USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 822 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 86 TYR OH : rot 165:sc= -0.828 USER MOD Set 1.2: A 90 GLN : amide:sc= -1.07 X(o=-1.9,f=-2.1) USER MOD Set 2.1: A 65 GLN : amide:sc= 0.0643 K(o=0.13,f=-0.57) USER MOD Set 2.2: A 79 TYR OH : rot 180:sc= 0.066 USER MOD Set 3.1: A 29 TYR OH : rot 172:sc= 1.18 USER MOD Set 3.2: A 97 THR OG1 : rot 134:sc= 0.859 USER MOD Single : A 9 SER OG : rot 180:sc= -0.0686 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 153:sc= -0.19 (180deg=-0.73) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.567 K(o=-0.57,f=-2.1) 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= -1.59! C(o=-1.6!,f=-7.3!) USER MOD Single : A 38 SER OG : rot -76:sc= 0.282 USER MOD Single : A 47 ASN : amide:sc= -0.16 K(o=-0.16,f=-1.2) USER MOD Single : A 53 THR OG1 : rot -20:sc= 1.83 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -0.464 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.099) USER MOD Single : A 67 SER OG : rot 97:sc= 1.26 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -1.02 K(o=-1,f=0.13) USER MOD Single : A 81 THR OG1 : rot 72:sc= 0.0355 USER MOD Single : A 87 CYS SG : rot 89:sc= -1.07 USER MOD Single : A 89 HIS : no HE2:sc= 0.368 K(o=1.1,f=-3.9!) USER MOD Single : A 95 LYS NZ :NH3+ -152:sc= -0.109 (180deg=-0.621) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 63 N VAL A 7 -9.383 5.571 -8.490 1.00 3.21 N ATOM 64 CA VAL A 7 -9.542 6.781 -9.289 1.00 53.42 C ATOM 65 C VAL A 7 -10.723 7.612 -8.800 1.00 53.22 C ATOM 66 O VAL A 7 -10.546 8.705 -8.262 1.00 53.42 O ATOM 67 CB VAL A 7 -9.745 6.447 -10.779 1.00 52.23 C ATOM 68 CG1 VAL A 7 -9.932 7.720 -11.590 1.00 32.13 C ATOM 69 CG2 VAL A 7 -8.572 5.636 -11.307 1.00 55.04 C ATOM 0 HA VAL A 7 -8.624 7.358 -9.175 1.00 53.42 H new ATOM 0 HB VAL A 7 -10.648 5.845 -10.879 1.00 52.23 H new ATOM 0 HG11 VAL A 7 -10.074 7.465 -12.640 1.00 32.13 H new ATOM 0 HG12 VAL A 7 -10.807 8.258 -11.226 1.00 32.13 H new ATOM 0 HG13 VAL A 7 -9.049 8.351 -11.486 1.00 32.13 H new ATOM 0 HG21 VAL A 7 -8.732 5.409 -12.361 1.00 55.04 H new ATOM 0 HG22 VAL A 7 -7.653 6.211 -11.195 1.00 55.04 H new ATOM 0 HG23 VAL A 7 -8.490 4.706 -10.744 1.00 55.04 H new ATOM 79 N LEU A 8 -11.928 7.086 -8.989 1.00 14.34 N ATOM 80 CA LEU A 8 -13.139 7.779 -8.567 1.00 25.02 C ATOM 81 C LEU A 8 -13.664 7.207 -7.254 1.00 22.00 C ATOM 82 O LEU A 8 -13.872 6.000 -7.129 1.00 1.44 O ATOM 83 CB LEU A 8 -14.216 7.671 -9.649 1.00 31.42 C ATOM 84 CG LEU A 8 -13.937 8.422 -10.951 1.00 2.31 C ATOM 85 CD1 LEU A 8 -14.983 8.078 -12.000 1.00 13.55 C ATOM 86 CD2 LEU A 8 -13.901 9.924 -10.703 1.00 74.51 C ATOM 0 H LEU A 8 -12.092 6.182 -9.432 1.00 14.34 H new ATOM 0 HA LEU A 8 -12.891 8.829 -8.412 1.00 25.02 H new ATOM 0 HB2 LEU A 8 -14.361 6.617 -9.885 1.00 31.42 H new ATOM 0 HB3 LEU A 8 -15.156 8.037 -9.236 1.00 31.42 H new ATOM 0 HG LEU A 8 -12.961 8.112 -11.325 1.00 2.31 H new ATOM 0 HD11 LEU A 8 -14.768 8.622 -12.920 1.00 13.55 H new ATOM 0 HD12 LEU A 8 -14.961 7.006 -12.198 1.00 13.55 H new ATOM 0 HD13 LEU A 8 -15.971 8.359 -11.635 1.00 13.55 H new ATOM 0 HD21 LEU A 8 -13.701 10.443 -11.641 1.00 74.51 H new ATOM 0 HD22 LEU A 8 -14.862 10.250 -10.305 1.00 74.51 H new ATOM 0 HD23 LEU A 8 -13.114 10.156 -9.985 1.00 74.51 H new ATOM 98 N SER A 9 -13.877 8.083 -6.277 1.00 4.30 N ATOM 99 CA SER A 9 -14.375 7.665 -4.971 1.00 1.32 C ATOM 100 C SER A 9 -15.834 7.229 -5.062 1.00 25.02 C ATOM 101 O SER A 9 -16.399 7.131 -6.150 1.00 4.41 O ATOM 102 CB SER A 9 -14.234 8.805 -3.960 1.00 54.12 C ATOM 103 OG SER A 9 -15.435 9.550 -3.859 1.00 34.24 O ATOM 0 H SER A 9 -13.713 9.086 -6.365 1.00 4.30 H new ATOM 0 HA SER A 9 -13.779 6.816 -4.636 1.00 1.32 H new ATOM 0 HB2 SER A 9 -13.972 8.398 -2.983 1.00 54.12 H new ATOM 0 HB3 SER A 9 -13.419 9.463 -4.261 1.00 54.12 H new ATOM 0 HG SER A 9 -15.319 10.271 -3.205 1.00 34.24 H new ATOM 109 N GLY A 10 -16.440 6.966 -3.907 1.00 54.21 N ATOM 110 CA GLY A 10 -17.827 6.543 -3.877 1.00 41.03 C ATOM 111 C GLY A 10 -18.751 7.534 -4.556 1.00 65.41 C ATOM 112 O GLY A 10 -19.543 7.163 -5.422 1.00 55.42 O ATOM 0 H GLY A 10 -15.994 7.039 -2.992 1.00 54.21 H new ATOM 0 HA2 GLY A 10 -17.918 5.573 -4.365 1.00 41.03 H new ATOM 0 HA3 GLY A 10 -18.140 6.409 -2.842 1.00 41.03 H new ATOM 116 N GLY A 11 -18.653 8.800 -4.160 1.00 53.43 N ATOM 117 CA GLY A 11 -19.493 9.827 -4.745 1.00 10.24 C ATOM 118 C GLY A 11 -19.198 10.051 -6.215 1.00 11.50 C ATOM 119 O GLY A 11 -20.113 10.209 -7.022 1.00 21.31 O ATOM 0 H GLY A 11 -18.006 9.132 -3.444 1.00 53.43 H new ATOM 0 HA2 GLY A 11 -20.540 9.547 -4.626 1.00 10.24 H new ATOM 0 HA3 GLY A 11 -19.350 10.762 -4.203 1.00 10.24 H new ATOM 123 N GLU A 12 -17.915 10.066 -6.563 1.00 34.33 N ATOM 124 CA GLU A 12 -17.502 10.274 -7.947 1.00 53.52 C ATOM 125 C GLU A 12 -17.941 9.108 -8.827 1.00 23.44 C ATOM 126 O GLU A 12 -18.212 9.281 -10.016 1.00 32.43 O ATOM 127 CB GLU A 12 -15.983 10.445 -8.029 1.00 40.42 C ATOM 128 CG GLU A 12 -15.422 11.405 -6.993 1.00 44.21 C ATOM 129 CD GLU A 12 -13.957 11.721 -7.223 1.00 0.25 C ATOM 130 OE1 GLU A 12 -13.104 10.899 -6.829 1.00 22.33 O ATOM 131 OE2 GLU A 12 -13.665 12.792 -7.797 1.00 74.20 O1- ATOM 0 H GLU A 12 -17.145 9.937 -5.907 1.00 34.33 H new ATOM 0 HA GLU A 12 -17.983 11.182 -8.310 1.00 53.52 H new ATOM 0 HB2 GLU A 12 -15.509 9.471 -7.904 1.00 40.42 H new ATOM 0 HB3 GLU A 12 -15.719 10.803 -9.024 1.00 40.42 H new ATOM 0 HG2 GLU A 12 -15.997 12.331 -7.012 1.00 44.21 H new ATOM 0 HG3 GLU A 12 -15.545 10.974 -5.999 1.00 44.21 H new ATOM 138 N LEU A 13 -18.009 7.920 -8.236 1.00 14.44 N ATOM 139 CA LEU A 13 -18.415 6.724 -8.966 1.00 1.44 C ATOM 140 C LEU A 13 -19.872 6.823 -9.404 1.00 61.34 C ATOM 141 O LEU A 13 -20.199 6.585 -10.567 1.00 71.12 O ATOM 142 CB LEU A 13 -18.214 5.481 -8.098 1.00 34.11 C ATOM 143 CG LEU A 13 -18.239 4.139 -8.831 1.00 4.25 C ATOM 144 CD1 LEU A 13 -17.174 4.103 -9.917 1.00 43.32 C ATOM 145 CD2 LEU A 13 -18.043 2.992 -7.852 1.00 43.01 C ATOM 0 H LEU A 13 -17.788 7.759 -7.253 1.00 14.44 H new ATOM 0 HA LEU A 13 -17.792 6.642 -9.857 1.00 1.44 H new ATOM 0 HB2 LEU A 13 -17.258 5.573 -7.583 1.00 34.11 H new ATOM 0 HB3 LEU A 13 -18.989 5.468 -7.332 1.00 34.11 H new ATOM 0 HG LEU A 13 -19.215 4.024 -9.303 1.00 4.25 H new ATOM 0 HD11 LEU A 13 -17.207 3.140 -10.427 1.00 43.32 H new ATOM 0 HD12 LEU A 13 -17.360 4.901 -10.635 1.00 43.32 H new ATOM 0 HD13 LEU A 13 -16.191 4.241 -9.467 1.00 43.32 H new ATOM 0 HD21 LEU A 13 -18.064 2.045 -8.392 1.00 43.01 H new ATOM 0 HD22 LEU A 13 -17.082 3.102 -7.350 1.00 43.01 H new ATOM 0 HD23 LEU A 13 -18.843 3.005 -7.112 1.00 43.01 H new ATOM 157 N ASP A 14 -20.744 7.175 -8.466 1.00 4.42 N ATOM 158 CA ASP A 14 -22.167 7.309 -8.755 1.00 75.32 C ATOM 159 C ASP A 14 -22.395 8.234 -9.946 1.00 15.22 C ATOM 160 O ASP A 14 -23.080 7.873 -10.904 1.00 3.44 O ATOM 161 CB ASP A 14 -22.911 7.842 -7.530 1.00 21.21 C ATOM 162 CG ASP A 14 -23.482 6.731 -6.671 1.00 41.11 C ATOM 163 OD1 ASP A 14 -22.688 5.962 -6.091 1.00 51.34 O ATOM 164 OD2 ASP A 14 -24.722 6.632 -6.577 1.00 24.34 O1- ATOM 0 H ASP A 14 -20.490 7.373 -7.498 1.00 4.42 H new ATOM 0 HA ASP A 14 -22.556 6.322 -9.005 1.00 75.32 H new ATOM 0 HB2 ASP A 14 -22.231 8.448 -6.931 1.00 21.21 H new ATOM 0 HB3 ASP A 14 -23.719 8.497 -7.856 1.00 21.21 H new ATOM 169 N LYS A 15 -21.817 9.429 -9.881 1.00 72.05 N ATOM 170 CA LYS A 15 -21.956 10.407 -10.953 1.00 22.23 C ATOM 171 C LYS A 15 -21.312 9.899 -12.239 1.00 63.13 C ATOM 172 O LYS A 15 -21.872 10.048 -13.325 1.00 61.52 O ATOM 173 CB LYS A 15 -21.321 11.738 -10.543 1.00 21.41 C ATOM 174 CG LYS A 15 -22.266 12.655 -9.787 1.00 24.31 C ATOM 175 CD LYS A 15 -22.785 12.000 -8.518 1.00 51.42 C ATOM 176 CE LYS A 15 -23.535 12.994 -7.644 1.00 34.23 C ATOM 177 NZ LYS A 15 -23.717 12.485 -6.257 1.00 72.52 N1+ ATOM 0 H LYS A 15 -21.247 9.743 -9.096 1.00 72.05 H new ATOM 0 HA LYS A 15 -23.020 10.560 -11.136 1.00 22.23 H new ATOM 0 HB2 LYS A 15 -20.448 11.538 -9.922 1.00 21.41 H new ATOM 0 HB3 LYS A 15 -20.966 12.252 -11.436 1.00 21.41 H new ATOM 0 HG2 LYS A 15 -21.750 13.581 -9.534 1.00 24.31 H new ATOM 0 HG3 LYS A 15 -23.106 12.922 -10.429 1.00 24.31 H new ATOM 0 HD2 LYS A 15 -23.445 11.172 -8.778 1.00 51.42 H new ATOM 0 HD3 LYS A 15 -21.951 11.578 -7.958 1.00 51.42 H new ATOM 0 HE2 LYS A 15 -22.989 13.937 -7.616 1.00 34.23 H new ATOM 0 HE3 LYS A 15 -24.510 13.203 -8.085 1.00 34.23 H new ATOM 0 HZ1 LYS A 15 -24.232 13.191 -5.693 1.00 72.52 H new ATOM 0 HZ2 LYS A 15 -24.260 11.598 -6.281 1.00 72.52 H new ATOM 0 HZ3 LYS A 15 -22.787 12.310 -5.827 1.00 72.52 H new ATOM 191 N TRP A 16 -20.134 9.299 -12.109 1.00 41.11 N ATOM 192 CA TRP A 16 -19.415 8.768 -13.262 1.00 44.30 C ATOM 193 C TRP A 16 -20.303 7.831 -14.072 1.00 4.53 C ATOM 194 O TRP A 16 -20.445 7.991 -15.284 1.00 31.23 O ATOM 195 CB TRP A 16 -18.155 8.031 -12.807 1.00 44.10 C ATOM 196 CG TRP A 16 -17.439 7.335 -13.925 1.00 53.32 C ATOM 197 CD1 TRP A 16 -17.530 6.015 -14.261 1.00 74.31 C ATOM 198 CD2 TRP A 16 -16.519 7.924 -14.850 1.00 11.33 C ATOM 199 NE1 TRP A 16 -16.723 5.748 -15.340 1.00 35.24 N ATOM 200 CE2 TRP A 16 -16.093 6.903 -15.721 1.00 32.34 C ATOM 201 CE3 TRP A 16 -16.016 9.216 -15.031 1.00 63.22 C ATOM 202 CZ2 TRP A 16 -15.188 7.135 -16.753 1.00 34.42 C ATOM 203 CZ3 TRP A 16 -15.117 9.444 -16.055 1.00 32.34 C ATOM 204 CH2 TRP A 16 -14.712 8.408 -16.907 1.00 52.42 C ATOM 0 H TRP A 16 -19.657 9.168 -11.217 1.00 41.11 H new ATOM 0 HA TRP A 16 -19.128 9.605 -13.898 1.00 44.30 H new ATOM 0 HB2 TRP A 16 -17.476 8.743 -12.337 1.00 44.10 H new ATOM 0 HB3 TRP A 16 -18.426 7.299 -12.046 1.00 44.10 H new ATOM 0 HD1 TRP A 16 -18.146 5.288 -13.753 1.00 74.31 H new ATOM 0 HE1 TRP A 16 -16.611 4.837 -15.785 1.00 35.24 H new ATOM 0 HE3 TRP A 16 -16.325 10.022 -14.382 1.00 63.22 H new ATOM 0 HZ2 TRP A 16 -14.873 6.337 -17.409 1.00 34.42 H new ATOM 0 HZ3 TRP A 16 -14.720 10.438 -16.201 1.00 32.34 H new ATOM 0 HH2 TRP A 16 -14.010 8.619 -17.701 1.00 52.42 H new ATOM 215 N GLU A 17 -20.900 6.854 -13.396 1.00 54.43 N ATOM 216 CA GLU A 17 -21.773 5.892 -14.056 1.00 4.31 C ATOM 217 C GLU A 17 -22.962 6.593 -14.708 1.00 52.42 C ATOM 218 O GLU A 17 -23.536 6.097 -15.678 1.00 54.24 O ATOM 219 CB GLU A 17 -22.270 4.849 -13.054 1.00 42.54 C ATOM 220 CG GLU A 17 -21.251 3.764 -12.748 1.00 61.13 C ATOM 221 CD GLU A 17 -21.877 2.536 -12.115 1.00 11.34 C ATOM 222 OE1 GLU A 17 -23.012 2.644 -11.606 1.00 42.24 O1- ATOM 223 OE2 GLU A 17 -21.231 1.468 -12.131 1.00 62.52 O ATOM 0 H GLU A 17 -20.795 6.709 -12.392 1.00 54.43 H new ATOM 0 HA GLU A 17 -21.196 5.392 -14.834 1.00 4.31 H new ATOM 0 HB2 GLU A 17 -22.544 5.351 -12.126 1.00 42.54 H new ATOM 0 HB3 GLU A 17 -23.176 4.385 -13.445 1.00 42.54 H new ATOM 0 HG2 GLU A 17 -20.746 3.475 -13.670 1.00 61.13 H new ATOM 0 HG3 GLU A 17 -20.489 4.165 -12.079 1.00 61.13 H new ATOM 230 N LYS A 18 -23.326 7.751 -14.167 1.00 43.51 N ATOM 231 CA LYS A 18 -24.445 8.523 -14.694 1.00 21.22 C ATOM 232 C LYS A 18 -24.059 9.227 -15.991 1.00 41.30 C ATOM 233 O LYS A 18 -24.774 9.146 -16.989 1.00 14.14 O ATOM 234 CB LYS A 18 -24.912 9.553 -13.663 1.00 62.21 C ATOM 235 CG LYS A 18 -26.424 9.663 -13.554 1.00 53.01 C ATOM 236 CD LYS A 18 -26.878 11.113 -13.563 1.00 45.14 C ATOM 237 CE LYS A 18 -28.396 11.221 -13.585 1.00 52.33 C ATOM 238 NZ LYS A 18 -28.868 12.512 -13.012 1.00 61.22 N1+ ATOM 0 H LYS A 18 -22.862 8.175 -13.364 1.00 43.51 H new ATOM 0 HA LYS A 18 -25.261 7.832 -14.905 1.00 21.22 H new ATOM 0 HB2 LYS A 18 -24.504 9.289 -12.687 1.00 62.21 H new ATOM 0 HB3 LYS A 18 -24.503 10.529 -13.926 1.00 62.21 H new ATOM 0 HG2 LYS A 18 -26.890 9.130 -14.383 1.00 53.01 H new ATOM 0 HG3 LYS A 18 -26.760 9.181 -12.636 1.00 53.01 H new ATOM 0 HD2 LYS A 18 -26.488 11.623 -12.682 1.00 45.14 H new ATOM 0 HD3 LYS A 18 -26.463 11.620 -14.434 1.00 45.14 H new ATOM 0 HE2 LYS A 18 -28.752 11.127 -14.611 1.00 52.33 H