USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 572 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 66 ASN : amide:sc= 0.163 K(o=0.82,f=-12!) USER MOD Set 1.2: A 70 THR OG1 : rot 180:sc= 0.655 USER MOD Set 2.1: A 10 TYR OH : rot 180:sc= 0.955 USER MOD Set 2.2: A 12 TYR OH : rot 84:sc= 1.13 USER MOD Single : A 1 GLY N :NH3+ -127:sc= 0.0682 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc=-0.00648 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=-0.0061) USER MOD Single : A 11 ASN : amide:sc= -0.188 X(o=-0.19,f=-0.072) USER MOD Single : A 13 THR OG1 : rot 120:sc= 0.236 USER MOD Single : A 17 ASN : amide:sc= -0.482 K(o=-0.48,f=-10!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.065 USER MOD Single : A 29 THR OG1 : rot -15:sc= 0.198 USER MOD Single : A 30 SER OG : rot 180:sc= -0.7 USER MOD Single : A 33 GLN : amide:sc= -0.988 K(o=-0.99,f=-0.17) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0159 USER MOD Single : A 41 THR OG1 : rot -20:sc= 0.262 USER MOD Single : A 45 HIS : no HD1:sc= -0.787 X(o=-0.79,f=-1.2) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.129) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -1.34 K(o=-1.3,f=-3) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0461 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.695 -1.012 -2.850 1.00 62.14 N ATOM 2 CA GLY A 1 2.401 -0.556 -2.378 1.00 72.30 C ATOM 3 C GLY A 1 1.708 0.354 -3.373 1.00 22.14 C ATOM 4 O GLY A 1 2.110 0.437 -4.534 1.00 61.32 O ATOM 0 H1 GLY A 1 3.738 -2.050 -2.796 1.00 62.14 H new ATOM 0 H2 GLY A 1 3.831 -0.710 -3.836 1.00 62.14 H new ATOM 0 H3 GLY A 1 4.445 -0.603 -2.256 1.00 62.14 H new ATOM 0 HA2 GLY A 1 1.766 -1.419 -2.177 1.00 72.30 H new ATOM 0 HA3 GLY A 1 2.528 -0.027 -1.434 1.00 72.30 H new ATOM 10 N THR A 2 0.663 1.037 -2.919 1.00 31.43 N ATOM 11 CA THR A 2 -0.089 1.944 -3.778 1.00 21.31 C ATOM 12 C THR A 2 -0.121 3.353 -3.196 1.00 71.43 C ATOM 13 O THR A 2 0.094 3.563 -2.001 1.00 32.13 O ATOM 14 CB THR A 2 -1.534 1.452 -3.984 1.00 31.02 C ATOM 15 OG1 THR A 2 -1.983 0.745 -2.822 1.00 74.52 O ATOM 16 CG2 THR A 2 -1.629 0.548 -5.204 1.00 63.13 C ATOM 0 H THR A 2 0.317 0.980 -1.961 1.00 31.43 H new ATOM 0 HA THR A 2 0.421 1.964 -4.741 1.00 21.31 H new ATOM 0 HB THR A 