USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 810 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 29 TYR OH : rot 70:sc= 0.411 USER MOD Set 1.2: A 97 THR OG1 : rot -109:sc= 0.301 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= -0.907 USER MOD Single : A 15 LYS NZ :NH3+ -122:sc= -0.0415 (180deg=-0.607) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.24) 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= -2 K(o=-2,f=-9.9!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.395 USER MOD Single : A 54 SER OG : rot 180:sc=-0.00488 USER MOD Single : A 57 CYS SG : rot 141:sc= -1.13 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= 0.549 K(o=0.55,f=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 96:sc= 0.0777 USER MOD Single : A 69 GLN : amide:sc= -0.257 X(o=-0.26,f=-0.18) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0.0182 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.454 USER MOD Single : A 80 ASN : amide:sc= -0.815 K(o=-0.81,f=-1.5) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 150:sc= 0.373 USER MOD Single : A 87 CYS SG : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HE2:sc= -0.256 K(o=-0.19,f=-2.4!) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ -121:sc= -0.153 (180deg=-0.697) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 52 N SER A 6 1.209 9.603 3.328 1.00 33.21 N ATOM 53 CA SER A 6 0.643 8.582 2.457 1.00 44.15 C ATOM 54 C SER A 6 0.018 9.212 1.215 1.00 73.35 C ATOM 55 O SER A 6 0.091 8.657 0.119 1.00 33.20 O ATOM 56 CB SER A 6 -0.408 7.764 3.209 1.00 33.13 C ATOM 57 OG SER A 6 0.118 6.514 3.621 1.00 3.14 O ATOM 0 HA SER A 6 1.451 7.921 2.142 1.00 44.15 H new ATOM 0 HB2 SER A 6 -0.753 8.322 4.080 1.00 33.13 H new ATOM 0 HB3 SER A 6 -1.275 7.604 2.569 1.00 33.13 H new ATOM 0 HG SER A 6 -0.572 6.011 4.101 1.00 3.14 H new ATOM 63 N VAL A 7 -0.596 10.377 1.396 1.00 73.21 N ATOM 64 CA VAL A 7 -1.232 11.085 0.292 1.00 60.32 C ATOM 65 C VAL A 7 -0.522 12.404 0.003 1.00 42.44 C ATOM 66 O VAL A 7 -0.178 12.698 -1.143 1.00 44.51 O ATOM 67 CB VAL A 7 -2.717 11.370 0.589 1.00 53.45 C ATOM 68 CG1 VAL A 7 -3.349 12.150 -0.553 1.00 64.11 C ATOM 69 CG2 VAL A 7 -3.468 10.070 0.837 1.00 52.52 C ATOM 0 H VAL A 7 -0.666 10.850 2.297 1.00 73.21 H new ATOM 0 HA VAL A 7 -1.161 10.437 -0.582 1.00 60.32 H new ATOM 0 HB VAL A 7 -2.780 11.978 1.491 1.00 53.45 H new ATOM 0 HG11 VAL A 7 -4.398 12.342 -0.326 1.00 64.11 H new ATOM 0 HG12 VAL A 7 -2.826 13.098 -0.680 1.00 64.11 H new ATOM 0 HG13 VAL A 7 -3.277 11.570 -1.473 1.00 64.11 H new ATOM 0 HG21 VAL A 7 -4.515 10.289 1.045 1.00 52.52 H new ATOM 0 HG22 VAL A 7 -3.399 9.435 -0.047 1.00 52.52 H new ATOM 0 HG23 VAL A 7 -3.029 9.553 1.690 1.00 52.52 H new ATOM 79 N LEU A 8 -0.305 13.194 1.048 1.00 60.44 N ATOM 80 CA LEU A 8 0.365 14.482 0.907 1.00 65.31 C ATOM 81 C LEU A 8 1.790 14.416 1.446 1.00 72.33 C ATOM 82 O LEU A 8 2.019 13.975 2.572 1.00 54.14 O ATOM 83 CB LEU A 8 -0.420 15.571 1.640 1.00 64.10 C ATOM 84 CG LEU A 8 -1.875 15.758 1.207 1.00 54.50 C ATOM 85 CD1 LEU A 8 -2.472 16.994 1.860 1.00 22.00 C ATOM 86 CD2 LEU A 8 -1.971 15.853 -0.308 1.00 61.24 C ATOM 0 H LEU A 8 -0.583 12.966 2.002 1.00 60.44 H new ATOM 0 HA LEU A 8 0.409 14.727 -0.154 1.00 65.31 H new ATOM 0 HB2 LEU A 8 -0.406 15.346 2.706 1.00 64.10 H new ATOM 0 HB3 LEU A 8 0.102 16.519 1.507 1.00 64.10 H new ATOM 0 HG LEU A 8 -2.446 14.889 1.534 1.00 54.50 H new ATOM 0 HD11 LEU A 8 -3.507 17.110 1.540 1.00 22.00 H new ATOM 0 HD12 LEU A 8 -2.437 16.886 2.944 1.00 22.00 H new ATOM 0 HD13 LEU A 8 -1.900 17.874 1.565 1.00 22.00 H new ATOM 0 HD21 LEU A 8 -3.013 15.986 -0.599 1.00 61.24 H new ATOM 0 HD22 LEU A 8 -1.386 16.704 -0.657 1.00 61.24 H new ATOM 0 HD23 LEU A 8 -1.583 14.938 -0.755 1.00 61.24 H new ATOM 98 N SER A 9 2.746 14.860 0.634 1.00 4.03 N ATOM 99 CA SER A 9 4.149 14.850 1.029 1.00 4.42 C ATOM 100 C SER A 9 4.436 15.955 2.042 1.00 52.21 C ATOM 101 O SER A 9 3.520 16.535 2.622 1.00 51.34 O ATOM 102 CB SER A 9 5.047 15.020 -0.198 1.00 62.42 C ATOM 103 OG SER A 9 5.330 16.389 -0.437 1.00 10.54 O ATOM 0 H SER A 9 2.573 15.231 -0.300 1.00 4.03 H new ATOM 0 HA SER A 9 4.363 13.889 1.496 1.00 4.42 H new ATOM 0 HB2 SER A 9 5.978 14.473 -0.050 1.00 62.42 H new ATOM 0 HB3 SER A 9 4.560 14.588 -1.072 1.00 62.42 H new ATOM 0 HG SER A 9 5.907 16.471 -1.225 1.00 10.54 H new ATOM 109 N GLY A 10 5.719 16.239 2.250 1.00 40.24 N ATOM 110 CA GLY A 10 6.106 17.273 3.192 1.00 73.10 C ATOM 111 C GLY A 10 5.600 18.644 2.788 1.00 34.31 C ATOM 112 O GLY A 10 4.823 19.264 3.512 1.00 34.23 O ATOM 0 H GLY A 10 6.496 15.772 1.783 1.00 40.24 H new ATOM 0 HA2 GLY A 10 5.720 17.023 4.180 1.00 73.10 H new ATOM 0 HA3 GLY A 10 7.193 17.299 3.272 1.00 73.10 H new ATOM 116 N GLY A 11 6.045 19.120 1.629 1.00 51.21 N ATOM 117 CA GLY A 11 5.623 20.424 1.152 1.00 53.51 C ATOM 118 C GLY A 11 4.123 20.513 0.959 1.00 24.24 C ATOM 119 O GLY A 11 3.532 21.579 1.132 1.00 21.12 O ATOM 0 H GLY A 11 6.690 18.626 1.012 1.00 51.21 H new ATOM 0 HA2 GLY A 11 5.941 21.187 1.862 1.00 53.51 H new ATOM 0 HA3 GLY A 11 6.121 20.640 0.207 1.00 53.51 H new ATOM 123 N GLU A 12 3.505 19.393 0.599 1.00 61.21 N ATOM 124 CA GLU A 12 2.064 19.351 0.381 1.00 61.13 C ATOM 125 C GLU A 12 1.311 19.406 1.707 1.00 14.43 C ATOM 126 O GLU A 12 0.280 20.069 1.822 1.00 53.32 O ATOM 127 CB GLU A 12 1.678 18.085 -0.386 1.00 72.12 C ATOM 128 CG GLU A 12 2.553 17.818 -1.600 1.00 24.13 C ATOM 129 CD GLU A 12 1.991 16.733 -2.497 1.00 4.42 C ATOM 130 OE1 GLU A 12 2.082 15.545 -2.120 1.00 21.25 O ATOM 131 OE2 GLU A 12 1.459 17.069 -3.576 1.00 31.23 O ATOM 0 H GLU A 12 3.980 18.502 0.452 1.00 61.21 H new ATOM 0 HA GLU A 12 1.787 20.223 -0.211 1.00 61.13 H new ATOM 0 HB2 GLU A 12 1.736 17.230 0.288 1.00 72.12 H new ATOM 0 HB3 GLU A 12 0.640 18.168 -0.708 1.00 72.12 H new ATOM 0 HG2 GLU A 12 2.662 18.738 -2.174 1.00 24.13 H new ATOM 0 HG3 GLU A 12 3.550 17.529 -1.268 1.00 24.13 H new ATOM 138 N LEU A 13 1.833 18.702 2.706 1.00 55.22 N ATOM 139 CA LEU A 13 1.211 18.668 4.025 1.00 64.02 C ATOM 140 C LEU A 13 1.049 20.077 4.587 1.00 71.43 C ATOM 141 O LEU A 13 -0.034 20.458 5.033 1.00 14.43 O ATOM 142 CB LEU A 13 2.046 17.818 4.982 1.00 15.24 C ATOM 143 CG LEU A 13 1.326 17.309 6.232 1.00 22.53 C ATOM 144 CD1 LEU A 13 2.250 16.430 7.061 1.00 65.24 C ATOM 145 CD2 LEU A 13 0.810 18.477 7.062 1.00 75.11 C ATOM 0 H LEU A 13 2.685 18.147 2.627 1.00 55.22 H new ATOM 0 HA LEU A 13 0.222 18.222 3.922 1.00 64.02 H new ATOM 0 HB2 LEU A 13 2.429 16.958 4.432 1.00 15.24 H new ATOM 0 HB3 LEU A 13 2.909 18.404 5.298 1.00 15.24 H new ATOM 0 HG LEU A 13 0.473 16.707 5.917 1.00 22.53 H new ATOM 0 HD11 LEU A 13 1.720 16.078 7.946 1.00 65.24 H new ATOM 0 HD12 LEU A 13 2.570 15.575 6.465 1.00 65.24 H new ATOM 0 HD13 LEU A 13 3.123 17.007 7.367 1.00 65.24 H new ATOM 0 HD21 LEU A 13 0.300 18.097 7.947 1.00 75.11 H new ATOM 0 HD22 LEU A 13 1.647 19.105 7.367 1.00 75.11 H new ATOM 0 HD23 LEU A 13 0.112 19.066 6.467 1.00 75.11 H new ATOM 157 N ASP A 14 2.131 20.847 4.559 1.00 33.32 N ATOM 158 CA ASP A 14 2.109 22.216 5.062 1.00 23.03 C ATOM 159 C ASP A 14 0.962 23.005 4.439 1.00 2.15 C ATOM 160 O ASP A 14 0.030 23.417 5.131 1.00 71.43 O ATOM 161 CB ASP A 14 3.440 22.910 4.772 1.00 73.51 C ATOM 162 CG ASP A 14 4.085 23.473 6.023 1.00 23.04 C ATOM 163 OD1 ASP A 14 3.377 24.138 6.809 1.00 62.22 O ATOM 164 OD2 ASP A 14 5.298 23.247 6.218 1.00 21.11 O ATOM 0 H ASP A 14 3.035 20.547 4.193 1.00 33.32 H new ATOM 0 HA ASP A 14 1.956 22.179 6.141 1.00 23.03 H new ATOM 0 HB2 ASP A 14 4.122 22.200 4.303 1.00 73.51 H new ATOM 0 HB3 ASP A 14 3.278 23.716 4.056 1.00 73.51 H new ATOM 169 N LYS A 15 1.037 23.213 3.129 1.00 71.01 N ATOM 170 CA LYS A 15 0.006 23.953 2.411 1.00 32.45 C ATOM 171 C LYS A 15 -1.383 23.430 2.762 1.00 43.20 C ATOM 172 O LYS A 15 -2.286 24.204 3.078 1.00 64.33 O ATOM 173 CB LYS A 15 0.234 23.852 0.901 1.00 12.13 C ATOM 174 CG LYS A 15 1.030 25.012 0.328 1.00 11.40 C ATOM 175 CD LYS A 15 2.311 24.533 -0.337 1.00 64.21 C ATOM 176 CE LYS A 15 2.099 24.254 -1.818 1.00 23.33 C ATOM 177 NZ LYS A 15 1.710 22.838 -2.064 1.00 4.12 N ATOM 0 H LYS A 15 1.802 22.879 2.542 1.00 71.01 H new ATOM 0 HA LYS A 15 0.068 24.999 2.712 1.00 32.45 H new ATOM 0 HB2 LYS A 15 0.756 22.921 0.682 1.00 12.13 H new ATOM 0 HB3 LYS A 15 -0.732 23.802 0.399 1.00 12.13 H new ATOM 0 HG2 LYS A 15 0.420 25.549 -0.398 1.00 11.40 H new ATOM 0 HG3 LYS A 15 1.273 25.716 1.124 1.00 11.40 H new ATOM 0 HD2 LYS A 15 3.089 25.286 -0.215 1.00 64.21 H new ATOM 0 HD3 LYS A 15 2.663 23.628 0.158 1.00 64.21 H new ATOM 0 HE2 LYS A 15 1.325 24.916 -2.205 1.00 23.33 H new ATOM 0 HE3 LYS A 15 3.014 24.480 -2.365 1.00 23.33 H new ATOM 0 HZ1 LYS A 15 2.397 22.396 -2.707 1.00 4.12 H new ATOM 0 HZ2 LYS A 15 1.697 22.320 -1.162 1.00 4.12 H new ATOM 0 HZ3 LYS A 15 0.764 22.808 -2.495 1.00 4.12 H new ATOM 191 N TRP A 16 -1.545 22.113 2.707 1.00 63.51 N ATOM 192 CA TRP A 16 -2.825 21.487 3.021 1.00 23.03 C ATOM 193 C TRP A 16 -3.414 22.065 4.303 1.00 0.12 C ATOM 194 O TRP A 16 -4.537 22.569 4.308 1.00 12.20 O ATOM 195 CB TRP A 16 -2.655 19.974 3.160 1.00 14.42 C ATOM 196 CG TRP A 16 -3.910 19.272 3.583 1.00 12.33 C ATOM 197 CD1 TRP A 16 -4.209 18.810 4.832 1.00 0.45 C ATOM 198 CD2 TRP A 16 -5.032 18.949 2.754 1.00 22.11 C ATOM 199 NE1 TRP A 16 -5.451 18.220 4.831 1.00 33.34 N ATOM 200 CE2 TRP A 16 -5.977 18.294 3.569 1.00 74.00 C ATOM 201 CE3 TRP A 16 -5.333 19.154 1.405 1.00 3.31 C ATOM 202 CZ2 TRP A 16 -7.198 17.841 3.076 1.00 73.13 C ATOM 203 CZ3 TRP A 16 -6.545 18.703 0.917 1.00 55.31 C ATOM 204 CH2 TRP A 16 -7.465 18.053 1.751 1.00 63.25 C ATOM 0 H TRP A 16 -0.807 21.458 2.448 1.00 63.51 H new ATOM 0 HA TRP A 16 -3.513 21.694 2.202 1.00 23.03 H new ATOM 0 HB2 TRP A 16 -2.321 19.564 2.207 1.00 14.42 H new ATOM 0 HB3 TRP A 16 -1.870 19.769 3.888 1.00 14.42 H new ATOM 0 HD1 TRP A 16 -3.565 18.895 5.695 1.00 0.45 H new ATOM 0 HE1 TRP A 16 -5.907 17.796 5.639 1.00 33.34 H new ATOM 0 HE3 TRP A 16 -4.631 19.656 0.755 1.00 3.31 H new ATOM 0 HZ2 TRP A 16 -7.909 17.340 3.717 1.00 73.13 H new ATOM 0 HZ3 TRP A 16 -6.787 18.854 -0.125 1.00 55.31 H new ATOM 0 HH2 TRP A 16 -8.404 17.713 1.339 1.00 63.25 H new ATOM 215 N GLU A 17 -2.649 21.990 5.388 1.00 53.21 N ATOM 216 CA GLU A 17 -3.098 22.505 6.676 1.00 71.45 C ATOM 217 C GLU A 17 -3.333 24.011 6.606 1.00 73.43 C ATOM 218 O GLU A 17 -4.055 24.578 7.427 1.00 15.45 O ATOM 219 CB GLU A 17 -2.069 22.188 7.763 1.00 21.43 C ATOM 220 CG GLU A 17 -2.200 20.788 8.336 1.00 22.02 C ATOM 221 CD GLU A 17 -1.747 20.703 9.781 1.00 70.22 C ATOM 222 OE1 GLU A 17 -1.074 21.646 10.246 1.00 33.20 O ATOM 223 OE2 GLU A 17 -2.065 19.695 10.444 1.00 1.31 O ATOM 0 H GLU A 17 -1.716 21.578 5.400 1.00 53.21 H new ATOM 0 HA GLU A 17 -4.041 22.018 6.926 1.00 71.45 H new ATOM 0 HB2 GLU A 17 -1.068 22.310 7.350 1.00 21.43 H new ATOM 0 HB3 GLU A 17 -2.171 22.913 8.571 1.00 21.43 H new ATOM 0 HG2 GLU A 17 -3.239 20.467 8.266 1.00 22.02 H new ATOM 0 HG3 GLU A 17 -1.611 20.096 7.733 1.00 22.02 H new ATOM 230 N LYS A 18 -2.719 24.656 5.620 1.00 51.10 N ATOM 231 CA LYS A 18 -2.860 26.096 5.440 1.00 3.00 C ATOM 232 C LYS A 18 -4.257 26.446 4.938 1.00 33.42 C ATOM 233 O LYS A 18 -5.057 27.038 5.664 1.00 12.22 O ATOM 234 CB LYS A 18 -1.808 26.614 4.456 1.00 24.24 C ATOM 235 CG LYS A 18 -1.481 28.086 4.636 1.00 33.52 C ATOM 236 CD LYS A 18 -0.351 28.289 5.631 1.00 60.11 C ATOM 237 CE LYS A 18 -0.869 28.801 6.966 1.00 72.22 C ATOM 238 NZ LYS A 18 0.195 29.495 7.744 1.00 35.41 N