 84 14.550 -19.129 -12.319 1.00 31.21 C ATOM 0 H VAL A 84 13.697 -18.705 -9.703 1.00 31.51 H new ATOM 0 HA VAL A 84 16.270 -17.820 -10.620 1.00 42.51 H new ATOM 0 HB VAL A 84 13.465 -17.392 -11.738 1.00 34.24 H new ATOM 0 HG11 VAL A 84 14.610 -16.890 -13.857 1.00 12.41 H new ATOM 0 HG12 VAL A 84 15.043 -15.728 -12.580 1.00 12.41 H new ATOM 0 HG13 VAL A 84 16.183 -17.018 -13.033 1.00 12.41 H new ATOM 0 HG21 VAL A 84 14.038 -19.224 -13.276 1.00 31.21 H new ATOM 0 HG22 VAL A 84 15.587 -19.447 -12.429 1.00 31.21 H new ATOM 0 HG23 VAL A 84 14.055 -19.757 -11.579 1.00 31.21 H new ATOM 1326 N LEU A 85 14.078 -15.678 -9.430 1.00 13.41 N ATOM 1327 CA LEU A 85 13.900 -14.306 -8.968 1.00 52.45 C ATOM 1328 C LEU A 85 14.858 -13.987 -7.826 1.00 15.14 C ATOM 1329 O LEU A 85 15.589 -12.997 -7.873 1.00 10.41 O ATOM 1330 CB LEU A 85 12.455 -14.084 -8.514 1.00 3.23 C ATOM 1331 CG LEU A 85 11.956 -12.639 -8.549 1.00 52.04 C ATOM 1332 CD1 LEU A 85 11.863 -12.141 -9.983 1.00 70.21 C ATOM 1333 CD2 LEU A 85 10.606 -12.524 -7.855 1.00 61.35 C ATOM 0 H LEU A 85 13.303 -16.302 -9.207 1.00 13.41 H new ATOM 0 HA LEU A 85 14.121 -13.637 -9.800 1.00 52.45 H new ATOM 0 HB2 LEU A 85 11.801 -14.689 -9.142 1.00 3.23 H new ATOM 0 HB3 LEU A 85 12.354 -14.458 -7.495 1.00 3.23 H new ATOM 0 HG LEU A 85 12.672 -12.015 -8.014 1.00 52.04 H new ATOM 0 HD11 LEU A 85 11.506 -11.111 -9.988 1.00 70.21 H new ATOM 0 HD12 LEU A 85 12.848 -12.186 -10.448 1.00 70.21 H new ATOM 0 HD13 LEU A 85 11.168 -12.768 -10.542 1.00 70.21 H new ATOM 0 HD21 LEU A 85 10.266 -11.489 -7.889 1.00 61.35 H new ATOM 0 HD22 LEU A 85 9.881 -13.161 -8.362 1.00 61.35 H new ATOM 0 HD23 LEU A 85 10.703 -12.840 -6.816 1.00 61.35 H new ATOM 1345 N TYR A 86 14.852 -14.832 -6.801 1.00 41.22 N ATOM 1346 CA TYR A 86 15.721 -14.640 -5.646 1.00 13.45 C ATOM 1347 C TYR A 86 17.171 -14.454 -6.081 1.00 32.45 C ATOM 1348 O TYR A 86 17.846 -13.520 -5.646 1.00 74.11 O ATOM 1349 CB TYR A 86 15.611 -15.833 -4.694 1.00 1.42 C ATOM 1350 CG TYR A 86 16.627 -15.810 -3.576 1.00 71.14 C ATOM 1351 CD1 TYR A 86 16.539 -14.881 -2.548 1.00 14.12 C ATOM 1352 CD2 TYR A 86 17.677 -16.721 -3.547 1.00 52.23 C ATOM 1353 CE1 TYR A 86 17.466 -14.857 -1.524 1.00 0.42 C ATOM 1354 CE2 TYR A 86 18.608 -16.705 -2.526 1.00 42.25 C ATOM 1355 CZ TYR A 86 18.498 -15.771 -1.518 1.00 34.44 C ATOM 1356 OH TYR A 86 19.424 -15.751 -0.499 1.00 53.33 O ATOM 0 H TYR A 86 14.255 -15.657 -6.746 1.00 41.22 H new ATOM 0 HA TYR A 86 15.398 -13.738 -5.126 1.00 13.45 H new ATOM 0 HB2 TYR A 86 14.610 -15.853 -4.264 1.00 1.42 H new ATOM 0 HB3 TYR A 86 15.731 -16.754 -5.264 1.00 1.42 H new ATOM 0 HD1 TYR A 86 15.731 -14.164 -2.549 1.00 14.12 H