2 -2.171 2.322 -4.146 1.00 31.02 H new ATOM 0 HG1 THR A 2 -2.903 0.437 -2.961 1.00 74.52 H new ATOM 0 HG21 THR A 2 -2.659 0.213 -5.329 1.00 63.13 H new ATOM 0 HG22 THR A 2 -1.316 1.099 -6.091 1.00 63.13 H new ATOM 0 HG23 THR A 2 -0.980 -0.317 -5.067 1.00 63.13 H new ATOM 24 N PRO A 3 -0.398 4.343 -4.057 1.00 22.24 N ATOM 25 CA PRO A 3 -0.466 5.749 -3.650 1.00 51.53 C ATOM 26 C PRO A 3 -1.680 6.042 -2.773 1.00 21.02 C ATOM 27 O PRO A 3 -2.704 5.364 -2.870 1.00 25.42 O ATOM 28 CB PRO A 3 -0.576 6.499 -4.980 1.00 52.33 C ATOM 29 CG PRO A 3 -1.177 5.514 -5.921 1.00 61.01 C ATOM 30 CD PRO A 3 -0.665 4.166 -5.494 1.00 71.24 C ATOM 0 HA PRO A 3 0.396 6.040 -3.050 1.00 51.53 H new ATOM 0 HB2 PRO A 3 -1.201 7.387 -4.883 1.00 52.33 H new ATOM 0 HB3 PRO A 3 0.401 6.834 -5.328 1.00 52.33 H new ATOM 0 HG2 PRO A 3 -2.266 5.549 -5.879 1.00 61.01 H new ATOM 0 HG3 PRO A 3 -0.890 5.732 -6.950 1.00 61.01 H new ATOM 0 HD2 PRO A 3 -1.401 3.382 -5.673 1.00 71.24 H new ATOM 0 HD3 PRO A 3 0.237 3.887 -6.039 1.00 71.24 H new ATOM 38 N SER A 4 -1.557 7.053 -1.919 1.00 53.30 N ATOM 39 CA SER A 4 -2.644 7.431 -1.023 1.00 1.23 C ATOM 40 C SER A 4 -2.616 8.931 -0.739 1.00 70.21 C ATOM 41 O SER A 4 -1.598 9.592 -0.937 1.00 72.45 O ATOM 42 CB SER A 4 -2.547 6.650 0.289 1.00 45.22 C ATOM 43 OG SER A 4 -2.600 5.254 0.056 1.00 21.10 O ATOM 0 H SER A 4 -0.717 7.624 -1.829 1.00 53.30 H new ATOM 0 HA SER A 4 -3.587 7.188 -1.513 1.00 1.23 H new ATOM 0 HB2 SER A 4 -1.617 6.902 0.798 1.00 45.22 H new ATOM 0 HB3 SER A 4 -3.362 6.943 0.951 1.00 45.22 H new ATOM 0 HG SER A 4 -2.534 4.777 0.910 1.00 21.10 H new ATOM 49 N ALA A 5 -3.743 9.458 -0.274 1.00 44.51 N ATOM 50 CA ALA A 5 -3.849 10.878 0.040 1.00 71.53 C ATOM 51 C ALA A 5 -2.771 11.303 1.030 1.00 64.50 C ATOM 52 O ALA A 5 -2.382 12.471 1.076 1.00 75.23 O ATOM 53 CB ALA A 5 -5.231 11.195 0.592 1.00 50.33 C ATOM 0 H ALA A 5 -4.596 8.924 -0.106 1.00 44.51 H new ATOM 0 HA ALA A 5 -3.701 11.441 -0.882 1.00 71.53 H new ATOM 0 HB1 ALA A 5 -5.296 12.258 0.822 1.00 50.33 H new ATOM 0 HB2 ALA A 5 -5.987 10.937 -0.150 1.00 50.33 H new ATOM 0 HB3 ALA A 5 -5.402 10.616 1.500 1.00 50.33 H new ATOM 59 N ASP A 6 -2.291 10.351 1.820 1.00 73.12 N ATOM 60 CA ASP A 6 -1.256 10.627 2.811 1.00 73.34 C ATOM 61 