ATOM 0 H LYS A 18 -2.118 24.203 4.932 1.00 51.10 H new ATOM 0 HA LYS A 18 -2.709 26.575 6.408 1.00 3.00 H new ATOM 0 HB2 LYS A 18 -0.895 26.030 4.573 1.00 24.24 H new ATOM 0 HB3 LYS A 18 -2.163 26.451 3.438 1.00 24.24 H new ATOM 0 HG2 LYS A 18 -1.202 28.518 3.675 1.00 33.52 H new ATOM 0 HG3 LYS A 18 -2.369 28.617 4.979 1.00 33.52 H new ATOM 0 HD2 LYS A 18 0.176 27.347 5.781 1.00 60.11 H new ATOM 0 HD3 LYS A 18 0.371 28.997 5.224 1.00 60.11 H new ATOM 0 HE2 LYS A 18 -1.699 29.486 6.795 1.00 72.22 H new ATOM 0 HE3 LYS A 18 -1.259 27.966 7.549 1.00 72.22 H new ATOM 0 HZ1 LYS A 18 -0.197 29.829 8.647 1.00 35.41 H new ATOM 0 HZ2 LYS A 18 0.976 28.834 7.929 1.00 35.41 H new ATOM 0 HZ3 LYS A 18 0.550 30.307 7.199 1.00 35.41 H new ATOM 252 N ILE A 19 -4.544 26.078 3.695 1.00 50.13 N ATOM 253 CA ILE A 19 -5.846 26.352 3.099 1.00 53.10 C ATOM 254 C ILE A 19 -6.973 26.062 4.083 1.00 23.00 C ATOM 255 O ILE A 19 -6.853 25.187 4.940 1.00 24.20 O ATOM 256 CB ILE A 19 -6.067 25.518 1.822 1.00 1.33 C ATOM 257 CG1 ILE A 19 -4.920 25.742 0.836 1.00 72.04 C ATOM 258 CG2 ILE A 19 -7.401 25.873 1.183 1.00 23.00 C ATOM 259 CD1 ILE A 19 -4.273 24.460 0.361 1.00 32.02 C ATOM 0 H ILE A 19 -3.893 25.589 3.080 1.00 50.13 H new ATOM 0 HA ILE A 19 -5.858 27.410 2.839 1.00 53.10 H new ATOM 0 HB ILE A 19 -6.086 24.462 2.093 1.00 1.33 H new ATOM 0 HG12 ILE A 19 -5.296 26.291 -0.027 1.00 72.04 H new ATOM 0 HG13 ILE A 19 -4.163 26.368 1.308 1.00 72.04 H new ATOM 0 HG21 ILE A 19 -7.543 25.276 0.282 1.00 23.00 H new ATOM 0 HG22 ILE A 19 -8.208 25.666 1.886 1.00 23.00 H new ATOM 0 HG23 ILE A 19 -7.409 26.931 0.922 1.00 23.00 H new ATOM 0 HD11 ILE A 19 -3.468 24.695 -0.335 1.00 32.02 H new ATOM 0 HD12 ILE A 19 -3.867 23.919 1.216 1.00 32.02 H new ATOM 0 HD13 ILE A 19 -5.017 23.841 -0.140 1.00 32.02 H new ATOM 271 N ARG A 20 -8.069 26.803 3.954 1.00 61.55 N ATOM 272 CA ARG A 20 -9.220 26.626 4.831 1.00 15.13 C ATOM 273 C ARG A 20 -10.442 26.168 4.041 1.00 43.41 C ATOM 274 O ARG A 20 -10.490 26.305 2.818 1.00 5.53 O ATOM 275 CB ARG A 20 -9.534 27.931 5.566 1.00 51.54 C ATOM 276 CG ARG A 20 -8.487 28.316 6.598 1.00 61.41 C ATOM 277 CD ARG A 20 -8.594 29.784 6.979 1.00 13.34 C ATOM 278 NE ARG A 20 -7.288 30.374 7.258 1.00 55.30 N ATOM 279 CZ ARG A 20 -7.121 31.616 7.700 1.00 10.31 C ATOM 280 NH1 ARG A 20 -8.173 32.394 7.914 1.00 42.04 N ATOM 281 NH2 ARG A 20 -5.900 32.081 7.930 1.00 33.30 N ATOM 0 H ARG A 20 -8.184 27.532 3.250 1.00 61.55 H new ATOM 0 HA ARG A 20 -8.972 25.856 5.561 1.00 15.13 H new ATOM 0 HB2 ARG A 20 -9.626 28.736 4.837 1.00 51.54 H new ATOM 0 HB3 ARG A 20 -10.501 27.836 6.060 1.00 51.54 H new ATOM 0 HG2 ARG A 20 -8.607 27.698 7.488 1.00 61.41 H new ATOM 0 HG3 ARG A 20 -7.492 28.113 6.202 1.00 61.41 H new ATOM 0 HD2 ARG A 20 -9.075 30.334 6.170 1.00 13.34 H new ATOM 0 HD3 ARG A 20 -9.232 29.885 7.857 1.00 13.34 H new ATOM 0 HE ARG A 20 -6.458 29.801 7.105 1.00 55.30 H new ATOM 0 HH11 ARG A 20 -9.113 32.040 7.739 1.00 42.04 H new ATOM 0 HH12 ARG A 20 -8.042 33.347 8.253 1.00 42.04 H new ATOM 0 HH21 ARG A 20 -5.088 31.485 7.768 1.00 33.30 H new ATOM 0 HH22 ARG A 20 -5.773 33.035 8.269 1.00 33.30 H new ATOM 295 N LEU A 21 -11.427 25.624 4.747 1.00 11.15 N ATOM 296 CA LEU A 21 -12.649 25.145 4.112 1.00 63.44 C ATOM 297 C LEU A 21 -13.436 26.301 3.503 1.00 72.10 C ATOM 298 O LEU A 21 -14.044 26.160 2.442 1.00 73.50 O ATOM 299 CB LEU A 21 -13.518 24.402 5.128 1.00 25.10 C ATOM 300 CG LEU A 21 -12.872 23.195 5.809 1.00 32.30 C ATOM 301 CD1 LEU A 21 -13.703 22.747 7.001 1.00 55.31 C ATOM 302 CD2 LEU A 21 -12.698 22.054 4.817 1.00 3.20 C ATOM 0 H LEU A 21 -11.403 25.504 5.760 1.00 11.15 H new ATOM 0 HA LEU A 21 -12.368 24.459 3.312 1.00 63.44 H new ATOM 0 HB2 LEU A 21 -13.824 25.108 5.900 1.00 25.10 H new ATOM 0 HB3 LEU A 21 -14.425 24.067 4.624 1.00 25.10 H new ATOM 0 HG LEU A 21 -11.887 23.489 6.170 1.00 32.30 H new ATOM 0 HD11 LEU A 21 -13.228 21.887 7.473 1.00 55.31 H new ATOM 0 HD12 LEU A 21 -13.776 23.562 7.721 1.00 55.31 H new ATOM 0 HD13 LEU A 21 -14.702 22.470 6.665 1.00 55.31 H new ATOM 0 HD21 LEU A 21 -12.237 21.203 5.318 1.00 3.20 H new ATOM 0 HD22 LEU A 21 -13.672 21.760 4.426 1.00 3.20 H new ATOM 0 HD23 LEU A 21 -12.060 22.380 3.995 1.00 3.20 H new ATOM 314 N ARG A 22 -13.417 27.445 4.180 1.00 23.13 N ATOM 315 CA ARG A 22 -14.128 28.626 3.705 1.00 12.51 C ATOM 316 C ARG A 22 -13.174 29.806 3.547 1.00 33.24 C ATOM 317 O ARG A 22 -12.084 29.837 4.119 1.00 25.44 O ATOM 318 CB ARG A 22 -15.255 28.993 4.672 1.00 34.15 C ATOM 319 CG ARG A 22 -16.642 28.680 4.138 1.00 41.40 C ATOM 320 CD ARG A 22 -17.678 29.657 4.671 1.00 20.40 C ATOM 321 NE ARG A 22 -17.884 29.507 6.109 1.00 11.15 N ATOM 322 CZ ARG A 22 -18.888 30.069 6.771 1.00 65.33 C ATOM 323 NH1 ARG A 22 -19.775 30.816 6.127 1.00 44.35 N ATOM 324 NH2 ARG A 22 -19.009 29.886 8.079 1.00 35.20 N ATOM 0 H ARG A 22 -12.917 27.579 5.059 1.00 23.13 H new ATOM 0 HA ARG A 22 -14.557 28.394 2.730 1.00 12.51 H new ATOM 0 HB2 ARG A 22 -15.107 28.457 5.610 1.00 34.15 H new ATOM 0 HB3 ARG A 22 -15.194 30.057 4.900 1.00 34.15 H new ATOM 0 HG2 ARG A 22 -16.631 28.718 3.049 1.00 41.40 H new ATOM 0 HG3 ARG A 22 -16.920 27.664 4.418 1.00 41.40 H new ATOM 0 HD2 ARG A 22 -17.359 30.677 4.455 1.00 20.40 H new ATOM 0 HD3 ARG A 22 -18.624 29.502 4.151 1.00 20.40 H new ATOM 0 HE ARG A 22 -17.219 28.939 6.634 1.00 11.15 H new ATOM 0 HH11 ARG A 22 -19.686 30.960 5.121 1.00 44.35 H new ATOM 0 HH12 ARG A 22 -20.546 31.247 6.638 1.00 44.35 H new ATOM 0 HH21 ARG A 22 -18.330 29.312 8.579 1.00 35.20 H new ATOM 0 HH22 ARG A 22 -19.781 30.319 8.585 1.00 35.20 H new ATOM 338 N PRO A 23 -13.591 30.802 2.751 1.00 42.13 N ATOM 339 CA PRO A 23 -12.790 32.003 2.498 1.00 31.11 C ATOM 340 C PRO A 23 -12.685 32.899 3.728 1.00 15.30 C ATOM 341 O PRO A 23 -11.607 33.393 4.058 1.00 44.22 O ATOM 342 CB PRO A 23 -13.559 32.715 1.382 1.00 52.21 C ATOM 343 CG PRO A 23 -14.965 32.246 1.533 1.00 41.15 C ATOM 344 CD PRO A 23 -14.878 30.832 2.036 1.00 62.42 C ATOM 0 HA PRO A 23 -11.761 31.758 2.235 1.00 31.11 H new ATOM 0 HB2 PRO A 23 -13.490 33.798 1.482 1.00 52.21 H new ATOM 0 HB3 PRO A 23 -13.160 32.460 0.401 1.00 52.21 H new ATOM 0 HG2 PRO A 23 -15.514 32.876 2.233 1.00 41.15 H new ATOM 0 HG3 PRO A 23 -15.495 32.290 0.582 1.00 41.15 H new ATOM 0 HD2 PRO A 23 -15.710 30.589 2.697 1.00 62.42 H new ATOM 0 HD3 PRO A 23 -14.900 30.112 1.218 1.00 62.42 H new ATOM 352 N GLY A 24 -13.812 33.105 4.403 1.00 55.20 N ATOM 353 CA GLY A 24 -13.824 33.941 5.588 1.00 30.23 C ATOM 354 C GLY A 24 -14.079 33.148 6.855 1.00 43.32 C ATOM 355 O GLY A 24 -14.653 33.663 7.813 1.00 33.13 O ATOM 0 H GLY A 24 -14.717 32.708 4.150 1.00 55.20 H new ATOM 0 HA2 GLY A 24 -12.869 34.459 5.673 1.00 30.23 H new ATOM 0 HA3 GLY A 24 -14.593 34.706 5.481 1.00 30.23 H new ATOM 359 N GLY A 25 -13.655 31.888 6.858 1.00 12.44 N ATOM 360 CA GLY A 25 -13.852 31.041 8.021 1.00 23.22 C ATOM 361 C GLY A 25 -12.604 30.926 8.872 1.00 32.21 C ATOM 362 O GLY A 25 -11.581 31.543 8.576 1.00 54.25 O ATOM 0 H GLY A 25 -13.179 31.438 6.076 1.00 12.44 H new ATOM 0 HA2 GLY A 25 -14.665 31.443 8.626 1.00 23.22 H new ATOM 0 HA3 GLY A 25 -14.159 30.047 7.695 1.00 23.22 H new ATOM 366 N LYS A 26 -12.686 30.134 9.935 1.00 31.04 N ATOM 367 CA LYS A 26 -11.555 29.939 10.835 1.00 43.42 C ATOM 368 C LYS A 26 -11.138 28.473 10.874 1.00 55.55 C ATOM 369 O LYS A 26 -10.115 28.122 11.463 1.00 21.32 O ATOM 370 CB LYS A 26 -11.909 30.417 12.245 1.00 50.43 C ATOM 371 CG LYS A 26 -12.259 31.893 12.316 1.00 22.53 C ATOM 372 CD LYS A 26 -11.073 32.767 11.940 1.00 44.31 C ATOM 373 CE LYS A 26 -10.658 33.668 13.093 1.00 70.13 C ATOM 374 NZ LYS A 26 -9.197 33.957 13.071 1.00 2.21 N ATOM 0 H LYS A 26 -13.525 29.616 10.195 1.00 31.04 H new ATOM 0 HA LYS A 26 -10.718 30.527 10.459 1.00 43.42 H new ATOM 0 HB2 LYS A 26 -12.752 29.834 12.616 1.00 50.43 H new ATOM 0 HB3 LYS A 26 -11.067 30.219 12.909 1.00 50.43 H new ATOM 0 HG2 LYS A 26 -13.093 32.103 11.646 1.00 22.53 H new ATOM 0 HG3 LYS A 26 -12.590 32.141 13.325 1.00 22.53 H new ATOM 0 HD2 LYS A 26 -10.233 32.137 11.649 1.00 44.31 H new ATOM 0 HD3 LYS A 26 -11.329 33.377 11.074 1.00 44.31 H new ATOM 0 HE2 LYS A 26 -11.214 34.604 13.041 1.00 70.13 H new ATOM 0 HE3 LYS A 26 -10.920 33.193 14.038 1.00 70.13 H new ATOM 0 HZ1 LYS A 26 -8.953 34.574 13.872 1.00 2.21 H new ATOM 0 HZ2 LYS A 26 -8.666 33.066 13.146 1.00 2.21 H new ATOM 0 HZ3 LYS A 26 -8.951 34.433 12.180 1.00 2.21 H new ATOM 388 N LYS A 27 -11.935 27.618 10.241 1.00 72.32 N ATOM 389 CA LYS A 27 -11.647 26.189 10.200 1.00 24.24 C ATOM 390 C LYS A 27 -10.739 25.851 9.023 1.00 41.42 C ATOM 391 O LYS A 27 -11.171 25.864 7.870 1.00 33.24 O ATOM 392 CB LYS A 27 -12.948 25.389 10.102 1.00 41.32 C ATOM 393 CG LYS A 27 -12.834 23.974 10.641 1.00 13.11 C ATOM 394 CD LYS A 27 -14.112 23.185 10.412 1.00 1.02 C ATOM 395 CE LYS A 27 -14.466 22.333 11.621 1.00 32.23 C ATOM 396 NZ LYS A 27 -14.656 20.901 11.255 1.00 61.52 N ATOM 0 H LYS A 27 -12.786 27.890 9.749 1.00 72.32 H new ATOM 0 HA LYS A 27 -11.131 25.920 11.122 1.00 24.24 H new ATOM 0 HB2 LYS A 27 -13.730 25.915 10.649 1.00 41.32 H new ATOM 0 HB3 LYS A 27 -13.261 25.347 9.059 1.00 41.32 H new ATOM 0 HG2 LYS A 27 -12.000 23.466 10.157 1.00 13.11 H new ATOM 0 HG3 LYS A 27 -12.612 24.007 11.708 1.00 13.11 H new ATOM 0 HD2 LYS A 27 -14.931 23.871 10.197 1.00 1.02 H new ATOM 0 HD3 LYS A 27 -13.994 22.546 9.537 1.00 1.02 H new ATOM 0 HE2 LYS A 27 -13.676 22.415 12.367 1.00 32.23 H new ATOM 0 HE3 LYS A 27 -15.378 22.715 12.080 1.00 32.23 H new ATOM 0 HZ1 LYS A 27 -14.896 20.354 12.106 1.00 61.52 H new ATOM 0 HZ2 LYS A 27 -15.427 20.819 10.562 1.00 61.52 H new ATOM 0 HZ3 LYS A 27 -13.778 20.529 10.841 1.00 61.52 H new ATOM 410 N GLN A 28 -9.481 25.544 9.321 1.00 74.25 N ATOM 411 CA GLN A 28 -8.512 25.201 8.286 1.00 44.24 C ATOM 412 C GLN A 28 -8.577 23.714 7.952 1.00 53.02 C ATOM 413 O GLN A 28 -9.333 22.962 8.566 1.00 21.04 O ATOM 414 CB GLN A 28 -7.099 25.575 8.735 1.00 55.21 C ATOM 415 CG GLN A 28 -7.013 26.938 9.402 1.00 42.05 C ATOM 416 CD GLN A 28 -5.744 27.111 10.213 1.00 22.13 C ATOM 417 OE1 GLN A 28 -5.396 26.260 11.032 1.00 61.33 O ATOM 418 NE2 GLN A 28 -5.045 28.219 9.991 1.00 43.43 N ATOM 0 H GLN A 28 -9.108 25.526 10.270 1.00 74.25 H new ATOM 0 HA GLN A 28 -8.761 25.768 7.389 1.00 44.24 H new ATOM 0 HB2 GLN A 28 -6.735 24.817 9.428 1.00 55.21 H new ATOM 0 HB3 GLN A 28 -6.436 25.561 7.870 1.00 55.21 H new ATOM 0 HG2 GLN A 28 -7.061 27.715 8.639 1.00 42.05 H new ATOM 0 HG3 GLN A 28 -7.877 27.075 10.052 1.00 42.05 H new ATOM 0 HE21 GLN A 28 -5.370 28.898 9.303 1.00 43.43 H new ATOM 0 HE22 GLN A 28 -4.183 28.391 10.509 1.00 43.43 H new ATOM 427 N TYR A 29 -7.779 23.298 6.975 1.00 45.52 N ATOM 428 CA TYR A 29 -7.747 21.900 6.557 1.00 23.52 C ATOM 429 C TYR A 29 -6.856 21.077 7.481 1.00 52.42 C ATOM 430 O TYR A 29 -5.793 21.530 7.907 1.00 22.44 O ATOM 431 CB TYR A 29 -7.249 21.788 5.116 1.00 63.31 C ATOM 432 CG TYR A 29 -8.359 21.802 4.088 1.00 22.34 C ATOM 433 CD1 TYR A 29 -9.237 20.732 3.971 1.00 24.22 C ATOM 434 CD2 TYR A 29 -8.529 22.886 3.235 1.00 3.22 C ATOM 435 CE1 TYR A 29 -10.252 20.740 3.034 1.00 1.20 C ATOM 436 CE2 TYR A 29 -9.542 22.903 2.296 1.00 43.31 C ATOM 437 CZ TYR A 29 -10.401 21.828 2.200 1.00 72.10 C ATOM 438 OH TYR A 29 -11.411 21.841 1.265 1.00 40.33 O ATOM 0 H TYR A 29 -7.146 23.908 6.458 1.00 45.52 H new ATOM 0 HA TYR A 29 -8.762 21.506 6.614 1.00 23.52 H new ATOM 0 HB2 TYR A 29 -6.566 22.612 4.912 1.00 63.31 H new ATOM 