new ATOM 0 HD2 TYR A 86 17.766 -17.453 -4.336 1.00 52.23 H new ATOM 0 HE1 TYR A 86 17.383 -14.127 -0.733 1.00 0.42 H new ATOM 0 HE2 TYR A 86 19.417 -17.420 -2.518 1.00 42.25 H new ATOM 0 HH TYR A 86 20.085 -16.460 -0.643 1.00 53.33 H new ATOM 1366 N CYS A 87 17.643 -15.349 -6.941 1.00 20.33 N ATOM 1367 CA CYS A 87 19.013 -15.285 -7.436 1.00 31.43 C ATOM 1368 C CYS A 87 19.327 -13.900 -7.992 1.00 11.23 C ATOM 1369 O CYS A 87 20.471 -13.446 -7.949 1.00 63.24 O ATOM 1370 CB CYS A 87 19.238 -16.344 -8.516 1.00 25.23 C ATOM 1371 SG CYS A 87 19.531 -18.007 -7.870 1.00 53.32 S ATOM 0 H CYS A 87 17.097 -16.128 -7.310 1.00 20.33 H new ATOM 0 HA CYS A 87 19.684 -15.481 -6.600 1.00 31.43 H new ATOM 0 HB2 CYS A 87 18.368 -16.369 -9.172 1.00 25.23 H new ATOM 0 HB3 CYS A 87 20.090 -16.048 -9.128 1.00 25.23 H new ATOM 0 HG CYS A 87 18.396 -18.628 -7.741 1.00 53.32 H new ATOM 1377 N VAL A 88 18.304 -13.232 -8.515 1.00 51.21 N ATOM 1378 CA VAL A 88 18.470 -11.898 -9.081 1.00 54.13 C ATOM 1379 C VAL A 88 18.619 -10.851 -7.983 1.00 22.41 C ATOM 1380 O VAL A 88 19.426 -9.928 -8.098 1.00 21.21 O ATOM 1381 CB VAL A 88 17.277 -11.517 -9.979 1.00 73.33 C ATOM 1382 CG1 VAL A 88 17.532 -10.186 -10.668 1.00 0.14 C ATOM 1383 CG2 VAL A 88 17.009 -12.613 -11.000 1.00 24.12 C ATOM 0 H VAL A 88 17.351 -13.593 -8.559 1.00 51.21 H new ATOM 0 HA VAL A 88 19.377 -11.920 -9.685 1.00 54.13 H new ATOM 0 HB VAL A 88 16.391 -11.411 -9.353 1.00 73.33 H new ATOM 0 HG11 VAL A 88 16.679 -9.933 -11.298 1.00 0.14 H new ATOM 0 HG12 VAL A 88 17.672 -9.408 -9.917 1.00 0.14 H new ATOM 0 HG13 VAL A 88 18.428 -10.261 -11.284 1.00 0.14 H new ATOM 0 HG21 VAL A 88 16.163 -12.328 -11.626 1.00 24.12 H new ATOM 0 HG22 VAL A 88 17.892 -12.753 -11.624 1.00 24.12 H new ATOM 0 HG23 VAL A 88 16.780 -13.544 -10.482 1.00 24.12 H new ATOM 1393 N HIS A 89 17.839 -11.002 -6.919 1.00 15.14 N ATOM 1394 CA HIS A 89 17.885 -10.068 -5.797 1.00 43.02 C ATOM 1395 C HIS A 89 19.093 -10.350 -4.908 1.00 3.22 C ATOM 1396 O HIS A 89 19.359 -9.521 -4.039 1.00 13.44 O ATOM 1397 CB HIS A 89 16.599 -10.161 -4.975 1.00 63.34 C ATOM 1398 CG HIS A 89 15.357 -9.919 -5.776 1.00 73.20 C ATOM 1399 ND1 HIS A 89 15.345 -9.179 -6.939 1.00 54.55 N ATOM 1400 CD2 HIS A 89 14.081 -10.325 -5.576 1.00 31.54 C ATOM 1401 CE1 HIS A 89 14.114 -9.139 -7.419 1.00 70.31 C ATOM 1402 NE2 HIS A 89 13.328 -9.828 -6.610 1.00 24.33 N ATOM 0 H HIS A 89 17.167 -11.761 -6.808 1.00 15.14 H new ATOM 0 HA HIS A 89 17.977 -9.059 -6.198 1.00 43.02 H new ATOM 0 HB2 HIS A 89 16.540 -11.149 -4.518 1.00 63.34 H new ATOM 0 HB3 HIS A 89 16.644 -9.436 -4.162 1.00 63.34 H new ATOM 0 HD2 HIS A 89 13.722 -10.928 -4.755 1.00 31.54 H new ATOM 