USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=19 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 65 GLN : amide:sc= 0 X(o=-0.63,f=-0.63) USER MOD Set 1.2: A 79 TYR OH : rot 180:sc= -0.627 USER MOD Set 2.1: A 29 TYR OH : rot 30:sc= 0.956 USER MOD Set 2.2: A 97 THR OG1 : rot -122:sc= 0.555 USER MOD Single : A 9 SER OG : rot 180:sc= -0.32 USER MOD Single : A 15 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0266) USER MOD Single : A 18 LYS NZ :NH3+ -123:sc= -0.318 (180deg=-3.23!) 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= -2.5 K(o=-2.5,f=-4.2!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -0.0445 K(o=-0.044,f=-5.2!) USER MOD Single : A 38 SER OG : rot 80:sc= 1.24 USER MOD Single : A 47 ASN : amide:sc= -0.24 X(o=-0.24,f=0) USER MOD Single : A 53 THR OG1 : rot -47:sc= 1.6 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot -101:sc= -0.396 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 99:sc= 0.547 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0.00763 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -1.37 X(o=-1.4,f=-1.1) USER MOD Single : A 81 THR OG1 : rot 76:sc= 0.125 USER MOD Single : A 86 TYR OH : rot 180:sc= -0.0528 USER MOD Single : A 87 CYS SG : rot 79:sc= -0.0856 USER MOD Single : A 89 HIS : +bothHN:sc= -0.633! C(o=-0.63!,f=-4.1!) USER MOD Single : A 90 GLN : amide:sc= -0.0402 X(o=-0.04,f=-0.53) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.00735) USER MOD ----------------------------------------------------------------- ATOM 63 N VAL A 7 9.051 -5.388 -8.731 1.00 61.21 N ATOM 64 CA VAL A 7 9.671 -6.693 -8.533 1.00 75.31 C ATOM 65 C VAL A 7 11.066 -6.738 -9.147 1.00 62.45 C ATOM 66 O VAL A 7 12.060 -6.916 -8.443 1.00 24.21 O ATOM 67 CB VAL A 7 8.817 -7.818 -9.145 1.00 34.44 C ATOM 68 CG1 VAL A 7 9.381 -9.181 -8.771 1.00 43.52 C ATOM 69 CG2 VAL A 7 7.369 -7.692 -8.695 1.00 70.24 C ATOM 0 HA VAL A 7 9.746 -6.848 -7.457 1.00 75.31 H new ATOM 0 HB VAL A 7 8.847 -7.723 -10.230 1.00 34.44 H new ATOM 0 HG11 VAL A 7 8.764 -9.964 -9.213 1.00 43.52 H new ATOM 0 HG12 VAL A 7 10.401 -9.268 -9.146 1.00 43.52 H new ATOM 0 HG13 VAL A 7 9.383 -9.289 -7.686 1.00 43.52 H new ATOM 0 HG21 VAL A 7 6.779 -8.495 -9.137 1.00 70.24 H new ATOM 0 HG22 VAL A 7 7.318 -7.760 -7.608 1.00 70.24 H new ATOM 0 HG23 VAL A 7 6.970 -6.730 -9.017 1.00 70.24 H new ATOM 79 N LEU A 8 11.132 -6.573 -10.464 1.00 31.20 N ATOM 80 CA LEU A 8 12.406 -6.594 -11.174 1.00 41.02 C ATOM 81 C LEU A 8 12.650 -5.270 -11.893 1.00 0.41 C ATOM 82 O LEU A 8 11.863 -4.861 -12.746 1.00 10.12 O ATOM 83 CB LEU A 8 12.432 -7.746 -12.180 1.00 35.10 C ATOM 84 CG LEU A 8 12.397 -9.156 -11.588 1.00 54.44 C ATOM 85 CD1 LEU A 8 12.316 -10.196 -12.694 1.00 33.24 C ATOM 86 CD2 LEU A 8 13.619 -9.396 -10.713 1.00 21.54 C ATOM 0 H LEU A 8 10.319 -6.423 -11.061 1.00 31.20 H new ATOM 0 HA LEU A 8 13.200 -6.741 -10.442 1.00 41.02 H new ATOM 0 HB2 LEU A 8 11.581 -7.634 -12.852 1.00 35.10 H new ATOM 0 HB3 LEU A 8 13.332 -7.651 -12.788 1.00 35.10 H new ATOM 0 HG LEU A 8 11.507 -9.248 -10.966 1.00 54.44 H new ATOM 0 HD11 LEU A 8 12.292 -11.193 -12.255 1.00 33.24 H new ATOM 0 HD12 LEU A 8 11.410 -10.035 -13.279 1.00 33.24 H new ATOM 0 HD13 LEU A 8 13.187 -10.106 -13.342 1.00 33.24 H new ATOM 0 HD21 LEU A 8 13.578 -10.404 -10.300 1.00 21.54 H new ATOM 0 HD22 LEU A 8 14.523 -9.286 -11.312 1.00 21.54 H new ATOM 0 HD23 LEU A 8 13.632 -8.671 -9.900 1.00 21.54 H new ATOM 98 N SER A 9 13.748 -4.607 -11.542 1.00 60.31 N ATOM 99 CA SER A 9 14.095 -3.329 -12.152 1.00 63.30 C ATOM 100 C SER A 9 14.472 -3.512 -13.619 1.00 43.23 C ATOM 101 O SER A 9 14.342 -4.603 -14.174 1.00 54.53 O ATOM 102 CB SER A 9 15.252 -2.676 -11.394 1.00 44.51 C ATOM 103 OG SER A 9 16.495 -3.241 -11.776 1.00 61.01 O ATOM 0 H SER A 9 14.411 -4.934 -10.839 1.00 60.31 H new ATOM 0 HA SER A 9 13.222 -2.679 -12.098 1.00 63.30 H new ATOM 0 HB2 SER A 9 15.261 -1.604 -11.590 1.00 44.51 H new ATOM 0 HB3 SER A 9 15.106 -2.802 -10.321 1.00 44.51 H new ATOM 0 HG SER A 9 17.219 -2.806 -11.279 1.00 61.01 H new ATOM 109 N GLY A 10 14.941 -2.435 -14.242 1.00 5.11 N ATOM 110 CA GLY A 10 15.330 -2.496 -15.639 1.00 0.43 C ATOM 111 C GLY A 10 16.341 -3.592 -15.911 1.00 20.51 C ATOM 112 O GLY A 10 16.162 -4.398 -16.824 1.00 41.20 O ATOM 0 H GLY A 10 15.058 -1.521 -13.804 1.00 5.11 H new ATOM 0 HA2 GLY A 10 14.445 -2.662 -16.253 1.00 0.43 H new ATOM 0 HA3 GLY A 10 15.750 -1.536 -15.938 1.00 0.43 H new ATOM 116 N GLY A 11 17.408 -3.621 -15.119 1.00 23.13 N ATOM 117 CA GLY A 11 18.437 -4.630 -15.297 1.00 55.31 C ATOM 118 C GLY A 11 17.939 -6.027 -14.984 1.00 43.03 C ATOM 119 O GLY A 11 18.198 -6.967 -15.735 1.00 62.45 O ATOM 0 H GLY A 11 17.579 -2.964 -14.357 1.00 23.13 H new ATOM 0 HA2 GLY A 11 18.799 -4.598 -16.325 1.00 55.31 H new ATOM 0 HA3 GLY A 11 19.285 -4.397 -14.653 1.00 55.31 H new ATOM 123 N GLU A 12 17.225 -6.164 -13.872 1.00 20.33 N ATOM 124 CA GLU A 12 16.693 -7.458 -13.461 1.00 22.44 C ATOM 125 C GLU A 12 15.693 -7.985 -14.486 1.00 60.42 C ATOM 126 O GLU A 12 15.528 -9.196 -14.645 1.00 32.31 O ATOM 127 CB GLU A 12 16.023 -7.348 -12.090 1.00 3.01 C ATOM 128 CG GLU A 12 16.853 -6.588 -11.068 1.00 12.15 C ATOM 129 CD GLU A 12 16.253 -6.639 -9.676 1.00 71.41 C ATOM 130 OE1 GLU A 12 15.395 -5.785 -9.369 1.00 53.22 O ATOM 131 OE2 GLU A 12 16.640 -7.533 -8.895 1.00 55.12 O1- ATOM 0 H GLU A 12 17.001 -5.396 -13.240 1.00 20.33 H new ATOM 0 HA GLU A 12 17.525 -8.159 -13.395 1.00 22.44 H new ATOM 0 HB2 GLU A 12 15.059 -6.852 -12.204 1.00 3.01 H new ATOM 0 HB3 GLU A 12 15.823 -8.350 -11.711 1.00 3.01 H new ATOM 0 HG2 GLU A 12 17.860 -7.004 -11.041 1.00 12.15 H new ATOM 0 HG3 GLU A 12 16.946 -5.548 -11.382 1.00 12.15 H new ATOM 138 N LEU A 13 15.027 -7.069 -15.180 1.00 73.14 N ATOM 139 CA LEU A 13 14.041 -7.440 -16.190 1.00 51.53 C ATOM 140 C LEU A 13 14.714 -8.099 -17.389 1.00 30.20 C ATOM 141 O LEU A 13 14.310 -9.179 -17.823 1.00 63.14 O ATOM 142 CB LEU A 13 13.258 -6.205 -16.644 1.00 4.04 C ATOM 143 CG LEU A 13 11.946 -6.478 -17.379 1.00 55.11 C ATOM 144 CD1 LEU A 13 10.946 -7.154 -16.453 1.00 71.01 C ATOM 145 CD2 LEU A 13 11.369 -5.184 -17.936 1.00 11.15 C ATOM 0 H LEU A 13 15.152 -6.064 -15.062 1.00 73.14 H new ATOM 0 HA LEU A 13 13.351 -8.156 -15.745 1.00 51.53 H new ATOM 0 HB2 LEU A 13 13.041 -5.594 -15.768 1.00 4.04 H new ATOM 0 HB3 LEU A 13 13.900 -5.611 -17.295 1.00 4.04 H new ATOM 0 HG LEU A 13 12.151 -7.151 -18.212 1.00 55.11 H new ATOM 0 HD11 LEU A 13 10.018 -7.341 -16.994 1.00 71.01 H new ATOM 0 HD12 LEU A 13 11.358 -8.100 -16.101 1.00 71.01 H new ATOM 0 HD13 LEU A 13 10.745 -6.506 -15.600 1.00 71.01 H new ATOM 0 HD21 LEU A 13 10.435 -5.396 -18.456 1.00 11.15 H new ATOM 0 HD22 LEU A 13 11.179 -4.489 -17.118 1.00 11.15 H new ATOM 0 HD23 LEU A 13 12.079 -4.739 -18.633 1.00 11.15 H new ATOM 157 N ASP A 14 15.741 -7.444 -17.919 1.00 31.35 N ATOM 158 CA ASP A 14 16.471 -7.970 -19.067 1.00 43.25 C ATOM 159 C ASP A 14 16.920 -9.405 -18.816 1.00 12.32 C ATOM 160 O ASP A 14 16.681 -10.295 -19.633 1.00 75.04 O ATOM 161 CB ASP A 14 17.684 -7.089 -19.372 1.00 43.51 C ATOM 162 CG ASP A 14 17.295 -5.760 -19.990 1.00 0.41 C ATOM 163 OD1 ASP A 14 16.484 -5.036 -19.376 1.00 42.50 O ATOM 164 OD2 ASP A 14 17.803 -5.445 -21.085 1.00 70.25 O1- ATOM 0 H ASP A 14 16.087 -6.549 -17.573 1.00 31.35 H new ATOM 0 HA ASP A 14 15.801 -7.964 -19.926 1.00 43.25 H new ATOM 0 HB2 ASP A 14 18.239 -6.909 -18.451 1.00 43.51 H new ATOM 0 HB3 ASP A 14 18.353 -7.619 -20.050 1.00 43.51 H new ATOM 169 N LYS A 15 17.573 -9.625 -17.680 1.00 4.54 N ATOM 170 CA LYS A 15 18.057 -10.953 -17.319 1.00 35.23 C ATOM 171 C LYS A 15 16.892 -11.913 -17.095 1.00 64.04 C ATOM 172 O LYS A 15 16.936 -13.067 -17.522 1.00 4.11 O ATOM 173 CB LYS A 15 18.920 -10.879 -16.058 1.00 15.02 C ATOM 174 CG LYS A 15 20.132 -9.976 -16.202 1.00 73.32 C ATOM 175 CD LYS A 15 21.331 -10.735 -16.745 1.00 31.03 C ATOM 176 CE LYS A 15 22.040 -9.949 -17.837 1.00 23.24 C ATOM 177 NZ LYS A 15 22.760 -10.843 -18.786 1.00 20.23 N1+ ATOM 0 H LYS A 15 17.780 -8.900 -16.993 1.00 4.54 H new ATOM 0 HA LYS A 15 18.662 -11.329 -18.144 1.00 35.23 H new ATOM 0 HB2 LYS A 15 18.308 -10.522 -15.230 1.00 15.02 H new ATOM 0 HB3 LYS A 15 19.255 -11.883 -15.798 1.00 15.02 H new ATOM 0 HG2 LYS A 15 19.892 -9.147 -16.868 1.00 73.32 H new ATOM 0 HG3 LYS A 15 20.382 -9.544 -15.233 1.00 73.32 H new ATOM 0 HD2 LYS A 15 22.029 -10.944 -15.934 1.00 31.03 H new ATOM 0 HD3 LYS A 15 21.005 -11.697 -17.141 1.00 31.03 H new ATOM 0 HE2 LYS A 15 21.312 -9.350 -18.384 1.00 23.24 H new ATOM 0 HE3 LYS A 15 22.748 -9.255 -17.384 1.00 23.24 H new ATOM 0 HZ1 LYS A 15 23.378 -10.273 -19.399 1.00 20.23 H new ATOM 0 HZ2 LYS A 15 23.336 -11.525 -18.252 1.00 20.23 H new ATOM 0 HZ3 LYS A 15 22.070 -11.356 -19.371 1.00 20.23 H new ATOM 191 N TRP A 16 15.852 -11.429 -16.427 1.00 15.12 N ATOM 192 CA TRP A 16 14.675 -12.244 -16.148 1.00 20.31 C ATOM 193 C TRP A 16 14.101 -12.828 -17.434 1.00 63.32 C ATOM 194 O TRP A 16 13.924 -14.040 -17.551 1.00 3.44 O ATOM 195 CB TRP A 16 13.610 -11.412 -15.432 1.00 40.31 C ATOM 196 CG TRP A 16 12.319 -12.146 -15.231 1.00 14.30 C ATOM 197 CD1 TRP A 16 11.208 -12.083 -16.024 1.00 45.31 C ATOM 198 CD2 TRP A 16 12.005 -13.050 -14.167 1.00 32.54 C ATOM 199 NE1 TRP A 16 10.222 -12.895 -15.517 1.00 45.33 N ATOM 200 CE2 TRP A 16 10.686 -13.500 -14.378 1.00 61.11 C ATOM 201 CE3 TRP A 16 12.708 -13.527 -13.057 1.00 51.14 C ATOM 202 CZ2 TRP A 16 10.060 -14.401 -13.521 1.00 50.32 C ATOM 203 CZ3 TRP A 16 12.085 -14.420 -12.207 1.00 54.43 C ATOM 204 CH2 TRP A 16 10.772 -14.850 -12.442 1.00 65.01 C ATOM 0 H TRP A 16 15.799 -10.476 -16.068 1.00 15.12 H new ATOM 0 HA TRP A 16 14.979 -13.066 -15.500 1.00 20.31 H new ATOM 0 HB2 TRP A 16 13.996 -11.098 -14.462 1.00 40.31 H new ATOM 0 HB3 TRP A 16 13.419 -10.506 -16.008 1.00 40.31 H new ATOM 0 HD1 TRP A 16 11.118 -11.483 -16.918 1.00 45.31 H new ATOM 0 HE1 TRP A 16 9.295 -13.026 -15.922 1.00 45.33 H new ATOM 0 HE3 TRP A 16 13.721 -13.203 -12.867 1.00 51.14 H new ATOM 0 HZ2 TRP A 16 9.048 -14.734 -13.701 1.00 50.32 H new ATOM 0 HZ3 TRP A 16 12.619 -14.794 -11.346 1.00 54.43 H new ATOM 0 HH2 TRP A 16 10.313 -15.549 -11.758 1.00 65.01 H new ATOM 215 N GLU A 17 13.812 -11.959 -18.398 1.00 54.34 N ATOM 216 CA GLU A 17 13.257 -12.390 -19.674 1.00 62.14 C ATOM 217 C GLU A 17 14.203 -13.358 -20.379 1.00 43.21 C ATOM 218 O GLU A 17 13.777 -14.181 -21.190 1.00 22.43 O ATOM 219 CB GLU A 17 12.986 -11.181 -20.573 1.00 20.41 C ATOM 220 CG GLU A 17 11.696 -10.451 -20.237 1.00 30.02 C ATOM 221 CD GLU A 17 11.084 -9.765 -21.443 1.00 51.14 C ATOM 222 OE1 GLU A 17 11.424 -8.590 -21.693 1.00 71.41 O1- ATOM 223 OE2 GLU A 17 10.264 -10.404 -22.136 1.00 15.33 O ATOM 0 H GLU A 17 13.954 -10.952 -18.318 1.00 54.34 H new ATOM 0 HA GLU A 17 12.317 -12.905 -19.476 1.00 62.14 H new ATOM 0 HB2 GLU A 17 13.820 -10.484 -20.492 1.00 20.41 H new ATOM 0 HB3 GLU A 17 12.947 -11.512 -21.611 1.00 20.41 H new ATOM 0 HG2 GLU A 17 10.979 -11.160 -19.824 1.00 30.02 H new ATOM 0 HG3 GLU A 17 11.893 -9.709 -19.463 1.00 30.02 H new ATOM 230 N LYS A 18 15.490 -13.253 -20.064 1.00 23.44 N ATOM 231 CA LYS A 18 16.498 -14.119 -20.665 1.00 21.10 C ATOM 232 C LYS A 18 16.468 -15.507 -20.034 1.00 1.25 C ATOM 233 O LYS A 18 16.457 -16.519 -20.736 1.00 73.13 O ATOM 234 CB LYS A 18 17.890 -13.504 -20.505 1.00 35.13 C ATOM 235 CG LYS A 18 18.984 -14.284 -21.210 1.00 65.22 C ATOM 236 CD LYS A 18 19.896 -14.988 -20.218 1.00 31.24 C ATOM 237 CE LYS A 18 21.203 -14.233 -20.029 1.00 20.54 C ATOM 238 NZ LYS A 18 21.977 -14.748 -18.867 1.00 22.35 N1+ ATOM 0 H LYS A 18 15.860 -12.577 -19.396 1.00 23.44 H new ATOM 0 HA LYS A 18 16.271 -14.217 -21.727 1.00 21.10 H new ATOM 0 HB2 LYS A 18 17.875 -12.485 -20.892 1.00 35.13 H new ATOM 0 HB3 LYS A 18 18.129 -13.438 -19.444 1.00 35.13 H new ATOM 0 HG2 LYS A 18 18.535 -15.019 -21.878 1.00 65.22 