0 HB3 TYR A 29 -6.678 20.866 5.009 1.00 63.31 H new ATOM 0 HD1 TYR A 29 -9.124 19.879 4.624 1.00 24.22 H new ATOM 0 HD2 TYR A 29 -7.858 23.729 3.307 1.00 3.22 H new ATOM 0 HE1 TYR A 29 -10.925 19.899 2.955 1.00 1.20 H new ATOM 0 HE2 TYR A 29 -9.661 23.753 1.641 1.00 43.31 H new ATOM 0 HH TYR A 29 -12.275 21.928 1.718 1.00 40.33 H new ATOM 448 N LYS A 30 -7.296 19.860 7.786 1.00 71.21 N ATOM 449 CA LYS A 30 -6.539 18.969 8.657 1.00 32.14 C ATOM 450 C LYS A 30 -6.724 17.513 8.240 1.00 61.34 C ATOM 451 O LYS A 30 -7.478 17.213 7.313 1.00 31.43 O ATOM 452 CB LYS A 30 -6.976 19.152 10.113 1.00 51.42 C ATOM 453 CG LYS A 30 -5.953 19.879 10.967 1.00 30.44 C ATOM 454 CD LYS A 30 -6.498 20.184 12.353 1.00 1.53 C ATOM 455 CE LYS A 30 -6.126 21.587 12.804 1.00 72.15 C ATOM 456 NZ LYS A 30 -7.011 22.071 13.899 1.00 35.04 N ATOM 0 H LYS A 30 -8.173 19.469 7.443 1.00 71.21 H new ATOM 0 HA LYS A 30 -5.483 19.224 8.566 1.00 32.14 H new ATOM 0 HB2 LYS A 30 -7.915 19.705 10.135 1.00 51.42 H new ATOM 0 HB3 LYS A 30 -7.173 18.173 10.550 1.00 51.42 H new ATOM 0 HG2 LYS A 30 -5.053 19.271 11.055 1.00 30.44 H new ATOM 0 HG3 LYS A 30 -5.663 20.808 10.477 1.00 30.44 H new ATOM 0 HD2 LYS A 30 -7.583 20.078 12.349 1.00 1.53 H new ATOM 0 HD3 LYS A 30 -6.109 19.457 13.066 1.00 1.53 H new ATOM 0 HE2 LYS A 30 -5.090 21.597 13.143 1.00 72.15 H new ATOM 0 HE3 LYS A 30 -6.190 22.270 11.957 1.00 72.15 H new ATOM 0 HZ1 LYS A 30 -6.725 23.031 14.178 1.00 35.04 H new ATOM 0 HZ2 LYS A 30 -7.997 22.086 13.568 1.00 35.04 H new ATOM 0 HZ3 LYS A 30 -6.931 21.434 14.717 1.00 35.04 H new ATOM 470 N LEU A 31 -6.032 16.612 8.928 1.00 35.22 N ATOM 471 CA LEU A 31 -6.121 15.188 8.630 1.00 44.24 C ATOM 472 C LEU A 31 -7.577 14.745 8.518 1.00 73.02 C ATOM 473 O LEU A 31 -7.943 13.999 7.608 1.00 15.13 O ATOM 474 CB LEU A 31 -5.411 14.374 9.712 1.00 11.43 C ATOM 475 CG LEU A 31 -3.959 13.991 9.421 1.00 61.04 C ATOM 476 CD1 LEU A 31 -3.157 13.917 10.711 1.00 75.32 C ATOM 477 CD2 LEU A 31 -3.896 12.666 8.675 1.00 5.54 C ATOM 0 H LEU A 31 -5.403 16.843 9.697 1.00 35.22 H new ATOM 0 HA LEU A 31 -5.631 15.012 7.672 1.00 44.24 H new ATOM 0 HB2 LEU A 31 -5.436 14.943 10.641 1.00 11.43 H new ATOM 0 HB3 LEU A 31 -5.980 13.460 9.882 1.00 11.43 H new ATOM 0 HG LEU A 31 -3.520 14.763 8.789 1.00 61.04 H new ATOM 0 HD11 LEU A 31 -2.127 13.643 10.484 1.00 75.32 H new ATOM 0 HD12 LEU A 31 -3.174 14.888 11.206 1.00 75.32 H new ATOM 0 HD13 LEU A 31 -3.595 13.167 11.369 1.00 75.32 H new ATOM 0 HD21 LEU A 31 -2.855 12.409 8.476 1.00 5.54 H new ATOM 0 HD22 LEU A 31 -4.353 11.885 9.282 1.00 5.54 H new ATOM 0 HD23 LEU A 31 -4.434 12.754 7.731 1.00 5.54 H new ATOM 489 N LYS A 32 -8.405 15.210 9.447 1.00 74.24 N ATOM 490 CA LYS A 32 -9.821 14.866 9.451 1.00 31.34 C ATOM 491 C LYS A 32 -10.367 14.786 8.029 1.00 15.04 C ATOM 492 O LYS A 32 -11.102 13.859 7.687 1.00 31.23 O ATOM 493 CB LYS A 32 -10.615 15.897 10.256 1.00 33.24 C ATOM 494 CG LYS A 32 -11.399 15.297 11.411 1.00 75.23 C ATOM 495 CD LYS A 32 -12.506 16.228 11.877 1.00 13.35 C ATOM 496 CE LYS A 32 -12.287 16.677 13.313 1.00 13.34 C ATOM 497 NZ LYS A 32 -12.540 15.576 14.284 1.00 24.55 N ATOM 0 H LYS A 32 -8.119 15.827 10.207 1.00 74.24 H new ATOM 0 HA LYS A 32 -9.929 13.887 9.918 1.00 31.34 H new ATOM 0 HB2 LYS A 32 -9.928 16.648 10.646 1.00 33.24 H new ATOM 0 HB3 LYS A 32 -11.306 16.413 9.589 1.00 33.24 H new ATOM 0 HG2 LYS A 32 -11.829 14.344 11.104 1.00 75.23 H new ATOM 0 HG3 LYS A 32 -10.724 15.089 12.241 1.00 75.23 H new ATOM 0 HD2 LYS A 32 -12.549 17.100 11.224 1.00 13.35 H new ATOM 0 HD3 LYS A 32 -13.468 15.721 11.795 1.00 13.35 H new ATOM 0 HE2 LYS A 32 -11.264 17.036 13.429 1.00 13.34 H new ATOM 0 HE3 LYS A 32 -12.946 17.516 13.536 1.00 13.34 H new ATOM 0 HZ1 LYS A 32 -12.380 15.923 15.251 1.00 24.55 H new ATOM 0 HZ2 LYS A 32 -13.523 15.250 14.191 1.00 24.55 H new ATOM 0 HZ3 LYS A 32 -11.894 14.785 14.088 1.00 24.55 H new ATOM 511 N HIS A 33 -10.002 15.762 7.204 1.00 34.12 N ATOM 512 CA HIS A 33 -10.453 15.801 5.818 1.00 75.41 C ATOM 513 C HIS A 33 -9.701 14.775 4.974 1.00 72.25 C ATOM 514 O HIS A 33 -10.340 14.181 4.105 1.00 4.31 O ATOM 515 CB HIS A 33 -10.255 17.201 5.234 1.00 23.10 C ATOM 516 CG HIS A 33 -10.786 18.294 6.109 1.00 22.04 C ATOM 517 ND1 HIS A 33 -9.975 19.209 6.746 1.00 25.13 N ATOM 518 CD2 HIS A 33 -12.055 18.618 6.451 1.00 62.43 C ATOM 519 CE1 HIS A 33 -10.722 20.047 7.442 1.00 32.23 C ATOM 520 NE2 HIS A 33 -11.989 19.711 7.279 1.00 10.21 N ATOM 0 H HIS A 33 -9.395 16.537 7.472 1.00 34.12 H new ATOM 0 HA HIS A 33 -11.515 15.554 5.800 1.00 75.41 H new ATOM 0 HB2 HIS A 33 -9.191 17.368 5.063 1.00 23.10 H new ATOM 0 HB3 HIS A 33 -10.746 17.253 4.262 1.00 23.10 H new ATOM 0 HD2 HIS A 33 -12.953 18.111 6.132 1.00 62.43 H new ATOM 0 HE1 HIS A 33 -10.358 20.868 8.043 1.00 32.23 H new ATOM 0 HE2 HIS A 33 -12.788 20.186 7.700 1.00 10.21 H new ATOM 528 N ILE A 34 -8.409 14.560 5.198 1.00 42.42 N ATOM 529 CA ILE A 34 -7.651 13.589 4.418 1.00 33.32 C ATOM 530 C ILE A 34 -8.110 12.166 4.715 1.00 2.14 C ATOM 531 O ILE A 34 -7.681 11.215 4.063 1.00 42.34 O ATOM 532 CB ILE A 34 -6.141 13.699 4.698 1.00 53.22 C ATOM 533 CG1 ILE A 34 -5.695 15.161 4.645 1.00 31.40 C ATOM 534 CG2 ILE A 34 -5.354 12.864 3.699 1.00 43.54 C ATOM 535 CD1 ILE A 34 -4.215 15.352 4.899 1.00 24.22 C ATOM 0 H ILE A 34 -7.866 15.044 5.912 1.00 42.42 H new ATOM 0 HA ILE A 34 -7.835 13.815 3.368 1.00 33.32 H new ATOM 0 HB ILE A 34 -5.944 13.314 5.699 1.00 53.22 H new ATOM 0 HG12 ILE A 34 -5.943 15.573 3.667 1.00 31.40 H new ATOM 0 HG13 ILE A 34 -6.259 15.731 5.383 1.00 31.40 H new ATOM 0 HG21 ILE A 34 -4.288 12.952 3.910 1.00 43.54 H new ATOM 0 HG22 ILE A 34 -5.655 11.820 3.781 1.00 43.54 H new ATOM 0 HG23 ILE A 34 -5.554 13.221 2.689 1.00 43.54 H new ATOM 0 HD11 ILE A 34 -3.971 16.413 4.846 1.00 24.22 H new ATOM 0 HD12 ILE A 34 -3.964 14.971 5.889 1.00 24.22 H new ATOM 0 HD13 ILE A 34 -3.644 14.810 4.145 1.00 24.22 H new ATOM 547 N VAL A 35 -8.987 12.027 5.704 1.00 2.24 N ATOM 548 CA VAL A 35 -9.508 10.720 6.088 1.00 72.23 C ATOM 549 C VAL A 35 -10.987 10.594 5.741 1.00 72.15 C ATOM 550 O VAL A 35 -11.458 9.519 5.374 1.00 4.54 O ATOM 551 CB VAL A 35 -9.322 10.462 7.595 1.00 52.42 C ATOM 552 CG1 VAL A 35 -9.817 9.072 7.963 1.00 51.52 C ATOM 553 CG2 VAL A 35 -7.863 10.639 7.989 1.00 64.04 C ATOM 0 H VAL A 35 -9.352 12.804 6.255 1.00 2.24 H new ATOM 0 HA VAL A 35 -8.942 9.977 5.527 1.00 72.23 H new ATOM 0 HB VAL A 35 -9.915 11.191 8.147 1.00 52.42 H new ATOM 0 HG11 VAL A 35 -9.678 8.907 9.031 1.00 51.52 H new ATOM 0 HG12 VAL A 35 -10.875 8.986 7.717 1.00 51.52 H new ATOM 0 HG13 VAL A 35 -9.253 8.325 7.404 1.00 51.52 H new ATOM 0 HG21 VAL A 35 -7.749 10.453 9.057 1.00 64.04 H new ATOM 0 HG22 VAL A 35 -7.247 9.934 7.430 1.00 64.04 H new ATOM 0 HG23 VAL A 35 -7.546 11.657 7.762 1.00 64.04 H new ATOM 563 N TRP A 36 -11.712 11.701 5.857 1.00 40.45 N ATOM 564 CA TRP A 36 -13.139 11.714 5.554 1.00 32.40 C ATOM 565 C TRP A 36 -13.379 11.558 4.057 1.00 23.14 C ATOM 566 O TRP A 36 -14.294 10.852 3.636 1.00 5.44 O ATOM 567 CB TRP A 36 -13.774 13.013 6.053 1.00 30.01 C ATOM 568 CG TRP A 36 -15.227 13.135 5.706 1.00 41.31 C ATOM 569 CD1 TRP A 36 -16.290 12.881 6.525 1.00 75.53 C ATOM 570 CD2 TRP A 36 -15.776 13.539 4.447 1.00 72.13 C ATOM 571 NE1 TRP A 36 -17.467 13.104 5.850 1.00 12.53 N ATOM 572 CE2 TRP A 36 -17.178 13.509 4.574 1.00 65.42 C ATOM 573 CE3 TRP A 36 -15.219 13.926 3.225 1.00 72.33 C ATOM 574 CZ2 TRP A 36 -18.028 13.850 3.526 1.00 42.43 C ATOM 575 CZ3 TRP A 36 -16.064 14.264 2.184 1.00 3.24 C ATOM 576 CH2 TRP A 36 -17.457 14.224 2.340 1.00 33.04 C ATOM 0 H TRP A 36 -11.336 12.600 6.158 1.00 40.45 H new ATOM 0 HA TRP A 36 -13.602 10.871 6.066 1.00 32.40 H new ATOM 0 HB2 TRP A 36 -13.660 13.072 7.135 1.00 30.01 H new ATOM 0 HB3 TRP A 36 -13.234 13.859 5.629 1.00 30.01 H new ATOM 0 HD1 TRP A 36 -16.217 12.553 7.551 1.00 75.53 H new ATOM 0 HE1 TRP A 36 -18.403 12.987 6.237 1.00 12.53 H new ATOM 0 HE3 TRP A 36 -14.147 13.960 3.096 1.00 72.33 H new ATOM 0 HZ2 TRP A 36 -19.101 13.820 3.645 1.00 42.43 H new ATOM 0 HZ3 TRP A 36 -15.644 14.564 1.235 1.00 3.24 H new ATOM 0 HH2 TRP A 36 -18.091 14.493 1.508 1.00 33.04 H new ATOM 587 N ALA A 37 -12.552 12.222 3.257 1.00 32.41 N ATOM 588 CA ALA A 37 -12.674 12.155 1.806 1.00 63.34 C ATOM 589 C ALA A 37 -12.361 10.754 1.293 1.00 31.21 C ATOM 590 O ALA A 37 -13.086 10.211 0.460 1.00 51.33 O ATOM 591 CB ALA A 37 -11.756 13.177 1.151 1.00 12.20 C ATOM 0 H ALA A 37 -11.790 12.813 3.589 1.00 32.41 H new ATOM 0 HA ALA A 37 -13.706 12.388 1.542 1.00 63.34 H new ATOM 0 HB1 ALA A 37 -11.858 13.116 0.067 1.00 12.20 H new ATOM 0 HB2 ALA A 37 -12.029 14.178 1.485 1.00 12.20 H new ATOM 0 HB3 ALA A 37 -10.723 12.970 1.431 1.00 12.20 H new ATOM 597 N SER A 38 -11.276 10.174 1.796 1.00 74.32 N ATOM 598 CA SER A 38 -10.863 8.837 1.384 1.00 4.45 C ATOM 599 C SER A 38 -11.885 7.794 1.826 1.00 21.11 C ATOM 600 O SER A 38 -12.163 6.836 1.104 1.00 64.21 O ATOM 601 CB SER A 38 -9.490 8.501 1.969 1.00 72.11 C ATOM 602 OG SER A 38 -9.376 7.114 2.238 1.00 31.25 O ATOM 0 H SER A 38 -10.667 10.609 2.489 1.00 74.32 H new ATOM 0 HA SER A 38 -10.800 8.822 0.296 1.00 4.45 H new ATOM 0 HB2 SER A 38 -8.710 8.805 1.271 1.00 72.11 H new ATOM 0 HB3 SER A 38 -9.334 9.067 2.887 1.00 72.11 H new ATOM 0 HG SER A 38 -8.489 6.925 2.610 1.00 31.25 H new ATOM 608 N ARG A 39 -12.441 7.987 3.018 1.00 44.15 N ATOM 609 CA ARG A 39 -13.432 7.063 3.558 1.00 60.54 C ATOM 610 C ARG A 39 -14.736 7.143 2.770 1.00 21.11 C ATOM 611 O ARG A 39 -15.544 6.215 2.793 1.00 74.21 O ATOM 612 CB ARG A 39 -13.695 7.369 5.034 1.00 42.24 C ATOM 613 CG ARG A 39 -12.705 6.708 5.978 1.00 14.25 C ATOM 614 CD ARG A 39 -13.109 6.900 7.431 1.00 4.44 C ATOM 615 NE ARG A 39 -13.322 5.625 8.113 1.00 34.41 N ATOM 616 CZ ARG A 39 -14.037 5.497 9.225 1.00 50.13 C ATOM 617 NH1 ARG A 39 -14.607 6.559 9.777 1.00 35.43 N ATOM 618 NH2 ARG A 39 -14.185 4.304 9.786 1.00 41.43 N ATOM 0 H ARG A 39 -12.222 8.775 3.628 1.00 44.15 H new ATOM 0 HA ARG A 39 -13.036 6.052 3.469 1.00 60.54 H new ATOM 0 HB2 ARG A 39 -13.662 8.448 5.184 1.00 42.24 H new ATOM 0 HB3 ARG A 39 -14.703 7.042 5.290 1.00 42.24 H new ATOM 0 HG2 ARG A 39 -12.642 5.643 5.754 1.00 14.25 H new ATOM 0 HG3 ARG A 39 -11.712 7.127 5.817 1.00 14.25 H new ATOM 0 HD2 ARG A 39 -12.335 7.464 7.951 1.00 4.44 H new ATOM 0 HD3 ARG A 39 -14.022 7.493 7.478 1.00 4.44 H new ATOM 0 HE ARG A 39 -12.898 4.788 7.713 1.00 34.41 H new ATOM 0 HH11 ARG A 39 -14.497 7.478 9.348 1.00 35.43 H new ATOM 0 HH12 ARG A 39 -15.155 6.457 10.631 1.00 35.43 H new ATOM 0 HH21 ARG A 39 -13.750 3.484 9.363 1.00 41.43 H new ATOM 0 HH22 ARG A 39 -14.734 4.207 10.640 1.00 41.43 H new ATOM 632 N GLU A 40 -14.935 8.259 2.075 1.00 53.13 N ATOM 633 CA GLU A 40 -16.142 8.459 1.281 1.00 35.31 C ATOM 634 C GLU A 40 -15.945 7.956 -0.146 1.00 14.12 C ATOM 635 O GLU A 40 -16.872 7.431 -0.764 1.00 13.54 O ATOM 636 CB GLU A 40 -16.525 9.940 1.263 1.00 62.24 C ATOM 637 CG GLU A 40 -18.024 10.179 1.198 1.00 63.31 C ATOM 638 CD GLU A 40 -18.734 9.784 2.478 1.00 63.04 C ATOM 639 OE1 GLU A 40 -18.094 9.830 3.549 1.00 55.53 O ATOM 640 OE2 GLU A 40 -19.930 9.429 2.409 1.00 33.43 O ATOM 0 H GLU A 40 -14.277 9.038 2.046 1.00 53.13 H new ATOM 0 HA GLU A 40 -16.948 7.887 1.740 1.00 35.31 H new ATOM 0 HB2 GLU A 40 -16.127 10.421 2.157 1.00 62.24 H new ATOM 0 HB3 GLU A 40 -16.051 10.419 0.406 1.00 62.24 H new ATOM 0 HG2 GLU A 40 -18.211 11.233 0.993 1.00 63.31 H new ATOM 0 HG3 GLU A 