0 HE1 HIS A 89 13.803 -8.630 -8.319 1.00 70.31 H new ATOM 0 HE2 HIS A 89 12.325 -9.968 -6.734 1.00 24.33 H new ATOM 1411 N GLN A 90 19.806 -11.455 -5.096 1.00 51.54 N ATOM 1412 CA GLN A 90 20.966 -11.766 -4.270 1.00 60.21 C ATOM 1413 C GLN A 90 22.261 -11.431 -5.004 1.00 70.04 C ATOM 1414 O GLN A 90 22.942 -10.462 -4.670 1.00 34.30 O ATOM 1415 CB GLN A 90 20.957 -13.243 -3.875 1.00 65.31 C ATOM 1416 CG GLN A 90 20.736 -13.475 -2.389 1.00 14.22 C ATOM 1417 CD GLN A 90 21.845 -12.891 -1.536 1.00 1.34 C ATOM 1418 OE1 GLN A 90 21.959 -11.672 -1.394 1.00 5.50 O ATOM 1419 NE2 GLN A 90 22.670 -13.758 -0.963 1.00 32.45 N ATOM 0 H GLN A 90 19.601 -12.150 -5.813 1.00 51.54 H new ATOM 0 HA GLN A 90 20.912 -11.157 -3.368 1.00 60.21 H new ATOM 0 HB2 GLN A 90 20.174 -13.755 -4.434 1.00 65.31 H new ATOM 0 HB3 GLN A 90 21.905 -13.694 -4.167 1.00 65.31 H new ATOM 0 HG2 GLN A 90 19.784 -13.033 -2.094 1.00 14.22 H new ATOM 0 HG3 GLN A 90 20.662 -14.546 -2.199 1.00 14.22 H new ATOM 0 HE21 GLN A 90 22.539 -14.759 -1.108 1.00 32.45 H new ATOM 0 HE22 GLN A 90 23.436 -13.423 -0.378 1.00 32.45 H new ATOM 1428 N ARG A 91 22.594 -12.240 -6.005 1.00 33.32 N ATOM 1429 CA ARG A 91 23.807 -12.030 -6.785 1.00 60.41 C ATOM 1430 C ARG A 91 23.940 -13.086 -7.879 1.00 20.04 C ATOM 1431 O ARG A 91 24.415 -12.798 -8.979 1.00 15.24 O ATOM 1432 CB ARG A 91 25.037 -12.067 -5.874 1.00 44.30 C ATOM 1433 CG ARG A 91 25.775 -10.741 -5.794 1.00 14.50 C ATOM 1434 CD ARG A 91 27.260 -10.913 -6.071 1.00 3.34 C ATOM 1435 NE ARG A 91 27.985 -9.648 -5.972 1.00 44.32 N ATOM 1436 CZ ARG A 91 28.026 -8.747 -6.948 1.00 71.31 C ATOM 1437 NH1 ARG A 91 27.388 -8.969 -8.088 1.00 52.44 N1+ ATOM 1438 NH2 ARG A 91 28.707 -7.620 -6.783 1.00 22.04 N ATOM 0 H ARG A 91 22.041 -13.046 -6.294 1.00 33.32 H new ATOM 0 HA ARG A 91 23.741 -11.049 -7.256 1.00 60.41 H new ATOM 0 HB2 ARG A 91 24.727 -12.362 -4.871 1.00 44.30 H new ATOM 0 HB3 ARG A 91 25.723 -12.834 -6.234 1.00 44.30 H new ATOM 0 HG2 ARG A 91 25.348 -10.042 -6.513 1.00 14.50 H new ATOM 0 HG3 ARG A 91 25.636 -10.305 -4.805 1.00 14.50 H new ATOM 0 HD2 ARG A 91 27.680 -11.628 -5.364 1.00 3.34 H new ATOM 0 HD3 ARG A 91 27.397 -11.332 -7.068 1.00 3.34 H new ATOM 0 HE ARG A 91 28.487 -9.446 -5.107 1.00 44.32 H new ATOM 0 HH11 ARG A 91 26.863 -9.834 -8.219 1.00 52.44 H new ATOM 0 HH12 ARG A 91 27.422 -8.275 -8.835 1.00 52.44 H new ATOM 0 HH21 ARG A 91 29.199 -7.445 -5.907 1.00 22.04 H new ATOM 0 HH22 ARG A 91 28.738 -6.929 -7.532 1.00 22.04 H new ATOM 1452 N ILE A 92 23.518 -14.306 -7.569 1.00 44.44 N ATOM 1453 CA ILE A 92 23.589 -15.404 -8.527 1.00 23.20 C ATOM 1454 C ILE A 92 22.948 -15.017 -9.855 1.00 45.41 C ATOM 1455 