H new ATOM 0 HG3 LYS A 18 19.573 -13.608 -21.830 1.00 65.22 H new ATOM 0 HD2 LYS A 18 19.387 -15.083 -19.259 1.00 31.24 H new ATOM 0 HD3 LYS A 18 20.106 -15.998 -20.569 1.00 31.24 H new ATOM 0 HE2 LYS A 18 21.806 -14.318 -20.933 1.00 20.54 H new ATOM 0 HE3 LYS A 18 20.993 -13.173 -19.885 1.00 20.54 H new ATOM 0 HZ1 LYS A 18 22.159 -13.972 -18.200 1.00 22.35 H new ATOM 0 HZ2 LYS A 18 21.432 -15.494 -18.390 1.00 22.35 H new ATOM 0 HZ3 LYS A 18 22.882 -15.139 -19.198 1.00 22.35 H new ATOM 252 N ILE A 19 16.456 -15.549 -18.706 1.00 61.13 N ATOM 253 CA ILE A 19 16.425 -16.813 -17.982 1.00 41.51 C ATOM 254 C ILE A 19 15.297 -17.707 -18.483 1.00 3.20 C ATOM 255 O ILE A 19 14.213 -17.229 -18.817 1.00 52.50 O ATOM 256 CB ILE A 19 16.254 -16.590 -16.466 1.00 64.44 C ATOM 257 CG1 ILE A 19 17.397 -15.731 -15.923 1.00 12.35 C ATOM 258 CG2 ILE A 19 16.193 -17.925 -15.739 1.00 42.43 C ATOM 259 CD1 ILE A 19 16.943 -14.666 -14.949 1.00 21.15 C ATOM 0 H ILE A 19 16.467 -14.722 -18.110 1.00 61.13 H new ATOM 0 HA ILE A 19 17.381 -17.303 -18.164 1.00 41.51 H new ATOM 0 HB ILE A 19 15.316 -16.062 -16.294 1.00 64.44 H new ATOM 0 HG12 ILE A 19 18.123 -16.377 -15.430 1.00 12.35 H new ATOM 0 HG13 ILE A 19 17.910 -15.253 -16.758 1.00 12.35 H new ATOM 0 HG21 ILE A 19 16.072 -17.752 -14.670 1.00 42.43 H new ATOM 0 HG22 ILE A 19 15.347 -18.503 -16.111 1.00 42.43 H new ATOM 0 HG23 ILE A 19 17.116 -18.478 -15.915 1.00 42.43 H new ATOM 0 HD11 ILE A 19 17.806 -14.096 -14.605 1.00 21.15 H new ATOM 0 HD12 ILE A 19 16.239 -13.997 -15.444 1.00 21.15 H new ATOM 0 HD13 ILE A 19 16.456 -15.137 -14.095 1.00 21.15 H new ATOM 271 N ARG A 20 15.559 -19.010 -18.533 1.00 40.42 N ATOM 272 CA ARG A 20 14.565 -19.971 -18.994 1.00 0.33 C ATOM 273 C ARG A 20 14.067 -20.834 -17.838 1.00 21.25 C ATOM 274 O ARG A 20 14.789 -21.067 -16.867 1.00 75.23 O ATOM 275 CB ARG A 20 15.155 -20.860 -20.091 1.00 2.31 C ATOM 276 CG ARG A 20 16.543 -21.389 -19.765 1.00 62.34 C ATOM 277 CD ARG A 20 17.627 -20.538 -20.408 1.00 63.11 C ATOM 278 NE ARG A 20 18.953 -21.130 -20.250 1.00 22.54 N ATOM 279 CZ ARG A 20 19.998 -20.802 -21.001 1.00 43.42 C ATOM 280 NH1 ARG A 20 19.873 -19.891 -21.957 1.00 15.13 N1+ ATOM 281 NH2 ARG A 20 21.173 -21.386 -20.797 1.00 73.43 N ATOM 0 H ARG A 20 16.451 -19.423 -18.260 1.00 40.42 H new ATOM 0 HA ARG A 20 13.720 -19.416 -19.401 1.00 0.33 H new ATOM 0 HB2 ARG A 20 14.485 -21.703 -20.263 1.00 2.31 H new ATOM 0 HB3 ARG A 20 15.200 -20.293 -21.021 1.00 2.31 H new ATOM 0 HG2 ARG A 20 16.684 -21.404 -18.684 1.00 62.34 H new ATOM 0 HG3 ARG A 20 16.633 -22.418 -20.112 1.00 62.34 H new ATOM 0 HD2 ARG A 20 17.409 -20.414 -21.469 1.00 63.11 H new ATOM 0 HD3 ARG A 20 17.619 -19.543 -19.963 1.00 63.11 H new ATOM 0 HE ARG A 20 19.083 -21.834 -19.523 1.00 22.54 H new ATOM 0 HH11 ARG A 20 18.972 -19.440 -22.117 1.00 15.13 H new ATOM 0 HH12 ARG A 20 20.678 -19.641 -22.532 1.00 15.13 H new ATOM 0 HH21 ARG A 20 21.273 -22.087 -20.063 1.00 73.43 H new ATOM 0 HH22 ARG A 20 21.975 -21.133 -21.374 1.00 73.43 H new ATOM 295 N LEU A 21 12.830 -21.306 -17.949 1.00 71.23 N ATOM 296 CA LEU A 21 12.234 -22.142 -16.913 1.00 63.32 C ATOM 297 C LEU A 21 13.002 -23.452 -16.764 1.00 13.45 C ATOM 298 O LEU A 21 13.243 -23.918 -15.650 1.00 53.20 O ATOM 299 CB LEU A 21 10.769 -22.432 -17.244 1.00 55.35 C ATOM 300 CG LEU A 21 9.908 -21.217 -17.594 1.00 23.15 C ATOM 301 CD1 LEU A 21 8.838 -21.596 -18.606 1.00 62.21 C ATOM 302 CD2 LEU A 21 9.275 -20.633 -16.340 1.00 42.35 C ATOM 0 H LEU A 21 12.220 -21.124 -18.746 1.00 71.23 H new ATOM 0 HA LEU A 21 12.286 -21.601 -15.968 1.00 63.32 H new ATOM 0 HB2 LEU A 21 10.737 -23.128 -18.082 1.00 55.35 H new ATOM 0 HB3 LEU A 21 10.318 -22.939 -16.391 1.00 55.35 H new ATOM 0 HG LEU A 21 10.549 -20.457 -18.041 1.00 23.15 H new ATOM 0 HD11 LEU A 21 8.235 -20.720 -18.843 1.00 62.21 H new ATOM 0 HD12 LEU A 21 9.312 -21.967 -19.515 1.00 62.21 H new ATOM 0 HD13 LEU A 21 8.199 -22.373 -18.186 1.00 62.21 H new ATOM 0 HD21 LEU A 21 8.666 -19.770 -16.608 1.00 42.35 H new ATOM 0 HD22 LEU A 21 8.647 -21.386 -15.865 1.00 42.35 H new ATOM 0 HD23 LEU A 21 10.058 -20.324 -15.647 1.00 42.35 H new ATOM 314 N ARG A 22 13.385 -24.040 -17.892 1.00 13.35 N ATOM 315 CA ARG A 22 14.127 -25.295 -17.886 1.00 33.45 C ATOM 316 C ARG A 22 15.435 -25.157 -18.657 1.00 3.54 C ATOM 317 O ARG A 22 15.555 -24.362 -19.589 1.00 71.40 O ATOM 318 CB ARG A 22 13.280 -26.415 -18.494 1.00 70.44 C ATOM 319 CG ARG A 22 12.142 -26.876 -17.596 1.00 44.32 C ATOM 320 CD ARG A 22 11.313 -27.962 -18.262 1.00 1.31 C ATOM 321 NE ARG A 22 11.388 -29.229 -17.538 1.00 43.01 N ATOM 322 CZ ARG A 22 10.760 -29.458 -16.390 1.00 31.32 C ATOM 323 NH1 ARG A 22 10.012 -28.511 -15.840 1.00 5.24 N1+ ATOM 324 NH2 ARG A 22 10.877 -30.636 -15.792 1.00 3.04 N ATOM 0 H ARG A 22 13.194 -23.668 -18.822 1.00 13.35 H new ATOM 0 HA ARG A 22 14.360 -25.545 -16.851 1.00 33.45 H new ATOM 0 HB2 ARG A 22 12.867 -26.072 -19.443 1.00 70.44 H new ATOM 0 HB3 ARG A 22 13.924 -27.266 -18.716 1.00 70.44 H new ATOM 0 HG2 ARG A 22 12.547 -27.251 -16.656 1.00 44.32 H new ATOM 0 HG3 ARG A 22 11.503 -26.027 -17.351 1.00 44.32 H new ATOM 0 HD2 ARG A 22 10.274 -27.639 -18.322 1.00 1.31 H new ATOM 0 HD3 ARG A 22 11.661 -28.108 -19.285 1.00 1.31 H new ATOM 0 HE ARG A 22 11.954 -29.979 -17.936 1.00 43.01 H new ATOM 0 HH11 ARG A 22 9.918 -27.605 -16.299 1.00 5.24 H new ATOM 0 HH12 ARG A 22 9.531 -28.689 -14.959 1.00 5.24 H new ATOM 0 HH21 ARG A 22 11.450 -31.367 -16.214 1.00 3.04 H new ATOM 0 HH22 ARG A 22 10.394 -30.811 -14.911 1.00 3.04 H new ATOM 338 N PRO A 23 16.443 -25.949 -18.259 1.00 12.30 N ATOM 339 CA PRO A 23 17.762 -25.934 -18.898 1.00 42.05 C ATOM 340 C PRO A 23 17.730 -26.516 -20.308 1.00 13.43 C ATOM 341 O PRO A 23 18.472 -26.082 -21.186 1.00 62.31 O ATOM 342 CB PRO A 23 18.613 -26.810 -17.977 1.00 44.14 C ATOM 343 CG PRO A 23 17.639 -27.716 -17.308 1.00 31.53 C ATOM 344 CD PRO A 23 16.372 -26.920 -17.155 1.00 34.45 C ATOM 0 HA PRO A 23 18.145 -24.921 -19.018 1.00 42.05 H new ATOM 0 HB2 PRO A 23 19.355 -27.374 -18.542 1.00 44.14 H new ATOM 0 HB3 PRO A 23 19.157 -26.208 -17.250 1.00 44.14 H new ATOM 0 HG2 PRO A 23 17.467 -28.613 -17.903 1.00 31.53 H new ATOM 0 HG3 PRO A 23 18.013 -28.044 -16.338 1.00 31.53 H new ATOM 0 HD2 PRO A 23 15.488 -27.553 -17.233 1.00 34.45 H new ATOM 0 HD3 PRO A 23 16.324 -26.424 -16.186 1.00 34.45 H new ATOM 352 N GLY A 24 16.863 -27.503 -20.515 1.00 62.41 N ATOM 353 CA GLY A 24 16.750 -28.129 -21.820 1.00 4.44 C ATOM 354 C GLY A 24 15.440 -27.802 -22.508 1.00 22.54 C ATOM 355 O GLY A 24 14.982 -28.547 -23.374 1.00 25.02 O ATOM 0 H GLY A 24 16.237 -27.880 -19.803 1.00 62.41 H new ATOM 0 HA2 GLY A 24 17.578 -27.803 -22.449 1.00 4.44 H new ATOM 0 HA3 GLY A 24 16.839 -29.210 -21.710 1.00 4.44 H new ATOM 359 N GLY A 25 14.832 -26.684 -22.122 1.00 11.45 N ATOM 360 CA GLY A 25 13.571 -26.282 -22.717 1.00 12.41 C ATOM 361 C GLY A 25 13.758 -25.334 -23.884 1.00 34.30 C ATOM 362 O GLY A 25 14.885 -25.051 -24.291 1.00 44.34 O ATOM 0 H GLY A 25 15.190 -26.050 -21.408 1.00 11.45 H new ATOM 0 HA2 GLY A 25 13.033 -27.168 -23.055 1.00 12.41 H new ATOM 0 HA3 GLY A 25 12.951 -25.803 -21.959 1.00 12.41 H new ATOM 366 N LYS A 26 12.649 -24.842 -24.428 1.00 44.23 N ATOM 367 CA LYS A 26 12.695 -23.920 -25.557 1.00 32.14 C ATOM 368 C LYS A 26 11.869 -22.671 -25.272 1.00 53.14 C ATOM 369 O LYS A 26 11.380 -22.012 -26.191 1.00 3.42 O ATOM 370 CB LYS A 26 12.179 -24.608 -26.824 1.00 54.35 C ATOM 371 CG LYS A 26 12.816 -24.087 -28.100 1.00 40.51 C ATOM 372 CD LYS A 26 13.712 -25.133 -28.742 1.00 2.25 C ATOM 373 CE LYS A 26 12.943 -25.998 -29.727 1.00 72.23 C ATOM 374 NZ LYS A 26 13.838 -26.602 -30.753 1.00 32.43 N1+ ATOM 0 H LYS A 26 11.708 -25.067 -24.105 1.00 44.23 H new ATOM 0 HA LYS A 26 13.732 -23.621 -25.709 1.00 32.14 H new ATOM 0 HB2 LYS A 26 12.364 -25.679 -26.747 1.00 54.35 H new ATOM 0 HB3 LYS A 26 11.099 -24.474 -26.886 1.00 54.35 H new ATOM 0 HG2 LYS A 26 12.037 -23.793 -28.803 1.00 40.51 H new ATOM 0 HG3 LYS A 26 13.399 -23.193 -27.878 1.00 40.51 H new ATOM 0 HD2 LYS A 26 14.537 -24.640 -29.256 1.00 2.25 H new ATOM 0 HD3 LYS A 26 14.150 -25.763 -27.968 1.00 2.25 H new ATOM 0 HE2 LYS A 26 12.424 -26.790 -29.187 1.00 72.23 H new ATOM 0 HE3 LYS A 26 12.180 -25.396 -30.220 1.00 72.23 H new ATOM 0 HZ1 LYS A 26 13.275 -27.184 -31.405 1.00 32.43 H new ATOM 0 HZ2 LYS A 26 14.314 -25.847 -31.286 1.00 32.43 H new ATOM 0 HZ3 LYS A 26 14.551 -27.197 -30.285 1.00 32.43 H new ATOM 388 N LYS A 27 11.716 -22.347 -23.992 1.00 53.41 N ATOM 389 CA LYS A 27 10.952 -21.173 -23.585 1.00 30.02 C ATOM 390 C LYS A 27 11.760 -20.301 -22.629 1.00 24.42 C ATOM 391 O LYS A 27 12.825 -20.703 -22.160 1.00 22.12 O ATOM 392 CB LYS A 27 9.641 -21.600 -22.919 1.00 74.03 C ATOM 393 CG LYS A 27 8.531 -21.911 -23.906 1.00 75.41 C ATOM 394 CD LYS A 27 7.605 -22.997 -23.381 1.00 64.24 C ATOM 395 CE LYS A 27 6.231 -22.918 -24.026 1.00 70.45 C ATOM 396 NZ LYS A 27 5.139 -23.074 -23.026 1.00 12.45 N1+ ATOM 0 H LYS A 27 12.111 -22.881 -23.218 1.00 53.41 H new ATOM 0 HA LYS A 27 10.727 -20.589 -24.477 1.00 30.02 H new ATOM 0 HB2 LYS A 27 9.826 -22.481 -22.304 1.00 74.03 H new ATOM 0 HB3 LYS A 27 9.308 -20.807 -22.249 1.00 74.03 H new ATOM 0 HG2 LYS A 27 7.956 -21.007 -24.105 1.00 75.41 H new ATOM 0 HG3 LYS A 27 8.965 -22.228 -24.854 1.00 75.41 H new ATOM 0 HD2 LYS A 27 8.044 -23.976 -23.576 1.00 64.24 H new ATOM 0 HD3 LYS A 27 7.506 -22.901 -22.300 1.00 64.24 H new ATOM 0 HE2 LYS A 27 6.123 -21.960 -24.535 1.00 70.45 H new ATOM 0 HE3 LYS A 27 6.141 -23.694 -24.786 1.00 70.45 H new ATOM 0 HZ1 LYS A 27 4.218 -23.014 -23.505 1.00 12.45 H new ATOM 0 HZ2 LYS A 27 5.226 -23.999 -22.558 1.00 12.45 H new ATOM 0 HZ3 LYS A 27 5.209 -22.318 -22.315 1.00 12.45 H new ATOM 410 N GLN A 28 11.246 -19.110 -22.345 1.00 11.45 N ATOM 411 CA GLN A 28 11.921 -18.183 -21.444 1.00 2.42 C ATOM 412 C GLN A 28 10.977 -17.708 -20.344 1.00 74.11 C ATOM 413 O GLN A 28 9.817 -18.117 -20.288 1.00 52.22 O ATOM 414 CB GLN A 28 12.460 -16.983 -22.223 1.00 54.12 C ATOM 415 CG GLN A 28 11.470 -16.416 -23.228 1.00 33.21 C ATOM 416 CD GLN A 28 10.247 -15.812 -22.566 1.00 44.52 C ATOM 417 OE1 GLN A 28 9.282 -16.513 -22.262 1.00 41.22 O ATOM 418 NE2 GLN A 28 10.282 -14.503 -22.340 1.00 23.15 N ATOM 0 H GLN A 28 10.365 -18.764 -22.725 1.00 11.45 H new ATOM 0 HA GLN A 28 12.755 -18.710 -20.980 1.00 2.42 H new ATOM 0 HB2 GLN A 28 12.740 -16.199 -21.519 1.00 54.12 H new ATOM 0 HB3 GLN A 28 13.368 -17.279 -22.748 1.00 54.12 H new ATOM 0 HG2 GLN A 28 11.966 -15.655 -23.830 1.00 33.21 H new ATOM 0 HG3 GLN A 28 11.156 -17.207 -23.909 1.00 33.21 H new ATOM 0 HE21 GLN A 28 11.103 -13.961 -22.609 1.00 23.15 H new ATOM 0 HE22 GLN A 28 9.488 -14.040 -21.898 1.00 23.15 H new ATOM 427 N TYR A 29 11.481 -16.844 -19.470 1.00 43.42 N ATOM 428 CA TYR A 29 10.684 -16.315 -18.370 1.00 4.44 C ATOM 429 C TYR A 29 9.981 -15.024 -18.777 1.00 63.04 C ATOM 430 O TYR A 29 10.482 -14.265 -19.608 1.00 62.42 O ATOM 431 CB TYR A 29 11.568 -16.064 -17.147 1.00 32.01 C ATOM 432 CG TYR A 29 11.568 -17.205 -16.155 1.00 50.24 C ATOM 433 CD1 TYR A 29 10.509 -17.385 -15.274 1.00 74.01 C ATOM 434 CD2 TYR A 29 12.627 -18.102 -16.098 1.00 31.53 C ATOM 435 CE1 TYR A 29 10.505 -18.425 -14.365 1.00 24.04 C ATOM 436 CE2 TYR A 29 12.630 -19.146 -15.195 1.00 3.44 C ATOM 437 CZ TYR A 29 11.567 -19.304 -14.330 1.00 2.14 C ATOM 438 OH TYR A 29 11.568 -20.343 -13.427 1.00 53.02 O ATOM 0 H TYR A 29 12.439 -16.495 -19.502 1.00 43.42 H new ATOM 0 HA TYR A 29 9.925 -17.055 -18.116 1.00 4.44 H new ATOM 0 HB2 TYR A 29 12.590 -15.883 -17.479 1.00 32.01 H new ATOM 0 HB3 TYR A 29 11.230 -15.157 -16.645 1.00 32.01 H new ATOM 0 HD1 TYR A 29 9.674 -16.700 -15.300 1.00 74.01 H new ATOM 0 HD2 TYR A 29 13.462 -17.981 -16.772 1.00 31.53 H new ATOM 0 HE1 TYR A 29 9.675 -18.549 -13.685 1.00 24.04 H new ATOM 0 HE2 