40 -18.442 9.613 0.365 1.00 63.31 H new ATOM 647 N LEU A 41 -14.732 8.120 -0.662 1.00 40.44 N ATOM 648 CA LEU A 41 -14.412 7.682 -2.017 1.00 2.01 C ATOM 649 C LEU A 41 -14.663 6.186 -2.180 1.00 24.12 C ATOM 650 O LEU A 41 -15.197 5.744 -3.196 1.00 50.45 O ATOM 651 CB LEU A 41 -12.955 8.004 -2.348 1.00 33.23 C ATOM 652 CG LEU A 41 -12.685 9.405 -2.899 1.00 20.23 C ATOM 653 CD1 LEU A 41 -11.195 9.619 -3.111 1.00 14.33 C ATOM 654 CD2 LEU A 41 -13.447 9.623 -4.197 1.00 62.34 C ATOM 0 H LEU A 41 -13.954 8.553 -0.164 1.00 40.44 H new ATOM 0 HA LEU A 41 -15.062 8.219 -2.708 1.00 2.01 H new ATOM 0 HB2 LEU A 41 -12.360 7.870 -1.445 1.00 33.23 H new ATOM 0 HB3 LEU A 41 -12.599 7.275 -3.075 1.00 33.23 H new ATOM 0 HG LEU A 41 -13.034 10.135 -2.168 1.00 20.23 H new ATOM 0 HD11 LEU A 41 -11.024 10.621 -3.503 1.00 14.33 H new ATOM 0 HD12 LEU A 41 -10.673 9.507 -2.161 1.00 14.33 H new ATOM 0 HD13 LEU A 41 -10.819 8.882 -3.821 1.00 14.33 H new ATOM 0 HD21 LEU A 41 -13.243 10.625 -4.575 1.00 62.34 H new ATOM 0 HD22 LEU A 41 -13.129 8.886 -4.934 1.00 62.34 H new ATOM 0 HD23 LEU A 41 -14.516 9.515 -4.014 1.00 62.34 H new ATOM 666 N GLU A 42 -14.277 5.413 -1.170 1.00 31.42 N ATOM 667 CA GLU A 42 -14.462 3.967 -1.201 1.00 53.45 C ATOM 668 C GLU A 42 -15.938 3.611 -1.357 1.00 53.52 C ATOM 669 O GLU A 42 -16.279 2.506 -1.779 1.00 50.41 O ATOM 670 CB GLU A 42 -13.904 3.332 0.074 1.00 41.53 C ATOM 671 CG GLU A 42 -12.716 2.416 -0.171 1.00 60.23 C ATOM 672 CD GLU A 42 -13.082 0.947 -0.077 1.00 32.24 C ATOM 673 OE1 GLU A 42 -14.088 0.544 -0.697 1.00 22.43 O ATOM 674 OE2 GLU A 42 -12.361 0.200 0.618 1.00 34.32 O ATOM 0 H GLU A 42 -13.834 5.764 -0.321 1.00 31.42 H new ATOM 0 HA GLU A 42 -13.919 3.575 -2.061 1.00 53.45 H new ATOM 0 HB2 GLU A 42 -13.606 4.122 0.763 1.00 41.53 H new ATOM 0 HB3 GLU A 42 -14.695 2.764 0.563 1.00 41.53 H new ATOM 0 HG2 GLU A 42 -12.302 2.621 -1.158 1.00 60.23 H new ATOM 0 HG3 GLU A 42 -11.934 2.639 0.555 1.00 60.23 H new ATOM 681 N ARG A 43 -16.808 4.554 -1.012 1.00 52.53 N ATOM 682 CA ARG A 43 -18.246 4.340 -1.112 1.00 13.32 C ATOM 683 C ARG A 43 -18.763 4.752 -2.486 1.00 41.54 C ATOM 684 O ARG A 43 -19.845 4.336 -2.905 1.00 33.32 O ATOM 685 CB ARG A 43 -18.977 5.126 -0.022 1.00 63.41 C ATOM 686 CG ARG A 43 -20.150 4.377 0.588 1.00 63.00 C ATOM 687 CD ARG A 43 -21.453 4.708 -0.123 1.00 22.24 C ATOM 688 NE ARG A 43 -21.854 3.654 -1.051 1.00 24.01 N ATOM 689 CZ ARG A 43 -22.449 2.528 -0.671 1.00 51.12 C ATOM 690 NH1 ARG A 43 -22.709 2.312 0.610 1.00 45.40 N ATOM 691 NH2 ARG A 43 -22.783 1.615 -1.575 1.00 23.51 N ATOM 0 H ARG A 43 -16.542 5.474 -0.661 1.00 52.53 H new ATOM 0 HA ARG A 43 -18.440 3.276 -0.975 1.00 13.32 H new ATOM 0 HB2 ARG A 43 -18.269 5.380 0.767 1.00 63.41 H new ATOM 0 HB3 ARG A 43 -19.336 6.065 -0.442 1.00 63.41 H new ATOM 0 HG2 ARG A 43 -19.966 3.304 0.533 1.00 63.00 H new ATOM 0 HG3 ARG A 43 -20.236 4.631 1.644 1.00 63.00 H new ATOM 0 HD2 ARG A 43 -22.240 4.859 0.615 1.00 22.24 H new ATOM 0 HD3 ARG A 43 -21.341 5.646 -0.667 1.00 22.24 H new ATOM 0 HE ARG A 43 -21.667 3.789 -2.045 1.00 24.01 H new ATOM 0 HH11 ARG A 43 -22.452 3.011 1.307 1.00 45.40 H new ATOM 0 HH12 ARG A 43 -23.166 1.447 0.899 1.00 45.40 H new ATOM 0 HH21 ARG A 43 -22.583 1.777 -2.562 1.00 23.51 H new ATOM 0 HH22 ARG A 43 -23.240 0.751 -1.283 1.00 23.51 H new ATOM 705 N PHE A 44 -17.985 5.572 -3.184 1.00 73.53 N ATOM 706 CA PHE A 44 -18.365 6.042 -4.511 1.00 71.32 C ATOM 707 C PHE A 44 -17.750 5.163 -5.596 1.00 60.35 C ATOM 708 O PHE A 44 -17.552 5.604 -6.729 1.00 3.31 O ATOM 709 CB PHE A 44 -17.926 7.495 -4.705 1.00 75.24 C ATOM 710 CG PHE A 44 -18.840 8.490 -4.050 1.00 74.24 C ATOM 711 CD1 PHE A 44 -20.162 8.602 -4.448 1.00 20.22 C ATOM 712 CD2 PHE A 44 -18.376 9.315 -3.038 1.00 73.23 C ATOM 713 CE1 PHE A 44 -21.006 9.517 -3.847 1.00 1.04 C ATOM 714 CE2 PHE A 44 -19.215 10.231 -2.433 1.00 42.42 C ATOM 715 CZ PHE A 44 -20.532 10.333 -2.838 1.00 62.01 C ATOM 0 H PHE A 44 -17.087 5.925 -2.853 1.00 73.53 H new ATOM 0 HA PHE A 44 -19.450 5.984 -4.593 1.00 71.32 H new ATOM 0 HB2 PHE A 44 -16.920 7.619 -4.304 1.00 75.24 H new ATOM 0 HB3 PHE A 44 -17.872 7.711 -5.772 1.00 75.24 H new ATOM 0 HD1 PHE A 44 -20.538 7.967 -5.237 1.00 20.22 H new ATOM 0 HD2 PHE A 44 -17.347 9.241 -2.719 1.00 73.23 H new ATOM 0 HE1 PHE A 44 -22.035 9.594 -4.166 1.00 1.04 H new ATOM 0 HE2 PHE A 44 -18.842 10.867 -1.644 1.00 42.42 H new ATOM 0 HZ PHE A 44 -21.189 11.049 -2.367 1.00 62.01 H new ATOM 725 N ALA A 45 -17.448 3.919 -5.242 1.00 2.33 N ATOM 726 CA ALA A 45 -16.857 2.978 -6.184 1.00 40.21 C ATOM 727 C ALA A 45 -15.509 3.479 -6.689 1.00 71.54 C ATOM 728 O ALA A 45 -15.008 3.019 -7.715 1.00 2.41 O ATOM 729 CB ALA A 45 -17.803 2.735 -7.351 1.00 24.41 C ATOM 0 H ALA A 45 -17.603 3.539 -4.308 1.00 2.33 H new ATOM 0 HA ALA A 45 -16.692 2.036 -5.662 1.00 40.21 H new ATOM 0 HB1 ALA A 45 -17.349 2.030 -8.047 1.00 24.41 H new ATOM 0 HB2 ALA A 45 -18.742 2.324 -6.979 1.00 24.41 H new ATOM 0 HB3 ALA A 45 -17.997 3.677 -7.864 1.00 24.41 H new ATOM 735 N VAL A 46 -14.926 4.428 -5.962 1.00 50.01 N ATOM 736 CA VAL A 46 -13.634 4.993 -6.336 1.00 43.40 C ATOM 737 C VAL A 46 -12.560 4.629 -5.319 1.00 12.24 C ATOM 738 O VAL A 46 -12.699 4.905 -4.128 1.00 63.41 O ATOM 739 CB VAL A 46 -13.708 6.525 -6.463 1.00 60.01 C ATOM 740 CG1 VAL A 46 -12.323 7.109 -6.701 1.00 4.25 C ATOM 741 CG2 VAL A 46 -14.661 6.922 -7.580 1.00 44.12 C ATOM 0 H VAL A 46 -15.328 4.821 -5.111 1.00 50.01 H new ATOM 0 HA VAL A 46 -13.371 4.568 -7.305 1.00 43.40 H new ATOM 0 HB VAL A 46 -14.092 6.931 -5.527 1.00 60.01 H new ATOM 0 HG11 VAL A 46 -12.395 8.193 -6.788 1.00 4.25 H new ATOM 0 HG12 VAL A 46 -11.672 6.855 -5.864 1.00 4.25 H new ATOM 0 HG13 VAL A 46 -11.908 6.698 -7.621 1.00 4.25 H new ATOM 0 HG21 VAL A 46 -14.701 8.009 -7.655 1.00 44.12 H new ATOM 0 HG22 VAL A 46 -14.309 6.506 -8.524 1.00 44.12 H new ATOM 0 HG23 VAL A 46 -15.657 6.537 -7.362 1.00 44.12 H new ATOM 751 N ASN A 47 -11.487 4.006 -5.796 1.00 11.24 N ATOM 752 CA ASN A 47 -10.387 3.604 -4.927 1.00 2.31 C ATOM 753 C ASN A 47 -9.699 4.823 -4.321 1.00 55.35 C ATOM 754 O ASN A 47 -9.441 5.820 -4.996 1.00 53.21 O ATOM 755 CB ASN A 47 -9.372 2.765 -5.707 1.00 61.52 C ATOM 756 CG ASN A 47 -9.974 1.481 -6.244 1.00 63.40 C ATOM 757 OD1 ASN A 47 -10.971 0.983 -5.720 1.00 15.20 O ATOM 758 ND2 ASN A 47 -9.370 0.938 -7.294 1.00 74.41 N ATOM 0 H ASN A 47 -11.356 3.769 -6.779 1.00 11.24 H new ATOM 0 HA ASN A 47 -10.799 3.002 -4.117 1.00 2.31 H new ATOM 0 HB2 ASN A 47 -8.979 3.353 -6.536 1.00 61.52 H new ATOM 0 HB3 ASN A 47 -8.529 2.525 -5.059 1.00 61.52 H new ATOM 0 HD21 ASN A 47 -9.730 0.074 -7.699 1.00 74.41 H new ATOM 0 HD22 ASN A 47 -8.546 1.385 -7.696 1.00 74.41 H new ATOM 765 N PRO A 48 -9.392 4.743 -3.018 1.00 13.10 N ATOM 766 CA PRO A 48 -8.727 5.829 -2.293 1.00 64.21 C ATOM 767 C PRO A 48 -7.276 6.012 -2.724 1.00 14.03 C ATOM 768 O PRO A 48 -6.604 6.951 -2.297 1.00 61.01 O ATOM 769 CB PRO A 48 -8.799 5.378 -0.832 1.00 14.30 C ATOM 770 CG PRO A 48 -8.895 3.892 -0.900 1.00 35.35 C ATOM 771 CD PRO A 48 -9.668 3.585 -2.152 1.00 1.30 C ATOM 0 HA PRO A 48 -9.201 6.793 -2.479 1.00 64.21 H new ATOM 0 HB2 PRO A 48 -7.916 5.693 -0.276 1.00 14.30 H new ATOM 0 HB3 PRO A 48 -9.664 5.808 -0.327 1.00 14.30 H new ATOM 0 HG2 PRO A 48 -7.905 3.438 -0.931 1.00 35.35 H new ATOM 0 HG3 PRO A 48 -9.401 3.493 -0.021 1.00 35.35 H new ATOM 0 HD2 PRO A 48 -9.337 2.653 -2.610 1.00 1.30 H new ATOM 0 HD3 PRO A 48 -10.734 3.480 -1.950 1.00 1.30 H new ATOM 779 N GLY A 49 -6.797 5.108 -3.573 1.00 54.03 N ATOM 780 CA GLY A 49 -5.428 5.188 -4.047 1.00 42.45 C ATOM 781 C GLY A 49 -5.228 6.301 -5.056 1.00 73.41 C ATOM 782 O GLY A 49 -4.098 6.720 -5.314 1.00 10.15 O ATOM 0 H GLY A 49 -7.333 4.322 -3.941 1.00 54.03 H new ATOM 0 HA2 GLY A 49 -4.762 5.347 -3.199 1.00 42.45 H new ATOM 0 HA3 GLY A 49 -5.147 4.237 -4.499 1.00 42.45 H new ATOM 786 N LEU A 50 -6.325 6.782 -5.630 1.00 1.20 N ATOM 787 CA LEU A 50 -6.265 7.853 -6.618 1.00 42.02 C ATOM 788 C LEU A 50 -5.962 9.191 -5.952 1.00 72.35 C ATOM 789 O LEU A 50 -5.752 10.200 -6.628 1.00 14.24 O ATOM 790 CB LEU A 50 -7.586 7.940 -7.385 1.00 62.43 C ATOM 791 CG LEU A 50 -8.144 6.618 -7.915 1.00 34.43 C ATOM 792 CD1 LEU A 50 -9.574 6.797 -8.396 1.00 43.31 C ATOM 793 CD2 LEU A 50 -7.265 6.079 -9.034 1.00 33.24 C ATOM 0 H LEU A 50 -7.267 6.447 -5.428 1.00 1.20 H new ATOM 0 HA LEU A 50 -5.460 7.625 -7.317 1.00 42.02 H new ATOM 0 HB2 LEU A 50 -8.333 8.391 -6.732 1.00 62.43 H new ATOM 0 HB3 LEU A 50 -7.449 8.617 -8.228 1.00 62.43 H new ATOM 0 HG LEU A 50 -8.145 5.893 -7.101 1.00 34.43 H new ATOM 0 HD11 LEU A 50 -9.954 5.846 -8.769 1.00 43.31 H new ATOM 0 HD12 LEU A 50 -10.196 7.137 -7.568 1.00 43.31 H new ATOM 0 HD13 LEU A 50 -9.599 7.537 -9.196 1.00 43.31 H new ATOM 0 HD21 LEU A 50 -7.677 5.138 -9.399 1.00 33.24 H new ATOM 0 HD22 LEU A 50 -7.231 6.801 -9.850 1.00 33.24 H new ATOM 0 HD23 LEU A 50 -6.257 5.911 -8.656 1.00 33.24 H new ATOM 805 N LEU A 51 -5.939 9.194 -4.624 1.00 54.10 N ATOM 806 CA LEU A 51 -5.659 10.408 -3.865 1.00 74.13 C ATOM 807 C LEU A 51 -4.156 10.641 -3.747 1.00 71.24 C ATOM 808 O LEU A 51 -3.711 11.757 -3.482 1.00 54.04 O ATOM 809 CB LEU A 51 -6.283 10.319 -2.472 1.00 44.21 C ATOM 810 CG LEU A 51 -7.809 10.395 -2.415 1.00 42.15 C ATOM 811 CD1 LEU A 51 -8.304 10.140 -1.000 1.00 13.14 C ATOM 812 CD2 LEU A 51 -8.295 11.748 -2.915 1.00 54.11 C ATOM 0 H LEU A 51 -6.111 8.369 -4.050 1.00 54.10 H new ATOM 0 HA LEU A 51 -6.099 11.250 -4.399 1.00 74.13 H new ATOM 0 HB2 LEU A 51 -5.968 9.381 -2.014 1.00 44.21 H new ATOM 0 HB3 LEU A 51 -5.876 11.125 -1.861 1.00 44.21 H new ATOM 0 HG LEU A 51 -8.216 9.621 -3.066 1.00 42.15 H new ATOM 0 HD11 LEU A 51 -9.392 10.198 -0.979 1.00 13.14 H new ATOM 0 HD12 LEU A 51 -7.987 9.148 -0.677 1.00 13.14 H new ATOM 0 HD13 LEU A 51 -7.888 10.891 -0.328 1.00 13.14 H new ATOM 0 HD21 LEU A 51 -9.383 11.784 -2.867 1.00 54.11 H new ATOM 0 HD22 LEU A 51 -7.878 12.538 -2.290 1.00 54.11 H new ATOM 0 HD23 LEU A 51 -7.972 11.892 -3.946 1.00 54.11 H new ATOM 824 N GLU A 52 -3.380 9.581 -3.948 1.00 10.52 N ATOM 825 CA GLU A 52 -1.927 9.671 -3.865 1.00 12.11 C ATOM 826 C GLU A 52 -1.315 9.892 -5.246 1.00 10.44 C ATOM 827 O GLU A 52 -0.178 9.495 -5.506 1.00 24.13 O ATOM 828 CB GLU A 52 -1.349 8.401 -3.236 1.00 71.42 C ATOM 829 CG GLU A 52 -1.551 7.157 -4.084 1.00 12.53 C ATOM 830 CD GLU A 52 -0.373 6.205 -4.013 1.00 2.04 C ATOM 831 OE1 GLU A 52 0.625 6.444 -4.724 1.00 53.54 O ATOM 832 OE2 GLU A 52 -0.448 5.222 -3.246 1.00 21.54 O ATOM 0 H GLU A 52 -3.733 8.650 -4.169 1.00 10.52 H new ATOM 0 HA GLU A 52 -1.678 10.525 -3.235 1.00 12.11 H new ATOM 0 HB2 GLU A 52 -0.282 8.544 -3.064 1.00 71.42 H new ATOM 0 HB3 GLU A 52 -1.811 8.245 -2.261 1.00 71.42 H new ATOM 0 HG2 GLU A 52 -2.452 6.640 -3.754 1.00 12.53 H new ATOM 0 HG3 GLU A 52 -1.714 7.451 -5.121 1.00 12.53 H new ATOM 839 N THR A 53 -2.079 10.525 -6.130 1.00 64.40 N ATOM 840 CA THR A 53 -1.615 10.797 -7.485 1.00 60.21 C ATOM 841 C THR A 53 -2.475 11.861 -8.158 1.00 33.15 C ATOM 842 O THR A 53 -3.647 11.630 -8.452 1.00 62.41 O ATOM 843 CB THR A 53 -1.627 9.522 -8.349 1.00 22.31 C ATOM 844 OG1 THR A 53 -1.938 9.854 -9.707 1.00 44.01 O ATOM 845 CG2 THR A 53 -2.642 8.519 -7.820 1.00 73.13 C ATOM 0 H THR A 53 -3.022 10.859 -5.932 1.00 64.40 H new ATOM 0 HA THR A 53 -0.591 11.161 -7.401 1.00 60.21 H new ATOM 0 HB THR A 53 -0.636 9.069 -8.304 1.00 22.31 H new ATOM 0 HG1 THR A 53 -1.942 9.038 -10.250 1.00 44.01 H new ATOM 0 HG21 THR A 53 -2.632 