new ATOM 0 HE3 LYS A 18 -28.827 10.394 -13.021 1.00 52.33 H new ATOM 0 HZ1 LYS A 18 -29.907 12.547 -13.045 1.00 61.22 H new ATOM 0 HZ2 LYS A 18 -28.550 12.591 -12.025 1.00 61.22 H new ATOM 0 HZ3 LYS A 18 -28.477 13.301 -13.565 1.00 61.22 H new ATOM 252 N ILE A 19 -22.923 9.915 -15.969 1.00 55.52 N ATOM 253 CA ILE A 19 -22.440 10.631 -17.144 1.00 52.44 C ATOM 254 C ILE A 19 -22.400 9.719 -18.365 1.00 65.52 C ATOM 255 O ILE A 19 -22.034 8.548 -18.266 1.00 62.32 O ATOM 256 CB ILE A 19 -21.035 11.216 -16.908 1.00 33.13 C ATOM 257 CG1 ILE A 19 -21.047 12.163 -15.707 1.00 32.50 C ATOM 258 CG2 ILE A 19 -20.547 11.939 -18.155 1.00 5.11 C ATOM 259 CD1 ILE A 19 -19.890 11.948 -14.756 1.00 10.24 C ATOM 0 H ILE A 19 -22.319 9.992 -15.150 1.00 55.52 H new ATOM 0 HA ILE A 19 -23.139 11.447 -17.326 1.00 52.44 H new ATOM 0 HB ILE A 19 -20.348 10.397 -16.693 1.00 33.13 H new ATOM 0 HG12 ILE A 19 -21.025 13.192 -16.066 1.00 32.50 H new ATOM 0 HG13 ILE A 19 -21.983 12.035 -15.163 1.00 32.50 H new ATOM 0 HG21 ILE A 19 -19.553 12.347 -17.973 1.00 5.11 H new ATOM 0 HG22 ILE A 19 -20.505 11.238 -18.989 1.00 5.11 H new ATOM 0 HG23 ILE A 19 -21.234 12.750 -18.397 1.00 5.11 H new ATOM 0 HD11 ILE A 19 -19.963 12.654 -13.929 1.00 10.24 H new ATOM 0 HD12 ILE A 19 -19.922 10.930 -14.368 1.00 10.24 H new ATOM 0 HD13 ILE A 19 -18.950 12.105 -15.285 1.00 10.24 H new ATOM 271 N ARG A 20 -22.781 10.264 -19.516 1.00 54.13 N ATOM 272 CA ARG A 20 -22.788 9.499 -20.757 1.00 35.13 C ATOM 273 C ARG A 20 -21.621 9.905 -21.653 1.00 31.41 C ATOM 274 O ARG A 20 -21.091 11.010 -21.537 1.00 53.45 O ATOM 275 CB ARG A 20 -24.110 9.704 -21.499 1.00 23.44 C ATOM 276 CG ARG A 20 -25.333 9.608 -20.602 1.00 42.55 C ATOM 277 CD ARG A 20 -26.504 8.959 -21.324 1.00 61.44 C ATOM 278 NE ARG A 20 -27.778 9.249 -20.671 1.00 1.24 N ATOM 279 CZ ARG A 20 -28.886 8.546 -20.877 1.00 32.40 C ATOM 280 NH1 ARG A 20 -28.876 7.517 -21.713 1.00 60.12 N1+ ATOM 281 NH2 ARG A 20 -30.006 8.872 -20.246 1.00 23.33 N ATOM 0 H ARG A 20 -23.089 11.232 -19.615 1.00 54.13 H new ATOM 0 HA ARG A 20 -22.680 8.444 -20.505 1.00 35.13 H new ATOM 0 HB2 ARG A 20 -24.099 10.682 -21.980 1.00 23.44 H new ATOM 0 HB3 ARG A 20 -24.192 8.960 -22.291 1.00 23.44 H new ATOM 0 HG2 ARG A 20 -25.088 9.030 -19.711 1.00 42.55 H new ATOM 0 HG3 ARG A 20 -25.618 10.605 -20.266 1.00 42.55 H new ATOM 0 HD2 ARG A 20 -26.536 9.313 -22.354 1.00 61.44 H new ATOM 0 HD3 ARG A 20 -26.353 7.880 -21.362 1.00 61.44 H new ATOM 0 HE ARG A 20 -27.819 10.034 -20.021 1.00 1.24 H new ATOM 0 HH11 ARG A 20 -28.016 7.264 -22.200 1.00 60.12 H new ATOM 0 HH12 ARG A 20 -29.728 6.979 -21.869 1.00 60.12 H new ATOM 0 HH21 ARG A 20 -30.017 9.663 -19.602 1.00 23.33 H new ATOM 0 HH22 ARG A 20 -30.857 8.332 -20.405 1.00 23.33 H new ATOM 295 N LEU A 21 -21.227 9.004 -22.546 1.00 2.40 N ATOM 296 CA LEU A 21 -20.123 9.268 -23.463 1.00 42.22 C ATOM 297 C LEU A 21 -20.510 10.324 -24.492 1.00 13.42 C ATOM 298 O LEU A 21 -19.761 11.270 -24.737 1.00 11.24 O ATOM 299 CB LEU A 21 -19.703 7.978 -24.171 1.00 51.21 C ATOM 300 CG LEU A 21 -19.445 6.771 -23.269 1.00 52.23 C ATOM 301 CD1 LEU A 21 -19.888 5.487 -23.955 1.00 2.53 C ATOM 302 CD2 LEU A 21 -17.973 6.693 -22.889 1.00 11.35 C ATOM 0 H LEU A 21 -21.655 8.085 -22.655 1.00 2.40 H new ATOM 0 HA LEU A 21 -19.282 9.646 -22.881 1.00 42.22 H new ATOM 0 HB2 LEU A 21 -20.480 7.711 -24.888 1.00 51.21 H new ATOM 0 HB3 LEU A 21 -18.797 8.179 -24.743 1.00 51.21 H new ATOM 0 HG LEU A 21 -20.029 6.893 -22.357 1.00 52.23 H new ATOM 0 HD11 LEU A 21 -19.697 4.639 -23.298 1.00 2.53 H new ATOM 0 HD12 LEU A 21 -20.954 5.542 -24.176 1.00 2.53 H new ATOM 0 HD13 LEU A 21 -19.331 5.360 -24.883 1.00 2.53 H new ATOM 0 HD21 LEU A 21 -17.808 5.828 -22.247 1.00 11.35 H new ATOM 0 HD22 LEU A 21 -17.369 6.596 -23.791 1.00 11.35 H new ATOM 0 HD23 LEU A 21 -17.686 7.600 -22.357 1.00 11.35 H new ATOM 314 N ARG A 22 -21.685 10.158 -25.090 1.00 13.41 N ATOM 315 CA ARG A 22 -22.172 11.098 -26.092 1.00 35.31 C ATOM 316 C ARG A 22 -23.523 11.678 -25.683 1.00 72.32 C ATOM 317 O ARG A 22 -24.244 11.115 -24.859 1.00 74.31 O ATOM 318 CB ARG A 22 -22.292 10.409 -27.453 1.00 41.23 C ATOM 319 CG ARG A 22 -21.079 10.609 -28.346 1.00 74.41 C ATOM 320 CD ARG A 22 -20.097 9.453 -28.218 1.00 40.22 C ATOM 321 NE ARG A 22 -20.030 8.655 -29.439 1.00 71.45 N ATOM 322 CZ ARG A 22 -19.415 9.055 -30.546 1.00 71.45 C ATOM 323 NH1 ARG A 22 -18.817 10.238 -30.586 1.00 53.12 N1+ ATOM 324 NH2 ARG A 22 -19.396 8.271 -31.616 1.00 33.34 N ATOM 0 H ARG A 22 -22.317 9.381 -24.898 1.00 13.41 H new ATOM 0 HA ARG A 22 -21.453 11.914 -26.167 1.00 35.31 H new ATOM 0 HB2 ARG A 22 -22.446 9.341 -27.298 1.00 41.23 H new ATOM 0 HB3 ARG A 22 -23.176 10.788 -27.966 1.00 41.23 H new ATOM 0 HG2 ARG A 22 -21.401 10.702 -29.383 1.00 74.41 H new ATOM 0 HG3 ARG A 22 -20.581 11.542 -28.082 1.00 74.41 H new ATOM 0 HD2 ARG A 22 -19.106 9.843 -27.985 1.00 40.22 H new ATOM 0 HD3 ARG A 22 -20.393 8.816 -27.384 1.00 40.22 H new ATOM 0 HE ARG A 22 -20.480 7.740 -29.442 1.00 71.45 H new ATOM 0 HH11 ARG A 22 -18.829 10.843 -29.765 1.00 53.12 H new ATOM 0 HH12 ARG A 22 -18.345 10.543 -31.438 1.00 53.12 H new ATOM 0 HH21 ARG A 22 -19.854 7.360 -31.589 1.00 33.34 H new ATOM 0 HH22 ARG A 22 -18.923 8.579 -32.466 1.00 33.34 H new ATOM 338 N PRO A 23 -23.874 12.832 -26.271 1.00 41.14 N ATOM 339 CA PRO A 23 -25.139 13.513 -25.982 1.00 62.21 C ATOM 340 C PRO A 23 -26.344 12.754 -26.529 1.00 1.31 C ATOM 341 O PRO A 23 -27.408 12.731 -25.911 1.00 51.43 O ATOM 342 CB PRO A 23 -24.987 14.859 -26.695 1.00 44.31 C ATOM 343 CG PRO A 23 -24.011 14.600 -27.790 1.00 1.11 C ATOM 344 CD PRO A 23 -23.063 13.559 -27.261 1.00 22.14 C ATOM 0 HA PRO A 23 -25.320 13.600 -24.911 1.00 62.21 H new ATOM 0 HB2 PRO A 23 -25.941 15.208 -27.090 1.00 44.31 H new ATOM 0 HB3 PRO A 23 -24.623 15.629 -26.014 1.00 44.31 H new ATOM 0 HG2 PRO A 23 -24.517 14.247 -28.688 1.00 1.11 H new ATOM 0 HG3 PRO A 23 -23.478 15.511 -28.062 1.00 1.11 H new ATOM 0 HD2 PRO A 23 -22.708 12.899 -28.053 1.00 22.14 H new ATOM 0 HD3 PRO A 23 -22.183 14.012 -26.805 1.00 22.14 H new ATOM 352 N GLY A 24 -26.169 12.134 -27.692 1.00 61.33 N ATOM 353 CA GLY A 24 -27.251 11.382 -28.301 1.00 54.32 C ATOM 354 C GLY A 24 -26.977 9.891 -28.328 1.00 61.51 C ATOM 355 O GLY A 24 -27.229 9.225 -29.330 1.00 30.15 O ATOM 0 H GLY A 24 -25.298 12.139 -28.223 1.00 61.33 H new ATOM 0 HA2 GLY A 24 -28.174 11.569 -27.751 1.00 54.32 H new ATOM 0 HA3 GLY A 24 -27.409 11.738 -29.319 1.00 54.32 H new ATOM 359 N GLY A 25 -26.459 9.366 -27.222 1.00 71.33 N ATOM 360 CA GLY A 25 -26.158 7.948 -27.145 1.00 45.14 C ATOM 361 C GLY A 25 -27.124 7.198 -26.248 1.00 11.40 C ATOM 362 O GLY A 25 -27.976 7.804 -25.597 1.00 30.43 O ATOM 0 H GLY A 25 -26.242 9.897 -26.378 1.00 71.33 H new ATOM 0 HA2 GLY A 25 -26.189 7.518 -28.146 1.00 45.14 H new ATOM 0 HA3 GLY A 25 -25.143 7.815 -26.772 1.00 45.14 H new ATOM 366 N LYS A 26 -26.993 5.876 -26.215 1.00 11.41 N ATOM 367 CA LYS A 26 -27.861 5.042 -25.393 1.00 5.23 C ATOM 368 C LYS A 26 -27.049 4.252 -24.372 1.00 54.44 C ATOM 369 O LYS A 26 -27.465 3.183 -23.926 1.00 74.05 O ATOM 370 CB LYS A 26 -28.663 4.082 -26.275 1.00 3.23 C ATOM 371 CG LYS A 26 -29.943 3.584 -25.624 1.00 34.55 C ATOM 372 CD LYS A 26 -31.154 4.367 -26.103 1.00 35.30 C ATOM 373 CE LYS A 26 -31.747 3.759 -27.364 1.00 34.02 C ATOM 374 NZ LYS A 26 -32.248 2.376 -27.131 1.00 15.12 N1+ ATOM 0 H LYS A 26 -26.294 5.359 -26.748 1.00 11.41 H new ATOM 0 HA LYS A 26 -28.549 5.695 -24.857 1.00 5.23 H new ATOM 0 HB2 LYS A 26 -28.912 4.583 -27.210 1.00 3.23 H new ATOM 0 HB3 LYS A 26 -28.037 3.226 -26.529 1.00 3.23 H new ATOM 0 HG2 LYS A 26 -30.080 2.527 -25.850 1.00 34.55 H new ATOM 0 HG3 LYS A 26 -29.858 3.670 -24.541 1.00 34.55 H new ATOM 0 HD2 LYS A 26 -31.909 4.387 -25.318 1.00 35.30 H new ATOM 0 HD3 LYS A 26 -30.867 5.401 -26.296 1.00 35.30 H new ATOM 0 HE2 LYS A 26 -32.564 4.386 -27.720 1.00 34.02 H new ATOM 0 HE3 LYS A 26 -30.992 3.744 -28.150 1.00 34.02 H new ATOM 0 HZ1 LYS A 26 -33.013 2.166 -27.803 1.00 15.12 H new ATOM 0 HZ2 LYS A 26 -31.471 1.698 -27.268 1.00 15.12 H new ATOM 0 HZ3 LYS A 26 -32.610 2.297 -26.159 1.00 15.12 H new ATOM 388 N LYS A 27 -25.889 4.786 -24.005 1.00 13.32 N ATOM 389 CA LYS A 27 -25.019 4.134 -23.034 1.00 2.10 C ATOM 390 C LYS A 27 -24.366 5.159 -22.113 1.00 11.41 C ATOM 391 O LYS A 27 -24.150 6.307 -22.502 1.00 14.24 O ATOM 392 CB LYS A 27 -23.942 3.318 -23.751 1.00 60.13 C ATOM 393 CG LYS A 27 -24.457 2.015 -24.339 1.00 10.23 C ATOM 394 CD LYS A 27 -23.683 1.622 -25.587 1.00 12.21 C ATOM 395 CE LYS A 27 -23.853 0.145 -25.906 1.00 50.31 C ATOM 396 NZ LYS A 27 -23.079 -0.255 -27.114 1.00 52.41 N1+ ATOM 0 H LYS A 27 -25.530 5.670 -24.366 1.00 13.32 H new ATOM 0 HA LYS A 27 -25.630 3.465 -22.428 1.00 2.10 H new ATOM 0 HB2 LYS A 27 -23.512 3.922 -24.550 1.00 60.13 H new ATOM 0 HB3 LYS A 27 -23.138 3.097 -23.049 1.00 60.13 H new ATOM 0 HG2 LYS A 27 -24.377 1.222 -23.595 1.00 10.23 H new ATOM 0 HG3 LYS A 27 -25.514 2.118 -24.583 1.00 10.23 H new ATOM 0 HD2 LYS A 27 -24.025 2.220 -26.432 1.00 12.21 H new ATOM 0 HD3 LYS A 27 -22.626 1.846 -25.446 1.00 12.21 H new ATOM 0 HE2 LYS A 27 -23.528 -0.450 -25.053 1.00 50.31 H new ATOM 0 HE3 LYS A 27 -24.909 -0.073 -26.063 1.00 50.31 H new ATOM 0 HZ1 LYS A 27 -23.221 -1.269 -27.298 1.00 52.41 H new ATOM 0 HZ2 LYS A 27 -23.406 0.295 -27.934 1.00 52.41 H new ATOM 0 HZ3 LYS A 27 -22.068 -0.071 -26.955 1.00 52.41 H new ATOM 410 N GLN A 28 -24.052 4.738 -20.892 1.00 12.01 N ATOM 411 CA GLN A 28 -23.422 5.620 -19.917 1.00 2.14 C ATOM 412 C GLN A 28 -21.948 5.275 -19.742 1.00 33.41 C ATOM 413 O GLN A 28 -21.414 4.416 -20.445 1.00 34.53 O ATOM 414 CB GLN A 28 -24.144 5.527 -18.572 1.00 10.04 C ATOM 415 CG GLN A 28 -25.659 5.571 -18.689 1.00 35.31 C ATOM 416 CD GLN A 28 -26.353 5.435 -17.349 1.00 61.43 C ATOM 417 OE1 GLN A 28 -26.082 6.192 -16.417 1.00 41.22 O ATOM 418 NE2 GLN A 28 -27.254 4.465 -17.244 1.00 71.20 N ATOM 0 H GLN A 28 -24.224 3.791 -20.554 1.00 12.01 H new ATOM 0 HA GLN A 28 -23.494 6.642 -20.290 1.00 2.14 H new ATOM 0 HB2 GLN A 28 -23.853 4.601 -18.077 1.00 10.04 H new ATOM 0 HB3 GLN A 28 -23.813 6.347 -17.934 1.00 10.04 H new ATOM 0 HG2 GLN A 28 -25.956 6.511 -19.154 1.00 35.31 H new ATOM 0 HG3 GLN A 28 -25.992 4.770 -19.349 1.00 35.31 H new ATOM 0 HE21 GLN A 28 -27.448 3.860 -18.042 1.00 71.20 H new ATOM 0 HE22 GLN A 28 -27.752 4.325 -16.365 1.00 71.20 H new ATOM 427 N TYR A 29 -21.295 5.947 -18.802 1.00 50.31 N ATOM 428 CA TYR A 29 -19.881 5.712 -18.535 1.00 14.44 C ATOM 429 C TYR A 29 -19.693 4.542 -17.576 1.00 43.25 C ATOM 430 O TYR A 29 -20.547 4.275 -16.729 1.00 71.12 O ATOM 431 CB TYR A 29 -19.233 6.971 -17.956 1.00 51.13 C ATOM 432 CG TYR A 29 -18.498 7.802 -18.982 1.00 11.43 C ATOM 433 CD1 TYR A 29 -17.244 7.421 -19.444 1.00 11.24 C ATOM 434 CD2 TYR A 29 -19.056 8.968 -19.491 1.00 2.21 C ATOM 435 CE1 TYR A 29 -16.568 8.178 -20.382 1.00 75.21 C ATOM 436 CE2 TYR A 29 -18.388 9.730 -20.429 1.00 31.13 C ATOM 437 CZ TYR A 29 -17.144 9.331 -20.872 1.00 1.21 C ATOM 438 OH TYR A 29 -16.475 10.088 -21.806 1.00 20.32 O ATOM 0 H TYR A 29 -21.722 6.660 -18.211 1.00 50.31 H new ATOM 0 HA TYR A 29 -19.397 5.464 -19.479 1.00 14.44 H new ATOM 0 HB2 TYR A 29 -20.004 7.584 -17.489 1.00 51.13 H new ATOM 0 HB3 TYR A 29 -18.536 6.682 -17.169 1.00 51.13 H new ATOM 0 HD1 TYR A 29 -16.790 6.518 -19.064 1.00 11.24 H new ATOM 0 HD2 TYR A 29 -20.030 9.284 -19.147 1.00 2.21 H new ATOM 0 HE1 TYR A 29 -15.594 7.868 -20.729 1.00 75.21 H new ATOM 0 HE2 TYR A 29 -18.837 10.634 -20.814 1.00 31.13 H new ATOM 0 HH TYR A 29 -17.068 10.792 -22.142 1.00 20.32 H new ATOM 448 N LYS A 30 -18.570 3.846 -17.713 1.00 43.33 N ATOM 449 CA LYS A 30 -18.267 2.705 -16.858 1.00 42.14 C ATOM 450 C LYS A 30 -16.762 2.560 -16.657 1.00 52.12 C ATOM 451 O LYS A 30 -15.968 3.199 -17.350 1.00 61.11 O ATOM 452 CB LYS A 30 -18.836 