TYR A 29 13.460 -19.836 -15.166 1.00 3.44 H new ATOM 0 HH TYR A 29 10.645 -20.617 -13.243 1.00 53.02 H new ATOM 448 N LYS A 30 8.817 -14.780 -18.186 1.00 23.41 N ATOM 449 CA LYS A 30 8.043 -13.580 -18.484 1.00 4.11 C ATOM 450 C LYS A 30 7.252 -13.126 -17.262 1.00 33.12 C ATOM 451 O LYS A 30 7.113 -13.868 -16.289 1.00 33.52 O ATOM 452 CB LYS A 30 7.092 -13.840 -19.654 1.00 32.44 C ATOM 453 CG LYS A 30 7.070 -12.721 -20.680 1.00 31.21 C ATOM 454 CD LYS A 30 6.861 -13.257 -22.086 1.00 23.11 C ATOM 455 CE LYS A 30 5.442 -13.007 -22.574 1.00 12.35 C ATOM 456 NZ LYS A 30 4.867 -14.206 -23.243 1.00 63.40 N1+ ATOM 0 H LYS A 30 8.388 -15.398 -17.497 1.00 23.41 H new ATOM 0 HA LYS A 30 8.739 -12.787 -18.759 1.00 4.11 H new ATOM 0 HB2 LYS A 30 7.381 -14.768 -20.147 1.00 32.44 H new ATOM 0 HB3 LYS A 30 6.084 -13.986 -19.266 1.00 32.44 H new ATOM 0 HG2 LYS A 30 6.274 -12.018 -20.436 1.00 31.21 H new ATOM 0 HG3 LYS A 30 8.008 -12.168 -20.636 1.00 31.21 H new ATOM 0 HD2 LYS A 30 7.569 -12.783 -22.766 1.00 23.11 H new ATOM 0 HD3 LYS A 30 7.069 -14.327 -22.103 1.00 23.11 H new ATOM 0 HE2 LYS A 30 4.812 -12.725 -21.730 1.00 12.35 H new ATOM 0 HE3 LYS A 30 5.439 -12.167 -23.269 1.00 12.35 H new ATOM 0 HZ1 LYS A 30 3.900 -13.995 -23.561 1.00 63.40 H new ATOM 0 HZ2 LYS A 30 5.454 -14.461 -24.063 1.00 63.40 H new ATOM 0 HZ3 LYS A 30 4.846 -15.001 -22.573 1.00 63.40 H new ATOM 470 N LEU A 31 6.735 -11.904 -17.319 1.00 53.11 N ATOM 471 CA LEU A 31 5.955 -11.351 -16.216 1.00 73.31 C ATOM 472 C LEU A 31 4.828 -12.299 -15.817 1.00 52.24 C ATOM 473 O LEU A 31 4.410 -12.331 -14.660 1.00 3.43 O ATOM 474 CB LEU A 31 5.377 -9.989 -16.607 1.00 23.05 C ATOM 475 CG LEU A 31 6.231 -8.771 -16.253 1.00 31.44 C ATOM 476 CD1 LEU A 31 5.965 -7.633 -17.225 1.00 73.30 C ATOM 477 CD2 LEU A 31 5.959 -8.329 -14.822 1.00 60.45 C ATOM 0 H LEU A 31 6.841 -11.277 -18.116 1.00 53.11 H new ATOM 0 HA LEU A 31 6.619 -11.225 -15.361 1.00 73.31 H new ATOM 0 HB2 LEU A 31 5.203 -9.986 -17.683 1.00 23.05 H new ATOM 0 HB3 LEU A 31 4.405 -9.878 -16.127 1.00 23.05 H new ATOM 0 HG LEU A 31 7.282 -9.050 -16.333 1.00 31.44 H new ATOM 0 HD11 LEU A 31 6.581 -6.775 -16.958 1.00 73.30 H new ATOM 0 HD12 LEU A 31 6.210 -7.954 -18.237 1.00 73.30 H new ATOM 0 HD13 LEU A 31 4.913 -7.353 -17.178 1.00 73.30 H new ATOM 0 HD21 LEU A 31 6.575 -7.461 -14.586 1.00 60.45 H new ATOM 0 HD22 LEU A 31 4.906 -8.067 -14.716 1.00 60.45 H new ATOM 0 HD23 LEU A 31 6.201 -9.142 -14.138 1.00 60.45 H new ATOM 489 N LYS A 32 4.341 -13.071 -16.783 1.00 44.10 N ATOM 490 CA LYS A 32 3.266 -14.023 -16.533 1.00 73.31 C ATOM 491 C LYS A 32 3.599 -14.922 -15.347 1.00 12.33 C ATOM 492 O LYS A 32 2.708 -15.370 -14.624 1.00 43.10 O ATOM 493 CB LYS A 32 3.013 -14.877 -17.778 1.00 11.42 C ATOM 494 CG LYS A 32 1.818 -15.805 -17.645 1.00 62.10 C ATOM 495 CD LYS A 32 0.632 -15.304 -18.451 1.00 33.53 C ATOM 496 CE LYS A 32 -0.670 -15.934 -17.976 1.00 53.33 C ATOM 497 NZ LYS A 32 -1.278 -16.805 -19.018 1.00 72.52 N1+ ATOM 0 H LYS A 32 4.674 -13.056 -17.747 1.00 44.10 H new ATOM 0 HA LYS A 32 2.364 -13.459 -16.297 1.00 73.31 H new ATOM 0 HB2 LYS A 32 2.859 -14.220 -18.634 1.00 11.42 H new ATOM 0 HB3 LYS A 32 3.902 -15.471 -17.988 1.00 11.42 H new ATOM 0 HG2 LYS A 32 2.093 -16.804 -17.983 1.00 62.10 H new ATOM 0 HG3 LYS A 32 1.536 -15.889 -16.595 1.00 62.10 H new ATOM 0 HD2 LYS A 32 0.565 -14.219 -18.366 1.00 33.53 H new ATOM 0 HD3 LYS A 32 0.785 -15.532 -19.506 1.00 33.53 H new ATOM 0 HE2 LYS A 32 -0.482 -16.521 -17.077 1.00 53.33 H new ATOM 0 HE3 LYS A 32 -1.375 -15.149 -17.703 1.00 53.33 H new ATOM 0 HZ1 LYS A 32 -2.162 -17.215 -18.655 1.00 72.52 H new ATOM 0 HZ2 LYS A 32 -1.481 -16.240 -19.867 1.00 72.52 H new ATOM 0 HZ3 LYS A 32 -0.616 -17.570 -19.261 1.00 72.52 H new ATOM 511 N HIS A 33 4.888 -15.181 -15.149 1.00 62.34 N ATOM 512 CA HIS A 33 5.341 -16.025 -14.048 1.00 54.04 C ATOM 513 C HIS A 33 5.474 -15.213 -12.762 1.00 23.20 C ATOM 514 O HIS A 33 5.250 -15.795 -11.701 1.00 34.02 O ATOM 515 CB HIS A 33 6.679 -16.677 -14.393 1.00 62.35 C ATOM 516 CG HIS A 33 6.694 -17.338 -15.738 1.00 21.23 C ATOM 517 ND1 HIS A 33 7.621 -17.039 -16.714 1.00 31.33 N ATOM 518 CD2 HIS A 33 5.888 -18.288 -16.266 1.00 4.04 C ATOM 519 CE1 HIS A 33 7.384 -17.777 -17.784 1.00 51.23 C ATOM 520 NE2 HIS A 33 6.338 -18.545 -17.538 1.00 53.34 N ATOM 0 H HIS A 33 5.638 -14.818 -15.737 1.00 62.34 H new ATOM 0 HA HIS A 33 4.596 -16.805 -13.891 1.00 54.04 H new ATOM 0 HB2 HIS A 33 7.462 -15.919 -14.361 1.00 62.35 H new ATOM 0 HB3 HIS A 33 6.920 -17.418 -13.631 1.00 62.35 H new ATOM 0 HD2 HIS A 33 5.047 -18.757 -15.778 1.00 4.04 H new ATOM 0 HE1 HIS A 33 7.950 -17.756 -18.704 1.00 51.23 H new ATOM 0 HE2 HIS A 33 5.931 -19.219 -18.187 1.00 53.34 H new ATOM 528 N ILE A 34 5.819 -13.931 -12.828 1.00 14.54 N ATOM 529 CA ILE A 34 5.958 -13.117 -11.626 1.00 31.43 C ATOM 530 C ILE A 34 4.597 -12.803 -11.015 1.00 75.40 C ATOM 531 O ILE A 34 4.446 -12.768 -9.793 1.00 71.31 O ATOM 532 CB ILE A 34 6.691 -11.796 -11.923 1.00 45.12 C ATOM 533 CG1 ILE A 34 8.050 -12.076 -12.570 1.00 20.34 C ATOM 534 CG2 ILE A 34 6.864 -10.987 -10.646 1.00 70.12 C ATOM 535 CD1 ILE A 34 8.711 -10.844 -13.147 1.00 75.53 C ATOM 0 H ILE A 34 6.007 -13.435 -13.699 1.00 14.54 H new ATOM 0 HA ILE A 34 6.547 -13.699 -10.917 1.00 31.43 H new ATOM 0 HB ILE A 34 6.090 -11.213 -12.621 1.00 45.12 H new ATOM 0 HG12 ILE A 34 8.713 -12.519 -11.827 1.00 20.34 H new ATOM 0 HG13 ILE A 34 7.921 -12.814 -13.362 1.00 20.34 H new ATOM 0 HG21 ILE A 34 7.384 -10.056 -10.873 1.00 70.12 H new ATOM 0 HG22 ILE A 34 5.885 -10.762 -10.222 1.00 70.12 H new ATOM 0 HG23 ILE A 34 7.447 -11.562 -9.927 1.00 70.12 H new ATOM 0 HD11 ILE A 34 9.669 -11.118 -13.588 1.00 75.53 H new ATOM 0 HD12 ILE A 34 8.068 -10.412 -13.914 1.00 75.53 H new ATOM 0 HD13 ILE A 34 8.872 -10.113 -12.355 1.00 75.53 H new ATOM 547 N VAL A 35 3.607 -12.577 -11.873 1.00 34.01 N ATOM 548 CA VAL A 35 2.257 -12.268 -11.418 1.00 73.21 C ATOM 549 C VAL A 35 1.568 -13.509 -10.859 1.00 61.31 C ATOM 550 O VAL A 35 0.845 -13.435 -9.866 1.00 31.23 O ATOM 551 CB VAL A 35 1.399 -11.689 -12.558 1.00 54.15 C ATOM 552 CG1 VAL A 35 -0.013 -11.399 -12.071 1.00 41.32 C ATOM 553 CG2 VAL A 35 2.045 -10.433 -13.124 1.00 71.54 C ATOM 0 H VAL A 35 3.715 -12.602 -12.887 1.00 34.01 H new ATOM 0 HA VAL A 35 2.352 -11.522 -10.629 1.00 73.21 H new ATOM 0 HB VAL A 35 1.337 -12.430 -13.355 1.00 54.15 H new ATOM 0 HG11 VAL A 35 -0.604 -10.990 -12.891 1.00 41.32 H new ATOM 0 HG12 VAL A 35 -0.473 -12.322 -11.717 1.00 41.32 H new ATOM 0 HG13 VAL A 35 0.025 -10.677 -11.256 1.00 41.32 H new ATOM 0 HG21 VAL A 35 1.426 -10.036 -13.929 1.00 71.54 H new ATOM 0 HG22 VAL A 35 2.139 -9.685 -12.336 1.00 71.54 H new ATOM 0 HG23 VAL A 35 3.034 -10.676 -13.513 1.00 71.54 H new ATOM 563 N TRP A 36 1.798 -14.647 -11.503 1.00 65.42 N ATOM 564 CA TRP A 36 1.201 -15.905 -11.071 1.00 54.33 C ATOM 565 C TRP A 36 1.607 -16.236 -9.639 1.00 11.23 C ATOM 566 O TRP A 36 0.758 -16.521 -8.793 1.00 50.34 O ATOM 567 CB TRP A 36 1.617 -17.040 -12.007 1.00 53.20 C ATOM 568 CG TRP A 36 1.110 -18.383 -11.574 1.00 60.52 C ATOM 569 CD1 TRP A 36 -0.156 -18.871 -11.732 1.00 13.20 C ATOM 570 CD2 TRP A 36 1.858 -19.408 -10.912 1.00 60.02 C ATOM 571 NE1 TRP A 36 -0.240 -20.138 -11.207 1.00 2.04 N ATOM 572 CE2 TRP A 36 0.982 -20.491 -10.698 1.00 70.14 C ATOM 573 CE3 TRP A 36 3.182 -19.518 -10.480 1.00 10.01 C ATOM 574 CZ2 TRP A 36 1.391 -21.665 -10.072 1.00 34.52 C ATOM 575 CZ3 TRP A 36 3.586 -20.684 -9.857 1.00 73.33 C ATOM 576 CH2 TRP A 36 2.692 -21.746 -9.658 1.00 51.14 C ATOM 0 H TRP A 36 2.394 -14.725 -12.327 1.00 65.42 H new ATOM 0 HA TRP A 36 0.117 -15.795 -11.106 1.00 54.33 H new ATOM 0 HB2 TRP A 36 1.249 -16.827 -13.011 1.00 53.20 H new ATOM 0 HB3 TRP A 36 2.705 -17.072 -12.066 1.00 53.20 H new ATOM 0 HD1 TRP A 36 -0.971 -18.339 -12.201 1.00 13.20 H new ATOM 0 HE1 TRP A 36 -1.077 -20.721 -11.198 1.00 2.04 H new ATOM 0 HE3 TRP A 36 3.878 -18.706 -10.630 1.00 10.01 H new ATOM 0 HZ2 TRP A 36 0.704 -22.484 -9.918 1.00 34.52 H new ATOM 0 HZ3 TRP A 36 4.607 -20.779 -9.518 1.00 73.33 H new ATOM 0 HH2 TRP A 36 3.037 -22.645 -9.169 1.00 51.14 H new ATOM 587 N ALA A 37 2.908 -16.196 -9.373 1.00 42.10 N ATOM 588 CA ALA A 37 3.425 -16.490 -8.042 1.00 4.04 C ATOM 589 C ALA A 37 2.860 -15.523 -7.007 1.00 23.14 C ATOM 590 O ALA A 37 2.721 -15.867 -5.834 1.00 32.23 O ATOM 591 CB ALA A 37 4.946 -16.435 -8.043 1.00 10.54 C ATOM 0 H ALA A 37 3.624 -15.963 -10.061 1.00 42.10 H new ATOM 0 HA ALA A 37 3.108 -17.497 -7.771 1.00 4.04 H new ATOM 0 HB1 ALA A 37 5.319 -16.656 -7.043 1.00 10.54 H new ATOM 0 HB2 ALA A 37 5.336 -17.170 -8.747 1.00 10.54 H new ATOM 0 HB3 ALA A 37 5.274 -15.439 -8.340 1.00 10.54 H new ATOM 597 N SER A 38 2.536 -14.313 -7.451 1.00 11.20 N ATOM 598 CA SER A 38 1.989 -13.294 -6.561 1.00 5.20 C ATOM 599 C SER A 38 0.617 -13.708 -6.039 1.00 4.21 C ATOM 600 O SER A 38 0.319 -13.554 -4.855 1.00 71.43 O ATOM 601 CB SER A 38 1.888 -11.952 -7.290 1.00 3.04 C ATOM 602 OG SER A 38 3.129 -11.591 -7.868 1.00 41.42 O ATOM 0 H SER A 38 2.642 -14.014 -8.420 1.00 11.20 H new ATOM 0 HA SER A 38 2.664 -13.188 -5.711 1.00 5.20 H new ATOM 0 HB2 SER A 38 1.126 -12.013 -8.067 1.00 3.04 H new ATOM 0 HB3 SER A 38 1.570 -11.178 -6.591 1.00 3.04 H new ATOM 0 HG SER A 38 3.249 -12.074 -8.712 1.00 41.42 H new ATOM 608 N ARG A 39 -0.214 -14.235 -6.932 1.00 62.20 N ATOM 609 CA ARG A 39 -1.555 -14.671 -6.564 1.00 74.43 C ATOM 610 C ARG A 39 -1.499 -15.910 -5.676 1.00 35.31 C ATOM 611 O ARG A 39 -2.193 -15.990 -4.662 1.00 71.31 O ATOM 612 CB ARG A 39 -2.382 -14.965 -7.817 1.00 65.52 C ATOM 613 CG ARG A 39 -3.253 -13.801 -8.260 1.00 53.34 C ATOM 614 CD ARG A 39 -4.681 -14.246 -8.532 1.00 71.50 C ATOM 615 NE ARG A 39 -5.292 -14.875 -7.364 1.00 52.53 N ATOM 616 CZ ARG A 39 -6.585 -15.167 -7.277 1.00 3.12 C ATOM 617 NH1 ARG A 39 -7.399 -14.892 -8.286 1.00 43.21 N1+ ATOM 618 NH2 ARG A 39 -7.065 -15.739 -6.180 1.00 50.23 N ATOM 0 H ARG A 39 0.018 -14.370 -7.916 1.00 62.20 H new ATOM 0 HA ARG A 39 -2.031 -13.865 -6.005 1.00 74.43 H new ATOM 0 HB2 ARG A 39 -1.709 -15.234 -8.631 1.00 65.52 H new ATOM 0 HB3 ARG A 39 -3.016 -15.831 -7.628 1.00 65.52 H new ATOM 0 HG2 ARG A 39 -3.252 -13.030 -7.489 1.00 53.34 H new ATOM 0 HG3 ARG A 39 -2.833 -13.353 -9.160 1.00 53.34 H new ATOM 0 HD2 ARG A 39 -5.278 -13.385 -8.833 1.00 71.50 H new ATOM 0 HD3 ARG A 39 -4.689 -14.947 -9.367 1.00 71.50 H new ATOM 0 HE ARG A 39 -4.692 -15.103 -6.571 1.00 52.53 H new ATOM 0 HH11 ARG A 39 -7.033 -14.455 -9.132 1.00 43.21 H new ATOM 0 HH12 ARG A 39 -8.391 -15.117 -8.217 1.00 43.21 H new ATOM 0 HH21 ARG A 39 -6.441 -15.955 -5.403 1.00 50.23 H new ATOM 0 HH22 ARG A 39 -8.058 -15.963 -6.114 1.00 50.23 H new ATOM 632 N GLU A 40 -0.670 -16.873 -6.064 1.00 34.22 N ATOM 633 CA GLU A 40 -0.526 -18.109 -5.303 1.00 55.33 C ATOM 634 C GLU A 40 0.147 -17.845 -3.959 1.00 64.24 C ATOM 635 O GLU A 40 -0.048 -18.589 -2.997 1.00 42.35 O ATOM 636 CB GLU A 40 0.284 -19.133 -6.100 1.00 20.12 C ATOM 637 CG GLU A 40 -0.313 -20.530 -6.082 1.00 52.11 C ATOM 638 CD GLU A 40 -1.688 -20.585 -6.718 1.00 61.22 C ATOM 639 OE1 GLU A 40 -1.774 -20.444 -7.957 1.00 11.50 O ATOM 640 OE2 GLU A 40 -2.678 -20.768 -5.979 1.00 60.44 O1- ATOM 0 H GLU A 40 -0.088 -16.822 -6.900 1.00 34.22 H new ATOM 0 HA GLU A 40 -1.522 -18.510 -5.118 1.00 55.33 H new ATOM 0 HB2 GLU A 40 0.365 -18.795 -7.133 1.00 20.12 H new ATOM 0 HB3 GLU A 40 1.296 -19.175 -5.698 1.00 20.12 H new ATOM 0 HG2 GLU A 40 0.354 -21.213 -6.608 1.00 52.11 H new ATOM 0 HG3 GLU A 40 -0.379 -20.880 -5.052 1.00 52.11 H new ATOM 647 N LEU A 41 0.942 -16.781 -3.902 1.00 12.22 N ATOM 648 CA LEU A 41 1.646 -16.418 -2.677 1.00 21.33 C ATOM 649 C LEU A 41 0.667 -15.945 -1.606 1.00 64.20 C ATOM 650 O LEU A 41 0.634 -16.486 -0.501 1.00 72.14 O ATOM 651 CB LEU A 41 2.675 -15.324 -2.962 1.00 45.45 C ATOM 652 CG LEU