7.627 -8.446 1.00 73.13 H new ATOM 0 HG22 THR A 53 -2.385 8.247 -6.796 1.00 73.13 H new ATOM 0 HG23 THR A 53 -3.637 8.964 -7.838 1.00 73.13 H new ATOM 853 N SER A 54 -1.884 13.028 -8.398 1.00 51.25 N ATOM 854 CA SER A 54 -2.597 14.130 -9.034 1.00 2.51 C ATOM 855 C SER A 54 -3.310 13.657 -10.298 1.00 4.25 C ATOM 856 O SER A 54 -4.415 14.104 -10.601 1.00 64.34 O ATOM 857 CB SER A 54 -1.628 15.262 -9.376 1.00 30.53 C ATOM 858 OG SER A 54 -1.380 15.319 -10.769 1.00 72.52 O ATOM 0 H SER A 54 -0.913 13.234 -8.162 1.00 51.25 H new ATOM 0 HA SER A 54 -3.344 14.500 -8.332 1.00 2.51 H new ATOM 0 HB2 SER A 54 -2.041 16.212 -9.038 1.00 30.53 H new ATOM 0 HB3 SER A 54 -0.689 15.115 -8.842 1.00 30.53 H new ATOM 0 HG SER A 54 -0.759 16.052 -10.961 1.00 72.52 H new ATOM 864 N GLU A 55 -2.669 12.750 -11.029 1.00 31.34 N ATOM 865 CA GLU A 55 -3.242 12.219 -12.259 1.00 51.30 C ATOM 866 C GLU A 55 -4.487 11.387 -11.965 1.00 43.01 C ATOM 867 O GLU A 55 -5.423 11.348 -12.762 1.00 51.34 O ATOM 868 CB GLU A 55 -2.211 11.366 -13.001 1.00 75.01 C ATOM 869 CG GLU A 55 -2.597 11.056 -14.438 1.00 33.11 C ATOM 870 CD GLU A 55 -1.416 11.122 -15.386 1.00 31.10 C ATOM 871 OE1 GLU A 55 -0.576 10.199 -15.354 1.00 44.41 O ATOM 872 OE2 GLU A 55 -1.331 12.098 -16.161 1.00 23.21 O ATOM 0 H GLU A 55 -1.754 12.368 -10.790 1.00 31.34 H new ATOM 0 HA GLU A 55 -3.529 13.061 -12.889 1.00 51.30 H new ATOM 0 HB2 GLU A 55 -1.252 11.884 -12.995 1.00 75.01 H new ATOM 0 HB3 GLU A 55 -2.071 10.429 -12.461 1.00 75.01 H new ATOM 0 HG2 GLU A 55 -3.040 10.061 -14.485 1.00 33.11 H new ATOM 0 HG3 GLU A 55 -3.361 11.761 -14.765 1.00 33.11 H new ATOM 879 N GLY A 56 -4.490 10.725 -10.812 1.00 40.54 N ATOM 880 CA GLY A 56 -5.624 9.902 -10.432 1.00 22.30 C ATOM 881 C GLY A 56 -6.707 10.697 -9.729 1.00 60.00 C ATOM 882 O GLY A 56 -7.871 10.294 -9.713 1.00 64.30 O ATOM 0 H GLY A 56 -3.728 10.744 -10.134 1.00 40.54 H new ATOM 0 HA2 GLY A 56 -6.042 9.432 -11.322 1.00 22.30 H new ATOM 0 HA3 GLY A 56 -5.284 9.100 -9.778 1.00 22.30 H new ATOM 886 N CYS A 57 -6.325 11.827 -9.146 1.00 35.42 N ATOM 887 CA CYS A 57 -7.270 12.679 -8.435 1.00 65.34 C ATOM 888 C CYS A 57 -8.218 13.370 -9.410 1.00 43.34 C ATOM 889 O CYS A 57 -9.327 13.762 -9.042 1.00 73.32 O ATOM 890 CB CYS A 57 -6.524 13.724 -7.604 1.00 51.34 C ATOM 891 SG CYS A 57 -6.737 13.535 -5.819 1.00 33.35 S ATOM 0 H CYS A 57 -5.366 12.175 -9.152 1.00 35.42 H new ATOM 0 HA CYS A 57 -7.858 12.049 -7.768 1.00 65.34 H new ATOM 0 HB2 CYS A 57 -5.461 13.670 -7.840 1.00 51.34 H new ATOM 0 HB3 CYS A 57 -6.865 14.717 -7.897 1.00 51.34 H new ATOM 0 HG CYS A 57 -5.611 13.784 -5.219 1.00 33.35 H new ATOM 897 N ARG A 58 -7.776 13.517 -10.655 1.00 31.12 N ATOM 898 CA ARG A 58 -8.583 14.163 -11.682 1.00 11.24 C ATOM 899 C ARG A 58 -9.801 13.312 -12.031 1.00 31.53 C ATOM 900 O ARG A 58 -10.894 13.836 -12.242 1.00 63.52 O ATOM 901 CB ARG A 58 -7.745 14.412 -12.937 1.00 72.40 C ATOM 902 CG ARG A 58 -7.766 15.858 -13.407 1.00 3.13 C ATOM 903 CD ARG A 58 -6.864 16.066 -14.612 1.00 53.45 C ATOM 904 NE ARG A 58 -7.501 16.888 -15.638 1.00 5.43 N ATOM 905 CZ ARG A 58 -7.660 18.202 -15.532 1.00 44.13 C ATOM 906 NH1 ARG A 58 -7.229 18.840 -14.453 1.00 24.31 N ATOM 907 NH2 ARG A 58 -8.250 18.880 -16.508 1.00 61.42 N ATOM 0 H ARG A 58 -6.862 13.197 -10.976 1.00 31.12 H new ATOM 0 HA ARG A 58 -8.929 15.119 -11.289 1.00 11.24 H new ATOM 0 HB2 ARG A 58 -6.714 14.118 -12.739 1.00 72.40 H new ATOM 0 HB3 ARG A 58 -8.110 13.772 -13.740 1.00 72.40 H new ATOM 0 HG2 ARG A 58 -8.787 16.144 -13.662 1.00 3.13 H new ATOM 0 HG3 ARG A 58 -7.446 16.510 -12.595 1.00 3.13 H new ATOM 0 HD2 ARG A 58 -5.936 16.540 -14.292 1.00 53.45 H new ATOM 0 HD3 ARG A 58 -6.598 15.098 -15.037 1.00 53.45 H new ATOM 0 HE ARG A 58 -7.842 16.427 -16.482 1.00 5.43 H new ATOM 0 HH11 ARG A 58 -6.774 18.322 -13.702 1.00 24.31 H new ATOM 0 HH12 ARG A 58 -7.352 19.849 -14.374 1.00 24.31 H new ATOM 0 HH21 ARG A 58 -8.582 18.392 -17.340 1.00 61.42 H new ATOM 0 HH22 ARG A 58 -8.372 19.889 -16.426 1.00 61.42 H new ATOM 921 N GLN A 59 -9.603 12.000 -12.089 1.00 35.14 N ATOM 922 CA GLN A 59 -10.685 11.078 -12.413 1.00 71.13 C ATOM 923 C GLN A 59 -11.837 11.222 -11.425 1.00 5.15 C ATOM 924 O GLN A 59 -12.982 10.894 -11.739 1.00 51.43 O ATOM 925 CB GLN A 59 -10.173 9.637 -12.412 1.00 51.21 C ATOM 926 CG GLN A 59 -10.991 8.700 -13.286 1.00 54.24 C ATOM 927 CD GLN A 59 -10.174 7.541 -13.823 1.00 73.12 C ATOM 928 OE1 GLN A 59 -9.440 7.684 -14.802 1.00 3.43 O ATOM 929 NE2 GLN A 59 -10.296 6.383 -13.183 1.00 32.25 N ATOM 0 H GLN A 59 -8.704 11.551 -11.916 1.00 35.14 H new ATOM 0 HA GLN A 59 -11.052 11.324 -13.409 1.00 71.13 H new ATOM 0 HB2 GLN A 59 -9.138 9.628 -12.753 1.00 51.21 H new ATOM 0 HB3 GLN A 59 -10.175 9.260 -11.389 1.00 51.21 H new ATOM 0 HG2 GLN A 59 -11.830 8.311 -12.709 1.00 54.24 H new ATOM 0 HG3 GLN A 59 -11.411 9.261 -14.121 1.00 54.24 H new ATOM 0 HE21 GLN A 59 -10.916 6.309 -12.376 1.00 32.25 H new ATOM 0 HE22 GLN A 59 -9.770 5.568 -13.499 1.00 32.25 H new ATOM 938 N ILE A 60 -11.527 11.713 -10.230 1.00 63.42 N ATOM 939 CA ILE A 60 -12.538 11.900 -9.196 1.00 74.51 C ATOM 940 C ILE A 60 -13.378 13.144 -9.468 1.00 31.23 C ATOM 941 O ILE A 60 -14.600 13.064 -9.596 1.00 72.15 O ATOM 942 CB ILE A 60 -11.898 12.021 -7.800 1.00 43.13 C ATOM 943 CG1 ILE A 60 -10.817 10.955 -7.616 1.00 53.43 C ATOM 944 CG2 ILE A 60 -12.961 11.896 -6.719 1.00 21.34 C ATOM 945 CD1 ILE A 60 -10.108 11.036 -6.282 1.00 61.43 C ATOM 0 H ILE A 60 -10.585 11.988 -9.954 1.00 63.42 H new ATOM 0 HA ILE A 60 -13.180 11.019 -9.218 1.00 74.51 H new ATOM 0 HB ILE A 60 -11.432 13.003 -7.714 1.00 43.13 H new ATOM 0 HG12 ILE A 60 -11.270 9.969 -7.718 1.00 53.43 H new ATOM 0 HG13 ILE A 60 -10.082 11.053 -8.415 1.00 53.43 H new ATOM 0 HG21 ILE A 60 -12.494 11.983 -5.738 1.00 21.34 H new ATOM 0 HG22 ILE A 60 -13.699 12.688 -6.841 1.00 21.34 H new ATOM 0 HG23 ILE A 60 -13.452 10.926 -6.802 1.00 21.34 H new ATOM 0 HD11 ILE A 60 -9.355 10.250 -6.222 1.00 61.43 H new ATOM 0 HD12 ILE A 60 -9.626 12.009 -6.185 1.00 61.43 H new ATOM 0 HD13 ILE A 60 -10.832 10.908 -5.477 1.00 61.43 H new ATOM 957 N LEU A 61 -12.714 14.292 -9.555 1.00 0.42 N ATOM 958 CA LEU A 61 -13.400 15.553 -9.813 1.00 71.11 C ATOM 959 C LEU A 61 -14.114 15.519 -11.160 1.00 63.10 C ATOM 960 O LEU A 61 -15.236 16.009 -11.292 1.00 53.11 O ATOM 961 CB LEU A 61 -12.403 16.713 -9.781 1.00 23.01 C ATOM 962 CG LEU A 61 -11.549 16.831 -8.517 1.00 44.12 C ATOM 963 CD1 LEU A 61 -10.247 17.556 -8.819 1.00 11.11 C ATOM 964 CD2 LEU A 61 -12.320 17.547 -7.418 1.00 74.05 C ATOM 0 H LEU A 61 -11.703 14.375 -9.451 1.00 0.42 H new ATOM 0 HA LEU A 61 -14.145 15.700 -9.031 1.00 71.11 H new ATOM 0 HB2 LEU A 61 -11.736 16.616 -10.638 1.00 23.01 H new ATOM 0 HB3 LEU A 61 -12.955 17.644 -9.910 1.00 23.01 H new ATOM 0 HG LEU A 61 -11.308 15.827 -8.168 1.00 44.12 H new ATOM 0 HD11 LEU A 61 -9.652 17.631 -7.908 1.00 11.11 H new ATOM 0 HD12 LEU A 61 -9.688 17.001 -9.573 1.00 11.11 H new ATOM 0 HD13 LEU A 61 -10.466 18.556 -9.193 1.00 11.11 H new ATOM 0 HD21 LEU A 61 -11.697 17.622 -6.526 1.00 74.05 H new ATOM 0 HD22 LEU A 61 -12.591 18.547 -7.756 1.00 74.05 H new ATOM 0 HD23 LEU A 61 -13.224 16.986 -7.183 1.00 74.05 H new ATOM 976 N GLY A 62 -13.458 14.934 -12.158 1.00 30.02 N ATOM 977 CA GLY A 62 -14.047 14.844 -13.481 1.00 25.40 C ATOM 978 C GLY A 62 -15.314 14.011 -13.497 1.00 21.44 C ATOM 979 O GLY A 62 -16.077 14.052 -14.460 1.00 43.41 O ATOM 0 H GLY A 62 -12.529 14.521 -12.073 1.00 30.02 H new ATOM 0 HA2 GLY A 62 -14.271 15.847 -13.845 1.00 25.40 H new ATOM 0 HA3 GLY A 62 -13.322 14.410 -14.169 1.00 25.40 H new ATOM 983 N GLN A 63 -15.535 13.254 -12.427 1.00 21.21 N ATOM 984 CA GLN A 63 -16.717 12.406 -12.324 1.00 31.25 C ATOM 985 C GLN A 63 -17.855 13.142 -11.626 1.00 64.31 C ATOM 986 O GLN A 63 -18.981 13.179 -12.124 1.00 25.31 O ATOM 987 CB GLN A 63 -16.383 11.121 -11.564 1.00 1.31 C ATOM 988 CG GLN A 63 -16.194 9.912 -12.466 1.00 70.21 C ATOM 989 CD GLN A 63 -15.882 8.648 -11.691 1.00 13.14 C ATOM 990 OE1 GLN A 63 -16.775 7.862 -11.376 1.00 21.24 O ATOM 991 NE2 GLN A 63 -14.607 8.445 -11.377 1.00 33.02 N ATOM 0 H GLN A 63 -14.912 13.210 -11.620 1.00 21.21 H new ATOM 0 HA GLN A 63 -17.039 12.150 -13.333 1.00 31.25 H new ATOM 0 HB2 GLN A 63 -15.473 11.277 -10.985 1.00 1.31 H new ATOM 0 HB3 GLN A 63 -17.182 10.912 -10.852 1.00 1.31 H new ATOM 0 HG2 GLN A 63 -17.098 9.758 -13.055 1.00 70.21 H new ATOM 0 HG3 GLN A 63 -15.385 10.111 -13.169 1.00 70.21 H new ATOM 0 HE21 GLN A 63 -13.898 9.123 -11.658 1.00 33.02 H new ATOM 0 HE22 GLN A 63 -14.337 7.611 -10.855 1.00 33.02 H new ATOM 1000 N LEU A 64 -17.557 13.726 -10.471 1.00 75.42 N ATOM 1001 CA LEU A 64 -18.555 14.462 -9.703 1.00 44.24 C ATOM 1002 C LEU A 64 -18.891 15.789 -10.378 1.00 1.45 C ATOM 1003 O LEU A 64 -20.020 16.270 -10.291 1.00 62.22 O ATOM 1004 CB LEU A 64 -18.053 14.712 -8.281 1.00 53.32 C ATOM 1005 CG LEU A 64 -17.379 13.526 -7.590 1.00 2.33 C ATOM 1006 CD1 LEU A 64 -16.765 13.958 -6.266 1.00 23.20 C ATOM 1007 CD2 LEU A 64 -18.376 12.397 -7.374 1.00 73.23 C ATOM 0 H LEU A 64 -16.630 13.704 -10.045 1.00 75.42 H new ATOM 0 HA LEU A 64 -19.461 13.858 -9.659 1.00 44.24 H new ATOM 0 HB2 LEU A 64 -17.346 15.541 -8.307 1.00 53.32 H new ATOM 0 HB3 LEU A 64 -18.897 15.031 -7.670 1.00 53.32 H new ATOM 0 HG LEU A 64 -16.581 13.160 -8.236 1.00 2.33 H new ATOM 0 HD11 LEU A 64 -16.290 13.101 -5.788 1.00 23.20 H new ATOM 0 HD12 LEU A 64 -16.019 14.733 -6.446 1.00 23.20 H new ATOM 0 HD13 LEU A 64 -17.545 14.350 -5.614 1.00 23.20 H new ATOM 0 HD21 LEU A 64 -17.879 11.562 -6.881 1.00 73.23 H new ATOM 0 HD22 LEU A 64 -19.196 12.751 -6.749 1.00 73.23 H new ATOM 0 HD23 LEU A 64 -18.768 12.069 -8.337 1.00 73.23 H new ATOM 1019 N GLN A 65 -17.904 16.371 -11.049 1.00 74.32 N ATOM 1020 CA GLN A 65 -18.095 17.642 -11.739 1.00 20.15 C ATOM 1021 C GLN A 65 -19.392 17.635 -12.541 1.00 32.34 C ATOM 1022 O GLN A 65 -20.294 18.443 -12.316 1.00 35.51 O ATOM 1023 CB GLN A 65 -16.911 17.928 -12.663 1.00 72.13 C ATOM 1024 CG GLN A 65 -17.277 18.758 -13.883 1.00 25.01 C ATOM 1025 CD GLN A 65 -16.062 19.319 -14.594 1.00 22.23 C ATOM 1026 OE1 GLN A 65 -15.832 20.529 -14.596 1.00 3.33 O ATOM 1027 NE2 GLN A 65 -15.275 18.441 -15.203 1.00 43.54 N ATOM 0 H GLN A 65 -16.964 15.984 -11.130 1.00 74.32 H new ATOM 0 HA GLN A 65 -18.158 18.429 -10.988 1.00 20.15 H new ATOM 0 HB2 GLN A 65 -16.138 18.449 -12.098 1.00 72.13 H new ATOM 0 HB3 GLN A 65 -16.482 16.982 -12.993 1.00 72.13 H new ATOM 0 HG2 GLN A 65 -17.848 18.142 -14.578 1.00 25.01 H new ATOM 0 HG3 GLN A 65 -17.926 19.579 -13.578 1.00 25.01 H new ATOM 0 HE21 GLN A 65 -15.503 17.447 -15.176 1.00 43.54 H new ATOM 0 HE22 GLN A 65 -14.442 18.760 -15.698 1.00 43.54 H new ATOM 1036 N PRO A 66 -19.490 16.703 -13.500 1.00 20.30 N ATOM 1037 CA PRO A 66 -20.673 16.569 -14.355 1.00 44.25 C ATOM 1038 C PRO A 66 -21.886 16.049 -13.591 1.00 35.51 C ATOM 1039 O PRO A 66 -22.993 15.995 -14.127 1.00 14.53 O ATOM 1040 CB PRO A 66 -20.233 15.553 -15.413 1.00 3.43 C ATOM 1041 CG PRO A 66 -19.160 14.759 -14.751 1.00 42.22 C ATOM 1042 CD PRO A 66 -18.454 15.707 -13.823 1.00 22.31 C ATOM 0 HA PRO A 66 -20.987 17.528 -14.768 1.00 44.25 H new ATOM 0 HB2 PRO A 66 -21.063 14.917 -15.721 1.00 3.43 H new ATOM 0 HB3 PRO A 66 -19.862 16.050 -16.309 1.00 3.43 H new ATOM 0 HG2 PRO A 66 -19.581 13.917 -14.202 1.00 42.22 H new ATOM 0 HG3 PRO A 66 -18.469 14.347 -15.487 1.00 42.22 H new ATOM 0 HD2 PRO A 66 -18.092 15.199 -12.929 1.00 22.31 H new