1.421 -17.464 1.00 24.34 C ATOM 453 CG LYS A 30 -20.017 0.855 -16.693 1.00 11.34 C ATOM 454 CD LYS A 30 -20.116 -0.653 -16.851 1.00 34.05 C ATOM 455 CE LYS A 30 -21.104 -1.253 -15.865 1.00 64.25 C ATOM 456 NZ LYS A 30 -21.287 -2.715 -16.082 1.00 12.34 N1+ ATOM 0 H LYS A 30 -17.854 4.053 -18.409 1.00 43.33 H new ATOM 0 HA LYS A 30 -18.731 2.878 -15.887 1.00 42.14 H new ATOM 0 HB2 LYS A 30 -19.145 1.619 -18.490 1.00 24.34 H new ATOM 0 HB3 LYS A 30 -18.048 0.670 -17.508 1.00 24.34 H new ATOM 0 HG2 LYS A 30 -19.917 1.105 -15.637 1.00 11.34 H new ATOM 0 HG3 LYS A 30 -20.938 1.320 -17.044 1.00 11.34 H new ATOM 0 HD2 LYS A 30 -20.424 -0.894 -17.868 1.00 34.05 H new ATOM 0 HD3 LYS A 30 -19.134 -1.101 -16.701 1.00 34.05 H new ATOM 0 HE2 LYS A 30 -20.753 -1.078 -14.848 1.00 64.25 H new ATOM 0 HE3 LYS A 30 -22.065 -0.748 -15.962 1.00 64.25 H new ATOM 0 HZ1 LYS A 30 -21.968 -3.086 -15.389 1.00 12.34 H new ATOM 0 HZ2 LYS A 30 -21.646 -2.881 -17.044 1.00 12.34 H new ATOM 0 HZ3 LYS A 30 -20.375 -3.200 -15.964 1.00 12.34 H new ATOM 470 N LEU A 31 -16.375 1.716 -15.707 1.00 43.53 N ATOM 471 CA LEU A 31 -14.964 1.487 -15.415 1.00 32.22 C ATOM 472 C LEU A 31 -14.206 1.085 -16.676 1.00 20.14 C ATOM 473 O LEU A 31 -13.005 1.331 -16.798 1.00 62.43 O ATOM 474 CB LEU A 31 -14.813 0.400 -14.348 1.00 22.15 C ATOM 475 CG LEU A 31 -14.532 0.890 -12.927 1.00 20.52 C ATOM 476 CD1 LEU A 31 -13.186 1.592 -12.861 1.00 52.52 C ATOM 477 CD2 LEU A 31 -15.642 1.817 -12.453 1.00 63.41 C ATOM 0 H LEU A 31 -17.018 1.179 -15.126 1.00 43.53 H new ATOM 0 HA LEU A 31 -14.540 2.418 -15.039 1.00 32.22 H new ATOM 0 HB2 LEU A 31 -15.726 -0.195 -14.332 1.00 22.15 H new ATOM 0 HB3 LEU A 31 -14.004 -0.266 -14.648 1.00 22.15 H new ATOM 0 HG LEU A 31 -14.501 0.025 -12.265 1.00 20.52 H new ATOM 0 HD11 LEU A 31 -13.003 1.934 -11.842 1.00 52.52 H new ATOM 0 HD12 LEU A 31 -12.399 0.899 -13.158 1.00 52.52 H new ATOM 0 HD13 LEU A 31 -13.189 2.448 -13.536 1.00 52.52 H new ATOM 0 HD21 LEU A 31 -15.425 2.156 -11.440 1.00 63.41 H new ATOM 0 HD22 LEU A 31 -15.705 2.678 -13.118 1.00 63.41 H new ATOM 0 HD23 LEU A 31 -16.591 1.282 -12.461 1.00 63.41 H new ATOM 489 N LYS A 32 -14.916 0.468 -17.616 1.00 72.04 N ATOM 490 CA LYS A 32 -14.312 0.035 -18.870 1.00 12.23 C ATOM 491 C LYS A 32 -13.562 1.183 -19.538 1.00 50.32 C ATOM 492 O LYS A 32 -12.564 0.969 -20.227 1.00 24.45 O ATOM 493 CB LYS A 32 -15.386 -0.506 -19.817 1.00 44.23 C ATOM 494 CG LYS A 32 -14.830 -1.055 -21.118 1.00 72.42 C ATOM 495 CD LYS A 32 -14.477 -2.528 -20.995 1.00 54.00 C ATOM 496 CE LYS A 32 -14.744 -3.276 -22.292 1.00 14.22 C ATOM 497 NZ LYS A 32 -15.384 -4.598 -22.048 1.00 12.13 N1+ ATOM 0 H LYS A 32 -15.910 0.257 -17.532 1.00 72.04 H new ATOM 0 HA LYS A 32 -13.600 -0.759 -18.646 1.00 12.23 H new ATOM 0 HB2 LYS A 32 -15.943 -1.293 -19.309 1.00 44.23 H new ATOM 0 HB3 LYS A 32 -16.094 0.291 -20.042 1.00 44.23 H new ATOM 0 HG2 LYS A 32 -15.563 -0.921 -21.914 1.00 72.42 H new ATOM 0 HG3 LYS A 32 -13.943 -0.490 -21.403 1.00 72.42 H new ATOM 0 HD2 LYS A 32 -13.426 -2.630 -20.725 1.00 54.00 H new ATOM 0 HD3 LYS A 32 -15.058 -2.976 -20.189 1.00 54.00 H new ATOM 0 HE2 LYS A 32 -15.388 -2.674 -22.933 1.00 14.22 H new ATOM 0 HE3 LYS A 32 -13.806 -3.420 -22.828 1.00 14.22 H new ATOM 0 HZ1 LYS A 32 -15.550 -5.076 -22.956 1.00 12.13 H new ATOM 0 HZ2 LYS A 32 -14.759 -5.183 -21.458 1.00 12.13 H new ATOM 0 HZ3 LYS A 32 -16.292 -4.459 -21.559 1.00 12.13 H new ATOM 511 N HIS A 33 -14.048 2.402 -19.327 1.00 11.54 N ATOM 512 CA HIS A 33 -13.422 3.586 -19.908 1.00 51.20 C ATOM 513 C HIS A 33 -12.278 4.082 -19.027 1.00 41.11 C ATOM 514 O HIS A 33 -11.310 4.592 -19.592 1.00 43.10 O ATOM 515 CB HIS A 33 -14.455 4.697 -20.093 1.00 1.32 C ATOM 516 CG HIS A 33 -15.715 4.238 -20.761 1.00 34.25 C ATOM 517 ND1 HIS A 33 -16.946 4.258 -20.142 1.00 23.00 N ATOM 518 CD2 HIS A 33 -15.928 3.744 -22.004 1.00 4.31 C ATOM 519 CE1 HIS A 33 -17.863 3.796 -20.974 1.00 44.50 C ATOM 520 NE2 HIS A 33 -17.271 3.478 -22.112 1.00 51.34 N ATOM 0 H HIS A 33 -14.872 2.596 -18.759 1.00 11.54 H new ATOM 0 HA HIS A 33 -13.017 3.311 -20.882 1.00 51.20 H new ATOM 0 HB2 HIS A 33 -14.703 5.118 -19.118 1.00 1.32 H new ATOM 0 HB3 HIS A 33 -14.012 5.499 -20.683 1.00 1.32 H new ATOM 0 HD2 HIS A 33 -15.181 3.588 -22.768 1.00 4.31 H new ATOM 0 HE1 HIS A 33 -18.917 3.695 -20.760 1.00 44.50 H new ATOM 0 HE2 HIS A 33 -17.736 3.097 -22.936 1.00 51.34 H new ATOM 528 N ILE A 34 -12.360 3.951 -17.708 1.00 61.23 N ATOM 529 CA ILE A 34 -11.293 4.408 -16.827 1.00 71.22 C ATOM 530 C ILE A 34 -10.067 3.507 -16.936 1.00 42.14 C ATOM 531 O ILE A 34 -8.930 3.981 -16.905 1.00 62.34 O ATOM 532 CB ILE A 34 -11.754 4.452 -15.358 1.00 4.41 C ATOM 533 CG1 ILE A 34 -13.004 5.325 -15.220 1.00 33.52 C ATOM 534 CG2 ILE A 34 -10.637 4.974 -14.467 1.00 3.22 C ATOM 535 CD1 ILE A 34 -13.677 5.207 -13.871 1.00 72.32 C ATOM 0 H ILE A 34 -13.155 3.532 -17.225 1.00 61.23 H new ATOM 0 HA ILE A 34 -11.031 5.416 -17.147 1.00 71.22 H new ATOM 0 HB ILE A 34 -12.002 3.439 -15.040 1.00 4.41 H new ATOM 0 HG12 ILE A 34 -12.731 6.366 -15.391 1.00 33.52 H new ATOM 0 HG13 ILE A 34 -13.717 5.051 -15.998 1.00 33.52 H new ATOM 0 HG21 ILE A 34 -10.979 4.999 -13.432 1.00 3.22 H new ATOM 0 HG22 ILE A 34 -9.771 4.317 -14.547 1.00 3.22 H new ATOM 0 HG23 ILE A 34 -10.360 5.980 -14.782 1.00 3.22 H new ATOM 0 HD11 ILE A 34 -14.555 5.853 -13.845 1.00 72.32 H new ATOM 0 HD12 ILE A 34 -13.982 4.174 -13.705 1.00 72.32 H new ATOM 0 HD13 ILE A 34 -12.980 5.510 -13.089 1.00 72.32 H new ATOM 547 N VAL A 35 -10.305 2.206 -17.065 1.00 54.41 N ATOM 548 CA VAL A 35 -9.220 1.238 -17.181 1.00 42.22 C ATOM 549 C VAL A 35 -8.556 1.319 -18.551 1.00 63.52 C ATOM 550 O VAL A 35 -7.331 1.295 -18.660 1.00 72.32 O ATOM 551 CB VAL A 35 -9.724 -0.199 -16.951 1.00 41.53 C ATOM 552 CG1 VAL A 35 -8.584 -1.196 -17.104 1.00 2.54 C ATOM 553 CG2 VAL A 35 -10.370 -0.323 -15.579 1.00 33.11 C ATOM 0 H VAL A 35 -11.239 1.798 -17.092 1.00 54.41 H new ATOM 0 HA VAL A 35 -8.489 1.487 -16.411 1.00 42.22 H new ATOM 0 HB VAL A 35 -10.478 -0.426 -17.705 1.00 41.53 H new ATOM 0 HG11 VAL A 35 -8.959 -2.206 -16.938 1.00 2.54 H new ATOM 0 HG12 VAL A 35 -8.170 -1.124 -18.110 1.00 2.54 H new ATOM 0 HG13 VAL A 35 -7.806 -0.974 -16.374 1.00 2.54 H new ATOM 0 HG21 VAL A 35 -10.721 -1.345 -15.433 1.00 33.11 H new ATOM 0 HG22 VAL A 35 -9.639 -0.077 -14.809 1.00 33.11 H new ATOM 0 HG23 VAL A 35 -11.214 0.363 -15.511 1.00 33.11 H new ATOM 563 N TRP A 36 -9.374 1.415 -19.593 1.00 24.01 N ATOM 564 CA TRP A 36 -8.866 1.500 -20.958 1.00 33.11 C ATOM 565 C TRP A 36 -7.862 2.640 -21.095 1.00 70.25 C ATOM 566 O TRP A 36 -6.758 2.448 -21.603 1.00 2.04 O ATOM 567 CB TRP A 36 -10.019 1.699 -21.942 1.00 22.24 C ATOM 568 CG TRP A 36 -9.564 1.940 -23.350 1.00 51.30 C ATOM 569 CD1 TRP A 36 -9.184 0.997 -24.261 1.00 71.33 C ATOM 570 CD2 TRP A 36 -9.440 3.206 -24.005 1.00 4.32 C ATOM 571 NE1 TRP A 36 -8.831 1.600 -25.444 1.00 51.32 N ATOM 572 CE2 TRP A 36 -8.981 2.956 -25.313 1.00 53.24 C ATOM 573 CE3 TRP A 36 -9.676 4.528 -23.616 1.00 54.14 C ATOM 574 CZ2 TRP A 36 -8.750 3.978 -26.230 1.00 45.11 C ATOM 575 CZ3 TRP A 36 -9.447 5.542 -24.527 1.00 30.32 C ATOM 576 CH2 TRP A 36 -8.989 5.262 -25.821 1.00 13.22 C ATOM 0 H TRP A 36 -10.391 1.436 -19.519 1.00 24.01 H new ATOM 0 HA TRP A 36 -8.358 0.564 -21.189 1.00 33.11 H new ATOM 0 HB2 TRP A 36 -10.661 0.818 -21.921 1.00 22.24 H new ATOM 0 HB3 TRP A 36 -10.625 2.543 -21.614 1.00 22.24 H new ATOM 0 HD1 TRP A 36 -9.164 -0.067 -24.079 1.00 71.33 H new ATOM 0 HE1 TRP A 36 -8.510 1.117 -26.283 1.00 51.32 H new ATOM 0 HE3 TRP A 36 -10.031 4.753 -22.621 1.00 54.14 H new ATOM 0 HZ2 TRP A 36 -8.395 3.765 -27.228 1.00 45.11 H new ATOM 0 HZ3 TRP A 36 -9.624 6.567 -24.236 1.00 30.32 H new ATOM 0 HH2 TRP A 36 -8.821 6.076 -26.510 1.00 13.22 H new ATOM 587 N ALA A 37 -8.253 3.825 -20.637 1.00 74.42 N ATOM 588 CA ALA A 37 -7.385 4.994 -20.707 1.00 52.20 C ATOM 589 C ALA A 37 -6.086 4.760 -19.944 1.00 71.21 C ATOM 590 O ALA A 37 -5.004 5.097 -20.424 1.00 10.11 O ATOM 591 CB ALA A 37 -8.105 6.219 -20.164 1.00 22.53 C ATOM 0 H ALA A 37 -9.164 4.001 -20.214 1.00 74.42 H new ATOM 0 HA ALA A 37 -7.134 5.168 -21.754 1.00 52.20 H new ATOM 0 HB1 ALA A 37 -7.445 7.085 -20.222 1.00 22.53 H new ATOM 0 HB2 ALA A 37 -9.002 6.406 -20.755 1.00 22.53 H new ATOM 0 HB3 ALA A 37 -8.385 6.046 -19.125 1.00 22.53 H new ATOM 597 N SER A 38 -6.201 4.182 -18.753 1.00 51.34 N ATOM 598 CA SER A 38 -5.035 3.907 -17.921 1.00 43.43 C ATOM 599 C SER A 38 -3.976 3.140 -18.706 1.00 51.04 C ATOM 600 O SER A 38 -2.788 3.457 -18.641 1.00 31.31 O ATOM 601 CB SER A 38 -5.443 3.111 -16.680 1.00 0.34 C ATOM 602 OG SER A 38 -5.074 1.748 -16.804 1.00 11.55 O ATOM 0 H SER A 38 -7.089 3.895 -18.342 1.00 51.34 H new ATOM 0 HA SER A 38 -4.610 4.861 -17.608 1.00 43.43 H new ATOM 0 HB2 SER A 38 -4.970 3.540 -15.797 1.00 0.34 H new ATOM 0 HB3 SER A 38 -6.520 3.187 -16.533 1.00 0.34 H new ATOM 0 HG SER A 38 -5.696 1.295 -17.411 1.00 11.55 H new ATOM 608 N ARG A 39 -4.416 2.128 -19.447 1.00 51.31 N ATOM 609 CA ARG A 39 -3.506 1.314 -20.244 1.00 62.43 C ATOM 610 C ARG A 39 -2.889 2.134 -21.373 1.00 64.50 C ATOM 611 O ARG A 39 -1.795 1.829 -21.846 1.00 14.52 O ATOM 612 CB ARG A 39 -4.245 0.105 -20.822 1.00 33.01 C ATOM 613 CG ARG A 39 -3.328 -0.907 -21.490 1.00 13.22 C ATOM 614 CD ARG A 39 -4.120 -1.967 -22.239 1.00 30.51 C ATOM 615 NE ARG A 39 -3.546 -2.256 -23.550 1.00 75.13 N ATOM 616 CZ ARG A 39 -4.157 -2.986 -24.476 1.00 71.21 C ATOM 617 NH1 ARG A 39 -5.356 -3.498 -24.236 1.00 11.20 N1+ ATOM 618 NH2 ARG A 39 -3.569 -3.205 -25.646 1.00 52.11 N ATOM 0 H ARG A 39 -5.396 1.852 -19.512 1.00 51.31 H new ATOM 0 HA ARG A 39 -2.705 0.965 -19.593 1.00 62.43 H new ATOM 0 HB2 ARG A 39 -4.797 -0.389 -20.022 1.00 33.01 H new ATOM 0 HB3 ARG A 39 -4.980 0.452 -21.549 1.00 33.01 H new ATOM 0 HG2 ARG A 39 -2.660 -0.394 -22.182 1.00 13.22 H new ATOM 0 HG3 ARG A 39 -2.701 -1.384 -20.737 1.00 13.22 H new ATOM 0 HD2 ARG A 39 -4.151 -2.882 -21.647 1.00 30.51 H new ATOM 0 HD3 ARG A 39 -5.150 -1.631 -22.360 1.00 30.51 H new ATOM 0 HE ARG A 39 -2.625 -1.876 -23.767 1.00 75.13 H new ATOM 0 HH11 ARG A 39 -5.811 -3.332 -23.339 1.00 11.20 H new ATOM 0 HH12 ARG A 39 -5.823 -4.058 -24.949 1.00 11.20 H new ATOM 0 HH21 ARG A 39 -2.647 -2.812 -25.835 1.00 52.11 H new ATOM 0 HH22 ARG A 39 -4.040 -3.766 -26.356 1.00 52.11 H new ATOM 632 N GLU A 40 -3.600 3.173 -21.799 1.00 50.11 N ATOM 633 CA GLU A 40 -3.121 4.036 -22.873 1.00 24.25 C ATOM 634 C GLU A 40 -2.167 5.097 -22.334 1.00 30.21 C ATOM 635 O GLU A 40 -1.277 5.567 -23.045 1.00 44.30 O ATOM 636 CB GLU A 40 -4.300 4.706 -23.581 1.00 1.45 C ATOM 637 CG GLU A 40 -4.036 5.011 -25.047 1.00 73.34 C ATOM 638 CD GLU A 40 -4.501 3.897 -25.966 1.00 15.44 C ATOM 639 OE1 GLU A 40 -5.631 3.403 -25.777 1.00 53.41 O1- ATOM 640 OE2 GLU A 40 -3.732 3.521 -26.876 1.00 33.52 O ATOM 0 H GLU A 40 -4.508 3.438 -21.418 1.00 50.11 H new ATOM 0 HA GLU A 40 -2.580 3.417 -23.589 1.00 24.25 H new ATOM 0 HB2 GLU A 40 -5.174 4.059 -23.505 1.00 1.45 H new ATOM 0 HB3 GLU A 40 -4.544 5.634 -23.064 1.00 1.45 H new ATOM 0 HG2 GLU A 40 -4.543 5.937 -25.319 1.00 73.34 H new ATOM 0 HG3 GLU A 40 -2.969 5.177 -25.194 1.00 73.34 H new ATOM 647 N LEU A 41 -2.358 5.471 -21.074 1.00 73.21 N ATOM 648 CA LEU A 41 -1.515 6.478 -20.438 1.00 73.11 C ATOM 649 C LEU A 41 -0.077 5.985 -20.314 1.00 22.51 C ATOM 650 O LEU A 41 0.863 6.683 -20.692 1.00 21.02 O ATOM 651 CB LEU A 41 -2.065 6.833 -19.056 1.00 3.24 C ATOM 652 CG LEU A 41 -3.060 7.994 -19.007 1.00 72.41 C ATOM 653 CD1 LEU A 41 -3.572 8.198 -17.590 1.00 4.20 C ATOM 654 CD2 LEU A 41 -2.418 9.269 -19.534 1.00 32.15 C ATOM 0 H LEU A 41 -3.089 5.092 -20.472 1.00 73.21 H new ATOM 0 HA LEU A 41 -1.521 7.370 -21.065 1.00 73.11 H new ATOM 0 HB2 LEU A 41 -2.549 5.949 -18.641 1.00 3.24 H new ATOM 0 HB3 LEU A 41 -1.225 7.073 -18.403 1.00 3.24 H new