A 41 4.107 -15.798 -3.210 1.00 42.44 C ATOM 653 CD1 LEU A 41 5.011 -14.619 -3.538 1.00 54.52 C ATOM 654 CD2 LEU A 41 4.635 -16.556 -2.001 1.00 40.50 C ATOM 0 H LEU A 41 1.115 -16.156 -4.689 1.00 12.22 H new ATOM 0 HA LEU A 41 2.161 -17.305 -2.307 1.00 21.33 H new ATOM 0 HB2 LEU A 41 2.344 -14.760 -3.834 1.00 45.45 H new ATOM 0 HB3 LEU A 41 2.683 -14.632 -2.120 1.00 45.45 H new ATOM 0 HG LEU A 41 4.102 -16.475 -4.065 1.00 42.44 H new ATOM 0 HD11 LEU A 41 6.026 -14.976 -3.711 1.00 54.52 H new ATOM 0 HD12 LEU A 41 4.645 -14.118 -4.434 1.00 54.52 H new ATOM 0 HD13 LEU A 41 5.011 -13.917 -2.704 1.00 54.52 H new ATOM 0 HD21 LEU A 41 5.656 -16.886 -2.196 1.00 40.50 H new ATOM 0 HD22 LEU A 41 4.625 -15.902 -1.129 1.00 40.50 H new ATOM 0 HD23 LEU A 41 4.003 -17.424 -1.811 1.00 40.50 H new ATOM 666 N GLU A 42 -0.128 -14.934 -1.943 1.00 41.50 N ATOM 667 CA GLU A 42 -1.107 -14.390 -1.010 1.00 1.25 C ATOM 668 C GLU A 42 -2.026 -15.489 -0.483 1.00 45.15 C ATOM 669 O GLU A 42 -2.559 -15.389 0.621 1.00 34.35 O ATOM 670 CB GLU A 42 -1.938 -13.298 -1.687 1.00 63.11 C ATOM 671 CG GLU A 42 -3.121 -12.830 -0.857 1.00 53.14 C ATOM 672 CD GLU A 42 -2.700 -12.208 0.460 1.00 5.15 C ATOM 673 OE1 GLU A 42 -2.059 -11.137 0.435 1.00 63.35 O1- ATOM 674 OE2 GLU A 42 -3.010 -12.795 1.519 1.00 61.14 O ATOM 0 H GLU A 42 -0.113 -14.476 -2.854 1.00 41.50 H new ATOM 0 HA GLU A 42 -0.566 -13.957 -0.168 1.00 1.25 H new ATOM 0 HB2 GLU A 42 -1.295 -12.444 -1.901 1.00 63.11 H new ATOM 0 HB3 GLU A 42 -2.302 -13.671 -2.644 1.00 63.11 H new ATOM 0 HG2 GLU A 42 -3.697 -12.103 -1.430 1.00 53.14 H new ATOM 0 HG3 GLU A 42 -3.780 -13.676 -0.661 1.00 53.14 H new ATOM 681 N ARG A 43 -2.203 -16.537 -1.282 1.00 73.11 N ATOM 682 CA ARG A 43 -3.058 -17.653 -0.897 1.00 2.01 C ATOM 683 C ARG A 43 -2.458 -18.417 0.279 1.00 3.54 C ATOM 684 O ARG A 43 -3.180 -19.007 1.084 1.00 52.32 O ATOM 685 CB ARG A 43 -3.261 -18.599 -2.082 1.00 21.30 C ATOM 686 CG ARG A 43 -4.690 -19.099 -2.224 1.00 24.12 C ATOM 687 CD ARG A 43 -5.492 -18.230 -3.181 1.00 3.23 C ATOM 688 NE ARG A 43 -5.830 -16.938 -2.592 1.00 70.20 N ATOM 689 CZ ARG A 43 -6.803 -16.766 -1.704 1.00 52.23 C ATOM 690 NH1 ARG A 43 -7.529 -17.801 -1.303 1.00 43.54 N1+ ATOM 691 NH2 ARG A 43 -7.050 -15.557 -1.214 1.00 23.24 N ATOM 0 H ARG A 43 -1.766 -16.636 -2.198 1.00 73.11 H new ATOM 0 HA ARG A 43 -4.024 -17.250 -0.592 1.00 2.01 H new ATOM 0 HB2 ARG A 43 -2.972 -18.086 -2.999 1.00 21.30 H new ATOM 0 HB3 ARG A 43 -2.595 -19.455 -1.971 1.00 21.30 H new ATOM 0 HG2 ARG A 43 -4.683 -20.128 -2.584 1.00 24.12 H new ATOM 0 HG3 ARG A 43 -5.173 -19.107 -1.247 1.00 24.12 H new ATOM 0 HD2 ARG A 43 -4.919 -18.073 -4.095 1.00 3.23 H new ATOM 0 HD3 ARG A 43 -6.407 -18.750 -3.463 1.00 3.23 H new ATOM 0 HE ARG A 43 -5.289 -16.122 -2.878 1.00 70.20 H new ATOM 0 HH11 ARG A 43 -7.341 -18.731 -1.676 1.00 43.54 H new ATOM 0 HH12 ARG A 43 -8.276 -17.667 -0.621 1.00 43.54 H new ATOM 0 HH21 ARG A 43 -6.492 -14.759 -1.519 1.00 23.24 H new ATOM 0 HH22 ARG A 43 -7.797 -15.426 -0.532 1.00 23.24 H new ATOM 705 N PHE A 44 -1.132 -18.403 0.373 1.00 32.34 N ATOM 706 CA PHE A 44 -0.434 -19.096 1.449 1.00 14.11 C ATOM 707 C PHE A 44 -0.111 -18.138 2.592 1.00 3.43 C ATOM 708 O PHE A 44 0.861 -18.331 3.322 1.00 43.32 O ATOM 709 CB PHE A 44 0.854 -19.734 0.924 1.00 14.21 C ATOM 710 CG PHE A 44 0.632 -20.666 -0.233 1.00 4.23 C ATOM 711 CD1 PHE A 44 -0.326 -21.665 -0.162 1.00 55.24 C ATOM 712 CD2 PHE A 44 1.383 -20.545 -1.391 1.00 14.21 C ATOM 713 CE1 PHE A 44 -0.533 -22.524 -1.224 1.00 62.11 C ATOM 714 CE2 PHE A 44 1.180 -21.401 -2.457 1.00 41.34 C ATOM 715 CZ PHE A 44 0.222 -22.392 -2.373 1.00 41.34 C ATOM 0 H PHE A 44 -0.520 -17.919 -0.284 1.00 32.34 H new ATOM 0 HA PHE A 44 -1.090 -19.880 1.828 1.00 14.11 H new ATOM 0 HB2 PHE A 44 1.542 -18.946 0.619 1.00 14.21 H new ATOM 0 HB3 PHE A 44 1.335 -20.281 1.734 1.00 14.21 H new ATOM 0 HD1 PHE A 44 -0.918 -21.773 0.735 1.00 55.24 H new ATOM 0 HD2 PHE A 44 2.135 -19.773 -1.461 1.00 14.21 H new ATOM 0 HE1 PHE A 44 -1.284 -23.297 -1.156 1.00 62.11 H new ATOM 0 HE2 PHE A 44 1.770 -21.295 -3.355 1.00 41.34 H new ATOM 0 HZ PHE A 44 0.063 -23.063 -3.204 1.00 41.34 H new ATOM 725 N ALA A 45 -0.934 -17.105 2.742 1.00 62.13 N ATOM 726 CA ALA A 45 -0.737 -16.118 3.796 1.00 72.31 C ATOM 727 C ALA A 45 0.573 -15.360 3.601 1.00 31.42 C ATOM 728 O ALA A 45 1.116 -14.788 4.545 1.00 2.24 O ATOM 729 CB ALA A 45 -0.763 -16.790 5.160 1.00 24.12 C ATOM 0 H ALA A 45 -1.744 -16.930 2.147 1.00 62.13 H new ATOM 0 HA ALA A 45 -1.554 -15.398 3.743 1.00 72.31 H new ATOM 0 HB1 ALA A 45 -0.615 -16.041 5.938 1.00 24.12 H new ATOM 0 HB2 ALA A 45 -1.726 -17.279 5.306 1.00 24.12 H new ATOM 0 HB3 ALA A 45 0.033 -17.533 5.215 1.00 24.12 H new ATOM 735 N VAL A 46 1.074 -15.362 2.371 1.00 65.42 N ATOM 736 CA VAL A 46 2.320 -14.675 2.053 1.00 45.05 C ATOM 737 C VAL A 46 2.090 -13.566 1.032 1.00 43.42 C ATOM 738 O VAL A 46 1.725 -13.827 -0.112 1.00 25.51 O ATOM 739 CB VAL A 46 3.376 -15.653 1.502 1.00 14.31 C ATOM 740 CG1 VAL A 46 4.653 -14.911 1.138 1.00 0.31 C ATOM 741 CG2 VAL A 46 3.659 -16.754 2.512 1.00 32.35 C ATOM 0 H VAL A 46 0.637 -15.831 1.578 1.00 65.42 H new ATOM 0 HA VAL A 46 2.688 -14.240 2.982 1.00 45.05 H new ATOM 0 HB VAL A 46 2.982 -16.114 0.596 1.00 14.31 H new ATOM 0 HG11 VAL A 46 5.387 -15.618 0.751 1.00 0.31 H new ATOM 0 HG12 VAL A 46 4.434 -14.162 0.377 1.00 0.31 H new ATOM 0 HG13 VAL A 46 5.054 -14.421 2.025 1.00 0.31 H new ATOM 0 HG21 VAL A 46 4.407 -17.436 2.107 1.00 32.35 H new ATOM 0 HG22 VAL A 46 4.033 -16.313 3.436 1.00 32.35 H new ATOM 0 HG23 VAL A 46 2.741 -17.304 2.718 1.00 32.35 H new ATOM 751 N ASN A 47 2.309 -12.325 1.456 1.00 14.31 N ATOM 752 CA ASN A 47 2.126 -11.173 0.580 1.00 30.35 C ATOM 753 C ASN A 47 3.100 -11.224 -0.594 1.00 14.01 C ATOM 754 O ASN A 47 4.240 -11.672 -0.468 1.00 51.04 O ATOM 755 CB ASN A 47 2.320 -9.873 1.363 1.00 20.44 C ATOM 756 CG ASN A 47 1.031 -9.380 1.992 1.00 71.55 C ATOM 757 OD1 ASN A 47 0.703 -9.735 3.124 1.00 60.32 O ATOM 758 ND2 ASN A 47 0.292 -8.557 1.256 1.00 55.22 N ATOM 0 H ASN A 47 2.613 -12.092 2.401 1.00 14.31 H new ATOM 0 HA ASN A 47 1.109 -11.203 0.188 1.00 30.35 H new ATOM 0 HB2 ASN A 47 3.065 -10.029 2.143 1.00 20.44 H new ATOM 0 HB3 ASN A 47 2.713 -9.105 0.696 1.00 20.44 H new ATOM 0 HD21 ASN A 47 -0.586 -8.193 1.625 1.00 55.22 H new ATOM 0 HD22 ASN A 47 0.603 -8.289 0.322 1.00 55.22 H new ATOM 765 N PRO A 48 2.642 -10.752 -1.763 1.00 20.01 N ATOM 766 CA PRO A 48 3.457 -10.731 -2.981 1.00 62.40 C ATOM 767 C PRO A 48 4.589 -9.714 -2.903 1.00 45.04 C ATOM 768 O PRO A 48 5.508 -9.730 -3.722 1.00 43.55 O ATOM 769 CB PRO A 48 2.456 -10.334 -4.070 1.00 10.21 C ATOM 770 CG PRO A 48 1.392 -9.580 -3.351 1.00 1.44 C ATOM 771 CD PRO A 48 1.293 -10.204 -1.986 1.00 42.32 C ATOM 0 HA PRO A 48 3.947 -11.688 -3.161 1.00 62.40 H new ATOM 0 HB2 PRO A 48 2.928 -9.719 -4.836 1.00 10.21 H new ATOM 0 HB3 PRO A 48 2.049 -11.212 -4.572 1.00 10.21 H new ATOM 0 HG2 PRO A 48 1.644 -8.522 -3.279 1.00 1.44 H new ATOM 0 HG3 PRO A 48 0.441 -9.646 -3.880 1.00 1.44 H new ATOM 0 HD2 PRO A 48 1.027 -9.469 -1.226 1.00 42.32 H new ATOM 0 HD3 PRO A 48 0.532 -10.984 -1.955 1.00 42.32 H new ATOM 779 N GLY A 49 4.519 -8.830 -1.913 1.00 14.41 N ATOM 780 CA GLY A 49 5.545 -7.818 -1.746 1.00 23.21 C ATOM 781 C GLY A 49 6.896 -8.414 -1.403 1.00 45.11 C ATOM 782 O GLY A 49 7.923 -7.742 -1.509 1.00 4.21 O ATOM 0 H GLY A 49 3.769 -8.797 -1.223 1.00 14.41 H new ATOM 0 HA2 GLY A 49 5.630 -7.236 -2.664 1.00 23.21 H new ATOM 0 HA3 GLY A 49 5.245 -7.127 -0.958 1.00 23.21 H new ATOM 786 N LEU A 50 6.896 -9.676 -0.991 1.00 3.40 N ATOM 787 CA LEU A 50 8.132 -10.363 -0.630 1.00 54.44 C ATOM 788 C LEU A 50 8.930 -10.739 -1.874 1.00 31.40 C ATOM 789 O LEU A 50 10.147 -10.917 -1.814 1.00 62.21 O ATOM 790 CB LEU A 50 7.822 -11.616 0.191 1.00 23.40 C ATOM 791 CG LEU A 50 6.925 -11.415 1.412 1.00 53.43 C ATOM 792 CD1 LEU A 50 6.749 -12.723 2.167 1.00 31.40 C ATOM 793 CD2 LEU A 50 7.502 -10.343 2.325 1.00 73.11 C ATOM 0 H LEU A 50 6.055 -10.245 -0.898 1.00 3.40 H new ATOM 0 HA LEU A 50 8.734 -9.682 -0.028 1.00 54.44 H new ATOM 0 HB2 LEU A 50 7.350 -12.348 -0.465 1.00 23.40 H new ATOM 0 HB3 LEU A 50 8.765 -12.049 0.525 1.00 23.40 H new ATOM 0 HG LEU A 50 5.945 -11.084 1.069 1.00 53.43 H new ATOM 0 HD11 LEU A 50 6.107 -12.560 3.033 1.00 31.40 H new ATOM 0 HD12 LEU A 50 6.291 -13.463 1.511 1.00 31.40 H new ATOM 0 HD13 LEU A 50 7.722 -13.085 2.499 1.00 31.40 H new ATOM 0 HD21 LEU A 50 6.851 -10.212 3.189 1.00 73.11 H new ATOM 0 HD22 LEU A 50 8.494 -10.646 2.660 1.00 73.11 H new ATOM 0 HD23 LEU A 50 7.575 -9.402 1.780 1.00 73.11 H new ATOM 805 N LEU A 51 8.237 -10.858 -3.001 1.00 71.11 N ATOM 806 CA LEU A 51 8.880 -11.211 -4.261 1.00 24.44 C ATOM 807 C LEU A 51 9.868 -10.131 -4.690 1.00 21.01 C ATOM 808 O LEU A 51 10.811 -10.400 -5.433 1.00 51.13 O ATOM 809 CB LEU A 51 7.829 -11.420 -5.352 1.00 62.23 C ATOM 810 CG LEU A 51 7.071 -12.747 -5.310 1.00 74.03 C ATOM 811 CD1 LEU A 51 5.686 -12.591 -5.919 1.00 34.20 C ATOM 812 CD2 LEU A 51 7.854 -13.833 -6.033 1.00 35.11 C ATOM 0 H LEU A 51 7.229 -10.715 -3.068 1.00 71.11 H new ATOM 0 HA LEU A 51 9.429 -12.141 -4.112 1.00 24.44 H new ATOM 0 HB2 LEU A 51 7.104 -10.609 -5.290 1.00 62.23 H new ATOM 0 HB3 LEU A 51 8.320 -11.336 -6.322 1.00 62.23 H new ATOM 0 HG LEU A 51 6.956 -13.044 -4.267 1.00 74.03 H new ATOM 0 HD11 LEU A 51 5.162 -13.546 -5.880 1.00 34.20 H new ATOM 0 HD12 LEU A 51 5.124 -11.845 -5.357 1.00 34.20 H new ATOM 0 HD13 LEU A 51 5.779 -12.270 -6.957 1.00 34.20 H new ATOM 0 HD21 LEU A 51 7.299 -14.770 -5.993 1.00 35.11 H new ATOM 0 HD22 LEU A 51 8.002 -13.543 -7.073 1.00 35.11 H new ATOM 0 HD23 LEU A 51 8.823 -13.964 -5.552 1.00 35.11 H new ATOM 824 N GLU A 52 9.644 -8.910 -4.215 1.00 62.23 N ATOM 825 CA GLU A 52 10.517 -7.790 -4.549 1.00 32.34 C ATOM 826 C GLU A 52 11.502 -7.512 -3.418 1.00 0.04 C ATOM 827 O GLU A 52 11.994 -6.393 -3.267 1.00 64.11 O ATOM 828 CB GLU A 52 9.686 -6.538 -4.836 1.00 53.35 C ATOM 829 CG GLU A 52 8.908 -6.033 -3.633 1.00 13.43 C ATOM 830 CD GLU A 52 8.500 -4.579 -3.768 1.00 32.20 C ATOM 831 OE1 GLU A 52 7.551 -4.296 -4.529 1.00 4.23 O1- ATOM 832 OE2 GLU A 52 9.131 -3.724 -3.113 1.00 41.43 O ATOM 0 H GLU A 52 8.867 -8.671 -3.599 1.00 62.23 H new ATOM 0 HA GLU A 52 11.083 -8.056 -5.442 1.00 32.34 H new ATOM 0 HB2 GLU A 52 10.347 -5.746 -5.188 1.00 53.35 H new ATOM 0 HB3 GLU A 52 8.988 -6.754 -5.645 1.00 53.35 H new ATOM 0 HG2 GLU A 52 8.016 -6.645 -3.499 1.00 13.43 H new ATOM 0 HG3 GLU A 52 9.515 -6.154 -2.736 1.00 13.43 H new ATOM 839 N THR A 53 11.787 -8.539 -2.622 1.00 61.51 N ATOM 840 CA THR A 53 12.712 -8.407 -1.504 1.00 43.24 C ATOM 841 C THR A 53 13.685 -9.578 -1.454 1.00 22.25 C ATOM 842 O THR A 53 13.274 -10.737 -1.391 1.00 72.40 O ATOM 843 CB THR A 53 11.962 -8.318 -0.162 1.00 21.33 C ATOM 844 OG1 THR A 53 11.440 -9.604 0.192 1.00 72.51 O ATOM 845 CG2 THR A 53 10.827 -7.309 -0.241 1.00 31.13 C ATOM 0 H THR A 53 11.389 -9.472 -2.732 1.00 61.51 H new ATOM 0 HA THR A 53 13.269 -7.483 -1.662 1.00 43.24 H new ATOM 0 HB THR A 53 12.666 -7.988 0.602 1.00 21.33 H new ATOM 0 HG1 THR A 53 10.993 -10.001 -0.585 1.00 72.51 H new ATOM 0 HG21 THR A 53 10.312 -7.264 0.719 1.00 31.13 H new ATOM 0 HG22 THR A 53 11.230 -6.326 -0.483 1.00 31.13 H new ATOM 0 HG23 THR A 53 10.123 -7.613 -1.016 1.00 31.13 H new ATOM 853 N SER A 54 14.978 -9.270 -1.481 1.00 31.23 N ATOM 854 CA SER A 54 16.010 -10.298 -1.441 1.00 23.42 C ATOM 855 C SER A 54 15.866 -11.166 -0.194 1.00 61.02 C ATOM 856 O SER A 54 16.322 -12.308 -0.164 1.00 43.01 O ATOM 857 CB SER A 54 17.400 -9.659 -1.474 1.00 75.40 C ATOM 858 OG SER A 54 17.935 -9.537 -0.168 1.00 41.14 O ATOM 0 H SER A 54 15.335 -8.316 -1.530 1.00 31.23 H new ATOM 0 HA SER A 54 15.889 -10.932 -2.319 1.00 23.42 H new ATOM 0 HB2 SER A 54 18.067 -10.263 -2.089 1.00 75.40 H new ATOM 0 