ATOM 0 HD3 PRO A 66 -17.589 16.167 -14.300 1.00 22.31 H new ATOM 1050 N SER A 67 -21.671 15.672 -12.335 1.00 55.23 N ATOM 1051 CA SER A 67 -22.745 15.154 -11.497 1.00 43.41 C ATOM 1052 C SER A 67 -23.159 16.181 -10.447 1.00 12.22 C ATOM 1053 O SER A 67 -24.060 15.936 -9.643 1.00 63.23 O ATOM 1054 CB SER A 67 -22.309 13.857 -10.813 1.00 42.14 C ATOM 1055 OG SER A 67 -22.134 12.816 -11.760 1.00 11.13 O ATOM 0 H SER A 67 -20.762 15.716 -11.875 1.00 55.23 H new ATOM 0 HA SER A 67 -23.603 14.948 -12.137 1.00 43.41 H new ATOM 0 HB2 SER A 67 -21.377 14.022 -10.273 1.00 42.14 H new ATOM 0 HB3 SER A 67 -23.056 13.561 -10.076 1.00 42.14 H new ATOM 0 HG SER A 67 -21.189 12.761 -12.015 1.00 11.13 H new ATOM 1061 N LEU A 68 -22.494 17.331 -10.460 1.00 13.45 N ATOM 1062 CA LEU A 68 -22.790 18.397 -9.509 1.00 13.10 C ATOM 1063 C LEU A 68 -24.220 18.900 -9.684 1.00 14.11 C ATOM 1064 O LEU A 68 -24.783 19.519 -8.782 1.00 64.14 O ATOM 1065 CB LEU A 68 -21.805 19.554 -9.686 1.00 53.53 C ATOM 1066 CG LEU A 68 -20.413 19.347 -9.088 1.00 72.52 C ATOM 1067 CD1 LEU A 68 -19.415 20.308 -9.716 1.00 54.10 C ATOM 1068 CD2 LEU A 68 -20.450 19.526 -7.577 1.00 43.24 C ATOM 0 H LEU A 68 -21.746 17.549 -11.119 1.00 13.45 H new ATOM 0 HA LEU A 68 -22.687 17.992 -8.502 1.00 13.10 H new ATOM 0 HB2 LEU A 68 -21.695 19.751 -10.752 1.00 53.53 H new ATOM 0 HB3 LEU A 68 -22.241 20.448 -9.240 1.00 53.53 H new ATOM 0 HG LEU A 68 -20.092 18.328 -9.305 1.00 72.52 H new ATOM 0 HD11 LEU A 68 -18.430 20.147 -9.279 1.00 54.10 H new ATOM 0 HD12 LEU A 68 -19.368 20.133 -10.791 1.00 54.10 H new ATOM 0 HD13 LEU A 68 -19.731 21.334 -9.529 1.00 54.10 H new ATOM 0 HD21 LEU A 68 -19.451 19.375 -7.168 1.00 43.24 H new ATOM 0 HD22 LEU A 68 -20.791 20.533 -7.338 1.00 43.24 H new ATOM 0 HD23 LEU A 68 -21.134 18.798 -7.141 1.00 43.24 H new ATOM 1080 N GLN A 69 -24.799 18.626 -10.848 1.00 63.43 N ATOM 1081 CA GLN A 69 -26.163 19.050 -11.140 1.00 23.54 C ATOM 1082 C GLN A 69 -27.120 18.602 -10.039 1.00 22.22 C ATOM 1083 O GLN A 69 -27.962 19.374 -9.580 1.00 34.31 O ATOM 1084 CB GLN A 69 -26.618 18.488 -12.487 1.00 40.21 C ATOM 1085 CG GLN A 69 -28.016 18.930 -12.891 1.00 30.50 C ATOM 1086 CD GLN A 69 -28.218 20.426 -12.750 1.00 74.11 C ATOM 1087 OE1 GLN A 69 -27.739 21.208 -13.572 1.00 71.43 O ATOM 1088 NE2 GLN A 69 -28.929 20.832 -11.706 1.00 1.35 N ATOM 0 H GLN A 69 -24.345 18.113 -11.604 1.00 63.43 H new ATOM 0 HA GLN A 69 -26.175 20.139 -11.187 1.00 23.54 H new ATOM 0 HB2 GLN A 69 -25.912 18.797 -13.257 1.00 40.21 H new ATOM 0 HB3 GLN A 69 -26.588 17.399 -12.446 1.00 40.21 H new ATOM 0 HG2 GLN A 69 -28.201 18.638 -13.925 1.00 30.50 H new ATOM 0 HG3 GLN A 69 -28.750 18.408 -12.276 1.00 30.50 H new ATOM 0 HE21 GLN A 69 -29.307 20.149 -11.050 1.00 1.35 H new ATOM 0 HE22 GLN A 69 -29.098 21.827 -11.560 1.00 1.35 H new ATOM 1097 N THR A 70 -26.985 17.348 -9.619 1.00 1.32 N ATOM 1098 CA THR A 70 -27.837 16.795 -8.574 1.00 32.20 C ATOM 1099 C THR A 70 -27.016 16.036 -7.539 1.00 11.33 C ATOM 1100 O THR A 70 -27.321 14.891 -7.208 1.00 74.12 O ATOM 1101 CB THR A 70 -28.904 15.852 -9.159 1.00 42.14 C ATOM 1102 OG1 THR A 70 -29.231 16.250 -10.496 1.00 3.32 O ATOM 1103 CG2 THR A 70 -30.161 15.856 -8.301 1.00 70.33 C ATOM 0 H THR A 70 -26.293 16.696 -9.987 1.00 1.32 H new ATOM 0 HA THR A 70 -28.333 17.638 -8.093 1.00 32.20 H new ATOM 0 HB THR A 70 -28.495 14.842 -9.171 1.00 42.14 H new ATOM 0 HG1 THR A 70 -29.909 15.644 -10.861 1.00 3.32 H new ATOM 0 HG21 THR A 70 -30.900 15.182 -8.735 1.00 70.33 H new ATOM 0 HG22 THR A 70 -29.914 15.523 -7.293 1.00 70.33 H new ATOM 0 HG23 THR A 70 -30.570 16.865 -8.260 1.00 70.33 H new ATOM 1111 N GLY A 71 -25.971 16.682 -7.029 1.00 42.21 N ATOM 1112 CA GLY A 71 -25.122 16.051 -6.035 1.00 74.42 C ATOM 1113 C GLY A 71 -25.464 16.481 -4.622 1.00 71.31 C ATOM 1114 O GLY A 71 -25.529 17.675 -4.329 1.00 31.12 O ATOM 0 H GLY A 71 -25.698 17.630 -7.286 1.00 42.21 H new ATOM 0 HA2 GLY A 71 -25.218 14.968 -6.115 1.00 74.42 H new ATOM 0 HA3 GLY A 71 -24.080 16.295 -6.244 1.00 74.42 H new ATOM 1118 N SER A 72 -25.686 15.507 -3.745 1.00 55.14 N ATOM 1119 CA SER A 72 -26.029 15.791 -2.358 1.00 22.40 C ATOM 1120 C SER A 72 -24.827 16.354 -1.605 1.00 74.43 C ATOM 1121 O SER A 72 -23.771 16.592 -2.191 1.00 62.33 O ATOM 1122 CB SER A 72 -26.531 14.524 -1.664 1.00 13.01 C ATOM 1123 OG SER A 72 -25.473 13.849 -1.005 1.00 74.45 O ATOM 0 H SER A 72 -25.634 14.514 -3.972 1.00 55.14 H new ATOM 0 HA SER A 72 -26.822 16.538 -2.352 1.00 22.40 H new ATOM 0 HB2 SER A 72 -27.306 14.784 -0.943 1.00 13.01 H new ATOM 0 HB3 SER A 72 -26.988 13.861 -2.398 1.00 13.01 H new ATOM 0 HG SER A 72 -25.821 13.044 -0.568 1.00 74.45 H new ATOM 1129 N GLU A 73 -24.997 16.566 -0.304 1.00 41.32 N ATOM 1130 CA GLU A 73 -23.927 17.102 0.529 1.00 11.33 C ATOM 1131 C GLU A 73 -22.686 16.215 0.458 1.00 24.24 C ATOM 1132 O GLU A 73 -21.561 16.708 0.404 1.00 14.30 O ATOM 1133 CB GLU A 73 -24.394 17.230 1.980 1.00 1.31 C ATOM 1134 CG GLU A 73 -24.834 15.912 2.596 1.00 74.42 C ATOM 1135 CD GLU A 73 -25.536 16.096 3.927 1.00 3.42 C ATOM 1136 OE1 GLU A 73 -26.324 17.057 4.053 1.00 51.00 O ATOM 1137 OE2 GLU A 73 -25.299 15.281 4.842 1.00 10.52 O ATOM 0 H GLU A 73 -25.865 16.375 0.196 1.00 41.32 H new ATOM 0 HA GLU A 73 -23.668 18.091 0.151 1.00 11.33 H new ATOM 0 HB2 GLU A 73 -23.584 17.649 2.578 1.00 1.31 H new ATOM 0 HB3 GLU A 73 -25.222 17.937 2.025 1.00 1.31 H new ATOM 0 HG2 GLU A 73 -25.502 15.397 1.905 1.00 74.42 H new ATOM 0 HG3 GLU A 73 -23.963 15.271 2.734 1.00 74.42 H new ATOM 1144 N GLU A 74 -22.904 14.903 0.461 1.00 23.41 N ATOM 1145 CA GLU A 74 -21.804 13.948 0.400 1.00 43.21 C ATOM 1146 C GLU A 74 -20.973 14.155 -0.864 1.00 3.33 C ATOM 1147 O GLU A 74 -19.746 14.057 -0.836 1.00 32.13 O ATOM 1148 CB GLU A 74 -22.341 12.516 0.442 1.00 41.51 C ATOM 1149 CG GLU A 74 -21.538 11.590 1.341 1.00 52.23 C ATOM 1150 CD GLU A 74 -22.220 11.330 2.669 1.00 3.43 C ATOM 1151 OE1 GLU A 74 -23.441 11.069 2.667 1.00 22.34 O ATOM 1152 OE2 GLU A 74 -21.534 11.387 3.711 1.00 71.12 O ATOM 0 H GLU A 74 -23.830 14.478 0.505 1.00 23.41 H new ATOM 0 HA GLU A 74 -21.163 14.114 1.266 1.00 43.21 H new ATOM 0 HB2 GLU A 74 -23.375 12.535 0.785 1.00 41.51 H new ATOM 0 HB3 GLU A 74 -22.348 12.110 -0.570 1.00 41.51 H new ATOM 0 HG2 GLU A 74 -21.377 10.642 0.828 1.00 52.23 H new ATOM 0 HG3 GLU A 74 -20.555 12.026 1.521 1.00 52.23 H new ATOM 1159 N LEU A 75 -21.652 14.439 -1.970 1.00 50.00 N ATOM 1160 CA LEU A 75 -20.978 14.659 -3.245 1.00 1.10 C ATOM 1161 C LEU A 75 -20.315 16.032 -3.280 1.00 72.43 C ATOM 1162 O LEU A 75 -19.194 16.179 -3.768 1.00 32.44 O ATOM 1163 CB LEU A 75 -21.974 14.531 -4.399 1.00 60.42 C ATOM 1164 CG LEU A 75 -21.395 14.067 -5.736 1.00 4.21 C ATOM 1165 CD1 LEU A 75 -21.837 12.644 -6.044 1.00 71.40 C ATOM 1166 CD2 LEU A 75 -21.813 15.011 -6.855 1.00 32.23 C ATOM 0 H LEU A 75 -22.668 14.522 -2.010 1.00 50.00 H new ATOM 0 HA LEU A 75 -20.204 13.899 -3.355 1.00 1.10 H new ATOM 0 HB2 LEU A 75 -22.756 13.832 -4.102 1.00 60.42 H new ATOM 0 HB3 LEU A 75 -22.452 15.499 -4.549 1.00 60.42 H new ATOM 0 HG LEU A 75 -20.308 14.081 -5.663 1.00 4.21 H new ATOM 0 HD11 LEU A 75 -21.415 12.331 -6.999 1.00 71.40 H new ATOM 0 HD12 LEU A 75 -21.488 11.976 -5.257 1.00 71.40 H new ATOM 0 HD13 LEU A 75 -22.925 12.604 -6.097 1.00 71.40 H new ATOM 0 HD21 LEU A 75 -21.392 14.665 -7.799 1.00 32.23 H new ATOM 0 HD22 LEU A 75 -22.900 15.030 -6.928 1.00 32.23 H new ATOM 0 HD23 LEU A 75 -21.446 16.015 -6.640 1.00 32.23 H new ATOM 1178 N ARG A 76 -21.014 17.035 -2.758 1.00 63.42 N ATOM 1179 CA ARG A 76 -20.492 18.396 -2.730 1.00 23.42 C ATOM 1180 C ARG A 76 -19.213 18.471 -1.900 1.00 63.33 C ATOM 1181 O ARG A 76 -18.204 19.014 -2.347 1.00 32.23 O ATOM 1182 CB ARG A 76 -21.539 19.354 -2.158 1.00 63.12 C ATOM 1183 CG ARG A 76 -21.261 20.816 -2.467 1.00 51.35 C ATOM 1184 CD ARG A 76 -22.367 21.717 -1.942 1.00 33.14 C ATOM 1185 NE ARG A 76 -21.903 22.575 -0.854 1.00 44.04 N ATOM 1186 CZ ARG A 76 -22.711 23.336 -0.123 1.00 51.21 C ATOM 1187 NH1 ARG A 76 -24.015 23.344 -0.362 1.00 1.44 N ATOM 1188 NH2 ARG A 76 -22.214 24.089 0.850 1.00 43.44 N ATOM 0 H ARG A 76 -21.943 16.931 -2.349 1.00 63.42 H new ATOM 0 HA ARG A 76 -20.259 18.690 -3.753 1.00 23.42 H new ATOM 0 HB2 ARG A 76 -22.518 19.087 -2.555 1.00 63.12 H new ATOM 0 HB3 ARG A 76 -21.587 19.223 -1.077 1.00 63.12 H new ATOM 0 HG2 ARG A 76 -20.310 21.108 -2.022 1.00 51.35 H new ATOM 0 HG3 ARG A 76 -21.163 20.949 -3.544 1.00 51.35 H new ATOM 0 HD2 ARG A 76 -22.747 22.336 -2.755 1.00 33.14 H new ATOM 0 HD3 ARG A 76 -23.198 21.105 -1.592 1.00 33.14 H new ATOM 0 HE ARG A 76 -20.905 22.591 -0.644 1.00 44.04 H new ATOM 0 HH11 ARG A 76 -24.400 22.765 -1.108 1.00 1.44 H new ATOM 0 HH12 ARG A 76 -24.633 23.929 0.200 1.00 1.44 H new ATOM 0 HH21 ARG A 76 -21.211 24.084 1.037 1.00 43.44 H new ATOM 0 HH22 ARG A 76 -22.835 24.673 1.411 1.00 43.44 H new ATOM 1202 N SER A 77 -19.265 17.922 -0.691 1.00 44.11 N ATOM 1203 CA SER A 77 -18.113 17.929 0.202 1.00 75.22 C ATOM 1204 C SER A 77 -16.886 17.342 -0.489 1.00 3.13 C ATOM 1205 O SER A 77 -15.796 17.912 -0.435 1.00 70.22 O ATOM 1206 CB SER A 77 -18.422 17.140 1.476 1.00 64.05 C ATOM 1207 OG SER A 77 -19.184 17.917 2.384 1.00 13.33 O ATOM 0 H SER A 77 -20.093 17.467 -0.307 1.00 44.11 H new ATOM 0 HA SER A 77 -17.898 18.964 0.468 1.00 75.22 H new ATOM 0 HB2 SER A 77 -18.969 16.232 1.222 1.00 64.05 H new ATOM 0 HB3 SER A 77 -17.491 16.829 1.950 1.00 64.05 H new ATOM 0 HG SER A 77 -19.370 17.390 3.189 1.00 13.33 H new ATOM 1213 N LEU A 78 -17.072 16.196 -1.137 1.00 34.51 N ATOM 1214 CA LEU A 78 -15.981 15.529 -1.840 1.00 31.24 C ATOM 1215 C LEU A 78 -15.324 16.471 -2.844 1.00 0.32 C ATOM 1216 O LEU A 78 -14.116 16.703 -2.793 1.00 13.30 O ATOM 1217 CB LEU A 78 -16.499 14.281 -2.557 1.00 12.12 C ATOM 1218 CG LEU A 78 -16.181 12.943 -1.888 1.00 61.21 C ATOM 1219 CD1 LEU A 78 -14.680 12.775 -1.715 1.00 63.40 C ATOM 1220 CD2 LEU A 78 -16.890 12.836 -0.545 1.00 22.41 C ATOM 0 H LEU A 78 -17.967 15.710 -1.190 1.00 34.51 H new ATOM 0 HA LEU A 78 -15.233 15.234 -1.104 1.00 31.24 H new ATOM 0 HB2 LEU A 78 -17.581 14.366 -2.657 1.00 12.12 H new ATOM 0 HB3 LEU A 78 -16.086 14.268 -3.566 1.00 12.12 H new ATOM 0 HG LEU A 78 -16.543 12.142 -2.533 1.00 61.21 H new ATOM 0 HD11 LEU A 78 -14.474 11.817 -1.237 1.00 63.40 H new ATOM 0 HD12 LEU A 78 -14.196 12.806 -2.691 1.00 63.40 H new ATOM 0 HD13 LEU A 78 -14.293 13.582 -1.092 1.00 63.40 H new ATOM 0 HD21 LEU A 78 -16.652 11.878 -0.083 1.00 22.41 H new ATOM 0 HD22 LEU A 78 -16.559 13.645 0.107 1.00 22.41 H new ATOM 0 HD23 LEU A 78 -17.967 12.909 -0.695 1.00 22.41 H new ATOM 1232 N TYR A 79 -16.126 17.011 -3.753 1.00 71.12 N ATOM 1233 CA TYR A 79 -15.622 17.927 -4.770 1.00 21.33 C ATOM 1234 C TYR A 79 -14.787 19.036 -4.137 1.00 34.24 C ATOM 1235 O TYR A 79 -13.690 19.344 -4.601 1.00 53.44 O ATOM 1236 CB TYR A 79 -16.783 18.535 -5.558 1.00 62.42 C ATOM 1237 CG TYR A 79 -16.400 18.984 -6.950 1.00 74.04 C ATOM 1238 CD1 TYR A 79 -15.876 18.086 -7.872 1.00 50.20 C ATOM 1239 CD2 TYR A 79 -16.560 20.308 -7.344 1.00 52.54 C ATOM 1240 CE1 TYR A 79 -15.523 18.491 -9.145 1.00 22.21 C ATOM 1241 CE2 TYR A 79 -16.211 20.721 -8.616 1.00 24.35 C ATOM 1242 CZ TYR A 79 -15.693 19.810 -9.512 1.00 13.21 C ATOM 1243 OH TYR A 79 -15.343 20.219 -10.778 1.00 11.54 O ATOM 0 H TYR A 79 -17.128 16.831 -3.807 1.00 71.12 H new ATOM 0 HA TYR A 79 -14.986 17.361 -5.451 1.00 21.33 H new ATOM 0 HB2 TYR A 79 -17.586 17.801 -5.630 1.00 62.42 H