C ASP A 6 0.065 10.976 2.131 1.00 50.31 C ATOM 62 O ASP A 6 0.909 11.659 2.711 1.00 61.44 O ATOM 63 CB ASP A 6 -1.067 9.421 3.731 1.00 32.21 C ATOM 64 CG ASP A 6 -0.510 9.809 5.087 1.00 10.24 C ATOM 65 OD1 ASP A 6 -1.308 10.201 5.965 1.00 72.44 O ATOM 66 OD2 ASP A 6 0.723 9.725 5.270 1.00 60.32 O1- ATOM 0 H ASP A 6 -2.601 9.380 1.795 1.00 73.12 H new ATOM 0 HA ASP A 6 -1.575 11.482 3.407 1.00 73.34 H new ATOM 0 HB2 ASP A 6 -2.024 8.917 3.865 1.00 32.21 H new ATOM 0 HB3 ASP A 6 -0.394 8.707 3.256 1.00 32.21 H new ATOM 71 N GLN A 7 0.238 10.501 0.902 1.00 61.34 N ATOM 72 CA GLN A 7 1.457 10.762 0.147 1.00 33.32 C ATOM 73 C GLN A 7 1.471 12.190 -0.387 1.00 30.12 C ATOM 74 O GLN A 7 2.532 12.794 -0.548 1.00 65.14 O ATOM 75 CB GLN A 7 1.587 9.771 -1.011 1.00 3.44 C ATOM 76 CG GLN A 7 2.037 8.385 -0.578 1.00 3.33 C ATOM 77 CD GLN A 7 3.545 8.228 -0.596 1.00 3.22 C ATOM 78 OE1 GLN A 7 4.140 7.971 -1.642 1.00 64.11 O ATOM 79 NE2 GLN A 7 4.169 8.382 0.565 1.00 43.14 N ATOM 0 H GLN A 7 -0.451 9.933 0.408 1.00 61.34 H new ATOM 0 HA GLN A 7 2.305 10.637 0.820 1.00 33.32 H new ATOM 0 HB2 GLN A 7 0.626 9.690 -1.518 1.00 3.44 H new ATOM 0 HB3 GLN A 7 2.298 10.165 -1.737 1.00 3.44 H new ATOM 0 HG2 GLN A 7 1.667 8.185 0.427 1.00 3.33 H new ATOM 0 HG3 GLN A 7 1.590 7.640 -1.236 1.00 3.33 H new ATOM 0 HE21 GLN A 7 3.634 8.595 1.407 1.00 43.14 H new ATOM 0 HE22 GLN A 7 5.183 8.288 0.615 1.00 43.14 H new ATOM 88 N VAL A 8 0.286 12.727 -0.661 1.00 11.23 N ATOM 89 CA VAL A 8 0.161 14.084 -1.178 1.00 70.32 C ATOM 90 C VAL A 8 -0.041 15.085 -0.045 1.00 51.41 C ATOM 91 O VAL A 8 -0.480 16.214 -0.272 1.00 2.43 O ATOM 92 CB VAL A 8 -1.011 14.202 -2.169 1.00 23.21 C ATOM 93 CG1 VAL A 8 -0.747 13.365 -3.410 1.00 70.42 C ATOM 94 CG2 VAL A 8 -2.315 13.792 -1.503 1.00 21.21 C ATOM 0 H VAL A 8 -0.602 12.242 -0.533 1.00 11.23 H new ATOM 0 HA VAL A 8 1.090 14.312 -1.700 1.00 70.32 H new ATOM 0 HB VAL A 8 -1.101 15.244 -2.477 1.00 23.21 H new ATOM 0 HG11 VAL A 8 -1.586 13.461 -4.099 1.00 70.42 H new ATOM 0 HG12 VAL A 8 0.164 13.713 -3.897 1.00 70.42 H new ATOM 0 HG13 VAL A 8 -0.629 12.319 -3.125 1.00 70.42 H new ATOM 0 HG21 VAL A 8 -3.133 13.882 -2.218 1.00 21.21 H new ATOM 0 HG22 VAL A 8 -2.241 12.759 -1.164 1.00 21.21 H new ATOM 0 HG23 