ATOM 0 HG LEU A 41 -3.908 7.748 -19.646 1.00 72.41 H new ATOM 0 HD11 LEU A 41 -4.279 9.028 -17.574 1.00 4.20 H new ATOM 0 HD12 LEU A 41 -4.070 7.291 -17.249 1.00 4.20 H new ATOM 0 HD13 LEU A 41 -2.735 8.422 -16.929 1.00 4.20 H new ATOM 0 HD21 LEU A 41 -3.140 10.084 -19.492 1.00 32.15 H new ATOM 0 HD22 LEU A 41 -1.551 9.520 -18.922 1.00 32.15 H new ATOM 0 HD23 LEU A 41 -2.102 9.117 -20.566 1.00 32.15 H new ATOM 666 N GLU A 42 0.086 4.776 -19.784 1.00 62.20 N ATOM 667 CA GLU A 42 1.410 4.190 -19.612 1.00 24.52 C ATOM 668 C GLU A 42 2.167 4.160 -20.936 1.00 22.23 C ATOM 669 O GLU A 42 3.398 4.172 -20.960 1.00 2.35 O ATOM 670 CB GLU A 42 1.294 2.773 -19.045 1.00 2.15 C ATOM 671 CG GLU A 42 1.640 2.678 -17.569 1.00 51.33 C ATOM 672 CD GLU A 42 2.967 1.985 -17.324 1.00 2.35 C ATOM 673 OE1 GLU A 42 4.005 2.521 -17.766 1.00 63.03 O ATOM 674 OE2 GLU A 42 2.967 0.908 -16.692 1.00 2.43 O1- ATOM 0 H GLU A 42 -0.682 4.184 -19.467 1.00 62.20 H new ATOM 0 HA GLU A 42 1.967 4.810 -18.909 1.00 24.52 H new ATOM 0 HB2 GLU A 42 0.276 2.413 -19.195 1.00 2.15 H new ATOM 0 HB3 GLU A 42 1.952 2.111 -19.607 1.00 2.15 H new ATOM 0 HG2 GLU A 42 1.674 3.680 -17.142 1.00 51.33 H new ATOM 0 HG3 GLU A 42 0.850 2.136 -17.049 1.00 51.33 H new ATOM 681 N ARG A 43 1.422 4.119 -22.036 1.00 12.25 N ATOM 682 CA ARG A 43 2.023 4.085 -23.364 1.00 2.33 C ATOM 683 C ARG A 43 2.635 5.437 -23.720 1.00 22.10 C ATOM 684 O ARG A 43 3.593 5.515 -24.489 1.00 4.00 O ATOM 685 CB ARG A 43 0.977 3.696 -24.411 1.00 73.33 C ATOM 686 CG ARG A 43 1.017 2.225 -24.794 1.00 10.05 C ATOM 687 CD ARG A 43 1.224 2.046 -26.290 1.00 32.04 C ATOM 688 NE ARG A 43 1.770 0.731 -26.613 1.00 54.05 N ATOM 689 CZ ARG A 43 3.042 0.396 -26.423 1.00 71.14 C ATOM 690 NH1 ARG A 43 3.893 1.276 -25.915 1.00 43.42 N1+ ATOM 691 NH2 ARG A 43 3.464 -0.821 -26.742 1.00 5.20 N ATOM 0 H ARG A 43 0.402 4.109 -22.034 1.00 12.25 H new ATOM 0 HA ARG A 43 2.816 3.337 -23.356 1.00 2.33 H new ATOM 0 HB2 ARG A 43 -0.015 3.936 -24.028 1.00 73.33 H new ATOM 0 HB3 ARG A 43 1.128 4.300 -25.306 1.00 73.33 H new ATOM 0 HG2 ARG A 43 1.822 1.728 -24.252 1.00 10.05 H new ATOM 0 HG3 ARG A 43 0.086 1.744 -24.494 1.00 10.05 H new ATOM 0 HD2 ARG A 43 0.273 2.181 -26.806 1.00 32.04 H new ATOM 0 HD3 ARG A 43 1.899 2.819 -26.658 1.00 32.04 H new ATOM 0 HE ARG A 43 1.141 0.031 -27.006 1.00 54.05 H new ATOM 0 HH11 ARG A 43 3.572 2.212 -25.669 1.00 43.42 H new ATOM 0 HH12 ARG A 43 4.869 1.017 -25.770 1.00 43.42 H new ATOM 0 HH21 ARG A 43 2.812 -1.501 -27.134 1.00 5.20 H new ATOM 0 HH22 ARG A 43 4.440 -1.077 -26.596 1.00 5.20 H new ATOM 705 N PHE A 44 2.073 6.501 -23.155 1.00 3.23 N ATOM 706 CA PHE A 44 2.562 7.851 -23.412 1.00 30.51 C ATOM 707 C PHE A 44 3.524 8.300 -22.316 1.00 31.31 C ATOM 708 O PHE A 44 3.679 9.494 -22.063 1.00 63.22 O ATOM 709 CB PHE A 44 1.390 8.830 -23.511 1.00 63.02 C ATOM 710 CG PHE A 44 0.345 8.417 -24.508 1.00 61.20 C ATOM 711 CD1 PHE A 44 0.683 8.196 -25.833 1.00 34.34 C ATOM 712 CD2 PHE A 44 -0.974 8.250 -24.120 1.00 4.30 C ATOM 713 CE1 PHE A 44 -0.276 7.817 -26.752 1.00 34.55 C ATOM 714 CE2 PHE A 44 -1.938 7.870 -25.035 1.00 12.31 C ATOM 715 CZ PHE A 44 -1.588 7.653 -26.354 1.00 73.24 C ATOM 0 H PHE A 44 1.279 6.454 -22.516 1.00 3.23 H new ATOM 0 HA PHE A 44 3.100 7.841 -24.360 1.00 30.51 H new ATOM 0 HB2 PHE A 44 0.926 8.928 -22.530 1.00 63.02 H new ATOM 0 HB3 PHE A 44 1.771 9.814 -23.783 1.00 63.02 H new ATOM 0 HD1 PHE A 44 1.707 8.321 -26.151 1.00 34.34 H new ATOM 0 HD2 PHE A 44 -1.253 8.419 -23.090 1.00 4.30 H new ATOM 0 HE1 PHE A 44 0.000 7.649 -27.782 1.00 34.55 H new ATOM 0 HE2 PHE A 44 -2.963 7.743 -24.719 1.00 12.31 H new ATOM 0 HZ PHE A 44 -2.338 7.356 -27.072 1.00 73.24 H new ATOM 725 N ALA A 45 4.167 7.333 -21.670 1.00 53.41 N ATOM 726 CA ALA A 45 5.115 7.628 -20.603 1.00 60.44 C ATOM 727 C ALA A 45 4.420 8.294 -19.420 1.00 42.10 C ATOM 728 O ALA A 45 5.056 8.982 -18.621 1.00 73.42 O ATOM 729 CB ALA A 45 6.239 8.511 -21.124 1.00 22.21 C ATOM 0 H ALA A 45 4.049 6.339 -21.867 1.00 53.41 H new ATOM 0 HA ALA A 45 5.540 6.686 -20.257 1.00 60.44 H new ATOM 0 HB1 ALA A 45 6.939 8.723 -20.316 1.00 22.21 H new ATOM 0 HB2 ALA A 45 6.761 7.997 -21.931 1.00 22.21 H new ATOM 0 HB3 ALA A 45 5.823 9.446 -21.499 1.00 22.21 H new ATOM 735 N VAL A 46 3.111 8.088 -19.315 1.00 32.13 N ATOM 736 CA VAL A 46 2.330 8.669 -18.230 1.00 33.21 C ATOM 737 C VAL A 46 1.711 7.584 -17.356 1.00 72.11 C ATOM 738 O VAL A 46 1.084 6.651 -17.858 1.00 41.40 O ATOM 739 CB VAL A 46 1.211 9.580 -18.768 1.00 33.04 C ATOM 740 CG1 VAL A 46 0.381 10.141 -17.624 1.00 62.44 C ATOM 741 CG2 VAL A 46 1.797 10.701 -19.612 1.00 53.10 C ATOM 0 H VAL A 46 2.569 7.523 -19.969 1.00 32.13 H new ATOM 0 HA VAL A 46 3.017 9.266 -17.631 1.00 33.21 H new ATOM 0 HB VAL A 46 0.555 8.984 -19.402 1.00 33.04 H new ATOM 0 HG11 VAL A 46 -0.404 10.782 -18.025 1.00 62.44 H new ATOM 0 HG12 VAL A 46 -0.070 9.321 -17.065 1.00 62.44 H new ATOM 0 HG13 VAL A 46 1.021 10.723 -16.961 1.00 62.44 H new ATOM 0 HG21 VAL A 46 0.992 11.335 -19.984 1.00 53.10 H new ATOM 0 HG22 VAL A 46 2.477 11.297 -19.004 1.00 53.10 H new ATOM 0 HG23 VAL A 46 2.342 10.275 -20.454 1.00 53.10 H new ATOM 751 N ASN A 47 1.891 7.712 -16.045 1.00 12.51 N ATOM 752 CA ASN A 47 1.350 6.742 -15.101 1.00 5.21 C ATOM 753 C ASN A 47 -0.164 6.885 -14.983 1.00 45.13 C ATOM 754 O ASN A 47 -0.713 7.987 -15.009 1.00 42.33 O ATOM 755 CB ASN A 47 1.999 6.920 -13.726 1.00 35.05 C ATOM 756 CG ASN A 47 3.506 7.062 -13.814 1.00 52.34 C ATOM 757 OD1 ASN A 47 4.125 6.644 -14.792 1.00 34.00 O ATOM 758 ND2 ASN A 47 4.104 7.655 -12.787 1.00 54.11 N ATOM 0 H ASN A 47 2.407 8.478 -15.613 1.00 12.51 H new ATOM 0 HA ASN A 47 1.575 5.743 -15.475 1.00 5.21 H new ATOM 0 HB2 ASN A 47 1.581 7.802 -13.241 1.00 35.05 H new ATOM 0 HB3 ASN A 47 1.753 6.064 -13.097 1.00 35.05 H new ATOM 0 HD21 ASN A 47 5.116 7.779 -12.789 1.00 54.11 H new ATOM 0 HD22 ASN A 47 3.551 7.986 -11.997 1.00 54.11 H new ATOM 765 N PRO A 48 -0.858 5.744 -14.848 1.00 54.41 N ATOM 766 CA PRO A 48 -2.318 5.716 -14.721 1.00 33.24 C ATOM 767 C PRO A 48 -2.795 6.277 -13.387 1.00 1.41 C ATOM 768 O PRO A 48 -3.992 6.473 -13.177 1.00 40.31 O ATOM 769 CB PRO A 48 -2.654 4.226 -14.825 1.00 52.00 C ATOM 770 CG PRO A 48 -1.418 3.527 -14.376 1.00 52.04 C ATOM 771 CD PRO A 48 -0.269 4.396 -14.809 1.00 31.21 C ATOM 0 HA PRO A 48 -2.805 6.331 -15.478 1.00 33.24 H new ATOM 0 HB2 PRO A 48 -3.506 3.967 -14.196 1.00 52.00 H new ATOM 0 HB3 PRO A 48 -2.916 3.950 -15.846 1.00 52.00 H new ATOM 0 HG2 PRO A 48 -1.418 3.391 -13.295 1.00 52.04 H new ATOM 0 HG3 PRO A 48 -1.347 2.535 -14.822 1.00 52.04 H new ATOM 0 HD2 PRO A 48 0.563 4.341 -14.107 1.00 31.21 H new ATOM 0 HD3 PRO A 48 0.116 4.097 -15.784 1.00 31.21 H new ATOM 779 N GLY A 49 -1.852 6.536 -12.487 1.00 54.14 N ATOM 780 CA GLY A 49 -2.196 7.074 -11.183 1.00 13.03 C ATOM 781 C GLY A 49 -2.340 8.582 -11.199 1.00 42.43 C ATOM 782 O GLY A 49 -2.399 9.219 -10.145 1.00 55.04 O ATOM 0 H GLY A 49 -0.855 6.383 -12.637 1.00 54.14 H new ATOM 0 HA2 GLY A 49 -3.130 6.626 -10.843 1.00 13.03 H new ATOM 0 HA3 GLY A 49 -1.427 6.793 -10.463 1.00 13.03 H new ATOM 786 N LEU A 50 -2.396 9.158 -12.394 1.00 12.53 N ATOM 787 CA LEU A 50 -2.532 10.603 -12.542 1.00 74.21 C ATOM 788 C LEU A 50 -3.990 10.992 -12.761 1.00 3.21 C ATOM 789 O LEU A 50 -4.399 12.111 -12.445 1.00 4.24 O ATOM 790 CB LEU A 50 -1.679 11.099 -13.712 1.00 62.32 C ATOM 791 CG LEU A 50 -0.171 10.876 -13.585 1.00 24.20 C ATOM 792 CD1 LEU A 50 0.564 11.525 -14.746 1.00 3.14 C ATOM 793 CD2 LEU A 50 0.338 11.419 -12.258 1.00 72.13 C ATOM 0 H LEU A 50 -2.349 8.647 -13.275 1.00 12.53 H new ATOM 0 HA LEU A 50 -2.183 11.072 -11.622 1.00 74.21 H new ATOM 0 HB2 LEU A 50 -2.024 10.607 -14.621 1.00 62.32 H new ATOM 0 HB3 LEU A 50 -1.859 12.166 -13.840 1.00 62.32 H new ATOM 0 HG LEU A 50 0.022 9.804 -13.614 1.00 24.20 H new ATOM 0 HD11 LEU A 50 1.635 11.356 -14.638 1.00 3.14 H new ATOM 0 HD12 LEU A 50 0.220 11.089 -15.684 1.00 3.14 H new ATOM 0 HD13 LEU A 50 0.364 12.597 -14.750 1.00 3.14 H new ATOM 0 HD21 LEU A 50 1.413 11.252 -12.185 1.00 72.13 H new ATOM 0 HD22 LEU A 50 0.132 12.488 -12.199 1.00 72.13 H new ATOM 0 HD23 LEU A 50 -0.166 10.907 -11.438 1.00 72.13 H new ATOM 805 N LEU A 51 -4.771 10.064 -13.301 1.00 63.24 N ATOM 806 CA LEU A 51 -6.186 10.309 -13.559 1.00 70.43 C ATOM 807 C LEU A 51 -6.954 10.491 -12.254 1.00 30.11 C ATOM 808 O LEU A 51 -7.993 11.149 -12.222 1.00 44.12 O ATOM 809 CB LEU A 51 -6.786 9.152 -14.360 1.00 74.13 C ATOM 810 CG LEU A 51 -6.123 8.852 -15.705 1.00 72.52 C ATOM 811 CD1 LEU A 51 -6.341 7.398 -16.094 1.00 11.04 C ATOM 812 CD2 LEU A 51 -6.659 9.782 -16.783 1.00 63.50 C ATOM 0 H LEU A 51 -4.449 9.134 -13.569 1.00 63.24 H new ATOM 0 HA LEU A 51 -6.270 11.228 -14.140 1.00 70.43 H new ATOM 0 HB2 LEU A 51 -6.743 8.251 -13.747 1.00 74.13 H new ATOM 0 HB3 LEU A 51 -7.840 9.367 -14.537 1.00 74.13 H new ATOM 0 HG LEU A 51 -5.051 9.023 -15.607 1.00 72.52 H new ATOM 0 HD11 LEU A 51 -5.862 7.202 -17.054 1.00 11.04 H new ATOM 0 HD12 LEU A 51 -5.907 6.749 -15.333 1.00 11.04 H new ATOM 0 HD13 LEU A 51 -7.410 7.199 -16.174 1.00 11.04 H new ATOM 0 HD21 LEU A 51 -6.176 9.554 -17.733 1.00 63.50 H new ATOM 0 HD22 LEU A 51 -7.736 9.643 -16.881 1.00 63.50 H new ATOM 0 HD23 LEU A 51 -6.450 10.816 -16.508 1.00 63.50 H new ATOM 824 N GLU A 52 -6.434 9.905 -11.179 1.00 12.15 N ATOM 825 CA GLU A 52 -7.071 10.005 -9.872 1.00 2.00 C ATOM 826 C GLU A 52 -6.821 11.374 -9.248 1.00 2.52 C ATOM 827 O GLU A 52 -7.362 11.697 -8.190 1.00 71.14 O ATOM 828 CB GLU A 52 -6.553 8.906 -8.943 1.00 62.43 C ATOM 829 CG GLU A 52 -5.070 9.021 -8.632 1.00 50.34 C ATOM 830 CD GLU A 52 -4.801 9.304 -7.166 1.00 23.42 C ATOM 831 OE1 GLU A 52 -5.468 10.195 -6.602 1.00 51.34 O1- ATOM 832 OE2 GLU A 52 -3.923 8.632 -6.585 1.00 33.12 O ATOM 0 H GLU A 52 -5.574 9.357 -11.188 1.00 12.15 H new ATOM 0 HA GLU A 52 -8.145 9.879 -10.009 1.00 2.00 H new ATOM 0 HB2 GLU A 52 -7.115 8.936 -8.009 1.00 62.43 H new ATOM 0 HB3 GLU A 52 -6.746 7.935 -9.400 1.00 62.43 H new ATOM 0 HG2 GLU A 52 -4.570 8.095 -8.917 1.00 50.34 H new ATOM 0 HG3 GLU A 52 -4.636 9.817 -9.237 1.00 50.34 H new ATOM 839 N THR A 53 -5.996 12.179 -9.911 1.00 34.34 N ATOM 840 CA THR A 53 -5.671 13.512 -9.422 1.00 1.42 C ATOM 841 C THR A 53 -6.138 14.586 -10.399 1.00 61.11 C ATOM 842 O THR A 53 -5.878 14.501 -11.599 1.00 3.01 O ATOM 843 CB THR A 53 -4.157 13.672 -9.188 1.00 51.42 C ATOM 844 OG1 THR A 53 -3.458 13.596 -10.435 1.00 41.22 O ATOM 845 CG2 THR A 53 -3.640 12.598 -8.244 1.00 54.15 C ATOM 0 H THR A 53 -5.541 11.930 -10.789 1.00 34.34 H new ATOM 0 HA THR A 53 -6.193 13.635 -8.473 1.00 1.42 H new ATOM 0 HB THR A 53 -3.982 14.647 -8.734 1.00 51.42 H new ATOM 0 HG1 THR A 53 -4.026 13.157 -11.102 1.00 41.22 H new ATOM 0 HG21 THR A 53 -2.569 12.731 -8.094 1.00 54.15 H new ATOM 0 HG22 THR A 53 -4.154 12.678 -7.286 1.00 54.15 H new ATOM 0 HG23 THR A 53 -3.827 11.614 -8.675 1.00 54.15 H new ATOM 853 N SER A 54 -6.828 15.594 -9.878 1.00 24.22 N ATOM 854 CA SER A 54 -7.335 16.683 -10.705 1.00 23.43 C ATOM 855 C SER A 54 -6.205 17.336 -11.495 1.00 22.55 C ATOM 856 O SER A 54 -6.430 17.909 -12.561 1.00 72.54 O ATOM 857 CB SER A 54 -8.036 17.730 -9.836 1.00 32.42 C ATOM 858 OG SER A 54 -7.130 18.738 -9.423 1.00 23.11 O ATOM 0 H SER A 54 -7.049 15.680 -8.886 1.00 24.22 H new ATOM 0 HA SER A 54 -8.055 16.266 -11.409 1.00 23.43 H new ATOM 0 HB2 SER A 54 -8.857 18.181 -10.394 1.00 32.42 H new ATOM 0 HB3 SER A 54 -8.473 17.248 -8.961 1.00 32.42 H new ATOM 0 HG SER A 54 -7.602 19.396 -8.871 1.00 23.11 H new ATOM 864 N GLU A 55 -4.989 17.243 -10.965 1.00 63.20 N ATOM 865 CA GLU A 55 -3.824 17.825 -11.619 1.00 24.40 C ATOM 866 C GLU A 55 -3.255 16.871 -12.664 1.00 34.43 C ATOM 867 O GLU A 55 -2.927 17.276 -13.779 1.00 72.01 O ATOM 868 CB GLU A 55 -2.750 18.168 -10.586 1.00 53.33 C ATOM 869 CG GLU A 55 -2.703 19.642 -10.223 1.00 