O ILE A 92 21.820 -14.527 -9.892 1.00 14.35 O ATOM 1456 CB ILE A 92 22.897 -16.669 -7.985 1.00 31.15 C ATOM 1457 CG1 ILE A 92 23.521 -17.086 -6.653 1.00 73.52 C ATOM 1458 CG2 ILE A 92 22.992 -17.799 -8.999 1.00 71.41 C ATOM 1459 CD1 ILE A 92 22.551 -17.047 -5.492 1.00 64.32 C ATOM 0 H ILE A 92 23.124 -14.560 -6.663 1.00 44.44 H new ATOM 0 HA ILE A 92 24.646 -15.617 -8.685 1.00 23.20 H new ATOM 0 HB ILE A 92 21.843 -16.446 -7.816 1.00 31.15 H new ATOM 0 HG12 ILE A 92 23.920 -18.096 -6.748 1.00 73.52 H new ATOM 0 HG13 ILE A 92 24.363 -16.430 -6.434 1.00 73.52 H new ATOM 0 HG21 ILE A 92 22.499 -18.686 -8.602 1.00 71.41 H new ATOM 0 HG22 ILE A 92 22.505 -17.497 -9.927 1.00 71.41 H new ATOM 0 HG23 ILE A 92 24.040 -18.024 -9.196 1.00 71.41 H new ATOM 0 HD11 ILE A 92 23.062 -17.355 -4.580 1.00 64.32 H new ATOM 0 HD12 ILE A 92 22.170 -16.033 -5.370 1.00 64.32 H new ATOM 0 HD13 ILE A 92 21.721 -17.725 -5.689 1.00 64.32 H new ATOM 1471 N ASP A 93 23.674 -15.242 -10.944 1.00 61.24 N ATOM 1472 CA ASP A 93 23.176 -14.920 -12.276 1.00 44.45 C ATOM 1473 C ASP A 93 23.038 -16.181 -13.124 1.00 20.02 C ATOM 1474 O ASP A 93 23.644 -16.296 -14.190 1.00 34.55 O ATOM 1475 CB ASP A 93 24.110 -13.927 -12.967 1.00 20.23 C ATOM 1476 CG ASP A 93 23.501 -13.336 -14.223 1.00 1.45 C ATOM 1477 OD1 ASP A 93 22.285 -13.525 -14.439 1.00 23.42 O ATOM 1478 OD2 ASP A 93 24.239 -12.682 -14.990 1.00 14.42 O1- ATOM 0 H ASP A 93 24.610 -15.647 -10.931 1.00 61.24 H new ATOM 0 HA ASP A 93 22.191 -14.466 -12.168 1.00 44.45 H new ATOM 0 HB2 ASP A 93 24.357 -13.123 -12.274 1.00 20.23 H new ATOM 0 HB3 ASP A 93 25.044 -14.428 -13.221 1.00 20.23 H new ATOM 1483 N VAL A 94 22.236 -17.126 -12.644 1.00 71.12 N ATOM 1484 CA VAL A 94 22.017 -18.379 -13.357 1.00 24.34 C ATOM 1485 C VAL A 94 21.488 -18.125 -14.765 1.00 14.43 C ATOM 1486 O VAL A 94 21.132 -16.998 -15.113 1.00 70.42 O ATOM 1487 CB VAL A 94 21.028 -19.289 -12.605 1.00 22.23 C ATOM 1488 CG1 VAL A 94 21.569 -19.642 -11.228 1.00 62.04 C ATOM 1489 CG2 VAL A 94 19.667 -18.619 -12.495 1.00 0.43 C ATOM 0 H VAL A 94 21.727 -17.048 -11.764 1.00 71.12 H new ATOM 0 HA VAL A 94 22.983 -18.880 -13.419 1.00 24.34 H new ATOM 0 HB VAL A 94 20.909 -20.213 -13.171 1.00 22.23 H new ATOM 0 HG11 VAL A 94 20.857 -20.285 -10.711 1.00 62.04 H new ATOM 0 HG12 VAL A 94 22.520 -20.164 -11.334 1.00 62.04 H new ATOM 0 HG13 VAL A 94 21.719 -18.729 -10.651 1.00 62.04 H new ATOM 0 HG21 VAL A 94 18.980 -19.276 -11.961 1.00 0.43 H new ATOM 0 HG22 VAL A 94 19.767 -17.679 -11.952 1.00 0.43 H new ATOM 0 HG23 VAL A 94 19.277 -18.421 -13.493 1.00 0.43 H new ATOM 1499 N LYS A 95 21.436 -19.180 -15.571 1.00 21.54 N ATOM 1500 CA LYS A 95 