HB3 SER A 54 17.341 -8.675 -1.940 1.00 75.40 H new ATOM 0 HG SER A 54 18.824 -9.128 -0.216 1.00 41.14 H new ATOM 864 N GLU A 55 15.228 -10.612 0.832 1.00 11.32 N ATOM 865 CA GLU A 55 15.024 -11.334 2.083 1.00 1.44 C ATOM 866 C GLU A 55 13.789 -12.226 2.002 1.00 64.12 C ATOM 867 O GLU A 55 13.838 -13.406 2.344 1.00 4.30 O ATOM 868 CB GLU A 55 14.882 -10.352 3.247 1.00 10.31 C ATOM 869 CG GLU A 55 16.212 -9.880 3.812 1.00 53.05 C ATOM 870 CD GLU A 55 16.200 -8.408 4.179 1.00 52.31 C ATOM 871 OE1 GLU A 55 16.471 -7.572 3.292 1.00 0.23 O1- ATOM 872 OE2 GLU A 55 15.919 -8.093 5.354 1.00 41.22 O ATOM 0 H GLU A 55 14.844 -9.667 0.822 1.00 11.32 H new ATOM 0 HA GLU A 55 15.896 -11.965 2.254 1.00 1.44 H new ATOM 0 HB2 GLU A 55 14.311 -9.486 2.913 1.00 10.31 H new ATOM 0 HB3 GLU A 55 14.307 -10.825 4.042 1.00 10.31 H new ATOM 0 HG2 GLU A 55 16.457 -10.469 4.696 1.00 53.05 H new ATOM 0 HG3 GLU A 55 16.999 -10.062 3.080 1.00 53.05 H new ATOM 879 N GLY A 56 12.680 -11.650 1.546 1.00 20.41 N ATOM 880 CA GLY A 56 11.447 -12.406 1.429 1.00 64.51 C ATOM 881 C GLY A 56 11.602 -13.635 0.554 1.00 71.31 C ATOM 882 O GLY A 56 11.229 -14.739 0.951 1.00 34.35 O ATOM 0 H GLY A 56 12.614 -10.674 1.256 1.00 20.41 H new ATOM 0 HA2 GLY A 56 11.115 -12.710 2.422 1.00 64.51 H new ATOM 0 HA3 GLY A 56 10.669 -11.765 1.015 1.00 64.51 H new ATOM 886 N CYS A 57 12.151 -13.443 -0.640 1.00 22.34 N ATOM 887 CA CYS A 57 12.351 -14.545 -1.575 1.00 23.04 C ATOM 888 C CYS A 57 13.091 -15.699 -0.905 1.00 63.04 C ATOM 889 O CYS A 57 12.807 -16.867 -1.169 1.00 25.13 O ATOM 890 CB CYS A 57 13.130 -14.067 -2.801 1.00 2.51 C ATOM 891 SG CYS A 57 12.169 -14.062 -4.332 1.00 21.14 S ATOM 0 H CYS A 57 12.465 -12.536 -0.984 1.00 22.34 H new ATOM 0 HA CYS A 57 11.371 -14.901 -1.893 1.00 23.04 H new ATOM 0 HB2 CYS A 57 13.499 -13.059 -2.613 1.00 2.51 H new ATOM 0 HB3 CYS A 57 14.003 -14.706 -2.935 1.00 2.51 H new ATOM 0 HG CYS A 57 12.471 -15.111 -5.038 1.00 21.14 H new ATOM 897 N ARG A 58 14.041 -15.362 -0.040 1.00 43.30 N ATOM 898 CA ARG A 58 14.825 -16.370 0.666 1.00 61.43 C ATOM 899 C ARG A 58 13.956 -17.135 1.660 1.00 62.13 C ATOM 900 O ARG A 58 14.114 -18.343 1.833 1.00 15.31 O ATOM 901 CB ARG A 58 15.999 -15.715 1.396 1.00 75.11 C ATOM 902 CG ARG A 58 16.838 -16.694 2.200 1.00 60.33 C ATOM 903 CD ARG A 58 17.931 -15.981 2.981 1.00 70.24 C ATOM 904 NE ARG A 58 17.390 -15.206 4.094 1.00 14.40 N ATOM 905 CZ ARG A 58 18.144 -14.528 4.953 1.00 73.24 C ATOM 906 NH1 ARG A 58 19.464 -14.529 4.825 1.00 71.44 N1+ ATOM 907 NH2 ARG A 58 17.578 -13.846 5.941 1.00 23.41 N ATOM 0 H ARG A 58 14.287 -14.399 0.190 1.00 43.30 H new ATOM 0 HA ARG A 58 15.212 -17.075 -0.070 1.00 61.43 H new ATOM 0 HB2 ARG A 58 16.637 -15.216 0.666 1.00 75.11 H new ATOM 0 HB3 ARG A 58 15.616 -14.944 2.064 1.00 75.11 H new ATOM 0 HG2 ARG A 58 16.197 -17.244 2.889 1.00 60.33 H new ATOM 0 HG3 ARG A 58 17.287 -17.426 1.529 1.00 60.33 H new ATOM 0 HD2 ARG A 58 18.642 -16.714 3.361 1.00 70.24 H new ATOM 0 HD3 ARG A 58 18.482 -15.320 2.312 1.00 70.24 H new ATOM 0 HE ARG A 58 16.378 -15.184 4.219 1.00 14.40 H new ATOM 0 HH11 ARG A 58 19.902 -15.051 4.066 1.00 71.44 H new ATOM 0 HH12 ARG A 58 20.041 -14.008 5.485 1.00 71.44 H new ATOM 0 HH21 ARG A 58 16.563 -13.842 6.042 1.00 23.41 H new ATOM 0 HH22 ARG A 58 18.158 -13.326 6.600 1.00 23.41 H new ATOM 921 N GLN A 59 13.042 -16.423 2.309 1.00 74.20 N ATOM 922 CA GLN A 59 12.149 -17.035 3.287 1.00 5.33 C ATOM 923 C GLN A 59 11.113 -17.919 2.600 1.00 50.20 C ATOM 924 O GLN A 59 10.871 -19.050 3.022 1.00 12.21 O ATOM 925 CB GLN A 59 11.449 -15.957 4.115 1.00 13.03 C ATOM 926 CG GLN A 59 10.614 -16.513 5.258 1.00 25.52 C ATOM 927 CD GLN A 59 10.593 -15.598 6.466 1.00 62.30 C ATOM 928 OE1 GLN A 59 10.572 -14.374 6.332 1.00 25.15 O ATOM 929 NE2 GLN A 59 10.600 -16.188 7.655 1.00 14.41 N ATOM 0 H GLN A 59 12.899 -15.422 2.176 1.00 74.20 H new ATOM 0 HA GLN A 59 12.749 -17.658 3.950 1.00 5.33 H new ATOM 0 HB2 GLN A 59 12.199 -15.278 4.521 1.00 13.03 H new ATOM 0 HB3 GLN A 59 10.807 -15.368 3.460 1.00 13.03 H new ATOM 0 HG2 GLN A 59 9.593 -16.674 4.912 1.00 25.52 H new ATOM 0 HG3 GLN A 59 11.009 -17.486 5.551 1.00 25.52 H new ATOM 0 HE21 GLN A 59 10.618 -17.206 7.719 1.00 14.41 H new ATOM 0 HE22 GLN A 59 10.588 -15.624 8.504 1.00 14.41 H new ATOM 938 N ILE A 60 10.506 -17.396 1.541 1.00 71.40 N ATOM 939 CA ILE A 60 9.497 -18.138 0.796 1.00 22.31 C ATOM 940 C ILE A 60 10.025 -19.501 0.362 1.00 32.04 C ATOM 941 O ILE A 60 9.295 -20.493 0.366 1.00 32.53 O ATOM 942 CB ILE A 60 9.031 -17.361 -0.449 1.00 65.30 C ATOM 943 CG1 ILE A 60 8.463 -15.999 -0.046 1.00 14.54 C ATOM 944 CG2 ILE A 60 7.994 -18.165 -1.219 1.00 22.23 C ATOM 945 CD1 ILE A 60 8.388 -15.012 -1.189 1.00 11.03 C ATOM 0 H ILE A 60 10.695 -16.461 1.179 1.00 71.40 H new ATOM 0 HA ILE A 60 8.649 -18.276 1.467 1.00 22.31 H new ATOM 0 HB ILE A 60 9.891 -17.197 -1.098 1.00 65.30 H new ATOM 0 HG12 ILE A 60 7.464 -16.139 0.368 1.00 14.54 H new ATOM 0 HG13 ILE A 60 9.081 -15.577 0.747 1.00 14.54 H new ATOM 0 HG21 ILE A 60 7.675 -17.602 -2.096 1.00 22.23 H new ATOM 0 HG22 ILE A 60 8.430 -19.113 -1.535 1.00 22.23 H new ATOM 0 HG23 ILE A 60 7.133 -18.357 -0.578 1.00 22.23 H new ATOM 0 HD11 ILE A 60 7.976 -14.069 -0.829 1.00 11.03 H new ATOM 0 HD12 ILE A 60 9.388 -14.842 -1.589 1.00 11.03 H new ATOM 0 HD13 ILE A 60 7.746 -15.412 -1.974 1.00 11.03 H new ATOM 957 N LEU A 61 11.300 -19.544 -0.010 1.00 23.03 N ATOM 958 CA LEU A 61 11.928 -20.786 -0.445 1.00 10.24 C ATOM 959 C LEU A 61 12.143 -21.731 0.735 1.00 73.24 C ATOM 960 O LEU A 61 12.199 -22.948 0.567 1.00 73.33 O ATOM 961 CB LEU A 61 13.265 -20.493 -1.127 1.00 41.40 C ATOM 962 CG LEU A 61 13.188 -19.772 -2.473 1.00 22.02 C ATOM 963 CD1 LEU A 61 14.376 -18.839 -2.648 1.00 74.14 C ATOM 964 CD2 LEU A 61 13.126 -20.778 -3.613 1.00 70.43 C ATOM 0 H LEU A 61 11.919 -18.733 -0.019 1.00 23.03 H new ATOM 0 HA LEU A 61 11.261 -21.270 -1.158 1.00 10.24 H new ATOM 0 HB2 LEU A 61 13.872 -19.892 -0.450 1.00 41.40 H new ATOM 0 HB3 LEU A 61 13.790 -21.437 -1.273 1.00 41.40 H new ATOM 0 HG LEU A 61 12.277 -19.174 -2.492 1.00 22.02 H new ATOM 0 HD11 LEU A 61 14.304 -18.335 -3.612 1.00 74.14 H new ATOM 0 HD12 LEU A 61 14.377 -18.097 -1.849 1.00 74.14 H new ATOM 0 HD13 LEU A 61 15.300 -19.415 -2.608 1.00 74.14 H new ATOM 0 HD21 LEU A 61 13.072 -20.248 -4.564 1.00 70.43 H new ATOM 0 HD22 LEU A 61 14.019 -21.402 -3.596 1.00 70.43 H new ATOM 0 HD23 LEU A 61 12.243 -21.406 -3.497 1.00 70.43 H new ATOM 976 N GLY A 62 12.261 -21.159 1.930 1.00 51.34 N ATOM 977 CA GLY A 62 12.466 -21.964 3.120 1.00 75.52 C ATOM 978 C GLY A 62 11.259 -22.817 3.457 1.00 2.12 C ATOM 979 O GLY A 62 11.396 -23.890 4.045 1.00 72.54 O ATOM 0 H GLY A 62 12.218 -20.153 2.095 1.00 51.34 H new ATOM 0 HA2 GLY A 62 13.333 -22.608 2.974 1.00 75.52 H new ATOM 0 HA3 GLY A 62 12.692 -21.311 3.963 1.00 75.52 H new ATOM 983 N GLN A 63 10.076 -22.339 3.086 1.00 13.25 N ATOM 984 CA GLN A 63 8.840 -23.065 3.356 1.00 3.12 C ATOM 985 C GLN A 63 8.577 -24.110 2.277 1.00 21.31 C ATOM 986 O GLN A 63 8.064 -25.194 2.559 1.00 11.22 O ATOM 987 CB GLN A 63 7.661 -22.094 3.442 1.00 64.51 C ATOM 988 CG GLN A 63 7.385 -21.596 4.851 1.00 34.52 C ATOM 989 CD GLN A 63 5.970 -21.895 5.309 1.00 23.11 C ATOM 990 OE1 GLN A 63 5.632 -23.040 5.612 1.00 44.34 O ATOM 991 NE2 GLN A 63 5.134 -20.865 5.361 1.00 42.14 N ATOM 0 H GLN A 63 9.947 -21.453 2.598 1.00 13.25 H new ATOM 0 HA GLN A 63 8.950 -23.576 4.312 1.00 3.12 H new ATOM 0 HB2 GLN A 63 7.857 -21.239 2.795 1.00 64.51 H new ATOM 0 HB3 GLN A 63 6.767 -22.586 3.058 1.00 64.51 H new ATOM 0 HG2 GLN A 63 8.091 -22.058 5.541 1.00 34.52 H new ATOM 0 HG3 GLN A 63 7.557 -20.520 4.892 1.00 34.52 H new ATOM 0 HE21 GLN A 63 5.456 -19.933 5.101 1.00 42.14 H new ATOM 0 HE22 GLN A 63 4.169 -21.006 5.661 1.00 42.14 H new ATOM 1000 N LEU A 64 8.930 -23.778 1.040 1.00 71.52 N ATOM 1001 CA LEU A 64 8.731 -24.687 -0.083 1.00 64.50 C ATOM 1002 C LEU A 64 9.826 -25.748 -0.126 1.00 14.43 C ATOM 1003 O LEU A 64 9.621 -26.844 -0.645 1.00 44.02 O ATOM 1004 CB LEU A 64 8.710 -23.908 -1.399 1.00 75.31 C ATOM 1005 CG LEU A 64 7.743 -22.724 -1.462 1.00 1.53 C ATOM 1006 CD1 LEU A 64 7.956 -21.929 -2.741 1.00 13.13 C ATOM 1007 CD2 LEU A 64 6.302 -23.205 -1.365 1.00 5.50 C ATOM 0 H LEU A 64 9.356 -22.886 0.789 1.00 71.52 H new ATOM 0 HA LEU A 64 7.771 -25.186 0.052 1.00 64.50 H new ATOM 0 HB2 LEU A 64 9.717 -23.540 -1.597 1.00 75.31 H new ATOM 0 HB3 LEU A 64 8.460 -24.599 -2.204 1.00 75.31 H new ATOM 0 HG LEU A 64 7.944 -22.070 -0.613 1.00 1.53 H new ATOM 0 HD11 LEU A 64 7.260 -21.091 -2.769 1.00 13.13 H new ATOM 0 HD12 LEU A 64 8.978 -21.552 -2.769 1.00 13.13 H new ATOM 0 HD13 LEU A 64 7.783 -22.573 -3.603 1.00 13.13 H new ATOM 0 HD21 LEU A 64 5.629 -22.349 -1.412 1.00 5.50 H new ATOM 0 HD22 LEU A 64 6.087 -23.881 -2.193 1.00 5.50 H new ATOM 0 HD23 LEU A 64 6.156 -23.730 -0.421 1.00 5.50 H new ATOM 1019 N GLN A 65 10.988 -25.413 0.427 1.00 1.25 N ATOM 1020 CA GLN A 65 12.115 -26.339 0.454 1.00 13.51 C ATOM 1021 C GLN A 65 11.699 -27.687 1.032 1.00 1.02 C ATOM 1022 O GLN A 65 11.764 -28.722 0.368 1.00 31.20 O ATOM 1023 CB GLN A 65 13.265 -25.752 1.275 1.00 73.34 C ATOM 1024 CG GLN A 65 14.422 -25.247 0.427 1.00 31.13 C ATOM 1025 CD GLN A 65 15.640 -26.146 0.508 1.00 33.15 C ATOM 1026 OE1 GLN A 65 16.378 -26.122 1.494 1.00 22.33 O ATOM 1027 NE2 GLN A 65 15.857 -26.946 -0.529 1.00 30.41 N ATOM 0 H GLN A 65 11.173 -24.509 0.862 1.00 1.25 H new ATOM 0 HA GLN A 65 12.451 -26.492 -0.572 1.00 13.51 H new ATOM 0 HB2 GLN A 65 12.885 -24.931 1.882 1.00 73.34 H new ATOM 0 HB3 GLN A 65 13.634 -26.512 1.963 1.00 73.34 H new ATOM 0 HG2 GLN A 65 14.100 -25.170 -0.612 1.00 31.13 H new ATOM 0 HG3 GLN A 65 14.694 -24.243 0.751 1.00 31.13 H new ATOM 0 HE21 GLN A 65 15.220 -26.933 -1.325 1.00 30.41 H new ATOM 0 HE22 GLN A 65 16.661 -27.574 -0.529 1.00 30.41 H new ATOM 1036 N PRO A 66 11.261 -27.678 2.300 1.00 3.24 N ATOM 1037 CA PRO A 66 10.825 -28.893 2.996 1.00 43.23 C ATOM 1038 C PRO A 66 9.514 -29.438 2.443 1.00 14.12 C ATOM 1039 O PRO A 66 9.158 -30.591 2.686 1.00 25.13 O ATOM 1040 CB PRO A 66 10.644 -28.427 4.443 1.00 44.42 C ATOM 1041 CG PRO A 66 10.372 -26.966 4.339 1.00 35.33 C ATOM 1042 CD PRO A 66 11.158 -26.481 3.152 1.00 33.32 C ATOM 0 HA PRO A 66 11.541 -29.707 2.883 1.00 43.23 H new ATOM 0 HB2 PRO A 66 9.819 -28.950 4.927 1.00 44.42 H new ATOM 0 HB3 PRO A 66 11.537 -28.622 5.036 1.00 44.42 H new ATOM 0 HG2 PRO A 66 9.307 -26.776 4.206 1.00 35.33 H new ATOM 0 HG3 PRO A 66 10.677 -26.447 5.247 1.00 35.33 H new ATOM 0 HD2 PRO A 66 10.649 -25.665 2.639 1.00 33.32 H new ATOM 0 HD3 PRO A 66 12.140 -26.110 3.445 1.00 33.32 H new ATOM 1050 N SER A 67 8.796 -28.602 1.700 1.00 20.21 N ATOM 1051 CA SER A 67 7.521 -28.999 1.116 1.00 21.04 C ATOM 1052 C SER A 67 7.672 -29.286 -0.375 1.00 35.04 C ATOM 1053 O SER A 67 6.717 -29.161 -1.143 1.00 21.11 O ATOM 1054 CB SER A 67 6.473 -27.907 1.333 1.00 14.21 C ATOM 1055 OG SER A 67 6.359 -27.576 2.707 1.00 64.54 O ATOM 0 H SER A 67 9.076 -27.644 1.488 1.00 20.21 H new ATOM 0 HA SER A 67 7.191 -29.912 1.613 1.00 21.04 H new ATOM 0 HB2 SER A 67 6.745 -27.019 0.763 1.00 14.21 H new ATOM 0 HB3 SER A 67 5.508 -28.245 0.956 1.00 14.21 H new ATOM 0 HG SER A 67 6.880 -26.767 2.893 1.00 64.54 H new ATOM 1061 N LEU A 68 8.878 -29.671 -0.778 1.00 21.21 N ATOM 1062 CA LEU A 68 9.157 -29.975 -2.177 1.00 33.24 C ATOM 1063 C LEU A 68 8.675 -31.378 -2.535 1.00 44.40 C ATOM 1064 O LEU A 68 8.223 -31.622 -3.654 1.00 3.53 O ATOM 1065 CB LEU A 68 10.655 -29.851 -2.459 1.00 12.42 C ATOM 1066 CG LEU A 68 11.116 -28.524 -3.062 1.00 44.11 C ATOM 1067 CD1 LEU A 68 12.633 -28.479 -3.156 1.00 1.12 C ATOM 1068 CD2 LEU A 68 10.489 -28.315 -4.432 1.00 60.43 C ATOM 0 H LEU A 68 9.679 -29.780 -0.155 1.00 21.21 H new ATOM 0 HA LEU A 68 8.618 -29.256 -2.794 1.00 33.24 H new ATOM 0 HB2 