42.21 C ATOM 870 CD GLU A 55 -1.720 19.938 -9.106 1.00 32.13 C ATOM 871 OE1 GLU A 55 -1.705 19.181 -8.113 1.00 41.41 O1- ATOM 872 OE2 GLU A 55 -0.966 20.926 -9.226 1.00 11.23 O ATOM 0 H GLU A 55 -4.786 16.770 -10.084 1.00 63.20 H new ATOM 0 HA GLU A 55 -4.139 18.740 -12.121 1.00 24.40 H new ATOM 0 HB2 GLU A 55 -2.928 17.585 -9.682 1.00 53.33 H new ATOM 0 HB3 GLU A 55 -1.777 17.867 -10.973 1.00 53.33 H new ATOM 0 HG2 GLU A 55 -2.430 20.221 -11.105 1.00 42.21 H new ATOM 0 HG3 GLU A 55 -3.698 19.970 -9.922 1.00 42.21 H new ATOM 879 N GLY A 56 -3.138 15.598 -12.296 1.00 5.00 N ATOM 880 CA GLY A 56 -2.607 14.606 -13.211 1.00 23.41 C ATOM 881 C GLY A 56 -3.338 14.591 -14.539 1.00 3.31 C ATOM 882 O GLY A 56 -2.749 14.287 -15.576 1.00 32.44 O ATOM 0 H GLY A 56 -3.402 15.237 -11.379 1.00 5.00 H new ATOM 0 HA2 GLY A 56 -1.549 14.805 -13.384 1.00 23.41 H new ATOM 0 HA3 GLY A 56 -2.674 13.620 -12.752 1.00 23.41 H new ATOM 886 N CYS A 57 -4.625 14.920 -14.508 1.00 40.24 N ATOM 887 CA CYS A 57 -5.438 14.942 -15.719 1.00 44.14 C ATOM 888 C CYS A 57 -5.118 16.169 -16.567 1.00 61.34 C ATOM 889 O CYS A 57 -5.051 16.087 -17.793 1.00 53.52 O ATOM 890 CB CYS A 57 -6.925 14.930 -15.359 1.00 51.03 C ATOM 891 SG CYS A 57 -7.685 13.291 -15.418 1.00 73.13 S ATOM 0 H CYS A 57 -5.128 15.175 -13.658 1.00 40.24 H new ATOM 0 HA CYS A 57 -5.204 14.050 -16.301 1.00 44.14 H new ATOM 0 HB2 CYS A 57 -7.049 15.340 -14.357 1.00 51.03 H new ATOM 0 HB3 CYS A 57 -7.459 15.591 -16.042 1.00 51.03 H new ATOM 0 HG CYS A 57 -8.941 13.383 -15.096 1.00 73.13 H new ATOM 897 N ARG A 58 -4.922 17.304 -15.904 1.00 12.45 N ATOM 898 CA ARG A 58 -4.611 18.549 -16.599 1.00 62.22 C ATOM 899 C ARG A 58 -3.406 18.373 -17.518 1.00 61.25 C ATOM 900 O ARG A 58 -3.412 18.836 -18.658 1.00 31.41 O ATOM 901 CB ARG A 58 -4.337 19.665 -15.589 1.00 1.43 C ATOM 902 CG ARG A 58 -4.375 21.058 -16.196 1.00 24.10 C ATOM 903 CD ARG A 58 -3.158 21.876 -15.793 1.00 62.50 C ATOM 904 NE ARG A 58 -3.071 23.131 -16.535 1.00 71.40 N ATOM 905 CZ ARG A 58 -2.208 24.097 -16.246 1.00 52.45 C ATOM 906 NH1 ARG A 58 -1.362 23.954 -15.235 1.00 11.21 N1+ ATOM 907 NH2 ARG A 58 -2.190 25.210 -16.967 1.00 14.12 N ATOM 0 H ARG A 58 -4.973 17.388 -14.889 1.00 12.45 H new ATOM 0 HA ARG A 58 -5.473 18.822 -17.208 1.00 62.22 H new ATOM 0 HB2 ARG A 58 -5.073 19.607 -14.787 1.00 1.43 H new ATOM 0 HB3 ARG A 58 -3.359 19.502 -15.136 1.00 1.43 H new ATOM 0 HG2 ARG A 58 -4.419 20.981 -17.282 1.00 24.10 H new ATOM 0 HG3 ARG A 58 -5.282 21.571 -15.875 1.00 24.10 H new ATOM 0 HD2 ARG A 58 -3.202 22.089 -14.725 1.00 62.50 H new ATOM 0 HD3 ARG A 58 -2.255 21.290 -15.964 1.00 62.50 H new ATOM 0 HE ARG A 58 -3.709 23.273 -17.318 1.00 71.40 H new ATOM 0 HH11 ARG A 58 -1.373 23.100 -14.677 1.00 11.21 H new ATOM 0 HH12 ARG A 58 -0.700 24.698 -15.015 1.00 11.21 H new ATOM 0 HH21 ARG A 58 -2.840 25.324 -17.745 1.00 14.12 H new ATOM 0 HH22 ARG A 58 -1.526 25.952 -16.744 1.00 14.12 H new ATOM 921 N GLN A 59 -2.377 17.702 -17.013 1.00 33.30 N ATOM 922 CA GLN A 59 -1.165 17.466 -17.789 1.00 50.24 C ATOM 923 C GLN A 59 -1.453 16.576 -18.992 1.00 31.54 C ATOM 924 O GLN A 59 -0.773 16.659 -20.016 1.00 25.31 O ATOM 925 CB GLN A 59 -0.089 16.824 -16.911 1.00 14.24 C ATOM 926 CG GLN A 59 1.276 17.481 -17.043 1.00 41.21 C ATOM 927 CD GLN A 59 1.500 18.573 -16.014 1.00 31.43 C ATOM 928 OE1 GLN A 59 1.208 19.743 -16.260 1.00 34.23 O ATOM 929 NE2 GLN A 59 2.019 18.193 -14.853 1.00 53.33 N ATOM 0 H GLN A 59 -2.358 17.312 -16.071 1.00 33.30 H new ATOM 0 HA GLN A 59 -0.803 18.428 -18.151 1.00 50.24 H new ATOM 0 HB2 GLN A 59 -0.406 16.871 -15.869 1.00 14.24 H new ATOM 0 HB3 GLN A 59 -0.002 15.769 -17.171 1.00 14.24 H new ATOM 0 HG2 GLN A 59 2.052 16.723 -16.937 1.00 41.21 H new ATOM 0 HG3 GLN A 59 1.377 17.903 -18.043 1.00 41.21 H new ATOM 0 HE21 GLN A 59 2.246 17.212 -14.693 1.00 53.33 H new ATOM 0 HE22 GLN A 59 2.191 18.882 -14.121 1.00 53.33 H new ATOM 938 N ILE A 60 -2.466 15.725 -18.864 1.00 50.24 N ATOM 939 CA ILE A 60 -2.844 14.820 -19.942 1.00 63.32 C ATOM 940 C ILE A 60 -3.660 15.544 -21.007 1.00 22.12 C ATOM 941 O ILE A 60 -3.463 15.335 -22.205 1.00 61.43 O ATOM 942 CB ILE A 60 -3.659 13.624 -19.413 1.00 41.52 C ATOM 943 CG1 ILE A 60 -2.854 12.854 -18.364 1.00 1.42 C ATOM 944 CG2 ILE A 60 -4.058 12.707 -20.559 1.00 64.30 C ATOM 945 CD1 ILE A 60 -3.702 11.956 -17.490 1.00 0.53 C ATOM 0 H ILE A 60 -3.039 15.644 -18.024 1.00 50.24 H new ATOM 0 HA ILE A 60 -1.918 14.452 -20.384 1.00 63.32 H new ATOM 0 HB ILE A 60 -4.567 14.002 -18.942 1.00 41.52 H new ATOM 0 HG12 ILE A 60 -2.100 12.250 -18.868 1.00 1.42 H new ATOM 0 HG13 ILE A 60 -2.322 13.565 -17.732 1.00 1.42 H new ATOM 0 HG21 ILE A 60 -4.633 11.867 -20.169 1.00 64.30 H new ATOM 0 HG22 ILE A 60 -4.665 13.262 -21.274 1.00 64.30 H new ATOM 0 HG23 ILE A 60 -3.162 12.334 -21.056 1.00 64.30 H new ATOM 0 HD11 ILE A 60 -3.065 11.442 -16.770 1.00 0.53 H new ATOM 0 HD12 ILE A 60 -4.439 12.557 -16.958 1.00 0.53 H new ATOM 0 HD13 ILE A 60 -4.214 11.221 -18.112 1.00 0.53 H new ATOM 957 N LEU A 61 -4.575 16.399 -20.563 1.00 11.53 N ATOM 958 CA LEU A 61 -5.420 17.158 -21.479 1.00 13.03 C ATOM 959 C LEU A 61 -4.611 18.225 -22.209 1.00 3.40 C ATOM 960 O LEU A 61 -4.793 18.447 -23.405 1.00 22.23 O ATOM 961 CB LEU A 61 -6.575 17.810 -20.716 1.00 11.20 C ATOM 962 CG LEU A 61 -7.623 16.856 -20.143 1.00 42.51 C ATOM 963 CD1 LEU A 61 -8.345 17.500 -18.968 1.00 72.33 C ATOM 964 CD2 LEU A 61 -8.616 16.445 -21.219 1.00 33.45 C ATOM 0 H LEU A 61 -4.751 16.584 -19.575 1.00 11.53 H new ATOM 0 HA LEU A 61 -5.825 16.467 -22.218 1.00 13.03 H new ATOM 0 HB2 LEU A 61 -6.158 18.395 -19.896 1.00 11.20 H new ATOM 0 HB3 LEU A 61 -7.076 18.510 -21.384 1.00 11.20 H new ATOM 0 HG LEU A 61 -7.114 15.961 -19.785 1.00 42.51 H new ATOM 0 HD11 LEU A 61 -9.087 16.807 -18.573 1.00 72.33 H new ATOM 0 HD12 LEU A 61 -7.624 17.744 -18.187 1.00 72.33 H new ATOM 0 HD13 LEU A 61 -8.841 18.412 -19.301 1.00 72.33 H new ATOM 0 HD21 LEU A 61 -9.354 15.766 -20.793 1.00 33.45 H new ATOM 0 HD22 LEU A 61 -9.119 17.331 -21.607 1.00 33.45 H new ATOM 0 HD23 LEU A 61 -8.087 15.943 -22.030 1.00 33.45 H new ATOM 976 N GLY A 62 -3.715 18.883 -21.479 1.00 1.54 N ATOM 977 CA GLY A 62 -2.890 19.918 -22.076 1.00 43.45 C ATOM 978 C GLY A 62 -2.156 19.436 -23.311 1.00 62.32 C ATOM 979 O GLY A 62 -1.874 20.219 -24.217 1.00 30.43 O ATOM 0 H GLY A 62 -3.546 18.718 -20.487 1.00 1.54 H new ATOM 0 HA2 GLY A 62 -3.516 20.770 -22.339 1.00 43.45 H new ATOM 0 HA3 GLY A 62 -2.166 20.270 -21.341 1.00 43.45 H new ATOM 983 N GLN A 63 -1.845 18.144 -23.344 1.00 34.04 N ATOM 984 CA GLN A 63 -1.136 17.560 -24.478 1.00 64.14 C ATOM 985 C GLN A 63 -2.115 17.121 -25.562 1.00 35.42 C ATOM 986 O GLN A 63 -1.791 17.144 -26.751 1.00 71.02 O ATOM 987 CB GLN A 63 -0.295 16.367 -24.020 1.00 64.11 C ATOM 988 CG GLN A 63 1.117 16.745 -23.600 1.00 62.31 C ATOM 989 CD GLN A 63 2.164 15.807 -24.165 1.00 33.21 C ATOM 990 OE1 GLN A 63 1.990 14.587 -24.162 1.00 10.32 O ATOM 991 NE2 GLN A 63 3.262 16.372 -24.656 1.00 21.33 N ATOM 0 H GLN A 63 -2.072 17.483 -22.601 1.00 34.04 H new ATOM 0 HA GLN A 63 -0.477 18.321 -24.895 1.00 64.14 H new ATOM 0 HB2 GLN A 63 -0.796 15.879 -23.184 1.00 64.11 H new ATOM 0 HB3 GLN A 63 -0.242 15.638 -24.829 1.00 64.11 H new ATOM 0 HG2 GLN A 63 1.330 17.762 -23.929 1.00 62.31 H new ATOM 0 HG3 GLN A 63 1.181 16.742 -22.512 1.00 62.31 H new ATOM 0 HE21 GLN A 63 3.365 17.387 -24.638 1.00 21.33 H new ATOM 0 HE22 GLN A 63 4.002 15.791 -25.050 1.00 21.33 H new ATOM 1000 N LEU A 64 -3.311 16.720 -25.147 1.00 71.00 N ATOM 1001 CA LEU A 64 -4.336 16.275 -26.084 1.00 24.30 C ATOM 1002 C LEU A 64 -4.969 17.462 -26.803 1.00 25.12 C ATOM 1003 O LEU A 64 -5.446 17.333 -27.930 1.00 2.34 O ATOM 1004 CB LEU A 64 -5.415 15.477 -25.349 1.00 63.05 C ATOM 1005 CG LEU A 64 -5.008 14.082 -24.870 1.00 12.32 C ATOM 1006 CD1 LEU A 64 -6.134 13.442 -24.074 1.00 61.03 C ATOM 1007 CD2 LEU A 64 -4.622 13.204 -26.051 1.00 13.03 C ATOM 0 H LEU A 64 -3.595 16.694 -24.168 1.00 71.00 H new ATOM 0 HA LEU A 64 -3.860 15.635 -26.827 1.00 24.30 H new ATOM 0 HB2 LEU A 64 -5.741 16.055 -24.485 1.00 63.05 H new ATOM 0 HB3 LEU A 64 -6.277 15.376 -26.009 1.00 63.05 H new ATOM 0 HG LEU A 64 -4.140 14.182 -24.218 1.00 12.32 H new ATOM 0 HD11 LEU A 64 -5.827 12.450 -23.742 1.00 61.03 H new ATOM 0 HD12 LEU A 64 -6.364 14.061 -23.206 1.00 61.03 H new ATOM 0 HD13 LEU A 64 -7.020 13.355 -24.703 1.00 61.03 H new ATOM 0 HD21 LEU A 64 -4.335 12.216 -25.691 1.00 13.03 H new ATOM 0 HD22 LEU A 64 -5.471 13.112 -26.728 1.00 13.03 H new ATOM 0 HD23 LEU A 64 -3.783 13.655 -26.581 1.00 13.03 H new ATOM 1019 N GLN A 65 -4.968 18.616 -26.145 1.00 55.31 N ATOM 1020 CA GLN A 65 -5.539 19.826 -26.723 1.00 45.12 C ATOM 1021 C GLN A 65 -4.961 20.094 -28.108 1.00 55.21 C ATOM 1022 O GLN A 65 -5.672 20.114 -29.112 1.00 31.35 O ATOM 1023 CB GLN A 65 -5.281 21.025 -25.809 1.00 64.03 C ATOM 1024 CG GLN A 65 -6.546 21.609 -25.199 1.00 33.24 C ATOM 1025 CD GLN A 65 -7.428 22.290 -26.228 1.00 32.32 C ATOM 1026 OE1 GLN A 65 -6.964 22.685 -27.298 1.00 75.33 O ATOM 1027 NE2 GLN A 65 -8.709 22.430 -25.909 1.00 43.51 N ATOM 0 H GLN A 65 -4.578 18.739 -25.211 1.00 55.31 H new ATOM 0 HA GLN A 65 -6.614 19.678 -26.821 1.00 45.12 H new ATOM 0 HB2 GLN A 65 -4.608 20.722 -25.007 1.00 64.03 H new ATOM 0 HB3 GLN A 65 -4.770 21.802 -26.378 1.00 64.03 H new ATOM 0 HG2 GLN A 65 -7.110 20.814 -24.711 1.00 33.24 H new ATOM 0 HG3 GLN A 65 -6.274 22.328 -24.426 1.00 33.24 H new ATOM 0 HE21 GLN A 65 -9.051 22.088 -25.011 1.00 43.51 H new ATOM 0 HE22 GLN A 65 -9.351 22.880 -26.562 1.00 43.51 H new ATOM 1036 N PRO A 66 -3.637 20.306 -28.166 1.00 42.21 N ATOM 1037 CA PRO A 66 -2.933 20.577 -29.423 1.00 74.43 C ATOM 1038 C PRO A 66 -2.875 19.352 -30.330 1.00 3.02 C ATOM 1039 O PRO A 66 -2.652 19.471 -31.535 1.00 72.12 O ATOM 1040 CB PRO A 66 -1.526 20.968 -28.964 1.00 50.00 C ATOM 1041 CG PRO A 66 -1.361 20.306 -27.639 1.00 23.35 C ATOM 1042 CD PRO A 66 -2.727 20.297 -27.009 1.00 13.33 C ATOM 0 HA PRO A 66 -3.433 21.345 -30.013 1.00 74.43 H new ATOM 0 HB2 PRO A 66 -0.770 20.629 -29.673 1.00 50.00 H new ATOM 0 HB3 PRO A 66 -1.423 22.050 -28.881 1.00 50.00 H new ATOM 0 HG2 PRO A 66 -0.977 19.292 -27.754 1.00 23.35 H new ATOM 0 HG3 PRO A 66 -0.648 20.848 -27.018 1.00 23.35 H new ATOM 0 HD2 PRO A 66 -2.877 19.414 -26.387 1.00 13.33 H new ATOM 0 HD3 PRO A 66 -2.881 21.167 -26.370 1.00 13.33 H new ATOM 1050 N SER A 67 -3.078 18.177 -29.744 1.00 22.12 N ATOM 1051 CA SER A 67 -3.047 16.930 -30.500 1.00 15.12 C ATOM 1052 C SER A 67 -4.367 16.704 -31.230 1.00 35.43 C ATOM 1053 O SER A 67 -4.409 16.045 -32.271 1.00 31.32 O ATOM 1054 CB SER A 67 -2.758 15.752 -29.568 1.00 62.13 C ATOM 1055 OG SER A 67 -1.469 15.862 -28.990 1.00 13.14 O ATOM 0 H SER A 67 -3.266 18.062 -28.748 1.00 22.12 H new ATOM 0 HA SER A 67 -2.251 17.002 -31.241 1.00 15.12 H new ATOM 0 HB2 SER A 67 -3.511 15.714 -28.781 1.00 62.13 H new ATOM 0 HB3 SER A 67 -2.832 14.818 -30.124 1.00 62.13 H new ATOM 0 HG SER A 67 -1.544 16.256 -28.096 1.00 13.14 H new ATOM 1061 N LEU A 68 -5.443 17.254 -30.680 1.00 52.25 N ATOM 1062 CA LEU A 68 -6.766 17.114 -31.277 1.00 74.01 C ATOM 1063 C LEU A 68 -6.752 17.551 -32.739 1.00 54.33 C ATOM 1064 O LEU A 68 -7.536 17.061 -33.550 1.00 65.51 O ATOM 1065 CB LEU A 68 -7.790 17.938 -30.496 1.00 65.20 C ATOM 1066 CG LEU A 68 -8.274 17.332 -29.178 1.00 12.41 C ATOM 1067 CD1 LEU A 68 -8.572 18.428 -28.166 1.00 61.01 C ATOM 1068 CD2 LEU A 68 -9.504 16.467 -29.409 1.00 44.25 C ATOM 0 H LEU A 68 -5.425 17.802 -29.820 1.00 52.25 H new ATOM 0 HA LEU A 68 -7.048 16.062 -31.234 1.00 74.01 H new ATOM 0 HB2 LEU A 68 -7.356 18.915 -30.286 1.00 65.20 H new ATOM 0 HB3 LEU A 68 -8.656 18.105 -31.136 1.00 65.20 H new ATOM 0 HG LEU A 68 -7.481 16.700 -28.777 1.00 12.41 H new ATOM 0 HD11 LEU A 68 -8.915 17.979 -27.234 1.00 61.01 H new ATOM 0 HD12 LEU A 68 -7.667 19.006 -27.979 1.00 61.01 H new ATOM 0 HD13 LEU A 68 -9.347 19.085 -28.559 1.00 61.01 H new ATOM 0 HD21 LEU A 68 -9.835 16.044 -28.460 1.00 44.25 H new ATOM 0 HD22 LEU A 68 -10.303 17.076 -29.833 1.00 44.25 H new ATOM 0 HD23 LEU A 68 -9.257 15.661 -30.100 1.00 44.25 H new ATOM 1080 N GLN A 69 -5.854 18.474 -33.067 1.00 53.21 N ATOM 1081 CA GLN A 69 -5.737 18.976 -34.431 1.00 71.52 C ATOM 1082 C GLN A 69 -5.525 17.830 -35.416 1.00 61.22 C ATOM 1083 O GLN A 69 -6.211 17.739 -36.434 1.00 74.20 O ATOM 1084 CB GLN A 69 -4.581 19.971 -34.533 1.00 2.41 C ATOM 1085 CG GLN A 69 -4.390 20.540 -35.930 1.00 50.34 C ATOM 1086 CD GLN A 69 -3.596 21.832 -35.931 1.00 73.31 C ATOM 1087 OE1 GLN A 69 -4.160 22.920 -36.051 1.00 34.20 O ATOM 1088 NE2 GLN A 69 -2.280 21.718 -35.795 1.00 15.52 N ATOM 0 H GLN A 69 -5.197 18.889 -32.407 1.00 53.21 H new ATOM 0 HA GLN A 69 -6.667 19.483 -34.686 1.00 71.52 H new ATOM 0 HB2 GLN A 69 -4.756 20.791 -33.836 1.00 2.41 H new ATOM 0 HB3 GLN A 69 -3.660 19.479 -34.221 1.00 2.41 H new ATOM 0 HG2 GLN A 69 -3.880 19.804 -36.551 1.00 50.34 H new ATOM 0 HG3 GLN A 69 -5.366 20.717 -36.382 1.00 50.34 H new ATOM 0 HE21 GLN A 69 -1.855 20.796 -35.698 1.00 15.52 H new ATOM 0 HE22 GLN A 69 -1.694 22.553 -35.787 1.00 15.52 H new ATOM 1097 N THR A 70 -4.572 16.958 -35.106 1.00 55.24 N ATOM 1098 CA THR A 70 -4.269 15.819 -35.964 1.00 51.53 C ATOM 1099 C THR A 70 -4.245 14.520 -35.166 1.00 54.52 C ATOM 1100 O THR A 70 -3.360 13.685 -35.347 1.00 43.42 O ATOM 1101 CB THR A 70 -2.914 15.997 -36.675 1.00 40.24 C ATOM 1102 OG1 THR A 70 -1.869 16.149 -35.707 1.00 55.05 O ATOM 1103 CG2 THR A 70 -2.940 17.208 -37.594 1.00 54.35 C ATOM 0 H THR A 70 -3.996 17.018 -34.266 1.00 55.24 H new ATOM 0 HA THR A 70 -5.060 15.767 -36.712 1.00 51.53 H new ATOM 0 HB THR A 70 -2.725 15.108 -37.277 1.00 40.24 H new ATOM 0 HG1 THR A 70 -1.011 16.260 -36.167 1.00 55.05 H new ATOM 0 HG21 THR A 70 -1.972 17.313 -38.085 1.00 54.35 H new ATOM 0 HG22 THR A 70 -3.717 17.076 -38.347 1.00 54.35 H new ATOM 0 HG23 THR A 70 -3.150 18.104 -37.010 1.00 54.35 H new ATOM 1111 N GLY A 71 -5.225 14.356 -34.282 1.00 41.44 N ATOM 1112 CA GLY A 71 -5.297 13.156 -33.470 1.00 25.23 C ATOM 1113 C GLY A 71 -6.204 12.101 -34.074 1.00 12.41 C ATOM 1114 O GLY A 71 -7.136 12.422 -34.812 1.00 15.14 O ATOM 0 H GLY A 71 -5.970 15.033 -34.114 1.00 41.44 H new ATOM 0 HA2 GLY A 71 -4.296 12.743 -33.348 1.00 25.23 H new ATOM 0 HA3 GLY A 71 -5.659 13.415 -32.475 1.00 25.23 H new ATOM 1118 N SER A 72 -5.931 10.838 -33.762 1.00 53.42 N ATOM 1119 CA SER A 72 -6.725 9.733 -34.284 1.00 74.24 C ATOM 1120 C SER A 72 -7.831 9.350 -33.306 1.00 2.23 C ATOM 1121 O SER A 72 -8.024 10.006 -32.283 1.00 13.10 O ATOM 1122 CB SER A 72 -5.832 8.521 -34.560 1.00 1.54 C ATOM 1123 OG SER A 72 -5.510 7.840 -33.360 1.00 12.23 O ATOM 0 H SER A 72 -5.166 10.555 -33.150 1.00 53.42 H new ATOM 0 HA SER A 72 -7.185 10.058 -35.218 1.00 74.24 H new ATOM 0 HB2 SER A 72 -6.339 7.840 -35.243 1.00 1.54 H new ATOM 0 HB3 SER A 72 -4.916 8.845 -35.055 1.00 1.54 H new ATOM 0 HG SER A 72 -4.940 7.069 -33.564 1.00 12.23 H new ATOM 1129 N GLU A 73 -8.556 8.284 -33.630 1.00 70.44 N ATOM 1130 CA GLU A 73 -9.645 7.814 -32.781 1.00 71.02 C ATOM 1131 C GLU A 73 -9.164 7.600 -31.348 1.00 52.22 C ATOM 1132 O GLU A 73 -9.858 7.943 -30.392 1.00 31.32 O ATOM 1133 CB GLU A 73 -10.228 6.512 -33.334 1.00 55.34 C ATOM 1134 CG GLU A 73 -11.737 6.546 -33.506 1.00 61.21 C ATOM 1135 CD GLU A 73 -12.466 5.805 -32.402 1.00 1.21 C ATOM 1136 OE1 GLU A 73 -12.287 4.573 -32.296 1.00 21.13 O ATOM 1137 OE2 GLU A 73 -13.216 6.456 -31.645 1.00 2.30 O1- ATOM 0 H GLU A 73 -8.409 7.730 -34.474 1.00 70.44 H new ATOM 0 HA GLU A 73 -10.422 8.578 -32.775 1.00 71.02 H new ATOM 0 HB2 GLU A 73 -9.766 6.297 -34.297 1.00 55.34 H new ATOM 0 HB3 GLU A 73 -9.965 5.693 -32.665 1.00 55.34 H new ATOM 0 HG2 GLU A 73 -12.073 7.583 -33.527 1.00 61.21 H new ATOM 0 HG3 GLU A 73 -11.999 6.107 -34.468 1.00 61.21 H new ATOM 1144 N GLU A 74 -7.970 7.031 -31.209 1.00 13.31 N ATOM 1145 CA GLU A 74 -7.397 6.770 -29.894 1.00 31.12 C ATOM 1146 C GLU A 74 -7.183 8.071 -29.126 1.00 40.22 C ATOM 1147 O GLU A 74 -7.303 8.109 -27.901 1.00 70.40 O ATOM 1148 CB GLU A 74 -6.069 6.022 -30.031 1.00 32.32 C ATOM 1149 CG GLU A 74 -6.222 4.599 -30.542 1.00 44.00 C ATOM 1150 CD GLU A 74 -5.033 3.724 -30.195 1.00 34.32 C ATOM 1151 OE1 GLU A 74 -3.956 3.923 -30.796 1.00 30.12 O ATOM 1152 OE2 GLU A 74 -5.178 2.841 -29.324 1.00 23.25 O1- ATOM 0 H GLU A 74 -7.382 6.742 -31.991 1.00 13.31 H new ATOM 0 HA GLU A 74 -8.099 6.150 -29.337 1.00 31.12 H new ATOM 0 HB2 GLU A 74 -5.419 6.575 -30.709 1.00 32.32 H new ATOM 0 HB3 GLU A 74 -5.573 5.999 -29.061 1.00 32.32 H new ATOM 0 HG2 GLU A 74 -7.126 4.161 -30.120 1.00 44.00 H new ATOM 0 HG3 GLU A 74 -6.351 4.617 -31.624 1.00 44.00 H new ATOM 1159 N LEU A 75 -6.866 9.136 -29.855 1.00 62.23 N ATOM 1160 CA LEU A 75 -6.634 10.440 -29.243 1.00 62.33 C ATOM 1161 C LEU A 75 -7.955 11.128 -28.910 1.00 73.41 C ATOM 1162 O LEU A 75 -8.024 11.953 -28.000 1.00 43.50 O ATOM 1163 CB LEU A 75 -5.808 11.324 -30.178 1.00 42.12 C ATOM 1164 CG LEU A 75 -4.863 12.317 -29.501 1.00 72.21 C ATOM 1165 CD1 LEU A 75 -3.425 12.060 -29.925 1.00 22.31 C ATOM 1166 CD2 LEU A 75 -5.269 13.747 -29.827 1.00 63.13 C ATOM 0 H LEU A 75 -6.764 9.122 -30.870 1.00 62.23 H new ATOM 0 HA LEU A 75 -6.082 10.286 -28.316 1.00 62.33 H new ATOM 0 HB2 LEU A 75 -5.219 10.679 -30.829 1.00 42.12 H new ATOM 0 HB3 LEU A 75 -6.493 11.882 -30.817 1.00 42.12 H new ATOM 0 HG LEU A 75 -4.933 12.177 -28.422 1.00 72.21 H new ATOM 0 HD11 LEU A 75 -2.767 12.776 -29.433 1.00 22.31 H new ATOM 0 HD12 LEU A 75 -3.137 11.048 -29.640 1.00 22.31 H new ATOM 0 HD13 LEU A 75 -3.339 12.171 -31.006 1.00 22.31 H new ATOM 0 HD21 LEU A 75 -4.585 14.440 -29.337 1.00 63.13 H new ATOM 0 HD22 LEU A 75 -5.229 13.900 -30.906 1.00 63.13 H new ATOM 0 HD23 LEU A 75 -6.284 13.927 -29.473 1.00 63.13 H new ATOM 1178 N ARG A 76 -9.001 10.779 -29.652 1.00 32.22 N ATOM 1179 CA ARG A 76 -10.320 11.362 -29.435 1.00 30.44 C ATOM 1180 C ARG A 76 -10.996 10.738 -28.218 1.00 54.13 C ATOM 1181 O ARG A 76 -11.579 11.440 -27.392 1.00 25.33 O ATOM 1182 CB ARG A 76 -11.196 11.168 -30.674 1.00 62.14 C ATOM 1183 CG ARG A 76 -12.020 12.394 -31.035 1.00 31.52 C ATOM 1184 CD ARG A 76 -13.409 12.333 -30.419 1.00 34.03 C ATOM 1185 NE ARG A 76 -14.434 12.832 -31.332 1.00 61.21 N ATOM 1186 CZ ARG A 76 -15.729 12.572 -31.194 1.00 3.45 C ATOM 1187 NH1 ARG A 76 -16.156 11.823 -30.186 1.00 10.41 N1+ ATOM 1188 NH2 ARG A 76 -16.602 13.064 -32.066 1.00 65.14 N ATOM 0 H ARG A 76 -8.961 10.096 -30.408 1.00 32.22 H new ATOM 0 HA ARG A 76 -10.193 12.429 -29.251 1.00 30.44 H new ATOM 0 HB2 ARG A 76 -10.561 10.905 -31.520 1.00 62.14 H new ATOM 0 HB3 ARG A 76 -11.867 10.326 -30.506 1.00 62.14 H new ATOM 0 HG2 ARG A 76 -11.507 13.292 -30.691 1.00 31.52 H new ATOM 0 HG3 ARG A 76 -12.105 12.471 -32.119 1.00 31.52 H new ATOM 0 HD2 ARG A 76 -13.639 11.304 -30.144 1.00 34.03 H new ATOM 0 HD3 ARG A 76 -13.425 12.920 -29.501 1.00 34.03 H new ATOM 0 HE ARG A 76 -14.139 13.411 -32.118 1.00 61.21 H new ATOM 0 HH11 ARG A 76 -15.489 11.445 -29.514 1.00 10.41 H new ATOM 0 HH12 ARG A 76 -17.151 11.626 -30.083 1.00 10.41 H new ATOM 0 HH21 ARG A 76 -16.278 13.642 -32.842 1.00 65.14 H new ATOM 0 HH22 ARG A 76 -17.597 12.864 -31.960 1.00 65.14 H new ATOM 1202 N SER A 77 -10.913 9.416 -28.114 1.00 31.21 N ATOM 1203 CA SER A 77 -11.521 8.697 -27.000 1.00 13.12 C ATOM 1204 C SER A 77 -10.945 9.172 -25.669 1.00 33.21 C ATOM 1205 O SER A 77 -11.667 9.310 -24.681 1.00 21.22 O ATOM 1206 CB SER A 77 -11.300 7.191 -27.156 1.00 71.32 C ATOM 1207 OG SER A 77 -12.275 6.619 -28.011 1.00 74.23 O ATOM 0 H SER A 77 -10.431 8.821 -28.787 1.00 31.21 H new ATOM 0 HA SER A 77 -12.591 8.902 -27.007 1.00 13.12 H new ATOM 0 HB2 SER A 77 -10.304 7.006 -27.559 1.00 71.32 H new ATOM 0 HB3 SER A 77 -11.342 6.711 -26.178 1.00 71.32 H new ATOM 0 HG SER A 77 -12.111 5.657 -28.096 1.00 74.23 H new ATOM 1213 N LEU A 78 -9.640 9.419 -25.651 1.00 4.13 N ATOM 1214 CA LEU A 78 -8.965 9.878 -24.442 1.00 44.11 C ATOM 1215 C LEU A 78 -9.516 11.227 -23.990 1.00 41.15 C ATOM 1216 O LEU A 78 -9.997 11.367 -22.865 1.00 22.24 O ATOM 1217 CB LEU A 78 -7.459 9.985 -24.684 1.00 23.02 C ATOM 1218 CG LEU A 78 -6.604 8.859 -24.100 1.00 3.34 C ATOM 1219 CD1 LEU A 78 -6.799 8.768 -22.595 1.00 54.41 C ATOM 1220 CD2 LEU A 78 -6.941 7.534 -24.765 1.00 21.35 C ATOM 0 H LEU A 78 -9.028 9.309 -26.460 1.00 4.13 H new ATOM 0 HA LEU A 78 -9.149 9.148 -23.654 1.00 44.11 H new ATOM 0 HB2 LEU A 78 -7.286 10.025 -25.759 1.00 23.02 H new ATOM 0 HB3 LEU A 78 -7.111 10.931 -24.269 1.00 23.02 H new ATOM 0 HG LEU A 78 -5.556 9.084 -24.297 1.00 3.34 H new ATOM 0 HD11 LEU A 78 -6.183 7.962 -22.196 1.00 54.41 H new ATOM 0 HD12 LEU A 78 -6.506 9.711 -22.133 1.00 54.41 H new ATOM 0 HD13 LEU A 78 -7.847 8.566 -22.375 1.00 54.41 H new ATOM 0 HD21 LEU A 78 -6.323 6.745 -24.337 1.00 21.35 H new ATOM 0 HD22 LEU A 78 -7.993 7.301 -24.600 1.00 21.35 H new ATOM 0 HD23 LEU A 78 -6.749 7.605 -25.836 1.00 21.35 H new ATOM 1232 N TYR A 79 -9.443 12.216 -24.874 1.00 23.42 N ATOM 1233 CA TYR A 79 -9.935 13.554 -24.566 1.00 74.34 C ATOM 1234 C TYR A 79 -11.373 13.503 -24.061 1.00 5.41 C ATOM 1235 O TYR A 79 -11.796 14.347 -23.271 1.00 75.14 O ATOM 1236 CB TYR A 79 -9.847 14.449 -25.803 1.00 65.33 C ATOM 1237 CG TYR A 79 -9.824 15.926 -25.481 1.00 10.11 C ATOM 1238 CD1 TYR A 79 -8.722 16.505 -24.863 1.00 3.13 C ATOM 1239 CD2 TYR A 79 -10.904 16.742 -25.793 1.00 4.33 C ATOM 1240 CE1 TYR A 79 -8.697 17.855 -24.566 1.00 25.23 C ATOM 1241 CE2 TYR A 79 -10.888 18.092 -25.501 1.00 14.44 C ATOM 1242 CZ TYR A 79 -9.781 18.644 -24.888 1.00 22.14 C ATOM 1243 OH TYR A 79 -9.762 19.988 -24.594 1.00 34.03 O ATOM 0 H TYR A 79 -9.048 12.117 -25.809 1.00 23.42 H new ATOM 0 HA TYR A 79 -9.308 13.972 -23.778 1.00 74.34 H new ATOM 0 HB2 TYR A 79 -8.947 14.194 -26.363 1.00 65.33 H new ATOM 0 HB3 TYR A 79 -10.697 14.241 -26.453 1.00 65.33 H new ATOM 0 HD1 TYR A 79 -7.871 15.890 -24.611 1.00 3.13 H new ATOM 0 HD2 TYR A 79 -11.772 16.313 -26.272 1.00 4.33 H new ATOM 0 HE1 TYR A 79 -7.833 18.289 -24.084 1.00 25.23 H new ATOM 0 HE2 TYR A 79 -11.736 18.712 -25.751 1.00 14.44 H new ATOM 0 HH TYR A 79 -10.602 20.399 -24.887 1.00 34.03 H new ATOM 1253 N ASN A 80 -12.121 12.507 -24.524 1.00 31.22 N ATOM 1254 CA ASN A 80 -13.514 12.345 -24.120 1.00 14.53 C ATOM 1255 C ASN A 80 -13.608 11.851 -22.681 1.00 71.42 C ATOM 1256 O ASN A 80 -14.211 12.502 -21.827 1.00 61.43 O ATOM 1257 CB ASN A 80 -14.227 11.366 -25.056 1.00 54.51 C ATOM 1258 CG ASN A 80 -14.882 12.064 -26.232 1.00 33.35 C ATOM 1259 OD1 ASN A 80 -14.209 12.474 -27.179 1.00 51.14 O ATOM 1260 ND2 ASN A 80 -16.201 12.202 -26.177 1.00 20.15 N ATOM 0 H ASN A 80 -11.787 11.800 -25.179 1.00 31.22 H new ATOM 0 HA ASN A 80 -14.001 13.318 -24.184 1.00 14.53 H new ATOM 0 HB2 ASN A 80 -13.510 10.633 -25.425 1.00 54.51 H new ATOM 0 HB3 ASN A 80 -14.984 10.817 -24.495 1.00 54.51 H new ATOM 0 HD21 ASN A 80 -16.698 12.663 -26.939 1.00 20.15 H new ATOM 0 HD22 ASN A 80 -16.718 11.847 -25.373 1.00 20.15 H new ATOM 1267 N THR A 81 -13.008 10.694 -22.417 1.00 53.22 N ATOM 1268 CA THR A 81 -13.024 10.111 -21.081 1.00 20.54 C ATOM 1269 C THR A 81 -12.371 11.042 -20.067 1.00 43.01 C ATOM 1270 O THR A 81 -12.963 11.366 -19.036 1.00 1.45 O ATOM 1271 CB THR A 81 -12.301 8.751 -21.053 1.00 61.41 C ATOM 1272 OG1 THR A 81 -12.873 7.872 -22.028 1.00 13.24 O ATOM 1273 CG2 THR A 81 -12.397 8.116 -19.673 1.00 20.34 C ATOM 0 H THR A 81 -12.505 10.142 -23.112 1.00 53.22 H new ATOM 0 HA THR A 81 -14.070 9.963 -20.813 1.00 20.54 H new ATOM 0 HB THR A 81 -11.250 8.918 -21.287 1.00 61.41 H new ATOM 0 HG1 THR A 81 -12.622 8.172 -22.926 1.00 13.24 H new ATOM 0 HG21 THR A 81 -11.879 7.157 -19.677 1.00 20.34 H new ATOM 0 HG22 THR A 81 -11.936 