20.950 -19.073 -16.941 1.00 14.33 C ATOM 1501 C LYS A 95 19.564 -19.697 -17.075 1.00 74.12 C ATOM 1502 O LYS A 95 18.785 -19.320 -17.952 1.00 70.23 O ATOM 1503 CB LYS A 95 21.923 -19.755 -17.905 1.00 12.41 C ATOM 1504 CG LYS A 95 22.733 -18.780 -18.742 1.00 3.12 C ATOM 1505 CD LYS A 95 23.580 -19.502 -19.777 1.00 13.44 C ATOM 1506 CE LYS A 95 24.896 -18.781 -20.020 1.00 31.31 C ATOM 1507 NZ LYS A 95 25.853 -18.981 -18.897 1.00 22.21 N1+ ATOM 0 H LYS A 95 21.725 -20.120 -15.299 1.00 21.54 H new ATOM 0 HA LYS A 95 20.880 -18.015 -17.194 1.00 14.33 H new ATOM 0 HB2 LYS A 95 22.605 -20.385 -17.334 1.00 12.41 H new ATOM 0 HB3 LYS A 95 21.362 -20.413 -18.569 1.00 12.41 H new ATOM 0 HG2 LYS A 95 22.061 -18.083 -19.243 1.00 3.12 H new ATOM 0 HG3 LYS A 95 23.378 -18.189 -18.091 1.00 3.12 H new ATOM 0 HD2 LYS A 95 23.778 -20.520 -19.441 1.00 13.44 H new ATOM 0 HD3 LYS A 95 23.027 -19.577 -20.713 1.00 13.44 H new ATOM 0 HE2 LYS A 95 25.342 -19.142 -20.946 1.00 31.31 H new ATOM 0 HE3 LYS A 95 24.708 -17.715 -20.151 1.00 31.31 H new ATOM 0 HZ1 LYS A 95 26.797 -18.652 -19.183 1.00 22.21 H new ATOM 0 HZ2 LYS A 95 25.534 -18.440 -18.068 1.00 22.21 H new ATOM 0 HZ3 LYS A 95 25.897 -19.991 -18.654 1.00 22.21 H new ATOM 1521 N ASP A 96 19.262 -20.650 -16.201 1.00 60.24 N ATOM 1522 CA ASP A 96 17.969 -21.325 -16.220 1.00 24.31 C ATOM 1523 C ASP A 96 17.466 -21.575 -14.802 1.00 63.22 C ATOM 1524 O ASP A 96 18.138 -21.245 -13.825 1.00 14.42 O ATOM 1525 CB ASP A 96 18.072 -22.648 -16.980 1.00 72.03 C ATOM 1526 CG ASP A 96 19.389 -23.356 -16.735 1.00 20.21 C ATOM 1527 OD1 ASP A 96 19.564 -23.922 -15.635 1.00 52.35 O ATOM 1528 OD2 ASP A 96 20.247 -23.345 -17.643 1.00 12.23 O1- ATOM 0 H ASP A 96 19.895 -20.973 -15.470 1.00 60.24 H new ATOM 0 HA ASP A 96 17.256 -20.677 -16.730 1.00 24.31 H new ATOM 0 HB2 ASP A 96 17.251 -23.300 -16.681 1.00 72.03 H new ATOM 0 HB3 ASP A 96 17.957 -22.460 -18.048 1.00 72.03 H new ATOM 1533 N THR A 97 16.277 -22.162 -14.697 1.00 72.31 N ATOM 1534 CA THR A 97 15.683 -22.456 -13.399 1.00 11.31 C ATOM 1535 C THR A 97 16.461 -23.546 -12.671 1.00 20.31 C ATOM 1536 O THR A 97 16.655 -23.479 -11.457 1.00 15.10 O ATOM 1537 CB THR A 97 14.213 -22.898 -13.541 1.00 25.23 C ATOM 1538 OG1 THR A 97 13.456 -21.876 -14.198 1.00 25.30 O ATOM 1539 CG2 THR A 97 13.603 -23.192 -12.180 1.00 71.10 C ATOM 0 H THR A 97 15.707 -22.443 -15.495 1.00 72.31 H new ATOM 0 HA THR A 97 15.724 -21.535 -12.818 1.00 11.31 H new ATOM 0 HB THR A 97 14.186 -23.810 -14.138 1.00 25.23 H new ATOM 0 HG1 THR A 97 13.896 -21.632 -15.039 1.00 25.30 H new ATOM 0 HG21 THR A 97 12.566 -23.502 -12.306 1.00 71.10 H new ATOM 0 HG22 THR A 97 14.164 -23.991 -11.695 1.00 71.10 H new ATOM 0 HG23 THR A 97 13.641 -22.295 -11.563 1.00 71.10 H new ATOM 1547 N LYS A 98 16.905 -24.549 -13.419 1.00 64.50 N ATOM 1548 CA LYS A 98 17.666 -25.653 -12.847 1.00 54.11 C ATOM 1549 C LYS A 98 18.911 -25.142 -12.129 1.00 63.54 C ATOM 1550 O LYS A 98 19.160 -25.490 -10.975 1.00 71.14 O ATOM 1551 CB LYS A 98 18.065 -26.647 -13.940 1.00 32.02 C ATOM 1552 CG LYS A 98 18.442 -28.018 -13.408 1.00 43.41 C ATOM 1553 CD LYS A 98 19.941 -28.142 -13.196 1.00 25.01 C ATOM 1554 CE LYS A 98 20.263 -28.909 -11.923 1.00 1.22 C ATOM 1555 NZ LYS A 98 21.236 -30.009 -12.168 1.00 15.43 N1+ ATOM 0 H LYS A 98 16.751 -24.620 -14.425 1.00 64.50 H new ATOM 0 HA LYS A 98 17.031 -26.159 -12.120 1.00 54.11 H new ATOM 0 HB2 LYS A 98 17.238 -26.754 -14.642 1.00 32.02 H new ATOM 0 HB3 LYS A 98 18.907 -26.240 -14.500 1.00 32.02 H new ATOM 0 HG2 LYS A 98 17.924 -28.198 -12.466 1.00 43.41 H new ATOM 0 HG3 LYS A 98 18.108 -28.785 -14.107 1.00 43.41 H new ATOM 0 HD2 LYS A 98 20.390 -28.649 -14.050 1.00 25.01 H new ATOM 0 HD3 LYS A 98 20.386 -27.148 -13.145 1.00 25.01 H new ATOM 0 HE2 LYS A 98 20.670 -28.224 -11.179 1.00 1.22 H new ATOM 0 HE3 LYS A 98 19.345 -29.323 -11.506 1.00 1.22 H new ATOM 0 HZ1 LYS A 98 21.429 -30.507 -11.276 1.00 15.43 H new ATOM 0 HZ2 LYS A 98 20.838 -30.677 -12.858 1.00 15.43 H new ATOM 0 HZ3 LYS A 98 22.122 -29.612 -12.541 1.00 15.43 H new ATOM 1569 N GLU A 99 19.690 -24.316 -12.820 1.00 3.31 N ATOM 1570 CA GLU A 99 20.909 -23.757 -12.248 1.00 74.03 C ATOM 1571 C GLU A 99 20.626 -23.105 -10.898 1.00 22.12 C ATOM 1572 O GLU A 99 21.366 -23.300 -9.934 1.00 63.14 O ATOM 1573 CB GLU A 99 21.524 -22.733 -13.203 1.00 22.21 C ATOM 1574 CG GLU A 99 22.703 -23.272 -13.998 1.00 55.33 C ATOM 1575 CD GLU A 99 23.978 -22.489 -13.756 1.00 12.52 C ATOM 1576 OE1 GLU A 99 24.041 -21.315 -14.176 1.00 10.13 O1- ATOM 1577 OE2 GLU A 99 24.912 -23.050 -13.146 1.00 10.20 O ATOM 0 H GLU A 99 19.499 -24.019 -13.777 1.00 3.31 H new ATOM 0 HA GLU A 99 21.617 -24.572 -12.097 1.00 74.03 H new ATOM 0 HB2 GLU A 99 20.756 -22.389 -13.896 1.00 22.21 H new ATOM 0 HB3 GLU A 99 21.849 -21.864 -12.630 1.00 22.21 H new ATOM 0 HG2 GLU A 99 22.867 -24.317 -13.734 1.00 55.33 H new ATOM 0 HG3 GLU A 99 22.462 -23.246 -15.061 1.00 55.33 H new ATOM 1584 N ALA A 100 19.551 -22.326 -10.837 1.00 43.41 N ATOM 1585 CA ALA A 100 19.168 -21.646 -9.607 1.00 34.33 C ATOM 1586 C ALA A 100 18.911 -22.645 -8.483 1.00 24.12 C ATOM 1587 O ALA A 100 19.068 -22.324 -7.305 1.00 70.34 O ATOM 1588 CB ALA A 100 17.938 -20.783 -9.840 1.00 23.11 C ATOM 0 H ALA A 100 18.930 -22.150 -11.627 1.00 43.41 H new ATOM 0 HA ALA A 100 19.996 -21.004 -9.305 1.00 34.33 