LEU A 68 11.195 -30.010 -1.525 1.00 12.42 H new ATOM 0 HB3 LEU A 68 10.945 -30.655 -3.136 1.00 12.42 H new ATOM 0 HG LEU A 68 10.789 -27.716 -2.407 1.00 44.11 H new ATOM 0 HD11 LEU A 68 12.943 -27.527 -3.588 1.00 1.12 H new ATOM 0 HD12 LEU A 68 13.063 -28.583 -2.160 1.00 1.12 H new ATOM 0 HD13 LEU A 68 12.983 -29.295 -3.788 1.00 1.12 H new ATOM 0 HD21 LEU A 68 10.828 -27.366 -4.846 1.00 60.43 H new ATOM 0 HD22 LEU A 68 10.786 -29.127 -5.096 1.00 60.43 H new ATOM 0 HD23 LEU A 68 9.403 -28.302 -4.337 1.00 60.43 H new ATOM 1080 N GLN A 69 8.774 -32.294 -1.577 1.00 63.13 N ATOM 1081 CA GLN A 69 8.347 -33.671 -1.792 1.00 4.05 C ATOM 1082 C GLN A 69 6.829 -33.791 -1.705 1.00 15.43 C ATOM 1083 O GLN A 69 6.201 -34.475 -2.513 1.00 71.41 O ATOM 1084 CB GLN A 69 9.003 -34.597 -0.767 1.00 13.42 C ATOM 1085 CG GLN A 69 9.420 -35.942 -1.339 1.00 31.55 C ATOM 1086 CD GLN A 69 10.913 -36.036 -1.581 1.00 24.44 C ATOM 1087 OE1 GLN A 69 11.421 -35.554 -2.594 1.00 23.10 O ATOM 1088 NE2 GLN A 69 11.626 -36.660 -0.650 1.00 14.13 N ATOM 0 H GLN A 69 9.146 -32.108 -0.646 1.00 63.13 H new ATOM 0 HA GLN A 69 8.660 -33.969 -2.793 1.00 4.05 H new ATOM 0 HB2 GLN A 69 9.880 -34.101 -0.351 1.00 13.42 H new ATOM 0 HB3 GLN A 69 8.309 -34.762 0.057 1.00 13.42 H new ATOM 0 HG2 GLN A 69 9.116 -36.734 -0.654 1.00 31.55 H new ATOM 0 HG3 GLN A 69 8.892 -36.113 -2.277 1.00 31.55 H new ATOM 0 HE21 GLN A 69 11.164 -37.044 0.174 1.00 14.13 H new ATOM 0 HE22 GLN A 69 12.636 -36.755 -0.759 1.00 14.13 H new ATOM 1097 N THR A 70 6.243 -33.122 -0.716 1.00 44.30 N ATOM 1098 CA THR A 70 4.800 -33.154 -0.522 1.00 32.04 C ATOM 1099 C THR A 70 4.128 -31.959 -1.188 1.00 54.21 C ATOM 1100 O THR A 70 3.045 -31.537 -0.783 1.00 24.44 O ATOM 1101 CB THR A 70 4.435 -33.165 0.975 1.00 1.03 C ATOM 1102 OG1 THR A 70 5.369 -33.972 1.701 1.00 74.11 O ATOM 1103 CG2 THR A 70 3.025 -33.700 1.184 1.00 4.42 C ATOM 0 H THR A 70 6.747 -32.551 -0.037 1.00 44.30 H new ATOM 0 HA THR A 70 4.440 -34.073 -0.984 1.00 32.04 H new ATOM 0 HB THR A 70 4.477 -32.140 1.344 1.00 1.03 H new ATOM 0 HG1 THR A 70 5.131 -33.972 2.652 1.00 74.11 H new ATOM 0 HG21 THR A 70 2.789 -33.699 2.248 1.00 4.42 H new ATOM 0 HG22 THR A 70 2.313 -33.067 0.654 1.00 4.42 H new ATOM 0 HG23 THR A 70 2.961 -34.718 0.800 1.00 4.42 H new ATOM 1111 N GLY A 71 4.778 -31.415 -2.212 1.00 43.34 N ATOM 1112 CA GLY A 71 4.228 -30.273 -2.919 1.00 54.41 C ATOM 1113 C GLY A 71 3.586 -30.659 -4.236 1.00 3.20 C ATOM 1114 O GLY A 71 3.990 -31.637 -4.866 1.00 72.51 O ATOM 0 H GLY A 71 5.676 -31.745 -2.565 1.00 43.34 H new ATOM 0 HA2 GLY A 71 3.487 -29.782 -2.288 1.00 54.41 H new ATOM 0 HA3 GLY A 71 5.021 -29.548 -3.104 1.00 54.41 H new ATOM 1118 N SER A 72 2.585 -29.892 -4.653 1.00 13.31 N ATOM 1119 CA SER A 72 1.882 -30.163 -5.901 1.00 45.32 C ATOM 1120 C SER A 72 2.496 -29.372 -7.052 1.00 24.40 C ATOM 1121 O SER A 72 3.498 -28.679 -6.878 1.00 72.14 O ATOM 1122 CB SER A 72 0.399 -29.815 -5.763 1.00 33.42 C ATOM 1123 OG SER A 72 0.228 -28.523 -5.209 1.00 54.32 O ATOM 0 H SER A 72 2.242 -29.077 -4.145 1.00 13.31 H new ATOM 0 HA SER A 72 1.979 -31.226 -6.120 1.00 45.32 H new ATOM 0 HB2 SER A 72 -0.081 -29.861 -6.740 1.00 33.42 H new ATOM 0 HB3 SER A 72 -0.094 -30.553 -5.130 1.00 33.42 H new ATOM 0 HG SER A 72 -0.728 -28.324 -5.133 1.00 54.32 H new ATOM 1129 N GLU A 73 1.887 -29.481 -8.229 1.00 22.35 N ATOM 1130 CA GLU A 73 2.374 -28.778 -9.409 1.00 71.40 C ATOM 1131 C GLU A 73 2.551 -27.290 -9.121 1.00 21.21 C ATOM 1132 O GLU A 73 3.416 -26.634 -9.699 1.00 70.54 O ATOM 1133 CB GLU A 73 1.408 -28.970 -10.581 1.00 14.25 C ATOM 1134 CG GLU A 73 2.054 -29.594 -11.806 1.00 75.52 C ATOM 1135 CD GLU A 73 1.646 -28.904 -13.094 1.00 3.32 C ATOM 1136 OE1 GLU A 73 0.584 -29.259 -13.646 1.00 43.32 O ATOM 1137 OE2 GLU A 73 2.390 -28.011 -13.551 1.00 10.41 O1- ATOM 0 H GLU A 73 1.056 -30.050 -8.390 1.00 22.35 H new ATOM 0 HA GLU A 73 3.344 -29.198 -9.675 1.00 71.40 H new ATOM 0 HB2 GLU A 73 0.579 -29.599 -10.258 1.00 14.25 H new ATOM 0 HB3 GLU A 73 0.987 -28.003 -10.856 1.00 14.25 H new ATOM 0 HG2 GLU A 73 3.138 -29.551 -11.702 1.00 75.52 H new ATOM 0 HG3 GLU A 73 1.780 -30.648 -11.860 1.00 75.52 H new ATOM 1144 N GLU A 74 1.723 -26.764 -8.223 1.00 2.44 N ATOM 1145 CA GLU A 74 1.787 -25.354 -7.859 1.00 13.24 C ATOM 1146 C GLU A 74 3.048 -25.057 -7.053 1.00 10.21 C ATOM 1147 O GLU A 74 3.832 -24.174 -7.407 1.00 15.11 O ATOM 1148 CB GLU A 74 0.548 -24.955 -7.053 1.00 25.12 C ATOM 1149 CG GLU A 74 -0.690 -24.743 -7.908 1.00 51.10 C ATOM 1150 CD GLU A 74 -1.967 -25.141 -7.193 1.00 42.40 C ATOM 1151 OE1 GLU A 74 -2.185 -26.355 -7.002 1.00 31.45 O ATOM 1152 OE2 GLU A 74 -2.747 -24.238 -6.825 1.00 51.32 O1- ATOM 0 H GLU A 74 1.001 -27.293 -7.735 1.00 2.44 H new ATOM 0 HA GLU A 74 1.818 -24.769 -8.778 1.00 13.24 H new ATOM 0 HB2 GLU A 74 0.341 -25.729 -6.314 1.00 25.12 H new ATOM 0 HB3 GLU A 74 0.762 -24.038 -6.504 1.00 25.12 H new ATOM 0 HG2 GLU A 74 -0.752 -23.694 -8.198 1.00 51.10 H new ATOM 0 HG3 GLU A 74 -0.596 -25.322 -8.827 1.00 51.10 H new ATOM 1159 N LEU A 75 3.239 -25.799 -5.969 1.00 13.55 N ATOM 1160 CA LEU A 75 4.404 -25.616 -5.110 1.00 60.13 C ATOM 1161 C LEU A 75 5.695 -25.724 -5.916 1.00 0.43 C ATOM 1162 O LEU A 75 6.583 -24.879 -5.801 1.00 34.10 O ATOM 1163 CB LEU A 75 4.402 -26.653 -3.986 1.00 40.50 C ATOM 1164 CG LEU A 75 5.199 -26.286 -2.733 1.00 42.45 C ATOM 1165 CD1 LEU A 75 4.550 -26.880 -1.494 1.00 32.22 C ATOM 1166 CD2 LEU A 75 6.640 -26.759 -2.860 1.00 44.22 C ATOM 0 H LEU A 75 2.602 -26.534 -5.663 1.00 13.55 H new ATOM 0 HA LEU A 75 4.351 -24.618 -4.674 1.00 60.13 H new ATOM 0 HB2 LEU A 75 3.369 -26.840 -3.693 1.00 40.50 H new ATOM 0 HB3 LEU A 75 4.796 -27.589 -4.382 1.00 40.50 H new ATOM 0 HG LEU A 75 5.201 -25.201 -2.632 1.00 42.45 H new ATOM 0 HD11 LEU A 75 5.131 -26.608 -0.613 1.00 32.22 H new ATOM 0 HD12 LEU A 75 3.536 -26.493 -1.393 1.00 32.22 H new ATOM 0 HD13 LEU A 75 4.517 -27.966 -1.586 1.00 32.22 H new ATOM 0 HD21 LEU A 75 7.192 -26.489 -1.960 1.00 44.22 H new ATOM 0 HD22 LEU A 75 6.658 -27.842 -2.986 1.00 44.22 H new ATOM 0 HD23 LEU A 75 7.104 -26.285 -3.725 1.00 44.22 H new ATOM 1178 N ARG A 76 5.792 -26.769 -6.732 1.00 12.43 N ATOM 1179 CA ARG A 76 6.974 -26.987 -7.557 1.00 31.11 C ATOM 1180 C ARG A 76 7.275 -25.759 -8.411 1.00 10.02 C ATOM 1181 O ARG A 76 8.393 -25.244 -8.402 1.00 13.23 O ATOM 1182 CB ARG A 76 6.776 -28.210 -8.455 1.00 51.12 C ATOM 1183 CG ARG A 76 7.764 -29.332 -8.182 1.00 61.12 C ATOM 1184 CD ARG A 76 7.309 -30.641 -8.810 1.00 11.41 C ATOM 1185 NE ARG A 76 7.811 -31.802 -8.079 1.00 71.43 N ATOM 1186 CZ ARG A 76 7.609 -33.056 -8.466 1.00 25.11 C ATOM 1187 NH1 ARG A 76 6.921 -33.311 -9.570 1.00 62.03 N1+ ATOM 1188 NH2 ARG A 76 8.098 -34.060 -7.747 1.00 60.42 N ATOM 0 H ARG A 76 5.066 -27.478 -6.839 1.00 12.43 H new ATOM 0 HA ARG A 76 7.821 -27.164 -6.895 1.00 31.11 H new ATOM 0 HB2 ARG A 76 5.763 -28.589 -8.321 1.00 51.12 H new ATOM 0 HB3 ARG A 76 6.866 -27.903 -9.497 1.00 51.12 H new ATOM 0 HG2 ARG A 76 8.743 -29.060 -8.576 1.00 61.12 H new ATOM 0 HG3 ARG A 76 7.878 -29.464 -7.106 1.00 61.12 H new ATOM 0 HD2 ARG A 76 6.220 -30.672 -8.835 1.00 11.41 H new ATOM 0 HD3 ARG A 76 7.653 -30.686 -9.843 1.00 11.41 H new ATOM 0 HE ARG A 76 8.345 -31.641 -7.225 1.00 71.43 H new ATOM 0 HH11 ARG A 76 6.545 -32.543 -10.125 1.00 62.03 H new ATOM 0 HH12 ARG A 76 6.768 -34.276 -9.864 1.00 62.03 H new ATOM 0 HH21 ARG A 76 8.629 -33.868 -6.897 1.00 60.42 H new ATOM 0 HH22 ARG A 76 7.943 -35.023 -8.044 1.00 60.42 H new ATOM 1202 N SER A 77 6.270 -25.297 -9.148 1.00 41.42 N ATOM 1203 CA SER A 77 6.428 -24.132 -10.010 1.00 64.43 C ATOM 1204 C SER A 77 6.896 -22.921 -9.209 1.00 32.14 C ATOM 1205 O SER A 77 7.684 -22.107 -9.693 1.00 64.11 O ATOM 1206 CB SER A 77 5.110 -23.811 -10.717 1.00 64.24 C ATOM 1207 OG SER A 77 5.033 -24.463 -11.973 1.00 34.44 O ATOM 0 H SER A 77 5.338 -25.712 -9.165 1.00 41.42 H new ATOM 0 HA SER A 77 7.186 -24.366 -10.758 1.00 64.43 H new ATOM 0 HB2 SER A 77 4.273 -24.121 -10.091 1.00 64.24 H new ATOM 0 HB3 SER A 77 5.022 -22.734 -10.857 1.00 64.24 H new ATOM 0 HG SER A 77 4.181 -24.243 -12.404 1.00 34.44 H new ATOM 1213 N LEU A 78 6.406 -22.809 -7.979 1.00 74.31 N ATOM 1214 CA LEU A 78 6.772 -21.697 -7.108 1.00 3.45 C ATOM 1215 C LEU A 78 8.269 -21.706 -6.815 1.00 43.32 C ATOM 1216 O LEU A 78 8.970 -20.729 -7.082 1.00 62.41 O ATOM 1217 CB LEU A 78 5.984 -21.769 -5.799 1.00 50.40 C ATOM 1218 CG LEU A 78 4.817 -20.791 -5.664 1.00 12.40 C ATOM 1219 CD1 LEU A 78 5.301 -19.357 -5.818 1.00 30.21 C ATOM 1220 CD2 LEU A 78 3.737 -21.104 -6.689 1.00 14.03 C ATOM 0 H LEU A 78 5.755 -23.474 -7.562 1.00 74.31 H new ATOM 0 HA LEU A 78 6.526 -20.768 -7.622 1.00 3.45 H new ATOM 0 HB2 LEU A 78 5.598 -22.782 -5.686 1.00 50.40 H new ATOM 0 HB3 LEU A 78 6.674 -21.597 -4.973 1.00 50.40 H new ATOM 0 HG LEU A 78 4.388 -20.903 -4.668 1.00 12.40 H new ATOM 0 HD11 LEU A 78 4.456 -18.675 -5.719 1.00 30.21 H new ATOM 0 HD12 LEU A 78 6.038 -19.137 -5.045 1.00 30.21 H new ATOM 0 HD13 LEU A 78 5.756 -19.230 -6.800 1.00 30.21 H new ATOM 0 HD21 LEU A 78 2.914 -20.398 -6.578 1.00 14.03 H new ATOM 0 HD22 LEU A 78 4.153 -21.021 -7.693 1.00 14.03 H new ATOM 0 HD23 LEU A 78 3.369 -22.118 -6.531 1.00 14.03 H new ATOM 1232 N TYR A 79 8.753 -22.815 -6.267 1.00 11.22 N ATOM 1233 CA TYR A 79 10.167 -22.951 -5.938 1.00 74.11 C ATOM 1234 C TYR A 79 11.042 -22.612 -7.141 1.00 34.41 C ATOM 1235 O TYR A 79 12.164 -22.131 -6.991 1.00 24.44 O ATOM 1236 CB TYR A 79 10.466 -24.373 -5.459 1.00 40.45 C ATOM 1237 CG TYR A 79 11.756 -24.489 -4.680 1.00 13.21 C ATOM 1238 CD1 TYR A 79 11.900 -23.876 -3.441 1.00 13.30 C ATOM 1239 CD2 TYR A 79 12.832 -25.211 -5.181 1.00 33.35 C ATOM 1240 CE1 TYR A 79 13.076 -23.980 -2.724 1.00 43.53 C ATOM 1241 CE2 TYR A 79 14.011 -25.322 -4.471 1.00 45.51 C ATOM 1242 CZ TYR A 79 14.129 -24.704 -3.244 1.00 44.30 C ATOM 1243 OH TYR A 79 15.304 -24.810 -2.535 1.00 13.42 O ATOM 0 H TYR A 79 8.187 -23.633 -6.041 1.00 11.22 H new ATOM 0 HA TYR A 79 10.397 -22.249 -5.136 1.00 74.11 H new ATOM 0 HB2 TYR A 79 9.642 -24.718 -4.835 1.00 40.45 H new ATOM 0 HB3 TYR A 79 10.512 -25.037 -6.323 1.00 40.45 H new ATOM 0 HD1 TYR A 79 11.078 -23.308 -3.031 1.00 13.30 H new ATOM 0 HD2 TYR A 79 12.745 -25.694 -6.143 1.00 33.35 H new ATOM 0 HE1 TYR A 79 13.171 -23.498 -1.762 1.00 43.53 H new ATOM 0 HE2 TYR A 79 14.836 -25.890 -4.875 1.00 45.51 H new ATOM 0 HH TYR A 79 15.943 -25.354 -3.041 1.00 13.42 H new ATOM 1253 N ASN A 80 10.517 -22.867 -8.336 1.00 62.10 N ATOM 1254 CA ASN A 80 11.248 -22.590 -9.567 1.00 54.42 C ATOM 1255 C ASN A 80 11.308 -21.090 -9.838 1.00 40.53 C ATOM 1256 O ASN A 80 12.389 -20.512 -9.959 1.00 72.24 O ATOM 1257 CB ASN A 80 10.591 -23.307 -10.748 1.00 52.22 C ATOM 1258 CG ASN A 80 11.064 -24.741 -10.889 1.00 51.14 C ATOM 1259 OD1 ASN A 80 11.467 -25.170 -11.970 1.00 74.12 O ATOM 1260 ND2 ASN A 80 11.018 -25.490 -9.793 1.00 33.42 N ATOM 0 H ASN A 80 9.588 -23.265 -8.477 1.00 62.10 H new ATOM 0 HA ASN A 80 12.266 -22.961 -9.447 1.00 54.42 H new ATOM 0 HB2 ASN A 80 9.509 -23.295 -10.620 1.00 52.22 H new ATOM 0 HB3 ASN A 80 10.809 -22.763 -11.667 1.00 52.22 H new ATOM 0 HD21 ASN A 80 11.324 -26.462 -9.827 1.00 33.42 H new ATOM 0 HD22 ASN A 80 10.676 -25.093 -8.918 1.00 33.42 H new ATOM 1267 N THR A 81 10.139 -20.463 -9.931 1.00 2.21 N ATOM 1268 CA THR A 81 10.057 -19.032 -10.189 1.00 53.52 C ATOM 1269 C THR A 81 10.757 -18.235 -9.093 1.00 10.20 C ATOM 1270 O THR A 81 11.627 -17.409 -9.371 1.00 40.02 O ATOM 1271 CB THR A 81 8.594 -18.562 -10.293 1.00 60.43 C ATOM 1272 OG1 THR A 81 7.892 -19.360 -11.253 1.00 72.15 O ATOM 1273 CG2 THR A 81 8.523 -17.096 -10.695 1.00 64.43 C ATOM 0 H THR A 81 9.235 -20.925 -9.831 1.00 2.21 H new ATOM 0 HA THR A 81 10.557 -18.854 -11.141 1.00 53.52 H new ATOM 0 HB THR A 81 8.128 -18.676 -9.314 1.00 60.43 H new ATOM 0 HG1 THR A 81 7.687 -20.235 -10.863 1.00 72.15 H new ATOM 0 HG21 THR A 81 7.480 -16.787 -10.762 1.00 64.43 H new ATOM 0 HG22 THR A 81 9.034 -16.489 -9.948 1.00 64.43 H new ATOM 0 HG23 THR A 81 9.004 -16.961 -11.664 1.00 64.43 H new ATOM 1281 N ILE A 82 10.373 -18.489 -7.847 1.00 14.13 N ATOM 1282 CA ILE A 82 10.965 -17.796 -6.709 1.00 22.24 C ATOM 1283 C ILE A 82 12.485 -17.919 -6.721 1.00 1.21 C ATOM 1284 O ILE A 82 13.192 -17.052 -6.209 1.00 25.10 O ATOM 1285 CB ILE A 82 10.428 -18.345 -5.373 1.00 65.11 C ATOM 1286 CG1 ILE A 82 8.905 -18.204 -5.315 1.00 25.25 C ATOM 1287 CG2 ILE A 82 11.077 -17.620 -4.204 1.00 34.03 C ATOM 1288 CD1 ILE A 82 8.256 -19.088 -4.273 1.00 42.32 C ATOM 0 H ILE A 82 9.655 -19.169 -7.599 1.00 14.13 H new ATOM 0 HA ILE A 82 10.686 -16.746 -6.799 1.00 22.24 H new ATOM 0 HB ILE A 82 10.680 -19.403 -5.304 1.00 65.11 H new ATOM 0 HG12 ILE A 82 8.652 -17.164 -5.106 1.00 25.25 H new ATOM 0 HG13 ILE A 82 8.488 -18.443 -6.293 1.00 25.25 H new ATOM 0 HG21 ILE A 82 10.688 -18.019 -3.267 1.00 34.03 H new ATOM 0 HG22 ILE A 82 12.157 -17.766 -4.240 1.00 34.03 H new ATOM 0 HG23 ILE A 82 10.852 -16.555 -4.266 1.00 34.03 H new ATOM 0 HD11 ILE A 82 7.177 -18.936 -4.288 1.00 42.32 H new ATOM 0 HD12 ILE A 82 8.478 -20.132 -4.492 1.00 42.32 H new ATOM 0 HD13 ILE A 82 8.645 -18.834 -3.287 1.00 42.32 H new ATOM 1300 N ALA A 83 12.980 -19.003 -7.310 1.00 45.12 N ATOM 1301 CA ALA A 83 14.417 -19.237 -7.393 1.00 62.30 C ATOM 1302 C ALA A 83 15.076 -18.269 -8.370 1.00 22.32 C ATOM 1303 O ALA A 83 15.949 -17.489 -7.992 1.00 51.01 O ATOM 1304 CB ALA A 83 14.693 -20.675 -7.805 1.00 24.25 C ATOM 0 H ALA A 83 12.408 -19.732 -7.736 1.00 45.12 H new ATOM 0 HA ALA A 83 14.846 -19.064 -6.406 1.00 62.30 H new ATOM 0 HB1 ALA A 83 15.769 -20.837 -7.863 1.00 24.25 H new ATOM 0 HB2 ALA A 83 14.264 -21.353 -7.068 1.00 24.25 H new ATOM 0 HB3 ALA A 83 14.244 -20.867 -8.780 1.00 24.25 H new ATOM 1310 N VAL A 84 14.653 -18.327 -9.629 1.00 10.02 N ATOM 1311 CA VAL A 84 15.203 -17.455 -10.661 1.00 54.10 C ATOM 1312 C VAL A 84 15.160 -15.995 -10.225 1.00 43.31 C ATOM 1313 O VAL A 84 16.078 -15.223 -10.511 1.00 22.43 O ATOM 1314 CB VAL A 84 14.437 -17.606 -11.989 1.00 52.32 C ATOM 1315 CG1 VAL A 84 15.006 -16.668 -13.043 1.00 2.34 C ATOM 1316 CG2 VAL A 84 14.479 -19.048 -12.468 1.00 1.22 C ATOM 0 H VAL A 84 13.932 -18.968 -9.959 1.00 10.02 H new ATOM 0 HA VAL A 84 16.240 -17.756 -10.812 1.00 54.10 H new ATOM 0 HB VAL A 84 13.395 -17.335 -11.820 1.00 52.32 H new ATOM 0 HG11 VAL A 84 14.453 -16.789 -13.974 1.00 2.34 H new ATOM 0 HG12 VAL A 84 14.917 -15.638 -12.699 1.00 2.34 H new ATOM 0 HG13 VAL A 84 16.056 -16.905 -13.212 1.00 2.34 H new ATOM 0 HG21 VAL A 84 13.933 -19.135 -13.407 1.00 1.22 H new ATOM 0 HG22 VAL A 84 15.515 -19.350 -12.621 1.00 1.22 H new ATOM 0 HG23 VAL A 84 14.019 -19.694 -11.720 1.00 1.22 H new ATOM 1326 N LEU A 85 14.091 -15.620 -9.531 1.00 22.24 N ATOM 1327 CA LEU A 85 13.929 -14.251 -9.055 1.00 41.41 C ATOM 1328 C LEU A 85 14.907 -13.949 -7.924 1.00 41.31 C ATOM 1329 O LEU A 85 15.631 -12.954 -7.965 1.00 0.12 O ATOM 1330 CB LEU A 85 12.494 -14.023 -8.578 1.00 52.54 C ATOM 1331 CG LEU A 85 12.008 -12.573 -8.583 1.00 63.11 C ATOM 1332 CD1 LEU A 85 11.582 -12.159 -9.984 1.00 53.52 C ATOM 1333 CD2 LEU A 85 10.861 -12.391 -7.600 1.00 21.54 C ATOM 0 H LEU A 85 13.323 -16.245 -9.285 1.00 22.24 H new ATOM 0 HA LEU A 85 14.141 -13.576 -9.884 1.00 41.41 H new ATOM 0 HB2 LEU A 85 11.826 -14.611 -9.206 1.00 52.54 H new ATOM 0 HB3 LEU A 85 12.403 -14.412 -7.564 1.00 52.54 H new ATOM 0 HG LEU A 85 12.833 -11.932 -8.271 1.00 63.11 H new ATOM 0 HD11 LEU A 85 11.239 -11.124 -9.969 1.00 53.52 H new ATOM 0 HD12 LEU A 85 12.429 -12.251 -10.664 1.00 53.52 H new ATOM 0 HD13 LEU A 85 10.772 -12.805 -10.324 1.00 53.52 H new ATOM 0 HD21 LEU A 85 10.528 -11.353 -7.617 1.00 21.54 H new ATOM 0 HD22 LEU A 85 10.034 -13.042 -7.882 1.00 21.54 H new ATOM 0 HD23 LEU A 85 11.198 -12.647 -6.596 1.00 21.54 H new ATOM 1345 N TYR A 86 14.926 -14.815 -6.917 1.00 73.50 N ATOM 1346 CA TYR A 86 15.815 -14.641 -5.774 1.00 60.35 C ATOM 1347 C TYR A 86 17.256 -14.437 -6.232 1.00 21.11 C ATOM 1348 O TYR A 86 17.928 -13.498 -5.803 1.00 34.22 O ATOM 1349 CB TYR A 86 15.730 -15.854 -4.846 1.00 74.24 C ATOM 1350 CG TYR A 86 16.767 -15.848 -3.746 1.00 13.21 C ATOM 1351 CD1 TYR A 86 16.706 -14.923 -2.711 1.00 1.13 C ATOM 1352 CD2 TYR A 86 17.808 -16.769 -3.742 1.00 14.33 C ATOM 1353 CE1 TYR A 86 17.652 -14.914 -1.705 1.00 55.32 C ATOM 1354 CE2 TYR A 86 18.758 -16.768 -2.739 1.00 15.14 C ATOM 1355 CZ TYR A 86 18.675 -15.838 -1.723 1.00 41.31 C ATOM 1356 OH TYR A 86 19.620 -15.833 -0.721 1.00 12.22 O ATOM 0 H TYR A 86 14.335 -15.645 -6.869 1.00 73.50 H new ATOM 0 HA TYR A 86 15.496 -13.752 -5.229 1.00 60.35 H new ATOM 0 HB2 TYR A 86 14.737 -15.889 -4.398 1.00 74.24 H new ATOM 0 HB3 TYR A 86 15.845 -16.762 -5.437 1.00 74.24 H new ATOM 0 HD1 TYR A 86 15.905 -14.199 -2.693 1.00 1.13 H new ATOM 0 HD2 TYR A 86 17.875 -17.498 -4.536 1.00 14.33 H new ATOM 0 HE1 TYR A 86 17.591 -14.187 -0.909 1.00 55.32 H new ATOM 0 HE2 TYR A 86 19.561 -17.491 -2.750 1.00 15.14 H new ATOM 0 HH TYR A 86 20.271 -16.548 -0.881 1.00 12.22 H new ATOM 1366 N CYS A 87 17.723 -15.322 -7.105 1.00 21.51 N ATOM 1367 CA CYS A 87 19.084 -15.241 -7.623 1.00 11.41 C ATOM 1368 C CYS A 87 19.374 -13.848 -8.175 1.00 23.43 C ATOM 1369 O CYS A 87 20.513 -13.383 -8.147 1.00 23.21 O ATOM 1370 CB CYS A 87 19.301 -16.291 -8.713 1.00 64.13 C ATOM 1371 SG CYS A 87 19.441 -17.983 -8.091 1.00 71.04 S ATOM 0 H CYS A 87 17.179 -16.104 -7.469 1.00 21.51 H new ATOM 0 HA CYS A 87 19.772 -15.436 -6.800 1.00 11.41 H new ATOM 0 HB2 CYS A 87 18.472 -16.242 -9.419 1.00 64.13 H new ATOM 0 HB3 CYS A 87 20.207 -16.043 -9.267 1.00 64.13 H new ATOM 0 HG CYS A 87 18.257 -18.445 -7.819 1.00 71.04 H new ATOM 1377 N VAL A 88 18.335 -13.190 -8.678 1.00 32.31 N ATOM 1378 CA VAL A 88 18.477 -11.851 -9.239 1.00 13.30 C ATOM 1379 C VAL A 88 18.617 -10.807 -8.137 1.00 43.54 C ATOM 1380 O VAL A 88 19.394 -9.859 -8.260 1.00 24.02 O ATOM 1381 CB VAL A 88 17.275 -11.485 -10.129 1.00 54.21 C ATOM 1382 CG1 VAL A 88 17.493 -10.132 -10.789 1.00 43.12 C ATOM 1383 CG2 VAL A 88 17.036 -12.565 -11.172 1.00 62.21 C ATOM 0 H VAL A 88 17.386 -13.562 -8.709 1.00 32.31 H new ATOM 0 HA VAL A 88 19.381 -11.856 -9.848 1.00 13.30 H new ATOM 0 HB VAL A 88 16.387 -11.417 -9.501 1.00 54.21 H new ATOM 0 HG11 VAL A 88 16.634 -9.889 -11.414 1.00 43.12 H new ATOM 0 HG12 VAL A 88 17.610 -9.367 -10.021 1.00 43.12 H new ATOM 0 HG13 VAL A 88 18.391 -10.168 -11.405 1.00 43.12 H new ATOM 0 HG21 VAL A 88 16.183 -12.290 -11.792 1.00 62.21 H new ATOM 0 HG22 VAL A 88 17.922 -12.668 -11.799 1.00 62.21 H new ATOM 0 HG23 VAL A 88 16.832 -13.513 -10.674 1.00 62.21 H new ATOM 1393 N HIS A 89 17.861 -10.986 -7.059 1.00 11.15 N ATOM 1394 CA HIS A 89 17.900 -10.059 -5.933 1.00 5.42 C ATOM 1395 C HIS A 89 19.146 -10.292 -5.083 1.00 40.32 C ATOM 1396 O HIS A 89 19.424 -9.438 -4.242 1.00 41.11 O ATOM 1397 CB HIS A 89 16.646 -10.215 -5.072 1.00 1.42 C ATOM 1398 CG HIS A 89 15.375 -9.921 -5.807 1.00 63.11 C ATOM 1399 ND1 HIS A 89 15.321 -9.115 -6.925 1.00 51.22 N ATOM 1400 CD2 HIS A 89 14.106 -10.332 -5.581 1.00 20.15 C ATOM 1401 CE1 HIS A 89 14.073 -9.042 -7.352 1.00 44.33 C ATOM 1402 NE2 HIS A 89 13.315 -9.773 -6.554 1.00 4.51 N ATOM 0 H HIS A 89 17.213 -11.765 -6.941 1.00 11.15 H new ATOM 0 HA HIS A 89 17.935 -9.044 -6.330 1.00 5.42 H new ATOM 0 HB2 HIS A 89 16.605 -11.233 -4.685 1.00 1.42 H new ATOM 0 HB3 HIS A 89 16.721 -9.550 -4.212 1.00 1.42 H new ATOM 0 HD1 HIS A 89 16.120 -8.648 -7.355 1.00 51.22 H new ATOM 0 HD2 HIS A 89 13.776 -10.980 -4.783 1.00 20.15 H new ATOM 0 HE1 HIS A 89 13.730 -8.480 -8.208 1.00 44.33 H new ATOM 0 HE2 HIS A 89 12.307 -9.901 -6.646 1.00 4.51 H new ATOM 1411 N GLN A 90 19.877 -11.386 -5.272 1.00 24.12 N ATOM 1412 CA GLN A 90 21.075 -11.651 -4.484 1.00 41.14 C ATOM 1413 C GLN A 90 22.333 -11.290 -5.267 1.00 40.41 C ATOM 1414 O GLN A 90 22.991 -10.290 -4.976 1.00 11.22 O ATOM 1415 CB GLN A 90 21.123 -13.122 -4.069 1.00 61.33 C ATOM 1416 CG GLN A 90 20.927 -13.340 -2.578 1.00 30.44 C ATOM 1417 CD GLN A 90 22.087 -12.821 -1.753 1.00 63.13 C ATOM 1418 OE1 GLN A 90 23.248 -12.951 -2.144 1.00 4.45 O ATOM 1419 NE2 GLN A 90 21.781 -12.226 -0.607 1.00 15.01 N ATOM 0 H GLN A 90 19.660 -12.103 -5.964 1.00 24.12 H new ATOM 0 HA GLN A 90 21.035 -11.030 -3.589 1.00 41.14 H new ATOM 0 HB2 GLN A 90 20.353 -13.669 -4.612 1.00 61.33 H new ATOM 0 HB3 GLN A 90 22.083 -13.544 -4.366 1.00 61.33 H new ATOM 0 HG2 GLN A 90 20.010 -12.844 -2.260 1.00 30.44 H new ATOM 0 HG3 GLN A 90 20.797 -14.405 -2.385 1.00 30.44 H new ATOM 0 HE21 GLN A 90 20.806 -12.140 -0.322 1.00 15.01 H new ATOM 0 HE22 GLN A 90 22.521 -11.855 -0.012 1.00 15.01 H new ATOM 1428 N ARG A 91 22.661 -12.109 -6.260 1.00 3.01 N ATOM 1429 CA ARG A 91 23.842 -11.876 -7.084 1.00 21.43 C ATOM 1430 C ARG A 91 23.975 -12.951 -8.158 1.00 63.04 C ATOM 1431 O ARG A 91 24.409 -12.674 -9.277 1.00 2.10 O ATOM 1432 CB ARG A 91 25.100 -11.851 -6.214 1.00 31.22 C ATOM 1433 CG ARG A 91 25.997 -10.653 -6.476 1.00 40.15 C ATOM 1434 CD ARG A 91 27.168 -10.611 -5.506 1.00 63.21 C ATOM 1435 NE ARG A 91 27.194 -9.372 -4.733 1.00 4.13 N ATOM 1436 CZ ARG A 91 28.135 -9.083 -3.841 1.00 41.33 C ATOM 1437 NH1 ARG A 91 29.121 -9.939 -3.611 1.00 63.21 N1+ ATOM 1438 NH2 ARG A 91 28.090 -7.935 -3.176 1.00 33.23 N ATOM 0 H ARG A 91 22.126 -12.940 -6.514 1.00 3.01 H new ATOM 0 HA ARG A 91 23.728 -10.909 -7.574 1.00 21.43 H new ATOM 0 HB2 ARG A 91 24.806 -11.851 -5.164 1.00 31.22 H new ATOM 0 HB3 ARG A 91 25.669 -12.765 -6.386 1.00 31.22 H new ATOM 0 HG2 ARG A 91 26.372 -10.694 -7.499 1.00 40.15 H new ATOM 0 HG3 ARG A 91 25.416 -9.735 -6.386 1.00 40.15 H new ATOM 0 HD2 ARG A 91 27.107 -11.461 -4.826 1.00 63.21 H new ATOM 0 HD3 ARG A 91 28.101 -10.712 -6.060 1.00 63.21 H new ATOM 0 HE ARG A 91 26.449 -8.692 -4.886 1.00 4.13 H new ATOM 0 HH11 ARG A 91 29.159 -10.822 -4.120 1.00 63.21 H new ATOM 0 HH12 ARG A 91 29.842 -9.714 -2.925 1.00 63.21 H new ATOM 0 HH21 ARG A 91 27.333 -7.274 -3.350 1.00 33.23 H new ATOM 0 HH22 ARG A 91 28.813 -7.714 -2.491 1.00 33.23 H new ATOM 1452 N ILE A 92 23.601 -14.178 -7.811 1.00 35.51 N ATOM 1453 CA ILE A 92 23.678 -15.294 -8.746 1.00 54.14 C ATOM 1454 C ILE A 92 22.989 -14.955 -10.064 1.00 34.42 C ATOM 1455 O ILE A 92 21.843 -14.505 -10.079 1.00 43.40 O ATOM 1456 CB ILE A 92 23.040 -16.566 -8.158 1.00 44.53 C ATOM 1457 CG1 ILE A 92 23.716 -16.937 -6.836 1.00 61.43 C ATOM 1458 CG2 ILE A 92 23.139 -17.715 -9.150 1.00 71.23 C ATOM 1459 CD1 ILE A 92 22.782 -16.891 -5.646 1.00 63.45 C ATOM 0 H ILE A 92 23.241 -14.425 -6.889 1.00 35.51 H new ATOM 0 HA ILE A 92 24.736 -15.480 -8.929 1.00 54.14 H new ATOM 0 HB ILE A 92 21.986 -16.370 -7.963 1.00 44.53 H new ATOM 0 HG12 ILE A 92 24.135 -17.940 -6.920 1.00 61.43 H new ATOM 0 HG13 ILE A 92 24.550 -16.257 -6.660 1.00 61.43 H new ATOM 0 HG21 ILE A 92 22.684 -18.607 -8.720 1.00 71.23 H new ATOM 0 HG22 ILE A 92 22.617 -17.448 -10.069 1.00 71.23 H new ATOM 0 HG23 ILE A 92 24.187 -17.914 -9.373 1.00 71.23 H new ATOM 0 HD11 ILE A 92 23.329 -17.165 -4.744 1.00 63.45 H new ATOM 0 HD12 ILE A 92 22.382 -15.883 -5.536 1.00 63.45 H new ATOM 0 HD13 ILE A 92 21.961 -17.592 -5.800 1.00 63.45 H new ATOM 1471 N ASP A 93 23.694 -15.177 -11.167 1.00 72.45 N ATOM 1472 CA ASP A 93 23.150 -14.898 -12.492 1.00 13.34 C ATOM 1473 C ASP A 93 22.992 -16.185 -13.295 1.00 65.13 C ATOM 1474 O ASP A 93 23.636 -16.365 -14.330 1.00 70.32 O ATOM 1475 CB ASP A 93 24.053 -13.919 -13.242 1.00 24.40 C ATOM 1476 CG ASP A 93 23.350 -13.266 -14.417 1.00 13.42 C ATOM 1477 OD1 ASP A 93 22.285 -12.651 -14.201 1.00 24.45 O1- ATOM 1478 OD2 ASP A 93 23.865 -13.370 -15.550 1.00 11.41 O ATOM 0 H ASP A 93 24.644 -15.549 -11.171 1.00 72.45 H new ATOM 0 HA ASP A 93 22.166 -14.446 -12.367 1.00 13.34 