8.774 -18.937 1.00 20.34 H new ATOM 0 HG23 THR A 81 -13.445 7.962 -19.416 1.00 20.34 H new ATOM 1281 N ILE A 82 -11.149 11.470 -20.365 1.00 62.20 N ATOM 1282 CA ILE A 82 -10.417 12.367 -19.479 1.00 71.04 C ATOM 1283 C ILE A 82 -11.235 13.613 -19.159 1.00 72.43 C ATOM 1284 O ILE A 82 -11.208 14.114 -18.036 1.00 53.24 O ATOM 1285 CB ILE A 82 -9.071 12.793 -20.096 1.00 63.22 C ATOM 1286 CG1 ILE A 82 -8.216 11.564 -20.407 1.00 20.11 C ATOM 1287 CG2 ILE A 82 -8.334 13.736 -19.157 1.00 73.15 C ATOM 1288 CD1 ILE A 82 -7.081 11.845 -21.367 1.00 1.45 C ATOM 0 H ILE A 82 -10.645 11.210 -21.213 1.00 62.20 H new ATOM 0 HA ILE A 82 -10.227 11.815 -18.558 1.00 71.04 H new ATOM 0 HB ILE A 82 -9.266 13.321 -21.030 1.00 63.22 H new ATOM 0 HG12 ILE A 82 -7.805 11.172 -19.476 1.00 20.11 H new ATOM 0 HG13 ILE A 82 -8.853 10.785 -20.827 1.00 20.11 H new ATOM 0 HG21 ILE A 82 -7.385 14.028 -19.606 1.00 73.15 H new ATOM 0 HG22 ILE A 82 -8.942 14.624 -18.982 1.00 73.15 H new ATOM 0 HG23 ILE A 82 -8.147 13.232 -18.209 1.00 73.15 H new ATOM 0 HD11 ILE A 82 -6.517 10.929 -21.542 1.00 1.45 H new ATOM 0 HD12 ILE A 82 -7.485 12.208 -22.312 1.00 1.45 H new ATOM 0 HD13 ILE A 82 -6.422 12.601 -20.940 1.00 1.45 H new ATOM 1300 N ALA A 83 -11.963 14.108 -20.155 1.00 61.14 N ATOM 1301 CA ALA A 83 -12.793 15.293 -19.978 1.00 11.25 C ATOM 1302 C ALA A 83 -13.837 15.075 -18.889 1.00 43.44 C ATOM 1303 O ALA A 83 -14.065 15.947 -18.050 1.00 52.21 O ATOM 1304 CB ALA A 83 -13.466 15.666 -21.291 1.00 43.25 C ATOM 0 H ALA A 83 -11.995 13.707 -21.092 1.00 61.14 H new ATOM 0 HA ALA A 83 -12.148 16.115 -19.666 1.00 11.25 H new ATOM 0 HB1 ALA A 83 -14.083 16.553 -21.145 1.00 43.25 H new ATOM 0 HB2 ALA A 83 -12.705 15.873 -22.044 1.00 43.25 H new ATOM 0 HB3 ALA A 83 -14.092 14.839 -21.626 1.00 43.25 H new ATOM 1310 N VAL A 84 -14.471 13.907 -18.908 1.00 2.13 N ATOM 1311 CA VAL A 84 -15.492 13.575 -17.921 1.00 70.33 C ATOM 1312 C VAL A 84 -14.869 13.305 -16.556 1.00 33.31 C ATOM 1313 O VAL A 84 -15.430 13.670 -15.522 1.00 23.12 O ATOM 1314 CB VAL A 84 -16.310 12.343 -18.352 1.00 34.23 C ATOM 1315 CG1 VAL A 84 -17.386 12.030 -17.325 1.00 55.03 C ATOM 1316 CG2 VAL A 84 -16.922 12.566 -19.727 1.00 20.42 C ATOM 0 H VAL A 84 -14.296 13.175 -19.596 1.00 2.13 H new ATOM 0 HA VAL A 84 -16.156 14.436 -17.851 1.00 70.33 H new ATOM 0 HB VAL A 84 -15.640 11.486 -18.412 1.00 34.23 H new ATOM 0 HG11 VAL A 84 -17.953 11.157 -17.647 1.00 55.03 H new ATOM 0 HG12 VAL A 84 -16.920 11.825 -16.361 1.00 55.03 H new ATOM 0 HG13 VAL A 84 -18.057 12.884 -17.229 1.00 55.03 H new ATOM 0 HG21 VAL A 84 -17.497 11.686 -20.017 1.00 20.42 H new ATOM 0 HG22 VAL A 84 -17.580 13.435 -19.696 1.00 20.42 H new ATOM 0 HG23 VAL A 84 -16.129 12.737 -20.455 1.00 20.42 H new ATOM 1326 N LEU A 85 -13.705 12.664 -16.559 1.00 63.50 N ATOM 1327 CA LEU A 85 -13.004 12.345 -15.320 1.00 62.42 C ATOM 1328 C LEU A 85 -12.521 13.613 -14.626 1.00 13.41 C ATOM 1329 O LEU A 85 -12.855 13.867 -13.468 1.00 71.52 O ATOM 1330 CB LEU A 85 -11.819 11.421 -15.605 1.00 13.32 C ATOM 1331 CG LEU A 85 -11.570 10.312 -14.582 1.00 12.14 C ATOM 1332 CD1 LEU A 85 -11.792 8.946 -15.212 1.00 54.02 C ATOM 1333 CD2 LEU A 85 -10.163 10.417 -14.013 1.00 30.11 C ATOM 0 H LEU A 85 -13.227 12.355 -17.405 1.00 63.50 H new ATOM 0 HA LEU A 85 -13.703 11.835 -14.657 1.00 62.42 H new ATOM 0 HB2 LEU A 85 -11.970 10.960 -16.581 1.00 13.32 H new ATOM 0 HB3 LEU A 85 -10.918 12.030 -15.677 1.00 13.32 H new ATOM 0 HG LEU A 85 -12.280 10.432 -13.764 1.00 12.14 H new ATOM 0 HD11 LEU A 85 -11.610 8.169 -14.469 1.00 54.02 H new ATOM 0 HD12 LEU A 85 -12.819 8.873 -15.570 1.00 54.02 H new ATOM 0 HD13 LEU A 85 -11.106 8.816 -16.049 1.00 54.02 H new ATOM 0 HD21 LEU A 85 -10.004 9.620 -13.287 1.00 30.11 H new ATOM 0 HD22 LEU A 85 -9.436 10.323 -14.820 1.00 30.11 H new ATOM 0 HD23 LEU A 85 -10.039 11.383 -13.524 1.00 30.11 H new ATOM 1345 N TYR A 86 -11.733 14.409 -15.342 1.00 3.21 N ATOM 1346 CA TYR A 86 -11.203 15.652 -14.794 1.00 11.21 C ATOM 1347 C TYR A 86 -12.322 16.512 -14.213 1.00 50.50 C ATOM 1348 O TYR A 86 -12.206 17.032 -13.102 1.00 24.54 O ATOM 1349 CB TYR A 86 -10.455 16.432 -15.877 1.00 40.44 C ATOM 1350 CG TYR A 86 -10.046 17.823 -15.447 1.00 0.52 C ATOM 1351 CD1 TYR A 86 -8.850 18.040 -14.774 1.00 30.51 C ATOM 1352 CD2 TYR A 86 -10.854 18.921 -15.716 1.00 63.43 C ATOM 1353 CE1 TYR A 86 -8.472 19.309 -14.379 1.00 62.41 C ATOM 1354 CE2 TYR A 86 -10.483 20.193 -15.326 1.00 24.12 C ATOM 1355 CZ TYR A 86 -9.293 20.382 -14.658 1.00 73.35 C ATOM 1356 OH TYR A 86 -8.919 21.648 -14.268 1.00 74.34 O ATOM 0 H TYR A 86 -11.448 14.215 -16.302 1.00 3.21 H new ATOM 0 HA TYR A 86 -10.509 15.400 -13.992 1.00 11.21 H new ATOM 0 HB2 TYR A 86 -9.565 15.873 -16.166 1.00 40.44 H new ATOM 0 HB3 TYR A 86 -11.087 16.505 -16.762 1.00 40.44 H new ATOM 0 HD1 TYR A 86 -8.204 17.202 -14.556 1.00 30.51 H new ATOM 0 HD2 TYR A 86 -11.788 18.777 -16.239 1.00 63.43 H new ATOM 0 HE1 TYR A 86 -7.540 19.460 -13.855 1.00 62.41 H new ATOM 0 HE2 TYR A 86 -11.123 21.035 -15.544 1.00 24.12 H new ATOM 0 HH TYR A 86 -9.468 22.310 -14.737 1.00 74.34 H new ATOM 1366 N CYS A 87 -13.402 16.658 -14.972 1.00 40.12 N ATOM 1367 CA CYS A 87 -14.543 17.455 -14.533 1.00 74.20 C ATOM 1368 C CYS A 87 -15.008 17.022 -13.147 1.00 34.12 C ATOM 1369 O CYS A 87 -15.310 17.856 -12.293 1.00 74.52 O ATOM 1370 CB CYS A 87 -15.693 17.330 -15.533 1.00 22.21 C ATOM 1371 SG CYS A 87 -15.588 18.476 -16.927 1.00 11.44 S ATOM 0 H CYS A 87 -13.512 16.236 -15.894 1.00 40.12 H new ATOM 0 HA CYS A 87 -14.228 18.497 -14.481 1.00 74.20 H new ATOM 0 HB2 CYS A 87 -15.717 16.310 -15.916 1.00 22.21 H new ATOM 0 HB3 CYS A 87 -16.635 17.497 -15.010 1.00 22.21 H new ATOM 0 HG CYS A 87 -14.906 17.928 -17.888 1.00 11.44 H new ATOM 1377 N VAL A 88 -15.065 15.712 -12.930 1.00 70.10 N ATOM 1378 CA VAL A 88 -15.494 15.167 -11.647 1.00 13.11 C ATOM 1379 C VAL A 88 -14.616 15.680 -10.511 1.00 71.02 C ATOM 1380 O VAL A 88 -15.117 16.117 -9.475 1.00 71.45 O ATOM 1381 CB VAL A 88 -15.461 13.627 -11.652 1.00 14.30 C ATOM 1382 CG1 VAL A 88 -15.900 13.080 -10.303 1.00 31.53 C ATOM 1383 CG2 VAL A 88 -16.336 13.080 -12.769 1.00 33.42 C ATOM 0 H VAL A 88 -14.819 15.008 -13.626 1.00 70.10 H new ATOM 0 HA VAL A 88 -16.520 15.500 -11.488 1.00 13.11 H new ATOM 0 HB VAL A 88 -14.436 13.303 -11.832 1.00 14.30 H new ATOM 0 HG11 VAL A 88 -15.871 11.991 -10.325 1.00 31.53 H new ATOM 0 HG12 VAL A 88 -15.228 13.446 -9.526 1.00 31.53 H new ATOM 0 HG13 VAL A 88 -16.916 13.411 -10.089 1.00 31.53 H new ATOM 0 HG21 VAL A 88 -16.301 11.991 -12.758 1.00 33.42 H new ATOM 0 HG22 VAL A 88 -17.364 13.412 -12.622 1.00 33.42 H new ATOM 0 HG23 VAL A 88 -15.971 13.445 -13.729 1.00 33.42 H new ATOM 1393 N HIS A 89 -13.303 15.624 -10.714 1.00 45.04 N ATOM 1394 CA HIS A 89 -12.354 16.085 -9.706 1.00 52.33 C ATOM 1395 C HIS A 89 -12.443 17.597 -9.528 1.00 44.03 C ATOM 1396 O HIS A 89 -11.981 18.072 -8.490 1.00 52.02 O ATOM 1397 CB HIS A 89 -10.929 15.690 -10.098 1.00 2.24 C ATOM 1398 CG HIS A 89 -10.726 14.209 -10.203 1.00 43.23 C ATOM 1399 ND1 HIS A 89 -11.389 13.301 -9.406 1.00 23.21 N ATOM 1400 CD2 HIS A 89 -9.927 13.481 -11.017 1.00 63.10 C ATOM 1401 CE1 HIS A 89 -11.007 12.077 -9.725 1.00 51.12 C ATOM 1402 NE2 HIS A 89 -10.120 12.160 -10.700 1.00 33.42 N ATOM 0 H HIS A 89 -12.873 15.265 -11.566 1.00 45.04 H new ATOM 0 HA HIS A 89 -12.608 15.609 -8.759 1.00 52.33 H new ATOM 0 HB2 HIS A 89 -10.683 16.151 -11.055 1.00 2.24 H new ATOM 0 HB3 HIS A 89 -10.233 16.093 -9.362 1.00 2.24 H new ATOM 0 HD1 HIS A 89 -12.068 13.537 -8.683 1.00 23.21 H new ATOM 0 HD2 HIS A 89 -9.262 13.868 -11.775 1.00 63.10 H new ATOM 0 HE1 HIS A 89 -11.360 11.165 -9.267 1.00 51.12 H new ATOM 1411 N GLN A 90 -13.006 18.339 -10.476 1.00 51.52 N ATOM 1412 CA GLN A 90 -13.113 19.788 -10.348 1.00 32.04 C ATOM 1413 C GLN A 90 -14.508 20.193 -9.882 1.00 32.32 C ATOM 1414 O GLN A 90 -14.968 21.301 -10.157 1.00 11.31 O ATOM 1415 CB GLN A 90 -12.793 20.464 -11.682 1.00 14.14 C ATOM 1416 CG GLN A 90 -11.303 20.624 -11.941 1.00 1.45 C ATOM 1417 CD GLN A 90 -10.926 22.043 -12.319 1.00 13.10 C ATOM 1418 OE1 GLN A 90 -11.585 22.673 -13.146 1.00 12.42 O ATOM 1419 NE2 GLN A 90 -9.861 22.555 -11.713 1.00 52.12 N ATOM 0 H GLN A 90 -13.395 17.962 -11.340 1.00 51.52 H new ATOM 0 HA GLN A 90 -12.391 20.115 -9.600 1.00 32.04 H new ATOM 0 HB2 GLN A 90 -13.233 19.880 -12.490 1.00 14.14 H new ATOM 0 HB3 GLN A 90 -13.265 21.446 -11.704 1.00 14.14 H new ATOM 0 HG2 GLN A 90 -10.749 20.330 -11.049 1.00 1.45 H new ATOM 0 HG3 GLN A 90 -11.002 19.947 -12.740 1.00 1.45 H new ATOM 0 HE21 GLN A 90 -9.344 21.997 -11.034 1.00 52.12 H new ATOM 0 HE22 GLN A 90 -9.560 23.506 -11.927 1.00 52.12 H new ATOM 1428 N ARG A 91 -15.177 19.286 -9.178 1.00 61.51 N ATOM 1429 CA ARG A 91 -16.521 19.547 -8.675 1.00 15.54 C ATOM 1430 C ARG A 91 -17.462 19.925 -9.814 1.00 1.21 C ATOM 1431 O ARG A 91 -18.439 20.647 -9.611 1.00 24.40 O ATOM 1432 CB ARG A 91 -16.489 20.666 -7.632 1.00 31.04 C ATOM 1433 CG ARG A 91 -15.728 20.299 -6.369 1.00 43.30 C ATOM 1434 CD ARG A 91 -15.338 21.536 -5.575 1.00 71.53 C ATOM 1435 NE ARG A 91 -15.099 21.230 -4.166 1.00 34.04 N ATOM 1436 CZ ARG A 91 -14.739 22.139 -3.268 1.00 23.11 C ATOM 1437 NH1 ARG A 91 -14.578 23.404 -3.628 1.00 3.32 N1+ ATOM 1438 NH2 ARG A 91 -14.540 21.783 -2.005 1.00 60.45 N ATOM 0 H ARG A 91 -14.811 18.364 -8.943 1.00 61.51 H new ATOM 0 HA ARG A 91 -16.892 18.635 -8.208 1.00 15.54 H new ATOM 0 HB2 ARG A 91 -16.034 21.552 -8.076 1.00 31.04 H new ATOM 0 HB3 ARG A 91 -17.512 20.932 -7.365 1.00 31.04 H new ATOM 0 HG2 ARG A 91 -16.343 19.646 -5.749 1.00 43.30 H new ATOM 0 HG3 ARG A 91 -14.832 19.737 -6.633 1.00 43.30 H new ATOM 0 HD2 ARG A 91 -14.440 21.976 -6.008 1.00 71.53 H new ATOM 0 HD3 ARG A 91 -16.129 22.282 -5.655 1.00 71.53 H new ATOM 0 HE ARG A 91 -15.215 20.265 -3.856 1.00 34.04 H new ATOM 0 HH11 ARG A 91 -14.731 23.682 -4.597 1.00 3.32 H new ATOM 0 HH12 ARG A 91 -14.301 24.100 -2.936 1.00 3.32 H new ATOM 0 HH21 ARG A 91 -14.664 20.810 -1.724 1.00 60.45 H new ATOM 0 HH22 ARG A 91 -14.263 22.482 -1.316 1.00 60.45 H new ATOM 1452 N ILE A 92 -17.162 19.434 -11.012 1.00 60.42 N ATOM 1453 CA ILE A 92 -17.982 19.720 -12.183 1.00 65.43 C ATOM 1454 C ILE A 92 -18.944 18.573 -12.473 1.00 35.11 C ATOM 1455 O ILE A 92 -18.533 17.417 -12.580 1.00 63.12 O ATOM 1456 CB ILE A 92 -17.115 19.977 -13.429 1.00 54.21 C ATOM 1457 CG1 ILE A 92 -16.007 20.982 -13.107 1.00 14.15 C ATOM 1458 CG2 ILE A 92 -17.976 20.478 -14.579 1.00 55.22 C ATOM 1459 CD1 ILE A 92 -15.097 21.274 -14.281 1.00 50.30 C ATOM 0 H ILE A 92 -16.357 18.836 -11.197 1.00 60.42 H new ATOM 0 HA ILE A 92 -18.552 20.621 -11.957 1.00 65.43 H new ATOM 0 HB ILE A 92 -16.651 19.038 -13.731 1.00 54.21 H new ATOM 0 HG12 ILE A 92 -16.460 21.914 -12.768 1.00 14.15 H new ATOM 0 HG13 ILE A 92 -15.409 20.599 -12.280 1.00 14.15 H new ATOM 0 HG21 ILE A 92 -17.349 20.655 -15.453 1.00 55.22 H new ATOM 0 HG22 ILE A 92 -18.732 19.730 -14.820 1.00 55.22 H new ATOM 0 HG23 ILE A 92 -18.465 21.408 -14.289 1.00 55.22 H new ATOM 0 HD11 ILE A 92 -14.336 21.994 -13.981 1.00 50.30 H new ATOM 0 HD12 ILE A 92 -14.616 20.352 -14.607 1.00 50.30 H new ATOM 0 HD13 ILE A 92 -15.683 21.687 -15.102 1.00 50.30 H new ATOM 1471 N ASP A 93 -20.224 18.900 -12.603 1.00 64.31 N ATOM 1472 CA ASP A 93 -21.245 17.897 -12.885 1.00 1.34 C ATOM 1473 C ASP A 93 -21.806 18.073 -14.293 1.00 53.21 C ATOM 1474 O ASP A 93 -22.362 19.121 -14.625 1.00 62.55 O ATOM 1475 CB ASP A 93 -22.375 17.987 -11.858 1.00 10.04 C ATOM 1476 CG ASP A 93 -21.945 17.522 -10.481 1.00 30.01 C ATOM 1477 OD1 ASP A 93 -20.730 17.313 -10.278 1.00 24.12 O ATOM 1478 OD2 ASP A 93 -22.822 17.368 -9.606 1.00 71.00 O1- ATOM 0 H ASP A 93 -20.580 19.852 -12.518 1.00 64.31 H new ATOM 0 HA ASP A 93 -20.781 16.913 -12.819 1.00 1.34 H new ATOM 0 HB2 ASP A 93 -22.725 19.017 -11.797 1.00 10.04 H new ATOM 