VAL A 8 -2.507 14.441 -0.649 1.00 21.21 H new ATOM 104 N ARG A 9 0.280 14.664 1.174 1.00 23.24 N ATOM 105 CA ARG A 9 0.132 15.525 2.342 1.00 13.23 C ATOM 106 C ARG A 9 1.142 16.668 2.307 1.00 52.15 C ATOM 107 O ARG A 9 1.943 16.774 1.378 1.00 24.40 O ATOM 108 CB ARG A 9 0.313 14.711 3.626 1.00 64.10 C ATOM 109 CG ARG A 9 -0.948 13.987 4.069 1.00 33.12 C ATOM 110 CD ARG A 9 -1.980 14.953 4.625 1.00 30.54 C ATOM 111 NE ARG A 9 -2.940 15.374 3.609 1.00 63.31 N ATOM 112 CZ ARG A 9 -3.944 14.612 3.185 1.00 44.51 C ATOM 113 NH1 ARG A 9 -4.117 13.399 3.688 1.00 13.12 N1+ ATOM 114 NH2 ARG A 9 -4.776 15.066 2.257 1.00 52.12 N ATOM 0 H ARG A 9 0.644 13.733 1.379 1.00 23.24 H new ATOM 0 HA ARG A 9 -0.872 15.949 2.325 1.00 13.23 H new ATOM 0 HB2 ARG A 9 1.107 13.980 3.474 1.00 64.10 H new ATOM 0 HB3 ARG A 9 0.640 15.376 4.425 1.00 64.10 H new ATOM 0 HG2 ARG A 9 -1.373 13.445 3.224 1.00 33.12 H new ATOM 0 HG3 ARG A 9 -0.696 13.246 4.828 1.00 33.12 H new ATOM 0 HD2 ARG A 9 -2.511 14.480 5.451 1.00 30.54 H new ATOM 0 HD3 ARG A 9 -1.474 15.829 5.031 1.00 30.54 H new ATOM 0 HE ARG A 9 -2.835 16.303 3.202 1.00 63.31 H new ATOM 0 HH11 ARG A 9 -3.479 13.047 4.402 1.00 13.12 H new ATOM 0 HH12 ARG A 9 -4.888 12.817 3.361 1.00 13.12 H new ATOM 0 HH21 ARG A 9 -4.646 16.000 1.868 1.00 52.12 H new ATOM 0 HH22 ARG A 9 -5.546 14.481 1.932 1.00 52.12 H new ATOM 128 N TYR A 10 1.097 17.522 3.323 1.00 14.33 N ATOM 129 CA TYR A 10 2.004 18.660 3.406 1.00 71.55 C ATOM 130 C TYR A 10 2.417 18.923 4.851 1.00 52.43 C ATOM 131 O TYR A 10 1.708 18.555 5.787 1.00 74.35 O ATOM 132 CB TYR A 10 1.346 19.909 2.816 1.00 34.44 C ATOM 133 CG TYR A 10 0.277 20.504 3.703 1.00 40.24 C ATOM 134 CD1 TYR A 10 0.599 21.418 4.699 1.00 21.35 C ATOM 135 CD2 TYR A 10 -1.060 20.154 3.541 1.00 40.41 C ATOM 136 CE1 TYR A 10 -0.377 21.964 5.509 1.00 1.11 C ATOM 137 CE2 TYR A 10 -2.042 20.698 4.349 1.00 61.22 C ATOM 138 CZ TYR A 10 -1.695 21.600 5.331 1.00 2.14 C ATOM 139 OH TYR A 10 -2.671 22.143 6.136 1.00 11.10 O ATOM 0 H TYR A 10 0.442 17.448 4.101 1.00 14.33 H new ATOM 0 HA TYR A 10 2.898 18.422 2.829 1.00 71.55 H new ATOM 0 HB2 TYR A 10 2.113 20.661 2.631 1.00 34.44 H new ATOM 0 HB3 TYR A 10 0.907 19.657 1.851 1.00 34.44 H new ATOM 0 HD1 TYR A 10 1.630 21.706 