new ATOM 0 HB3 TYR A 79 -17.179 19.388 -5.006 1.00 62.42 H new ATOM 0 HD1 TYR A 79 -15.742 17.053 -7.588 1.00 50.20 H new ATOM 0 HD2 TYR A 79 -16.964 21.025 -6.645 1.00 52.54 H new ATOM 0 HE1 TYR A 79 -15.117 17.779 -9.848 1.00 22.21 H new ATOM 0 HE2 TYR A 79 -16.343 21.753 -8.907 1.00 24.35 H new ATOM 0 HH TYR A 79 -15.527 21.177 -10.875 1.00 11.54 H new ATOM 1253 N ASN A 80 -15.314 19.632 -3.073 1.00 21.41 N ATOM 1254 CA ASN A 80 -14.618 20.707 -2.376 1.00 11.04 C ATOM 1255 C ASN A 80 -13.255 20.238 -1.876 1.00 23.51 C ATOM 1256 O ASN A 80 -12.225 20.830 -2.200 1.00 75.34 O ATOM 1257 CB ASN A 80 -15.459 21.209 -1.200 1.00 25.22 C ATOM 1258 CG ASN A 80 -16.252 22.454 -1.546 1.00 43.23 C ATOM 1259 OD1 ASN A 80 -17.001 22.474 -2.523 1.00 21.14 O ATOM 1260 ND2 ASN A 80 -16.091 23.500 -0.744 1.00 71.15 N ATOM 0 H ASN A 80 -16.221 19.389 -2.674 1.00 21.41 H new ATOM 0 HA ASN A 80 -14.466 21.524 -3.081 1.00 11.04 H new ATOM 0 HB2 ASN A 80 -16.144 20.422 -0.884 1.00 25.22 H new ATOM 0 HB3 ASN A 80 -14.805 21.421 -0.354 1.00 25.22 H new ATOM 0 HD21 ASN A 80 -16.599 24.365 -0.926 1.00 71.15 H new ATOM 0 HD22 ASN A 80 -15.459 23.438 0.054 1.00 71.15 H new ATOM 1267 N THR A 81 -13.255 19.170 -1.085 1.00 45.25 N ATOM 1268 CA THR A 81 -12.020 18.621 -0.541 1.00 23.11 C ATOM 1269 C THR A 81 -11.065 18.206 -1.654 1.00 32.34 C ATOM 1270 O THR A 81 -9.961 18.739 -1.768 1.00 42.14 O ATOM 1271 CB THR A 81 -12.296 17.405 0.363 1.00 11.42 C ATOM 1272 OG1 THR A 81 -13.105 17.796 1.478 1.00 2.12 O ATOM 1273 CG2 THR A 81 -10.995 16.797 0.864 1.00 14.21 C ATOM 0 H THR A 81 -14.098 18.668 -0.807 1.00 45.25 H new ATOM 0 HA THR A 81 -11.559 19.410 0.054 1.00 23.11 H new ATOM 0 HB THR A 81 -12.826 16.656 -0.226 1.00 11.42 H new ATOM 0 HG1 THR A 81 -13.277 17.017 2.047 1.00 2.12 H new ATOM 0 HG21 THR A 81 -11.215 15.940 1.500 1.00 14.21 H new ATOM 0 HG22 THR A 81 -10.394 16.473 0.014 1.00 14.21 H new ATOM 0 HG23 THR A 81 -10.442 17.542 1.437 1.00 14.21 H new ATOM 1281 N ILE A 82 -11.497 17.253 -2.473 1.00 14.43 N ATOM 1282 CA ILE A 82 -10.680 16.768 -3.578 1.00 54.24 C ATOM 1283 C ILE A 82 -10.058 17.926 -4.350 1.00 71.13 C ATOM 1284 O ILE A 82 -8.878 17.889 -4.701 1.00 24.52 O ATOM 1285 CB ILE A 82 -11.503 15.902 -4.550 1.00 3.45 C ATOM 1286 CG1 ILE A 82 -12.101 14.700 -3.813 1.00 63.35 C ATOM 1287 CG2 ILE A 82 -10.638 15.440 -5.712 1.00 21.12 C ATOM 1288 CD1 ILE A 82 -13.334 14.134 -4.484 1.00 41.31 C ATOM 0 H ILE A 82 -12.408 16.802 -2.392 1.00 14.43 H new ATOM 0 HA ILE A 82 -9.889 16.158 -3.141 1.00 54.24 H new ATOM 0 HB ILE A 82 -12.319 16.505 -4.949 1.00 3.45 H new ATOM 0 HG12 ILE A 82 -11.346 13.917 -3.738 1.00 63.35 H new ATOM 0 HG13 ILE A 82 -12.355 14.997 -2.795 1.00 63.35 H new ATOM 0 HG21 ILE A 82 -11.235 14.829 -6.389 1.00 21.12 H new ATOM 0 HG22 ILE A 82 -10.255 16.308 -6.248 1.00 21.12 H new ATOM 0 HG23 ILE A 82 -9.803 14.851 -5.332 1.00 21.12 H new ATOM 0 HD11 ILE A 82 -13.704 13.286 -3.909 1.00 41.31 H new ATOM 0 HD12 ILE A 82 -14.105 14.902 -4.535 1.00 41.31 H new ATOM 0 HD13 ILE A 82 -13.081 13.806 -5.492 1.00 41.31 H new ATOM 1300 N ALA A 83 -10.858 18.954 -4.612 1.00 24.13 N ATOM 1301 CA ALA A 83 -10.386 20.125 -5.340 1.00 33.35 C ATOM 1302 C ALA A 83 -9.114 20.686 -4.710 1.00 52.32 C ATOM 1303 O ALA A 83 -8.119 20.915 -5.397 1.00 70.14 O ATOM 1304 CB ALA A 83 -11.469 21.192 -5.384 1.00 2.33 C ATOM 0 H ALA A 83 -11.837 18.999 -4.330 1.00 24.13 H new ATOM 0 HA ALA A 83 -10.152 19.818 -6.360 1.00 33.35 H new ATOM 0 HB1 ALA A 83 -11.102 22.061 -5.931 1.00 2.33 H new ATOM 0 HB2 ALA A 83 -12.352 20.794 -5.885 1.00 2.33 H new ATOM 0 HB3 ALA A 83 -11.731 21.487 -4.368 1.00 2.33 H new ATOM 1310 N VAL A 84 -9.155 20.904 -3.400 1.00 71.42 N ATOM 1311 CA VAL A 84 -8.006 21.437 -2.678 1.00 33.43 C ATOM 1312 C VAL A 84 -6.820 20.482 -2.747 1.00 44.22 C ATOM 1313 O VAL A 84 -5.683 20.899 -2.971 1.00 24.34 O ATOM 1314 CB VAL A 84 -8.347 21.708 -1.201 1.00 72.40 C ATOM 1315 CG1 VAL A 84 -7.137 22.265 -0.466 1.00 1.41 C ATOM 1316 CG2 VAL A 84 -9.530 22.659 -1.092 1.00 41.23 C ATOM 0 H VAL A 84 -9.971 20.720 -2.817 1.00 71.42 H new ATOM 0 HA VAL A 84 -7.739 22.377 -3.160 1.00 33.43 H new ATOM 0 HB VAL A 84 -8.624 20.764 -0.732 1.00 72.40 H new ATOM 0 HG11 VAL A 84 -7.398 22.450 0.576 1.00 1.41 H new ATOM 0 HG12 VAL A 84 -6.320 21.545 -0.513 1.00 1.41 H new ATOM 0 HG13 VAL A 84 -6.826 23.199 -0.933 1.00 1.41 H new ATOM 0 HG21 VAL A 84 -9.757 22.839 -0.041 1.00 41.23 H new ATOM 0 HG22 VAL A 84 -9.283 23.604 -1.577 1.00 41.23 H new ATOM 0 HG23 VAL A 84 -10.399 22.217 -1.580 1.00 41.23 H new ATOM 1326 N LEU A 85 -7.093 19.195 -2.557 1.00 21.13 N ATOM 1327 CA LEU A 85 -6.049 18.178 -2.598 1.00 3.30 C ATOM 1328 C LEU A 85 -5.359 18.161 -3.958 1.00 30.00 C ATOM 1329 O LEU A 85 -4.147 18.357 -4.053 1.00 13.44 O ATOM 1330 CB LEU A 85 -6.641 16.799 -2.297 1.00 61.22 C ATOM 1331 CG LEU A 85 -5.669 15.759 -1.740 1.00 12.43 C ATOM 1332 CD1 LEU A 85 -5.539 15.904 -0.231 1.00 62.24 C ATOM 1333 CD2 LEU A 85 -6.125 14.354 -2.104 1.00 1.21 C ATOM 0 H LEU A 85 -8.028 18.832 -2.373 1.00 21.13 H new ATOM 0 HA LEU A 85 -5.307 18.423 -1.838 1.00 3.30 H new ATOM 0 HB2 LEU A 85 -7.456 16.923 -1.584 1.00 61.22 H new ATOM 0 HB3 LEU A 85 -7.077 16.405 -3.215 1.00 61.22 H new ATOM 0 HG LEU A 85 -4.690 15.929 -2.187 1.00 12.43 H new ATOM 0 HD11 LEU A 85 -4.843 15.155 0.148 1.00 62.24 H new ATOM 0 HD12 LEU A 85 -5.166 16.900 0.008 1.00 62.24 H new ATOM 0 HD13 LEU A 85 -6.515 15.761 0.234 1.00 62.24 H new ATOM 0 HD21 LEU A 85 -5.421 13.627 -1.699 1.00 1.21 H new ATOM 0 HD22 LEU A 85 -7.115 14.173 -1.685 1.00 1.21 H new ATOM 0 HD23 LEU A 85 -6.166 14.254 -3.189 1.00 1.21 H new ATOM 1345 N TYR A 86 -6.138 17.929 -5.008 1.00 54.21 N ATOM 1346 CA TYR A 86 -5.601 17.888 -6.363 1.00 43.34 C ATOM 1347 C TYR A 86 -4.734 19.111 -6.645 1.00 13.05 C ATOM 1348 O TYR A 86 -3.612 18.990 -7.138 1.00 10.13 O ATOM 1349 CB TYR A 86 -6.739 17.810 -7.382 1.00 41.05 C ATOM 1350 CG TYR A 86 -6.285 18.001 -8.813 1.00 42.41 C ATOM 1351 CD1 TYR A 86 -6.186 19.270 -9.367 1.00 61.33 C ATOM 1352 CD2 TYR A 86 -5.956 16.910 -9.608 1.00 60.24 C ATOM 1353 CE1 TYR A 86 -5.772 19.449 -10.673 1.00 63.34 C ATOM 1354 CE2 TYR A 86 -5.541 17.080 -10.915 1.00 14.12 C ATOM 1355 CZ TYR A 86 -5.450 18.351 -11.443 1.00 0.22 C ATOM 1356 OH TYR A 86 -5.038 18.524 -12.744 1.00 40.13 O ATOM 0 H TYR A 86 -7.143 17.766 -4.947 1.00 54.21 H new ATOM 0 HA TYR A 86 -4.979 16.997 -6.452 1.00 43.34 H new ATOM 0 HB2 TYR A 86 -7.231 16.841 -7.292 1.00 41.05 H new ATOM 0 HB3 TYR A 86 -7.484 18.569 -7.141 1.00 41.05 H new ATOM 0 HD1 TYR A 86 -6.437 20.132 -8.767 1.00 61.33 H new ATOM 0 HD2 TYR A 86 -6.026 15.913 -9.198 1.00 60.24 H new ATOM 0 HE1 TYR A 86 -5.701 20.443 -11.089 1.00 63.34 H new ATOM 0 HE2 TYR A 86 -5.289 16.222 -11.520 1.00 14.12 H new ATOM 0 HH TYR A 86 -4.424 17.801 -12.992 1.00 40.13 H new ATOM 1366 N CYS A 87 -5.261 20.287 -6.325 1.00 4.14 N ATOM 1367 CA CYS A 87 -4.536 21.534 -6.543 1.00 21.35 C ATOM 1368 C CYS A 87 -3.156 21.481 -5.896 1.00 2.13 C ATOM 1369 O CYS A 87 -2.159 21.872 -6.503 1.00 20.54 O ATOM 1370 CB CYS A 87 -5.331 22.714 -5.981 1.00 32.11 C ATOM 1371 SG CYS A 87 -6.381 23.543 -7.197 1.00 4.13 S ATOM 0 H CYS A 87 -6.187 20.404 -5.914 1.00 4.14 H new ATOM 0 HA CYS A 87 -4.408 21.669 -7.617 1.00 21.35 H new ATOM 0 HB2 CYS A 87 -5.954 22.360 -5.160 1.00 32.11 H new ATOM 0 HB3 CYS A 87 -4.635 23.441 -5.562 1.00 32.11 H new ATOM 0 HG CYS A 87 -7.014 24.525 -6.626 1.00 4.13 H new ATOM 1377 N VAL A 88 -3.106 20.995 -4.659 1.00 42.22 N ATOM 1378 CA VAL A 88 -1.848 20.890 -3.929 1.00 72.23 C ATOM 1379 C VAL A 88 -0.828 20.067 -4.708 1.00 62.03 C ATOM 1380 O VAL A 88 0.357 20.403 -4.747 1.00 45.44 O ATOM 1381 CB VAL A 88 -2.056 20.253 -2.543 1.00 15.32 C ATOM 1382 CG1 VAL A 88 -0.726 20.113 -1.816 1.00 3.43 C ATOM 1383 CG2 VAL A 88 -3.039 21.072 -1.722 1.00 12.55 C ATOM 0 H VAL A 88 -3.922 20.668 -4.142 1.00 42.22 H new ATOM 0 HA VAL A 88 -1.470 21.904 -3.801 1.00 72.23 H new ATOM 0 HB VAL A 88 -2.476 19.256 -2.679 1.00 15.32 H new ATOM 0 HG11 VAL A 88 -0.892 19.661 -0.838 1.00 3.43 H new ATOM 0 HG12 VAL A 88 -0.057 19.480 -2.400 1.00 3.43 H new ATOM 0 HG13 VAL A 88 -0.275 21.097 -1.689 1.00 3.43 H new ATOM 0 HG21 VAL A 88 -3.174 20.607 -0.746 1.00 12.55 H new ATOM 0 HG22 VAL A 88 -2.651 22.082 -1.592 1.00 12.55 H new ATOM 0 HG23 VAL A 88 -3.998 21.115 -2.239 1.00 12.55 H new ATOM 1393 N HIS A 89 -1.295 18.988 -5.328 1.00 61.11 N ATOM 1394 CA HIS A 89 -0.423 18.116 -6.108 1.00 44.34 C ATOM 1395 C HIS A 89 0.225 18.884 -7.257 1.00 60.22 C ATOM 1396 O HIS A 89 1.386 18.595 -7.545 1.00 64.23 O ATOM 1397 CB HIS A 89 -1.213 16.927 -6.656 1.00 43.45 C ATOM 1398 CG HIS A 89 -1.756 16.027 -5.589 1.00 1.30 C ATOM 1399 ND1 HIS A 89 -1.165 15.884 -4.352 1.00 2.35 N ATOM 1400 CD2 HIS A 89 -2.843 15.220 -5.580 1.00 24.20 C ATOM 1401 CE1 HIS A 89 -1.865 15.028 -3.629 1.00 22.55 C ATOM 1402 NE2 HIS A 89 -2.890 14.611 -4.351 1.00 33.22 N ATOM 0 H HIS A 89 -2.272 18.696 -5.306 1.00 61.11 H new ATOM 0 HA HIS A 89 0.364 17.747 -5.450 1.00 44.34 H new ATOM 0 HB2 HIS A 89 -2.039 17.298 -7.262 1.00 43.45 H new ATOM 0 HB3 HIS A 89 -0.569 16.347 -7.317 1.00 43.45 H new ATOM 0 HD1 HIS A 89 -0.320 16.364 -4.043 1.00 2.35 H new ATOM 0 HD2 HIS A 89 -3.544 15.081 -6.390 1.00 24.20 H new ATOM 0 HE1 HIS A 89 -1.638 14.721 -2.619 1.00 22.55 H new ATOM 1411 N GLN A 90 -0.470 19.820 -7.897 1.00 53.31 N ATOM 1412 CA GLN A 90 0.107 20.578 -9.001 1.00 12.24 C ATOM 1413 C GLN A 90 0.772 21.855 -8.495 1.00 43.40 C ATOM 1414 O GLN A 90 0.899 22.832 -9.232 1.00 73.23 O ATOM 1415 CB GLN A 90 -0.970 20.922 -10.029 1.00 63.13 C ATOM 1416 CG GLN A 90 -0.705 20.338 -11.407 1.00 62.23 C ATOM 1417 CD GLN A 90 0.108 21.268 -12.288 1.00 43.41 C ATOM 1418 OE1 GLN A 90 -0.418 22.234 -12.842 1.00 14.23 O ATOM 1419 NE2 GLN A 90 1.397 20.979 -12.422 1.00 21.34 N ATOM 0 H GLN A 90 -1.432 20.071 -7.670 1.00 53.31 H new ATOM 0 HA GLN A 90 0.867 19.958 -9.477 1.00 12.24 H new ATOM 0 HB2 GLN A 90 -1.933 20.560 -9.669 1.00 63.13 H new ATOM 0 HB3 GLN A 90 -1.048 22.006 -10.112 1.00 63.13 H new ATOM 0 HG2 GLN A 90 -0.177 19.390 -11.301 1.00 62.23 H new ATOM 0 HG3 GLN A 90 -1.655 20.120 -11.894 1.00 62.23 H new ATOM 0 HE21 GLN A 90 1.790 20.168 -11.944 1.00 21.34 H new ATOM 0 HE22 GLN A 90 1.994 21.568 -13.003 1.00 21.34 H new ATOM 1428 N ARG A 91 1.193 21.837 -7.235 1.00 61.32 N ATOM 1429 CA ARG A 91 1.842 22.995 -6.632 1.00 14.25 C ATOM 1430 C ARG A 91 0.949 24.228 -6.720 1.00 65.22 C ATOM 1431 O ARG A 91 1.434 25.348 -6.879 1.00 11.01 O ATOM 1432 CB ARG A 91 3.181 23.271 -7.318 1.00 24.11 C ATOM 1433 CG ARG A 91 4.025 22.025 -7.531 1.00 64.21 C ATOM 1434 CD ARG A 91 5.510 22.353 -7.541 1.00 34.14 C ATOM 1435 NE ARG A 91 6.010 22.585 -8.892 1.00 72.42 N ATOM 1436 CZ ARG A 91 7.301 22.684 -9.192 1.00 60.43 C ATOM 1437 NH1 ARG A 91 8.216 22.570 -8.240 1.00 1.34 N ATOM 1438 NH2 ARG A 91 7.678 22.897 -10.447 1.00 22.11 N ATOM 0 H ARG A 91 1.097 21.035 -6.613 1.00 61.32 H new ATOM 0 HA ARG A 91 2.020 22.772 -5.580 1.00 14.25 H new ATOM 0 HB2 ARG A 91 2.995 23.743 -8.283 1.00 24.11 H new ATOM 0 HB3 ARG A 91 3.746 23.984 -6.718 1.00 24.11 H new ATOM 0 HG2 ARG A 91 3.816 21.303 -6.741 1.00 64.21 H new ATOM 0 HG3 ARG A 91 3.749 21.554 -8.474 1.00 64.21 H new ATOM 0 HD2 ARG A 91 5.690 23.238 -6.931 1.00 34.14 H new ATOM 0 HD3 ARG A 91 6.065 21.533 -7.085 1.00 34.14 H new ATOM 0 HE ARG A 91 5.331 22.676 -9.648 1.00 72.42 H new ATOM 0 HH11 ARG A 91 7.930 