0 HB3 ASP A 93 -23.217 17.383 -12.195 1.00 10.04 H new ATOM 1483 N VAL A 94 -21.653 17.042 -15.118 1.00 15.33 N ATOM 1484 CA VAL A 94 -22.143 17.083 -16.491 1.00 43.34 C ATOM 1485 C VAL A 94 -22.938 15.827 -16.828 1.00 74.54 C ATOM 1486 O VAL A 94 -22.732 14.769 -16.230 1.00 33.24 O ATOM 1487 CB VAL A 94 -20.985 17.230 -17.496 1.00 70.22 C ATOM 1488 CG1 VAL A 94 -20.157 18.466 -17.181 1.00 65.51 C ATOM 1489 CG2 VAL A 94 -20.117 15.981 -17.494 1.00 40.33 C ATOM 0 H VAL A 94 -21.194 16.169 -14.860 1.00 15.33 H new ATOM 0 HA VAL A 94 -22.794 17.954 -16.569 1.00 43.34 H new ATOM 0 HB VAL A 94 -21.406 17.350 -18.494 1.00 70.22 H new ATOM 0 HG11 VAL A 94 -19.344 18.553 -17.902 1.00 65.51 H new ATOM 0 HG12 VAL A 94 -20.789 19.352 -17.239 1.00 65.51 H new ATOM 0 HG13 VAL A 94 -19.743 18.381 -16.176 1.00 65.51 H new ATOM 0 HG21 VAL A 94 -19.304 16.102 -18.210 1.00 40.33 H new ATOM 0 HG22 VAL A 94 -19.703 15.827 -16.497 1.00 40.33 H new ATOM 0 HG23 VAL A 94 -20.721 15.118 -17.774 1.00 40.33 H new ATOM 1499 N LYS A 95 -23.847 15.948 -17.789 1.00 62.12 N ATOM 1500 CA LYS A 95 -24.673 14.822 -18.208 1.00 64.42 C ATOM 1501 C LYS A 95 -23.934 13.951 -19.217 1.00 34.45 C ATOM 1502 O LYS A 95 -23.943 12.724 -19.117 1.00 52.34 O ATOM 1503 CB LYS A 95 -25.985 15.325 -18.816 1.00 61.34 C ATOM 1504 CG LYS A 95 -26.869 16.066 -17.828 1.00 21.45 C ATOM 1505 CD LYS A 95 -27.282 17.427 -18.362 1.00 34.44 C ATOM 1506 CE LYS A 95 -26.489 18.547 -17.708 1.00 53.44 C ATOM 1507 NZ LYS A 95 -26.730 18.614 -16.240 1.00 23.34 N1+ ATOM 0 H LYS A 95 -24.031 16.816 -18.293 1.00 62.12 H new ATOM 0 HA LYS A 95 -24.895 14.218 -17.328 1.00 64.42 H new ATOM 0 HB2 LYS A 95 -25.758 15.985 -19.653 1.00 61.34 H new ATOM 0 HB3 LYS A 95 -26.537 14.476 -19.219 1.00 61.34 H new ATOM 0 HG2 LYS A 95 -27.758 15.472 -17.617 1.00 21.45 H new ATOM 0 HG3 LYS A 95 -26.337 16.190 -16.885 1.00 21.45 H new ATOM 0 HD2 LYS A 95 -27.132 17.456 -19.441 1.00 34.44 H new ATOM 0 HD3 LYS A 95 -28.346 17.581 -18.184 1.00 34.44 H new ATOM 0 HE2 LYS A 95 -25.426 18.396 -17.895 1.00 53.44 H new ATOM 0 HE3 LYS A 95 -26.761 19.499 -18.164 1.00 53.44 H new ATOM 0 HZ1 LYS A 95 -26.594 19.591 -15.910 1.00 23.34 H new ATOM 0 HZ2 LYS A 95 -27.703 18.311 -16.034 1.00 23.34 H new ATOM 0 HZ3 LYS A 95 -26.061 17.987 -15.749 1.00 23.34 H new ATOM 1521 N ASP A 96 -23.293 14.592 -20.189 1.00 72.23 N ATOM 1522 CA ASP A 96 -22.546 13.875 -21.215 1.00 33.15 C ATOM 1523 C ASP A 96 -21.131 14.431 -21.345 1.00 32.41 C ATOM 1524 O ASP A 96 -20.733 15.328 -20.601 1.00 11.22 O ATOM 1525 CB ASP A 96 -23.269 13.966 -22.560 1.00 13.12 C ATOM 1526 CG ASP A 96 -23.670 15.387 -22.906 1.00 63.53 C ATOM 1527 OD1 ASP A 96 -22.789 16.271 -22.900 1.00 11.42 O ATOM 1528 OD2 ASP A 96 -24.866 15.613 -23.183 1.00 4.34 O1- ATOM 0 H ASP A 96 -23.276 15.607 -20.287 1.00 72.23 H new ATOM 0 HA ASP A 96 -22.480 12.829 -20.917 1.00 33.15 H new ATOM 0 HB2 ASP A 96 -22.622 13.573 -23.344 1.00 13.12 H new ATOM 0 HB3 ASP A 96 -24.158 13.336 -22.535 1.00 13.12 H new ATOM 1533 N THR A 97 -20.373 13.891 -22.295 1.00 60.15 N ATOM 1534 CA THR A 97 -19.003 14.331 -22.521 1.00 52.12 C ATOM 1535 C THR A 97 -18.966 15.625 -23.326 1.00 31.32 C ATOM 1536 O THR A 97 -18.084 16.463 -23.135 1.00 63.43 O ATOM 1537 CB THR A 97 -18.183 13.257 -23.260 1.00 74.31 C ATOM 1538 OG1 THR A 97 -18.327 11.992 -22.604 1.00 1.04 O ATOM 1539 CG2 THR A 97 -16.712 13.640 -23.314 1.00 53.43 C ATOM 0 H THR A 97 -20.686 13.148 -22.920 1.00 60.15 H new ATOM 0 HA THR A 97 -18.561 14.504 -21.540 1.00 52.12 H new ATOM 0 HB THR A 97 -18.561 13.183 -24.280 1.00 74.31 H new ATOM 0 HG1 THR A 97 -18.493 11.294 -23.272 1.00 1.04 H new ATOM 0 HG21 THR A 97 -16.154 12.866 -23.841 1.00 53.43 H new ATOM 0 HG22 THR A 97 -16.602 14.588 -23.840 1.00 53.43 H new ATOM 0 HG23 THR A 97 -16.325 13.740 -22.300 1.00 53.43 H new ATOM 1547 N LYS A 98 -19.930 15.783 -24.227 1.00 33.11 N ATOM 1548 CA LYS A 98 -20.009 16.976 -25.061 1.00 62.02 C ATOM 1549 C LYS A 98 -20.084 18.235 -24.203 1.00 1.54 C ATOM 1550 O LYS A 98 -19.588 19.292 -24.592 1.00 31.53 O ATOM 1551 CB LYS A 98 -21.231 16.900 -25.981 1.00 55.12 C ATOM 1552 CG LYS A 98 -21.255 17.979 -27.049 1.00 32.45 C ATOM 1553 CD LYS A 98 -21.280 17.379 -28.446 1.00 52.33 C ATOM 1554 CE LYS A 98 -20.438 18.193 -29.417 1.00 43.41 C ATOM 1555 NZ LYS A 98 -20.394 17.572 -30.769 1.00 32.00 N1+ ATOM 0 H LYS A 98 -20.667 15.099 -24.398 1.00 33.11 H new ATOM 0 HA LYS A 98 -19.106 17.025 -25.669 1.00 62.02 H new ATOM 0 HB2 LYS A 98 -21.252 15.923 -26.463 1.00 55.12 H new ATOM 0 HB3 LYS A 98 -22.135 16.978 -25.377 1.00 55.12 H new ATOM 0 HG2 LYS A 98 -22.131 18.613 -26.908 1.00 32.45 H new ATOM 0 HG3 LYS A 98 -20.379 18.618 -26.942 1.00 32.45 H new ATOM 0 HD2 LYS A 98 -20.908 16.355 -28.410 1.00 52.33 H new ATOM 0 HD3 LYS A 98 -22.308 17.332 -28.805 1.00 52.33 H new ATOM 0 HE2 LYS A 98 -20.845 19.201 -29.494 1.00 43.41 H new ATOM 0 HE3 LYS A 98 -19.424 18.287 -29.028 1.00 43.41 H new ATOM 0 HZ1 LYS A 98 -19.811 18.157 -31.401 1.00 32.00 H new ATOM 0 HZ2 LYS A 98 -19.982 16.620 -30.700 1.00 32.00 H new ATOM 0 HZ3 LYS A 98 -21.359 17.505 -31.152 1.00 32.00 H new ATOM 1569 N GLU A 99 -20.706 18.114 -23.034 1.00 2.23 N ATOM 1570 CA GLU A 99 -20.844 19.243 -22.122 1.00 31.33 C ATOM 1571 C GLU A 99 -19.558 19.465 -21.332 1.00 60.41 C ATOM 1572 O GLU A 99 -19.095 20.595 -21.183 1.00 33.11 O ATOM 1573 CB GLU A 99 -22.013 19.011 -21.161 1.00 12.55 C ATOM 1574 CG GLU A 99 -23.239 19.850 -21.481 1.00 2.21 C ATOM 1575 CD GLU A 99 -24.352 19.038 -22.114 1.00 63.22 C ATOM 1576 OE1 GLU A 99 -24.931 18.180 -21.415 1.00 62.20 O1- ATOM 1577 OE2 GLU A 99 -24.644 19.260 -23.307 1.00 43.11 O ATOM 0 H GLU A 99 -21.122 17.246 -22.697 1.00 2.23 H new ATOM 0 HA GLU A 99 -21.043 20.135 -22.716 1.00 31.33 H new ATOM 0 HB2 GLU A 99 -22.288 17.957 -21.185 1.00 12.55 H new ATOM 0 HB3 GLU A 99 -21.687 19.232 -20.145 1.00 12.55 H new ATOM 0 HG2 GLU A 99 -23.607 20.313 -20.565 1.00 2.21 H new ATOM 0 HG3 GLU A 99 -22.956 20.659 -22.155 1.00 2.21 H new ATOM 1584 N ALA A 100 -18.986 18.377 -20.827 1.00 62.24 N ATOM 1585 CA ALA A 100 -17.753 18.451 -20.053 1.00 31.21 C ATOM 1586 C ALA A 100 -16.645 19.130 -20.850 1.00 3.32 C ATOM 1587 O ALA A 100 -15.752 19.758 -20.280 1.00 14.10 O ATOM 1588 CB ALA A 100 -17.317 17.059 -19.621 1.00 71.33 C ATOM 0 H ALA A 100 -19.357 17.434 -20.940 1.00 62.24 H new ATOM 0 HA ALA A 100 -17.946 19.052 -19.164 1.00 31.21 H new ATOM 0 HB1 ALA A 100 -16.395 17.129 -19.044 1.00 71.33 H new ATOM 0 HB2 ALA A 100 -18.096 16.608 -19.007 1.00 71.33 H new ATOM 0 HB3 ALA A 100 -17.147 16.441 -20.503 1.00 71.33 H new ATOM 1594 N LEU A 101 -16.708 19.000 -22.171 1.00 14.34 N ATOM 1595 CA LEU A 101 -15.709 19.603 -23.048 1.00 60.45 C ATOM 1596 C LEU A 101 -15.875 21.117 -23.103 1.00 4.55 C ATOM 1597 O LEU A 101 -14.896 21.862 -23.048 1.00 63.33 O ATOM 1598 CB LEU A 101 -15.815 19.013 -24.455 1.00 4.22 C ATOM 1599 CG LEU A 101 -15.474 17.529 -24.590 1.00 44.14 C ATOM 1600 CD1 LEU A 101 -16.103 16.949 -25.847 1.00 34.43 C ATOM 1601 CD2 LEU A 101 -13.966 17.329 -24.604 1.00 74.45 C ATOM 0 H LEU A 101 -17.440 18.483 -22.658 1.00 14.34 H new ATOM 0 HA LEU A 101 -14.722 19.381 -22.642 1.00 60.45 H new ATOM 0 HB2 LEU A 101 -16.833 19.165 -24.815 1.00 4.22 H new ATOM 0 HB3 LEU A 101 -15.156 19.578 -25.114 1.00 4.22 H new ATOM 0 HG LEU A 101 -15.883 17.001 -23.728 1.00 44.14 H new ATOM 0 HD11 LEU A 101 -15.849 15.892 -25.926 1.00 34.43 H new ATOM 0 HD12 LEU A 101 -17.186 17.059 -25.796 1.00 34.43 H new ATOM 0 HD13 LEU A 101 -15.725 17.479 -26.721 1.00 34.43 H new ATOM 0 HD21 LEU A 101 -13.741 16.267 -24.701 1.00 74.45 H new ATOM 0 HD22 LEU A 101 -13.535 17.870 -25.447 1.00 74.45 H new ATOM 0 HD23 LEU A 101 -13.540 17.707 -23.675 1.00 74.45 H new ATOM 1613 N ASP A 102 -17.121 21.567 -23.211 1.00 53.12 N ATOM 1614 CA ASP A 102 -17.415 22.994 -23.271 1.00 62.42 C ATOM 1615 C ASP A 102 -17.036 23.682 -21.963 1.00 44.12 C ATOM 1616 O ASP A 102 -16.702 24.867 -21.946 1.00 34.04 O ATOM 1617 CB ASP A 102 -18.899 23.217 -23.567 1.00 2.41 C ATOM 1618 CG ASP A 102 -19.181 23.335 -25.052 1.00 12.13 C ATOM 1619 OD1 ASP A 102 -18.574 22.573 -25.833 1.00 73.44 O1- ATOM 1620 OD2 ASP A 102 -20.009 24.189 -25.434 1.00 70.24 O ATOM 0 H ASP A 102 -17.943 20.964 -23.259 1.00 53.12 H new ATOM 0 HA ASP A 102 -16.822 23.430 -24.075 1.00 62.42 H new ATOM 0 HB2 ASP A 102 -19.477 22.390 -23.155 1.00 2.41 H new ATOM 0 HB3 ASP A 102 -19.235 24.123 -23.063 1.00 2.41 H new ATOM 1625 N LYS A 103 -17.092 22.933 -20.868 1.00 52.03 N ATOM 1626 CA LYS A 103 -16.754 23.470 -19.555 1.00 63.53 C ATOM 1627 C LYS A 103 -15.249 23.674 -19.421 1.00 41.14 C ATOM 1628 O LYS A 103 -14.794 24.717 -18.948 1.00 23.12 O ATOM 1629 CB LYS A 103 -17.251 22.530 -18.453 1.00 31.41 C ATOM 1630 CG LYS A 103 -18.141 23.211 -17.429 1.00 61.13 C ATOM 1631 CD LYS A 103 -19.566 22.688 -17.491 1.00 63.32 C ATOM 1632 CE LYS A 103 -20.214 22.995 -18.833 1.00 72.41 C ATOM 1633 NZ LYS A 103 -21.700 23.017 -18.739 1.00 61.41 N1+ ATOM 0 H LYS A 103 -17.368 21.951 -20.863 1.00 52.03 H new ATOM 0 HA LYS A 103 -17.245 24.437 -19.449 1.00 63.53 H new ATOM 0 HB2 LYS A 103 -17.801 21.707 -18.910 1.00 31.41 H new ATOM 0 HB3 LYS A 103 -16.391 22.095 -17.943 1.00 31.41 H new ATOM 0 HG2 LYS A 103 -17.737 23.049 -16.430 1.00 61.13 H new ATOM 0 HG3 LYS A 103 -18.140 24.287 -17.603 1.00 61.13 H new ATOM 0 HD2 LYS A 103 -19.567 21.611 -17.323 1.00 63.32 H new ATOM 0 HD3 LYS A 103 -20.154 23.136 -16.690 1.00 63.32 H new ATOM 0 HE2 LYS A 103 -19.859 23.960 -19.196 1.00 72.41 H new ATOM 0 HE3 LYS A 103 -19.907 22.247 -19.564 1.00 72.41 H new ATOM 0 HZ1 LYS A 103 -22.104 23.229 -19.674 1.00 61.41 H new ATOM 0 HZ2 LYS A 103 -22.041 22.089 -18.417 1.00 61.41 H new ATOM 0 HZ3 LYS A 103 -21.994 23.748 -18.060 1.00 61.41 H new ATOM 1647 N ILE A 104 -14.481 22.675 -19.842 1.00 53.14 N ATOM 1648 CA ILE A 104 -13.026 22.748 -19.771 1.00 45.31 C ATOM 1649 C ILE A 104 -12.475 23.734 -20.795 1.00 31.10 C ATOM 1650 O ILE A 104 -11.454 24.378 -20.563 1.00 54.45 O ATOM 1651 CB ILE A 104 -12.382 21.369 -20.003 1.00 35.11 C ATOM 1652 CG1 ILE A 104 -12.891 20.362 -18.971 1.00 5.30 C ATOM 1653 CG2 ILE A 104 -10.866 21.476 -19.943 1.00 12.21 C ATOM 1654 CD1 ILE A 104 -12.637 18.921 -19.354 1.00 41.30 C ATOM 0 H ILE A 104 -14.841 21.806 -20.236 1.00 53.14 H new ATOM 0 HA ILE A 104 -12.775 23.092 -18.768 1.00 45.31 H new ATOM 0 HB ILE A 104 -12.664 21.016 -20.995 1.00 35.11 H new ATOM 0 HG12 ILE A 104 -12.413 20.564 -18.012 1.00 5.30 H new ATOM 0 HG13 ILE A 104 -13.962 20.508 -18.830 1.00 5.30 H new ATOM 0 HG21 ILE A 104 -10.425 20.493 -20.109 1.00 12.21 H new ATOM 0 HG22 ILE A 104 -10.519 22.164 -20.714 1.00 12.21 H new ATOM 0 HG23 ILE A 104 -10.566 21.848 -18.963 1.00 12.21 H new ATOM 0 HD11 ILE A 104 -13.025 18.264 -18.576 1.00 41.30 H new ATOM 0 HD12 ILE A 104 -13.138 18.701 -20.297 1.00 41.30 H new ATOM 0 HD13 ILE A 104 -11.565 18.758 -19.466 1.00 41.30 H new ATOM 1666 N GLU A 105 -13.161 23.847 -21.928 1.00 31.15 N ATOM 1667 CA GLU A 105 -12.739 24.756 -22.988 1.00 5.00 C ATOM 1668 C GLU A 105 -13.038 26.205 -22.612 1.00 11.45 C ATOM 1669 O GLU A 105 -12.315 27.120 -23.006 1.00 65.13 O ATOM 1670 CB GLU A 105 -13.440 24.404 -24.301 1.00 24.33 C ATOM 1671 CG GLU A 105 -12.938 25.201 -25.493 1.00 52.33 C ATOM 1672 CD GLU A 105 -14.065 25.775 -26.330 1.00 71.23 C ATOM 1673 OE1 GLU A 105 -14.751 24.989 -27.016 1.00 3.12 O ATOM 1674 OE2 GLU A 105 -14.261 27.007 -26.298 1.00 53.15 O1- ATOM 0 H GLU A 105 -14.010 23.321 -22.136 1.00 31.15 H new ATOM 0 HA GLU A 105 -11.662 24.647 -23.119 1.00 5.00 H new ATOM 0 HB2 GLU A 105 -13.304 23.341 -24.502 1.00 24.33 H new ATOM 0 HB3 GLU A 105 -14.511 24.572 -24.187 1.00 24.33 H new ATOM 0 HG2 GLU A 105 -12.303 26.014 -25.140 1.00 52.33 H new ATOM 0 HG3 GLU A 105 -12.317 24.560 -26.118 1.00 52.33 H new