H new ATOM 0 HB1 ALA A 100 17.664 -20.281 -8.912 1.00 23.11 H new ATOM 0 HB2 ALA A 100 18.156 -20.037 -10.605 1.00 23.11 H new ATOM 0 HB3 ALA A 100 17.111 -21.411 -10.171 1.00 23.11 H new ATOM 1594 N LEU A 101 18.513 -23.856 -8.856 1.00 51.34 N ATOM 1595 CA LEU A 101 18.232 -24.903 -7.879 1.00 63.33 C ATOM 1596 C LEU A 101 19.526 -25.468 -7.300 1.00 14.41 C ATOM 1597 O LEU A 101 19.661 -25.612 -6.085 1.00 14.22 O ATOM 1598 CB LEU A 101 17.417 -26.024 -8.525 1.00 41.15 C ATOM 1599 CG LEU A 101 16.195 -26.504 -7.741 1.00 32.54 C ATOM 1600 CD1 LEU A 101 16.605 -26.991 -6.360 1.00 11.45 C ATOM 1601 CD2 LEU A 101 15.162 -25.392 -7.632 1.00 53.32 C ATOM 0 H LEU A 101 18.378 -24.138 -9.827 1.00 51.34 H new ATOM 0 HA LEU A 101 17.653 -24.463 -7.067 1.00 63.33 H new ATOM 0 HB2 LEU A 101 17.084 -25.685 -9.506 1.00 41.15 H new ATOM 0 HB3 LEU A 101 18.076 -26.877 -8.689 1.00 41.15 H new ATOM 0 HG LEU A 101 15.746 -27.339 -8.279 1.00 32.54 H new ATOM 0 HD11 LEU A 101 15.723 -27.329 -5.816 1.00 11.45 H new ATOM 0 HD12 LEU A 101 17.308 -27.818 -6.460 1.00 11.45 H new ATOM 0 HD13 LEU A 101 17.078 -26.176 -5.813 1.00 11.45 H new ATOM 0 HD21 LEU A 101 14.299 -25.751 -7.071 1.00 53.32 H new ATOM 0 HD22 LEU A 101 15.600 -24.538 -7.116 1.00 53.32 H new ATOM 0 HD23 LEU A 101 14.846 -25.090 -8.630 1.00 53.32 H new ATOM 1613 N ASP A 102 20.472 -25.784 -8.176 1.00 61.32 N ATOM 1614 CA ASP A 102 21.756 -26.330 -7.751 1.00 11.13 C ATOM 1615 C ASP A 102 22.526 -25.315 -6.912 1.00 74.25 C ATOM 1616 O ASP A 102 23.127 -25.663 -5.895 1.00 32.35 O ATOM 1617 CB ASP A 102 22.587 -26.741 -8.967 1.00 25.34 C ATOM 1618 CG ASP A 102 23.759 -27.627 -8.595 1.00 52.04 C ATOM 1619 OD1 ASP A 102 23.729 -28.219 -7.494 1.00 2.41 O1- ATOM 1620 OD2 ASP A 102 24.706 -27.730 -9.402 1.00 53.42 O ATOM 0 H ASP A 102 20.375 -25.672 -9.185 1.00 61.32 H new ATOM 0 HA ASP A 102 21.564 -27.211 -7.138 1.00 11.13 H new ATOM 0 HB2 ASP A 102 21.950 -27.266 -9.678 1.00 25.34 H new ATOM 0 HB3 ASP A 102 22.956 -25.847 -9.470 1.00 25.34 H new ATOM 1625 N LYS A 103 22.506 -24.059 -7.344 1.00 2.42 N ATOM 1626 CA LYS A 103 23.201 -22.992 -6.634 1.00 72.14 C ATOM 1627 C LYS A 103 22.708 -22.885 -5.195 1.00 53.05 C ATOM 1628 O LYS A 103 23.501 -22.919 -4.253 1.00 2.04 O ATOM 1629 CB LYS A 103 23.001 -21.658 -7.354 1.00 31.34 C ATOM 1630 CG LYS A 103 23.928 -21.460 -8.541 1.00 73.44 C ATOM 1631 CD LYS A 103 25.329 -21.076 -8.095 1.00 24.25 C ATOM 1632 CE LYS A 103 26.353 -21.332 -9.191 1.00 2.22 C ATOM 1633 NZ LYS A 103 27.677 -20.736 -8.864 1.00 33.40 N1+ ATOM 0 H LYS A 103 22.015 -23.754 -8.184 1.00 2.42 H new ATOM 0 HA LYS A 103 24.264 -23.233 -6.618 1.00 72.14 H new ATOM 0 