22.406 -7.275 1.00 1.34 H new ATOM 0 HH12 ARG A 91 9.206 22.646 -8.473 1.00 1.34 H new ATOM 0 HH21 ARG A 91 6.977 22.985 -11.182 1.00 22.11 H new ATOM 0 HH22 ARG A 91 8.669 22.973 -10.676 1.00 22.11 H new ATOM 1452 N ILE A 92 -0.359 24.013 -6.618 1.00 21.33 N ATOM 1453 CA ILE A 92 -1.320 25.107 -6.686 1.00 71.53 C ATOM 1454 C ILE A 92 -1.725 25.571 -5.291 1.00 43.24 C ATOM 1455 O ILE A 92 -2.364 24.832 -4.542 1.00 60.13 O ATOM 1456 CB ILE A 92 -2.582 24.700 -7.467 1.00 41.24 C ATOM 1457 CG1 ILE A 92 -2.203 24.155 -8.846 1.00 72.33 C ATOM 1458 CG2 ILE A 92 -3.528 25.883 -7.601 1.00 73.42 C ATOM 1459 CD1 ILE A 92 -3.385 23.654 -9.645 1.00 31.12 C ATOM 0 H ILE A 92 -0.777 23.092 -6.488 1.00 21.33 H new ATOM 0 HA ILE A 92 -0.828 25.927 -7.210 1.00 71.53 H new ATOM 0 HB ILE A 92 -3.094 23.912 -6.914 1.00 41.24 H new ATOM 0 HG12 ILE A 92 -1.699 24.939 -9.411 1.00 72.33 H new ATOM 0 HG13 ILE A 92 -1.488 23.342 -8.722 1.00 72.33 H new ATOM 0 HG21 ILE A 92 -4.415 25.578 -8.156 1.00 73.42 H new ATOM 0 HG22 ILE A 92 -3.821 26.229 -6.610 1.00 73.42 H new ATOM 0 HG23 ILE A 92 -3.027 26.691 -8.134 1.00 73.42 H new ATOM 0 HD11 ILE A 92 -3.041 23.283 -10.610 1.00 31.12 H new ATOM 0 HD12 ILE A 92 -3.877 22.848 -9.101 1.00 31.12 H new ATOM 0 HD13 ILE A 92 -4.091 24.470 -9.801 1.00 31.12 H new ATOM 1471 N ASP A 93 -1.353 26.800 -4.951 1.00 10.04 N ATOM 1472 CA ASP A 93 -1.681 27.364 -3.646 1.00 71.14 C ATOM 1473 C ASP A 93 -2.945 28.214 -3.724 1.00 72.43 C ATOM 1474 O ASP A 93 -2.989 29.217 -4.438 1.00 53.24 O ATOM 1475 CB ASP A 93 -0.516 28.206 -3.124 1.00 2.22 C ATOM 1476 CG ASP A 93 0.013 29.172 -4.166 1.00 73.24 C ATOM 1477 OD1 ASP A 93 0.827 28.745 -5.012 1.00 63.51 O ATOM 1478 OD2 ASP A 93 -0.385 30.356 -4.135 1.00 3.02 O ATOM 0 H ASP A 93 -0.825 27.425 -5.560 1.00 10.04 H new ATOM 0 HA ASP A 93 -1.861 26.540 -2.956 1.00 71.14 H new ATOM 0 HB2 ASP A 93 -0.840 28.765 -2.246 1.00 2.22 H new ATOM 0 HB3 ASP A 93 0.290 27.546 -2.802 1.00 2.22 H new ATOM 1483 N VAL A 94 -3.972 27.806 -2.986 1.00 61.24 N ATOM 1484 CA VAL A 94 -5.238 28.531 -2.972 1.00 33.05 C ATOM 1485 C VAL A 94 -5.517 29.122 -1.595 1.00 35.25 C ATOM 1486 O VAL A 94 -5.239 28.498 -0.570 1.00 51.42 O ATOM 1487 CB VAL A 94 -6.411 27.618 -3.373 1.00 41.32 C ATOM 1488 CG1 VAL A 94 -6.212 27.081 -4.783 1.00 25.00 C ATOM 1489 CG2 VAL A 94 -6.566 26.479 -2.377 1.00 54.11 C ATOM 0 H VAL A 94 -3.953 26.978 -2.390 1.00 61.24 H new ATOM 0 HA VAL A 94 -5.149 29.338 -3.700 1.00 33.05 H new ATOM 0 HB VAL A 94 -7.328 28.208 -3.360 1.00 41.32 H new ATOM 0 HG11 VAL A 94 -7.051 26.438 -5.049 1.00 25.00 H new ATOM 0 HG12 VAL A 94 -6.156 27.913 -5.485 1.00 25.00 H new ATOM 0 HG13 VAL A 94 -5.286 26.507 -4.826 1.00 25.00 H new ATOM 0 HG21 VAL A 94 -7.400 25.844 -2.677 1.00 54.11 H new ATOM 0 HG22 VAL A 94 -5.650 25.888 -2.354 1.00 54.11 H new ATOM 0 HG23 VAL A 94 -6.759 26.887 -1.385 1.00 54.11 H new ATOM 1499 N LYS A 95 -6.068 30.331 -1.576 1.00 33.13 N ATOM 1500 CA LYS A 95 -6.388 31.008 -0.325 1.00 34.54 C ATOM 1501 C LYS A 95 -7.436 30.230 0.462 1.00 24.15 C ATOM 1502 O LYS A 95 -7.361 30.133 1.688 1.00 65.44 O ATOM 1503 CB LYS A 95 -6.890 32.426 -0.603 1.00 64.00 C ATOM 1504 CG LYS A 95 -6.503 33.430 0.469 1.00 35.22 C ATOM 1505 CD LYS A 95 -6.175 34.787 -0.131 1.00 32.52 C ATOM 1506 CE LYS A 95 -4.709 34.883 -0.525 1.00 12.43 C ATOM 1507 NZ LYS A 95 -4.541 35.128 -1.983 1.00 62.43 N ATOM 0 H LYS A 95 -6.302 30.863 -2.414 1.00 33.13 H new ATOM 0 HA LYS A 95 -5.478 31.063 0.273 1.00 34.54 H new ATOM 0 HB2 LYS A 95 -6.495 32.761 -1.562 1.00 64.00 H new ATOM 0 HB3 LYS A 95 -7.976 32.406 -0.695 1.00 64.00 H new ATOM 0 HG2 LYS A 95 -7.320 33.535 1.183 1.00 35.22 H new ATOM 0 HG3 LYS A 95 -5.641 33.058 1.023 1.00 35.22 H new ATOM 0 HD2 LYS A 95 -6.800 34.959 -1.007 1.00 32.52 H new ATOM 0 HD3 LYS A 95 -6.411 35.571 0.589 1.00 32.52 H new ATOM 0 HE2 LYS A 95 -4.235 35.688 0.035 1.00 12.43 H new ATOM 0 HE3 LYS A 95 -4.198 33.960 -0.251 1.00 12.43 H new ATOM 0 HZ1 LYS A 95 -3.528 35.187 -2.211 1.00 62.43 H new ATOM 0 HZ2 LYS A 95 -4.971 34.347 -2.518 1.00 62.43 H new ATOM 0 HZ3 LYS A 95 -5.006 36.022 -2.241 1.00 62.43 H new ATOM 1521 N ASP A 96 -8.413 29.677 -0.248 1.00 61.04 N ATOM 1522 CA ASP A 96 -9.476 28.904 0.385 1.00 63.41 C ATOM 1523 C ASP A 96 -10.058 27.883 -0.587 1.00 62.13 C ATOM 1524 O ASP A 96 -9.748 27.897 -1.780 1.00 1.11 O ATOM 1525 CB ASP A 96 -10.581 29.835 0.888 1.00 31.34 C ATOM 1526 CG ASP A 96 -10.907 30.935 -0.103 1.00 61.11 C ATOM 1527 OD1 ASP A 96 -11.408 30.615 -1.201 1.00 60.12 O ATOM 1528 OD2 ASP A 96 -10.663 32.116 0.220 1.00 21.13 O ATOM 0 H ASP A 96 -8.491 29.749 -1.262 1.00 61.04 H new ATOM 0 HA ASP A 96 -9.048 28.369 1.232 1.00 63.41 H new ATOM 0 HB2 ASP A 96 -11.480 29.252 1.088 1.00 31.34 H new ATOM 0 HB3 ASP A 96 -10.273 30.281 1.834 1.00 31.34 H new ATOM 1533 N THR A 97 -10.903 26.996 -0.071 1.00 50.21 N ATOM 1534 CA THR A 97 -11.526 25.966 -0.891 1.00 71.14 C ATOM 1535 C THR A 97 -12.384 26.583 -1.990 1.00 51.35 C ATOM 1536 O THR A 97 -12.792 25.901 -2.931 1.00 42.12 O ATOM 1537 CB THR A 97 -12.400 25.023 -0.043 1.00 31.32 C ATOM 1538 OG1 THR A 97 -11.695 24.636 1.142 1.00 13.22 O ATOM 1539 CG2 THR A 97 -12.788 23.784 -0.836 1.00 63.52 C ATOM 0 H THR A 97 -11.172 26.971 0.913 1.00 50.21 H new ATOM 0 HA THR A 97 -10.718 25.391 -1.343 1.00 71.14 H new ATOM 0 HB THR A 97 -13.309 25.557 0.233 1.00 31.32 H new ATOM 0 HG1 THR A 97 -11.438 23.693 1.076 1.00 13.22 H new ATOM 0 HG21 THR A 97 -13.405 23.134 -0.216 1.00 63.52 H new ATOM 0 HG22 THR A 97 -13.350 24.080 -1.722 1.00 63.52 H new ATOM 0 HG23 THR A 97 -11.888 23.249 -1.139 1.00 63.52 H new ATOM 1547 N LYS A 98 -12.653 27.878 -1.867 1.00 72.23 N ATOM 1548 CA LYS A 98 -13.461 28.589 -2.852 1.00 24.43 C ATOM 1549 C LYS A 98 -12.644 28.907 -4.099 1.00 54.24 C ATOM 1550 O LYS A 98 -13.054 28.595 -5.217 1.00 2.23 O ATOM 1551 CB LYS A 98 -14.015 29.882 -2.249 1.00 31.02 C ATOM 1552 CG LYS A 98 -15.377 30.274 -2.794 1.00 12.42 C ATOM 1553 CD LYS A 98 -16.499 29.781 -1.895 1.00 65.34 C ATOM 1554 CE LYS A 98 -17.746 30.642 -2.039 1.00 35.40 C ATOM 1555 NZ LYS A 98 -17.509 32.041 -1.585 1.00 1.33 N ATOM 0 H LYS A 98 -12.323 28.457 -1.095 1.00 72.23 H new ATOM 0 HA LYS A 98 -14.291 27.943 -3.138 1.00 24.43 H new ATOM 0 HB2 LYS A 98 -14.085 29.767 -1.167 1.00 31.02 H new ATOM 0 HB3 LYS A 98 -13.311 30.692 -2.438 1.00 31.02 H new ATOM 0 HG2 LYS A 98 -15.434 31.358 -2.888 1.00 12.42 H new ATOM 0 HG3 LYS A 98 -15.503 29.860 -3.795 1.00 12.42 H new ATOM 0 HD2 LYS A 98 -16.738 28.747 -2.143 1.00 65.34 H new ATOM 0 HD3 LYS A 98 -16.166 29.791 -0.857 1.00 65.34 H new ATOM 0 HE2 LYS A 98 -18.065 30.647 -3.081 1.00 35.40 H new ATOM 0 HE3 LYS A 98 -18.559 30.205 -1.459 1.00 35.40 H new ATOM 0 HZ1 LYS A 98 -18.168 32.272 -0.814 1.00 1.33 H new ATOM 0 HZ2 LYS A 98 -16.531 32.134 -1.244 1.00 1.33 H new ATOM 0 HZ3 LYS A 98 -17.662 32.694 -2.379 1.00 1.33 H new ATOM 1569 N GLU A 99 -11.484 29.527 -3.900 1.00 44.31 N ATOM 1570 CA GLU A 99 -10.610 29.885 -5.011 1.00 20.10 C ATOM 1571 C GLU A 99 -10.039 28.637 -5.678 1.00 64.22 C ATOM 1572 O GLU A 99 -9.561 28.691 -6.811 1.00 2.02 O ATOM 1573 CB GLU A 99 -9.470 30.782 -4.522 1.00 53.41 C ATOM 1574 CG GLU A 99 -9.582 32.222 -4.996 1.00 1.23 C ATOM 1575 CD GLU A 99 -8.983 32.430 -6.374 1.00 24.35 C ATOM 1576 OE1 GLU A 99 -9.260 31.607 -7.271 1.00 71.23 O ATOM 1577 OE2 GLU A 99 -8.239 33.417 -6.554 1.00 25.54 O ATOM 0 H GLU A 99 -11.129 29.791 -2.981 1.00 44.31 H new ATOM 0 HA GLU A 99 -11.203 30.430 -5.746 1.00 20.10 H new ATOM 0 HB2 GLU A 99 -9.450 30.768 -3.432 1.00 53.41 H new ATOM 0 HB3 GLU A 99 -8.521 30.368 -4.864 1.00 53.41 H new ATOM 0 HG2 GLU A 99 -10.632 32.515 -5.012 1.00 1.23 H new ATOM 0 HG3 GLU A 99 -9.080 32.876 -4.283 1.00 1.23 H new ATOM 1584 N ALA A 100 -10.094 27.516 -4.967 1.00 64.24 N ATOM 1585 CA ALA A 100 -9.585 26.254 -5.491 1.00 21.21 C ATOM 1586 C ALA A 100 -10.525 25.678 -6.545 1.00 35.41 C ATOM 1587 O ALA A 100 -10.080 25.122 -7.551 1.00 31.34 O ATOM 1588 CB ALA A 100 -9.382 25.257 -4.360 1.00 60.51 C ATOM 0 H ALA A 100 -10.486 27.456 -4.027 1.00 64.24 H new ATOM 0 HA ALA A 100 -8.624 26.448 -5.967 1.00 21.21 H new ATOM 0 HB1 ALA A 100 -9.002 24.319 -4.765 1.00 60.51 H new ATOM 0 HB2 ALA A 100 -8.666 25.660 -3.644 1.00 60.51 H new ATOM 0 HB3 ALA A 100 -10.333 25.076 -3.859 1.00 60.51 H new ATOM 1594 N LEU A 101 -11.825 25.813 -6.309 1.00 12.14 N ATOM 1595 CA LEU A 101 -12.827 25.304 -7.238 1.00 63.21 C ATOM 1596 C LEU A 101 -12.857 26.136 -8.516 1.00 64.50 C ATOM 1597 O LEU A 101 -13.085 25.610 -9.606 1.00 2.14 O ATOM 1598 CB LEU A 101 -14.209 25.310 -6.581 1.00 21.42 C ATOM 1599 CG LEU A 101 -14.498 24.159 -5.617 1.00 1.34 C ATOM 1600 CD1 LEU A 101 -15.405 24.624 -4.488 1.00 44.30 C ATOM 1601 CD2 LEU A 101 -15.124 22.986 -6.358 1.00 20.21 C ATOM 0 H LEU A 101 -12.210 26.271 -5.483 1.00 12.14 H new ATOM 0 HA LEU A 101 -12.559 24.280 -7.498 1.00 63.21 H new ATOM 0 HB2 LEU A 101 -14.328 26.249 -6.040 1.00 21.42 H new ATOM 0 HB3 LEU A 101 -14.963 25.297 -7.368 1.00 21.42 H new ATOM 0 HG LEU A 101 -13.554 23.827 -5.185 1.00 1.34 H new ATOM 0 HD11 LEU A 101 -15.600 23.792 -3.812 1.00 44.30 H new ATOM 0 HD12 LEU A 101 -14.919 25.431 -3.940 1.00 44.30 H new ATOM 0 HD13 LEU A 101 -16.347 24.983 -4.902 1.00 44.30 H new ATOM 0 HD21 LEU A 101 -15.323 22.176 -5.656 1.00 20.21 H new ATOM 0 HD22 LEU A 101 -16.059 23.304 -6.819 1.00 20.21 H new ATOM 0 HD23 LEU A 101 -14.439 22.636 -7.131 1.00 20.21 H new ATOM 1613 N ASP A 102 -12.622 27.436 -8.375 1.00 43.25 N ATOM 1614 CA ASP A 102 -12.619 28.340 -9.520 1.00 34.42 C ATOM 1615 C ASP A 102 -11.428 28.058 -10.430 1.00 72.52 C ATOM 1616 O ASP A 102 -11.580 27.915 -11.643 1.00 52.22 O ATOM 1617 CB ASP A 102 -12.582 29.794 -9.047 1.00 62.11 C ATOM 1618 CG ASP A 102 -13.412 30.709 -9.926 1.00 22.43 C ATOM 1619 OD1 ASP A 102 -12.945 31.054 -11.031 1.00 55.44 O ATOM 1620 OD2 ASP A 102 -14.528 31.083 -9.508 1.00 11.24 O ATOM 0 H ASP A 102 -12.431 27.887 -7.480 1.00 43.25 H new ATOM 0 HA ASP A 102 -13.535 28.173 -10.087 1.00 34.42 H new ATOM 0 HB2 ASP A 102 -12.948 29.849 -8.022 1.00 62.11 H new ATOM 0 HB3 ASP A 102 -11.550 30.143 -9.036 1.00 62.11 H new ATOM 1625 N LYS A 103 -10.240 27.982 -9.838 1.00 24.41 N ATOM 1626 CA LYS A 103 -9.023 27.718 -10.595 1.00 34.43 C ATOM 1627 C LYS A 103 -9.123 26.392 -11.341 1.00 35.44 C ATOM 1628 O LYS A 103 -8.549 26.231 -12.419 1.00 34.31 O ATOM 1629 CB LYS A 103 -7.811 27.699 -9.660 1.00 23.23 C ATOM 1630 CG LYS A 103 -7.561 29.026 -8.962 1.00 11.54 C ATOM 1631 CD LYS A 103 -6.626 29.912 -9.768 1.00 73.30 C ATOM 1632 CE LYS A 103 -5.246 29.991 -9.132 1.00 63.52 C ATOM 1633 NZ LYS A 103 -5.073 31.237 -8.335 1.00 43.20 N ATOM 0 H LYS A 103 -10.095 28.100 -8.835 1.00 24.41 H new ATOM 0 HA LYS A 103 -8.899 28.517 -11.326 1.00 34.43 H new ATOM 0 HB2 LYS A 103 -7.955 26.924 -8.908 1.00 23.23 H new ATOM 0 HB3 LYS A 103 -6.925 27.427 -10.233 1.00 23.23 H new ATOM 0 HG2 LYS A 103 -8.509 29.541 -8.808 1.00 11.54 H new ATOM 0 HG3 LYS A 103 -7.132 28.845 -7.976 1.00 11.54 H new ATOM 0 HD2 LYS A 103 -6.538 29.523 -10.782 1.00 73.30 H new ATOM 0 HD3 LYS A 103 -7.049 30.913 -9.846 1.00 73.30 H new ATOM 0 HE2 LYS A 103 -5.092 29.124 -8.489 1.00 63.52 H new ATOM 0 HE3 LYS A 103 -4.484 29.949 -9.911 1.00 63.52 H new ATOM 0 HZ1 LYS A 103 -4.120 31.253 -7.918 1.00 43.20 H new ATOM 0 HZ2 LYS A 103 -5.194 32.064 -8.953 1.00 43.20 H new ATOM 0 HZ3 LYS A 103 -5.783 31.265 -7.576 1.00 43.20 H new