4.842 1.00 21.35 H new ATOM 0 HD2 TYR A 10 -1.335 19.447 2.773 1.00 40.41 H new ATOM 0 HE1 TYR A 10 -0.109 22.673 6.278 1.00 1.11 H new ATOM 0 HE2 TYR A 10 -3.076 20.417 4.211 1.00 61.22 H new ATOM 0 HH TYR A 10 -3.545 21.782 5.879 1.00 11.10 H new ATOM 149 N ASN A 11 3.569 19.564 5.024 1.00 42.23 N ATOM 150 CA ASN A 11 4.076 19.877 6.355 1.00 42.31 C ATOM 151 C ASN A 11 4.233 21.384 6.537 1.00 20.03 C ATOM 152 O ASN A 11 4.611 22.096 5.606 1.00 44.41 O ATOM 153 CB ASN A 11 5.420 19.182 6.587 1.00 13.35 C ATOM 154 CG ASN A 11 6.196 19.794 7.737 1.00 32.15 C ATOM 155 OD1 ASN A 11 5.785 19.707 8.894 1.00 50.24 O ATOM 156 ND2 ASN A 11 7.325 20.418 7.422 1.00 62.24 N ATOM 0 H ASN A 11 4.168 19.876 4.260 1.00 42.23 H new ATOM 0 HA ASN A 11 3.354 19.514 7.087 1.00 42.31 H new ATOM 0 HB2 ASN A 11 5.249 18.125 6.789 1.00 13.35 H new ATOM 0 HB3 ASN A 11 6.018 19.240 5.677 1.00 13.35 H new ATOM 0 HD21 ASN A 11 7.890 20.850 8.153 1.00 62.24 H new ATOM 0 HD22 ASN A 11 7.627 20.465 6.449 1.00 62.24 H new ATOM 163 N TYR A 12 3.940 21.863 7.740 1.00 45.02 N ATOM 164 CA TYR A 12 4.046 23.286 8.044 1.00 72.31 C ATOM 165 C TYR A 12 5.504 23.696 8.227 1.00 31.24 C ATOM 166 O TYR A 12 6.179 23.239 9.150 1.00 51.10 O ATOM 167 CB TYR A 12 3.247 23.620 9.306 1.00 11.32 C ATOM 168 CG TYR A 12 1.750 23.592 9.100 1.00 4.11 C ATOM 169 CD1 TYR A 12 1.122 24.537 8.298 1.00 5.04 C ATOM 170 CD2 TYR A 12 0.963 22.620 9.707 1.00 12.20 C ATOM 171 CE1 TYR A 12 -0.246 24.516 8.108 1.00 33.01 C ATOM 172 CE2 TYR A 12 -0.404 22.592 9.521 1.00 33.51 C ATOM 173 CZ TYR A 12 -1.005 23.540 8.721 1.00 53.13 C ATOM 174 OH TYR A 12 -2.369 23.515 8.535 1.00 31.24 O ATOM 0 H TYR A 12 3.627 21.287 8.522 1.00 45.02 H new ATOM 0 HA TYR A 12 3.634 23.844 7.203 1.00 72.31 H new ATOM 0 HB2 TYR A 12 3.511 22.911 10.091 1.00 11.32 H new ATOM 0 HB3 TYR A 12 3.538 24.609 9.659 1.00 11.32 H new ATOM 0 HD1 TYR A 12 1.713 25.301 7.815 1.00 5.04 H new ATOM 0 HD2 TYR A 12 1.429 21.875 10.334 1.00 12.20 H new ATOM 0 HE1 TYR A 12 -0.719 25.259 7.483 1.00 33.01 H new ATOM 0 HE2 TYR A 12 -1.001 21.830 10.000 1.00 33.51 H new ATOM 0 HH TYR A 12 -2.577 23.045 7.700 1.00 31.24 H new ATOM 184 N THR A 13 5.983 24.563 7.340 1.00 52.44 N ATOM 185 CA THR A 13 7.361 25.036 