HB2 LYS A 103 21.968 -21.591 -7.696 1.00 31.34 H new ATOM 0 HB3 LYS A 103 23.155 -20.845 -6.644 1.00 31.34 H new ATOM 0 HG2 LYS A 103 23.970 -22.378 -9.128 1.00 73.44 H new ATOM 0 HG3 LYS A 103 23.527 -20.683 -9.192 1.00 73.44 H new ATOM 0 HD2 LYS A 103 25.347 -20.022 -7.817 1.00 24.25 H new ATOM 0 HD3 LYS A 103 25.597 -21.645 -7.205 1.00 24.25 H new ATOM 0 HE2 LYS A 103 26.465 -22.406 -9.339 1.00 2.22 H new ATOM 0 HE3 LYS A 103 25.990 -20.917 -10.131 1.00 2.22 H new ATOM 0 HZ1 LYS A 103 28.346 -20.933 -9.635 1.00 33.40 H new ATOM 0 HZ2 LYS A 103 27.575 -19.708 -8.747 1.00 33.40 H new ATOM 0 HZ3 LYS A 103 28.036 -21.151 -7.980 1.00 33.40 H new ATOM 1647 N ILE A 104 21.396 -22.759 -5.032 1.00 41.43 N ATOM 1648 CA ILE A 104 20.797 -22.649 -3.707 1.00 73.34 C ATOM 1649 C ILE A 104 20.960 -23.947 -2.922 1.00 51.53 C ATOM 1650 O ILE A 104 21.241 -23.929 -1.725 1.00 13.44 O ATOM 1651 CB ILE A 104 19.300 -22.297 -3.792 1.00 61.53 C ATOM 1652 CG1 ILE A 104 19.105 -20.988 -4.558 1.00 5.44 C ATOM 1653 CG2 ILE A 104 18.699 -22.198 -2.398 1.00 23.54 C ATOM 1654 CD1 ILE A 104 17.666 -20.719 -4.938 1.00 50.43 C ATOM 0 H ILE A 104 20.727 -22.730 -5.801 1.00 41.43 H new ATOM 0 HA ILE A 104 21.320 -21.845 -3.189 1.00 73.34 H new ATOM 0 HB ILE A 104 18.785 -23.091 -4.332 1.00 61.53 H new ATOM 0 HG12 ILE A 104 19.472 -20.162 -3.949 1.00 5.44 H new ATOM 0 HG13 ILE A 104 19.713 -21.012 -5.462 1.00 5.44 H new ATOM 0 HG21 ILE A 104 17.641 -21.949 -2.475 1.00 23.54 H new ATOM 0 HG22 ILE A 104 18.810 -23.153 -1.885 1.00 23.54 H new ATOM 0 HG23 ILE A 104 19.215 -21.421 -1.834 1.00 23.54 H new ATOM 0 HD11 ILE A 104 17.603 -19.774 -5.478 1.00 50.43 H new ATOM 0 HD12 ILE A 104 17.301 -21.526 -5.573 1.00 50.43 H new ATOM 0 HD13 ILE A 104 17.056 -20.663 -4.036 1.00 50.43 H new ATOM 1666 N GLU A 105 20.781 -25.073 -3.607 1.00 53.32 N ATOM 1667 CA GLU A 105 20.908 -26.380 -2.973 1.00 42.41 C ATOM 1668 C GLU A 105 22.318 -26.584 -2.427 1.00 41.03 C ATOM 1669 O GLU A 105 22.498 -27.127 -1.337 1.00 24.52 O ATOM 1670 CB GLU A 105 20.569 -27.490 -3.971 1.00 23.22 C ATOM 1671 CG GLU A 105 20.533 -28.877 -3.350 1.00 13.24 C ATOM 1672 CD GLU A 105 19.133 -29.459 -3.306 1.00 30.11 C ATOM 1673 OE1 GLU A 105 18.391 -29.295 -4.296 1.00 23.12 O1- ATOM 1674 OE2 GLU A 105 18.782 -30.079 -2.280 1.00 43.03 O ATOM 0 H GLU A 105 20.548 -25.106 -4.599 1.00 53.32 H new ATOM 0 HA GLU A 105 20.205 -26.423 -2.141 1.00 42.41 H new ATOM 0 HB2 GLU A 105 19.600 -27.278 -4.422 1.00 23.22 H new ATOM 0 HB3 GLU A 105 21.304 -27.480 -4.776 1.00 23.22 H new ATOM 0 HG2 GLU A 105 21.182 -29.543 -3.919 1.00 13.24 H new ATOM 0 HG3 GLU A 105 20.935 -28.829 -2.338 1.00 13.24 H new