H new ATOM 0 HB2 ASP A 93 24.398 -13.147 -12.554 1.00 24.40 H new ATOM 0 HB3 ASP A 93 24.938 -14.446 -13.599 1.00 24.40 H new ATOM 1483 N VAL A 94 22.134 -17.077 -12.814 1.00 11.24 N ATOM 1484 CA VAL A 94 21.892 -18.348 -13.487 1.00 53.05 C ATOM 1485 C VAL A 94 21.198 -18.136 -14.828 1.00 53.55 C ATOM 1486 O VAL A 94 20.521 -17.128 -15.036 1.00 64.12 O ATOM 1487 CB VAL A 94 21.035 -19.289 -12.621 1.00 75.23 C ATOM 1488 CG1 VAL A 94 21.750 -19.617 -11.319 1.00 74.24 C ATOM 1489 CG2 VAL A 94 19.672 -18.668 -12.348 1.00 61.14 C ATOM 0 H VAL A 94 21.594 -16.943 -11.959 1.00 11.24 H new ATOM 0 HA VAL A 94 22.866 -18.808 -13.653 1.00 53.05 H new ATOM 0 HB VAL A 94 20.883 -20.219 -13.168 1.00 75.23 H new ATOM 0 HG11 VAL A 94 21.129 -20.283 -10.720 1.00 74.24 H new ATOM 0 HG12 VAL A 94 22.699 -20.106 -11.538 1.00 74.24 H new ATOM 0 HG13 VAL A 94 21.935 -18.697 -10.764 1.00 74.24 H new ATOM 0 HG21 VAL A 94 19.079 -19.347 -11.735 1.00 61.14 H new ATOM 0 HG22 VAL A 94 19.802 -17.723 -11.821 1.00 61.14 H new ATOM 0 HG23 VAL A 94 19.158 -18.490 -13.292 1.00 61.14 H new ATOM 1499 N LYS A 95 21.370 -19.091 -15.735 1.00 13.30 N ATOM 1500 CA LYS A 95 20.759 -19.011 -17.057 1.00 13.52 C ATOM 1501 C LYS A 95 19.397 -19.698 -17.069 1.00 41.41 C ATOM 1502 O LYS A 95 18.494 -19.295 -17.802 1.00 43.43 O ATOM 1503 CB LYS A 95 21.674 -19.650 -18.103 1.00 11.04 C ATOM 1504 CG LYS A 95 23.101 -19.132 -18.062 1.00 73.44 C ATOM 1505 CD LYS A 95 23.184 -17.691 -18.540 1.00 53.30 C ATOM 1506 CE LYS A 95 24.152 -17.544 -19.703 1.00 74.45 C ATOM 1507 NZ LYS A 95 25.570 -17.628 -19.259 1.00 5.54 N1+ ATOM 0 H LYS A 95 21.928 -19.930 -15.579 1.00 13.30 H new ATOM 0 HA LYS A 95 20.617 -17.958 -17.302 1.00 13.52 H new ATOM 0 HB2 LYS A 95 21.684 -20.730 -17.953 1.00 11.04 H new ATOM 0 HB3 LYS A 95 21.259 -19.469 -19.095 1.00 11.04 H new ATOM 0 HG2 LYS A 95 23.486 -19.202 -17.044 1.00 73.44 H new ATOM 0 HG3 LYS A 95 23.736 -19.761 -18.686 1.00 73.44 H new ATOM 0 HD2 LYS A 95 22.194 -17.350 -18.844 1.00 53.30 H new ATOM 0 HD3 LYS A 95 23.503 -17.051 -17.717 1.00 53.30 H new ATOM 0 HE2 LYS A 95 23.955 -18.323 -20.440 1.00 74.45 H new ATOM 0 HE3 LYS A 95 23.983 -16.588 -20.198 1.00 74.45 H new ATOM 0 HZ1 LYS A 95 26.198 -17.523 -20.081 1.00 5.54 H new ATOM 0 HZ2 LYS A 95 25.765 -16.869 -18.575 1.00 5.54 H new ATOM 0 HZ3 LYS A 95 25.739 -18.551 -18.810 1.00 5.54 H new ATOM 1521 N ASP A 96 19.256 -20.736 -16.251 1.00 74.30 N ATOM 1522 CA ASP A 96 18.003 -21.477 -16.167 1.00 11.41 C ATOM 1523 C ASP A 96 17.598 -21.696 -14.712 1.00 51.53 C ATOM 1524 O ASP A 96 18.359 -21.392 -13.791 1.00 60.44 O ATOM 1525 CB ASP A 96 18.133 -22.823 -16.881 1.00 34.43 C ATOM 1526 CG ASP A 96 19.480 -23.477 -16.644 1.00 13.12 C ATOM 1527 OD1 ASP A 96 19.827 -23.713 -15.467 1.00 52.04 O ATOM 1528 OD2 ASP A 96 20.188 -23.753 -17.635 1.00 74.52 O1- ATOM 0 H ASP A 96 19.993 -21.083 -15.637 1.00 74.30 H new ATOM 0 HA ASP A 96 17.227 -20.888 -16.657 1.00 11.41 H new ATOM 0 HB2 ASP A 96 17.343 -23.491 -16.538 1.00 34.43 H new ATOM 0 HB3 ASP A 96 17.986 -22.679 -17.951 1.00 34.43 H new ATOM 1533 N THR A 97 16.394 -22.223 -14.510 1.00 5.12 N ATOM 1534 CA THR A 97 15.888 -22.481 -13.169 1.00 53.40 C ATOM 1535 C THR A 97 16.663 -23.606 -12.494 1.00 24.01 C ATOM 1536 O THR A 97 16.959 -23.542 -11.300 1.00 62.12 O ATOM 1537 CB THR A 97 14.392 -22.846 -13.194 1.00 4.13 C ATOM 1538 OG1 THR A 97 13.676 -21.926 -14.024 1.00 20.14 O ATOM 1539 CG2 THR A 97 13.807 -22.831 -11.790 1.00 13.41 C ATOM 0 H THR A 97 15.751 -22.479 -15.260 1.00 5.12 H new ATOM 0 HA THR A 97 16.021 -21.561 -12.600 1.00 53.40 H new ATOM 0 HB THR A 97 14.294 -23.853 -13.600 1.00 4.13 H new ATOM 0 HG1 THR A 97 12.969 -21.495 -13.500 1.00 20.14 H new ATOM 0 HG21 THR A 97 12.750 -23.092 -11.834 1.00 13.41 H new ATOM 0 HG22 THR A 97 14.334 -23.555 -11.168 1.00 13.41 H new ATOM 0 HG23 THR A 97 13.918 -21.835 -11.360 1.00 13.41 H new ATOM 1547 N LYS A 98 16.992 -24.636 -13.265 1.00 21.35 N ATOM 1548 CA LYS A 98 17.736 -25.777 -12.743 1.00 1.42 C ATOM 1549 C LYS A 98 19.001 -25.319 -12.026 1.00 50.34 C ATOM 1550 O LYS A 98 19.263 -25.719 -10.892 1.00 35.41 O ATOM 1551 CB LYS A 98 18.099 -26.737 -13.877 1.00 22.10 C ATOM 1552 CG LYS A 98 18.886 -27.953 -13.417 1.00 54.34 C ATOM 1553 CD LYS A 98 20.244 -28.027 -14.094 1.00 31.32 C ATOM 1554 CE LYS A 98 20.969 -29.319 -13.748 1.00 52.11 C ATOM 1555 NZ LYS A 98 20.540 -30.447 -14.620 1.00 13.44 N1+ ATOM 0 H LYS A 98 16.755 -24.705 -14.255 1.00 21.35 H new ATOM 0 HA LYS A 98 17.100 -26.296 -12.025 1.00 1.42 H new ATOM 0 HB2 LYS A 98 17.184 -27.071 -14.366 1.00 22.10 H new ATOM 0 HB3 LYS A 98 18.682 -26.199 -14.625 1.00 22.10 H new ATOM 0 HG2 LYS A 98 19.019 -27.914 -12.336 1.00 54.34 H new ATOM 0 HG3 LYS A 98 18.320 -28.858 -13.636 1.00 54.34 H new ATOM 0 HD2 LYS A 98 20.118 -27.957 -15.174 1.00 31.32 H new ATOM 0 HD3 LYS A 98 20.851 -27.175 -13.789 1.00 31.32 H new ATOM 0 HE2 LYS A 98 22.044 -29.170 -13.849 1.00 52.11 H new ATOM 0 HE3 LYS A 98 20.779 -29.574 -12.705 1.00 52.11 H new ATOM 0 HZ1 LYS A 98 21.057 -31.309 -14.352 1.00 13.44 H new ATOM 0 HZ2 LYS A 98 19.519 -30.606 -14.505 1.00 13.44 H new ATOM 0 HZ3 LYS A 98 20.744 -30.215 -15.613 1.00 13.44 H new ATOM 1569 N GLU A 99 19.783 -24.475 -12.694 1.00 12.34 N ATOM 1570 CA GLU A 99 21.021 -23.963 -12.119 1.00 12.23 C ATOM 1571 C GLU A 99 20.738 -23.138 -10.865 1.00 23.04 C ATOM 1572 O GLU A 99 21.477 -23.209 -9.883 1.00 62.13 O ATOM 1573 CB GLU A 99 21.771 -23.111 -13.144 1.00 43.42 C ATOM 1574 CG GLU A 99 23.140 -22.653 -12.669 1.00 51.35 C ATOM 1575 CD GLU A 99 23.630 -21.420 -13.405 1.00 3.40 C ATOM 1576 OE1 GLU A 99 23.352 -21.304 -14.617 1.00 65.03 O ATOM 1577 OE2 GLU A 99 24.291 -20.573 -12.769 1.00 41.14 O1- ATOM 0 H GLU A 99 19.581 -24.132 -13.633 1.00 12.34 H new ATOM 0 HA GLU A 99 21.642 -24.815 -11.841 1.00 12.23 H new ATOM 0 HB2 GLU A 99 21.888 -23.683 -14.064 1.00 43.42 H new ATOM 0 HB3 GLU A 99 21.168 -22.236 -13.387 1.00 43.42 H new ATOM 0 HG2 GLU A 99 23.098 -22.441 -11.601 1.00 51.35 H new ATOM 0 HG3 GLU A 99 23.857 -23.462 -12.805 1.00 51.35 H new ATOM 1584 N ALA A 100 19.663 -22.359 -10.908 1.00 53.44 N ATOM 1585 CA ALA A 100 19.281 -21.522 -9.777 1.00 1.41 C ATOM 1586 C ALA A 100 18.966 -22.370 -8.550 1.00 53.41 C ATOM 1587 O ALA A 100 19.485 -22.121 -7.461 1.00 13.44 O ATOM 1588 CB ALA A 100 18.087 -20.654 -10.142 1.00 70.54 C ATOM 0 H ALA A 100 19.041 -22.290 -11.713 1.00 53.44 H new ATOM 0 HA ALA A 100 20.124 -20.876 -9.533 1.00 1.41 H new ATOM 0 HB1 ALA A 100 17.813 -20.034 -9.288 1.00 70.54 H new ATOM 0 HB2 ALA A 100 18.346 -20.015 -10.986 1.00 70.54 H new ATOM 0 HB3 ALA A 100 17.245 -21.290 -10.414 1.00 70.54 H new ATOM 1594 N LEU A 101 18.112 -23.370 -8.731 1.00 0.04 N ATOM 1595 CA LEU A 101 17.726 -24.256 -7.637 1.00 45.32 C ATOM 1596 C LEU A 101 18.956 -24.837 -6.947 1.00 43.22 C ATOM 1597 O LEU A 101 19.039 -24.859 -5.719 1.00 21.35 O ATOM 1598 CB LEU A 101 16.839 -25.387 -8.159 1.00 34.23 C ATOM 1599 CG LEU A 101 15.494 -24.965 -8.752 1.00 21.43 C ATOM 1600 CD1 LEU A 101 14.790 -26.158 -9.381 1.00 44.42 C ATOM 1601 CD2 LEU A 101 14.616 -24.327 -7.685 1.00 65.10 C ATOM 0 H LEU A 101 17.673 -23.589 -9.625 1.00 0.04 H new ATOM 0 HA LEU A 101 17.166 -23.670 -6.908 1.00 45.32 H new ATOM 0 HB2 LEU A 101 17.394 -25.935 -8.921 1.00 34.23 H new ATOM 0 HB3 LEU A 101 16.651 -26.082 -7.340 1.00 34.23 H new ATOM 0 HG LEU A 101 15.679 -24.226 -9.531 1.00 21.43 H new ATOM 0 HD11 LEU A 101 13.835 -25.839 -9.798 1.00 44.42 H new ATOM 0 HD12 LEU A 101 15.412 -26.571 -10.175 1.00 44.42 H new ATOM 0 HD13 LEU A 101 14.618 -26.921 -8.622 1.00 44.42 H new ATOM 0 HD21 LEU A 101 13.663 -24.033 -8.126 1.00 65.10 H new ATOM 0 HD22 LEU A 101 14.439 -25.044 -6.883 1.00 65.10 H new ATOM 0 HD23 LEU A 101 15.116 -23.447 -7.281 1.00 65.10 H new ATOM 1613 N ASP A 102 19.911 -25.302 -7.745 1.00 22.35 N ATOM 1614 CA ASP A 102 21.139 -25.880 -7.212 1.00 53.40 C ATOM 1615 C ASP A 102 21.826 -24.909 -6.257 1.00 43.22 C ATOM 1616 O ASP A 102 22.547 -25.321 -5.348 1.00 53.42 O ATOM 1617 CB ASP A 102 22.089 -26.254 -8.350 1.00 70.11 C ATOM 1618 CG ASP A 102 23.094 -27.313 -7.943 1.00 51.22 C ATOM 1619 OD1 ASP A 102 24.086 -26.960 -7.271 1.00 3.45 O1- ATOM 1620 OD2 ASP A 102 22.889 -28.493 -8.296 1.00 1.22 O ATOM 0 H ASP A 102 19.858 -25.290 -8.764 1.00 22.35 H new ATOM 0 HA ASP A 102 20.876 -26.782 -6.659 1.00 53.40 H new ATOM 0 HB2 ASP A 102 21.509 -26.615 -9.199 1.00 70.11 H new ATOM 0 HB3 ASP A 102 22.620 -25.362 -8.683 1.00 70.11 H new ATOM 1625 N LYS A 103 21.601 -23.617 -6.471 1.00 32.43 N ATOM 1626 CA LYS A 103 22.197 -22.586 -5.631 1.00 35.14 C ATOM 1627 C LYS A 103 21.405 -22.411 -4.338 1.00 25.34 C ATOM 1628 O LYS A 103 21.969 -22.088 -3.293 1.00 12.52 O ATOM 1629 CB LYS A 103 22.260 -21.257 -6.385 1.00 61.05 C ATOM 1630 CG LYS A 103 23.010 -21.340 -7.703 1.00 24.54 C ATOM 1631 CD LYS A 103 24.508 -21.185 -7.504 1.00 54.41 C ATOM 1632 CE LYS A 103 25.270 -21.411 -8.800 1.00 41.40 C ATOM 1633 NZ LYS A 103 26.225 -20.303 -9.083 1.00 34.52 N1+ ATOM 0 H LYS A 103 21.009 -23.259 -7.221 1.00 32.43 H new ATOM 0 HA LYS A 103 23.209 -22.901 -5.377 1.00 35.14 H new ATOM 0 HB2 LYS A 103 21.245 -20.909 -6.576 1.00 61.05 H new ATOM 0 HB3 LYS A 103 22.739 -20.511 -5.750 1.00 61.05 H new ATOM 0 HG2 LYS A 103 22.803 -22.298 -8.181 1.00 24.54 H new ATOM 0 HG3 LYS A 103 22.649 -20.563 -8.377 1.00 24.54 H new ATOM 0 HD2 LYS A 103 24.724 -20.187 -7.123 1.00 54.41 H new ATOM 0 HD3 LYS A 103 24.851 -21.894 -6.751 1.00 54.41 H new ATOM 0 HE2 LYS A 103 25.814 -22.354 -8.742 1.00 41.40 H new ATOM 0 HE3 LYS A 103 24.564 -21.501 -9.625 1.00 41.40 H new ATOM 0 HZ1 LYS A 103 26.896 -20.603 -9.819 1.00 34.52 H new ATOM 0 HZ2 LYS A 103 25.700 -19.468 -9.413 1.00 34.52 H new ATOM 0 HZ3 LYS A 103 26.746 -20.064 -8.215 1.00 34.52 H new ATOM 1647 N ILE A 104 20.097 -22.631 -4.417 1.00 70.15 N ATOM 1648 CA ILE A 104 19.230 -22.500 -3.253 1.00 74.31 C ATOM 1649 C ILE A 104 19.488 -23.616 -2.247 1.00 52.11 C ATOM 1650 O ILE A 104 19.479 -23.389 -1.038 1.00 33.13 O ATOM 1651 CB ILE A 104 17.743 -22.519 -3.654 1.00 73.13 C ATOM 1652 CG1 ILE A 104 17.488 -21.539 -4.801 1.00 61.15 C ATOM 1653 CG2 ILE A 104 16.867 -22.181 -2.457 1.00 31.41 C ATOM 1654 CD1 ILE A 104 17.748 -20.095 -4.431 1.00 41.31 C ATOM 0 H ILE A 104 19.615 -22.901 -5.274 1.00 70.15 H new ATOM 0 HA ILE A 104 19.462 -21.539 -2.793 1.00 74.31 H new ATOM 0 HB ILE A 104 17.487 -23.522 -3.995 1.00 73.13 H new ATOM 0 HG12 ILE A 104 18.121 -21.809 -5.646 1.00 61.15 H new ATOM 0 HG13 ILE A 104 16.454 -21.640 -5.132 1.00 61.15 H new ATOM 0 HG21 ILE A 104 15.819 -22.198 -2.757 1.00 31.41 H new ATOM 0 HG22 ILE A 104 17.031 -22.914 -1.667 1.00 31.41 H new ATOM 0 HG23 ILE A 104 17.122 -21.188 -2.088 1.00 31.41 H new ATOM 0 HD11 ILE A 104 17.547 -19.457 -5.292 1.00 41.31 H new ATOM 0 HD12 ILE A 104 17.096 -19.808 -3.606 1.00 41.31 H new ATOM 0 HD13 ILE A 104 18.789 -19.979 -4.128 1.00 41.31 H new ATOM 1666 N GLU A 105 19.719 -24.822 -2.756 1.00 44.30 N ATOM 1667 CA GLU A 105 19.982 -25.974 -1.902 1.00 3.35 C ATOM 1668 C GLU A 105 21.349 -25.857 -1.235 1.00 44.54 C ATOM 1669 O GLU A 105 21.465 -25.947 -0.013 1.00 44.33 O ATOM 1670 CB GLU A 105 19.908 -27.268 -2.715 1.00 12.11 C ATOM 1671 CG GLU A 105 18.641 -28.071 -2.467 1.00 72.01 C ATOM 1672 CD GLU A 105 18.642 -29.400 -3.195 1.00 73.43 C ATOM 1673 OE1 GLU A 105 18.407 -29.405 -4.422 1.00 32.32 O1- ATOM 1674 OE2 GLU A 105 18.877 -30.436 -2.539 1.00 74.02 O ATOM 0 H GLU A 105 19.729 -25.026 -3.755 1.00 44.30 H new ATOM 0 HA GLU A 105 19.219 -25.998 -1.124 1.00 3.35 H new ATOM 0 HB2 GLU A 105 19.972 -27.025 -3.776 1.00 12.11 H new ATOM 0 HB3 GLU A 105 20.773 -27.887 -2.477 1.00 12.11 H new ATOM 0 HG2 GLU A 105 18.530 -28.247 -1.397 1.00 72.01 H new ATOM 0 HG3 GLU A 105 17.777 -27.487 -2.785 1.00 72.01 H new