7.402 1.00 21.44 C ATOM 186 C THR A 13 7.415 26.552 7.552 1.00 1.51 C ATOM 187 O THR A 13 6.412 27.239 7.360 1.00 61.40 O ATOM 188 CB THR A 13 8.151 24.628 6.144 1.00 0.51 C ATOM 189 OG1 THR A 13 7.587 25.253 4.986 1.00 12.51 O ATOM 190 CG2 THR A 13 8.143 23.117 5.967 1.00 33.31 C ATOM 0 H THR A 13 5.438 24.952 6.571 1.00 52.44 H new ATOM 0 HA THR A 13 7.817 24.570 8.276 1.00 21.44 H new ATOM 0 HB THR A 13 9.183 24.958 6.267 1.00 0.51 H new ATOM 0 HG1 THR A 13 8.262 25.821 4.559 1.00 12.51 H new ATOM 0 HG21 THR A 13 8.707 22.852 5.072 1.00 33.31 H new ATOM 0 HG22 THR A 13 8.601 22.646 6.837 1.00 33.31 H new ATOM 0 HG23 THR A 13 7.115 22.768 5.865 1.00 33.31 H new ATOM 198 N GLU A 14 8.591 27.066 7.897 1.00 33.12 N ATOM 199 CA GLU A 14 8.774 28.502 8.073 1.00 45.32 C ATOM 200 C GLU A 14 9.333 29.139 6.805 1.00 72.14 C ATOM 201 O GLU A 14 10.147 28.538 6.101 1.00 2.41 O ATOM 202 CB GLU A 14 9.710 28.779 9.252 1.00 43.44 C ATOM 203 CG GLU A 14 9.089 29.651 10.330 1.00 35.42 C ATOM 204 CD GLU A 14 10.098 30.102 11.369 1.00 64.44 C ATOM 205 OE1 GLU A 14 11.311 30.058 11.075 1.00 12.22 O ATOM 206 OE2 GLU A 14 9.675 30.497 12.474 1.00 31.43 O1- ATOM 0 H GLU A 14 9.431 26.510 8.060 1.00 33.12 H new ATOM 0 HA GLU A 14 7.799 28.943 8.281 1.00 45.32 H new ATOM 0 HB2 GLU A 14 10.014 27.830 9.694 1.00 43.44 H new ATOM 0 HB3 GLU A 14 10.614 29.262 8.882 1.00 43.44 H new ATOM 0 HG2 GLU A 14 8.634 30.527 9.867 1.00 35.42 H new ATOM 0 HG3 GLU A 14 8.288 29.099 10.822 1.00 35.42 H new ATOM 213 N LEU A 15 8.893 30.358 6.518 1.00 31.01 N ATOM 214 CA LEU A 15 9.349 31.078 5.333 1.00 75.52 C ATOM 215 C LEU A 15 10.169 32.303 5.722 1.00 52.53 C ATOM 216 O LEU A 15 10.078 32.812 6.840 1.00 52.44 O ATOM 217 CB LEU A 15 8.152 31.503 4.479 1.00 45.14 C ATOM 218 CG LEU A 15 7.590 30.440 3.536 1.00 61.13 C ATOM 219 CD1 LEU A 15 6.156 30.772 3.152 1.00 24.13 C ATOM 220 CD2 LEU A 15 8.460 30.313 2.294 1.00 34.00 C ATOM 0 H LEU A 15 8.221 30.870 7.089 1.00 31.01 H new ATOM 0 HA LEU A 15 9.983 30.408 4.753 1.00 75.52 H new ATOM 0 HB2 LEU A 15 7.353 31.828 5.145 1.00 45.14 H new ATOM 0 HB3 LEU A 15 8.444 32.369 3.885 1.00 45.14 H new ATOM 0 HG LEU A 15 7.594 29.482 4.057 1.00 61.13 H new ATOM 0 HD11 LEU A 15 5.772 30.004 2.480 1.00 24.13 H new ATOM 0 HD12 LEU A 15 5.539 30.811 4.049 1.00 24.13 H new ATOM 0 HD13 LEU A 15 6.128 31.740 2.651 1.00 24.13 H new ATOM 0 HD21 LEU A 15 8.044 29.551 1.635 1.00 34.00 H new ATOM 0 HD22 LEU A 15 8.489 31.269 1.771 1.00 34.00 H new ATOM 0 HD23 LEU A 15 9.471 30.028 2.585 1.00 34.00 H new ATOM 232 N PRO A 16 10.993 32.787 4.781 1.00 52.33 N ATOM 233 CA PRO A 16 11.845 33.959 5.002 1.00 73.22 C ATOM 234 C PRO A 16 11.041 35.250 5.103 1.00 42.24 C ATOM 235 O PRO A 16 11.519 36.251 5.636 1.00 30.55 O ATOM 236 CB PRO A 16 12.743 33.984 3.762 1.00 54.14 C ATOM 237 CG PRO A 16 11.956 33.280 2.712 1.00 53.42 C ATOM 238 CD PRO A 16 11.155 32.229 3.429 1.00 70.53 C ATOM 0 HA PRO A 16 12.394 33.892 5.941 1.00 73.22 H new ATOM 0 HB2 PRO A 16 12.977 35.006 3.463 1.00 54.14 H new ATOM 0 HB3 PRO A 16 13.692 33.481 3.950 1.00 54.14 H new ATOM 0 HG2 PRO A 16 11.303 33.974 2.182 1.00 53.42 H new ATOM 0 HG3 PRO A 16 12.613 32.830 1.968 1.00 53.42 H new ATOM 0 HD2 PRO A 16 10.193 32.059 2.947 1.00 70.53 H new ATOM 0 HD3 PRO A 16 11.675 31.271 3.449 1.00 70.53 H new ATOM 246 N ASN A 17 9.817 35.221 4.586 1.00 3.13 N ATOM 247 CA ASN A 17 8.946 36.390 4.618 1.00 21.43 C ATOM 248 C ASN A 17 8.297 36.548 5.990 1.00 30.55 C ATOM 249 O ASN A 17 7.608 37.533 6.254 1.00 12.42 O ATOM 250 CB ASN A 17 7.864 36.277 3.542 1.00 30.03 C ATOM 251 CG ASN A 17 6.906 35.131 3.803 1.00 50.24 C ATOM 252 OD1 ASN A 17 7.128 34.312 4.696 1.00 12.44 O ATOM 253 ND2 ASN A 17 5.833 35.068 3.023 1.00 24.23 N ATOM 0 H ASN A 17 9.406 34.401 4.140 1.00 3.13 H new ATOM 0 HA ASN A 17 9.557 37.271 4.420 1.00 21.43 H new ATOM 0 HB2 ASN A 17 7.304 37.211 3.494 1.00 30.03 H new ATOM 0 HB3 ASN A 17 8.336 36.138 2.569 1.00 30.03 H new ATOM 0 HD21 ASN A 17 5.152 34.319 3.151 1.00 24.23 H new ATOM 0 HD22 ASN A 17 5.690 35.768 2.295 1.00 24.23 H new ATOM 260 N GLY A 18 8.526 35.571 6.863 1.00 75.24 N ATOM 261 CA GLY A 18 7.957 35.621 8.198 1.00 63.13 C ATOM 262 C GLY A 18 6.790 34.668 8.366 1.00 23.55 C ATOM 263 O GLY A 18 6.487 34.240 9.480 1.00 61.41 O ATOM 0 H GLY A 18 9.095 34.747 6.670 1.00 75.24 H new ATOM 0 HA2 GLY A 18 8.729 35.378 8.928 1.00 63.13 H new ATOM 0 HA3 GLY A 18 7.626 36.637 8.411 1.00 63.13 H new ATOM 267 N GLU A 19 6.132 34.339 7.259 1.00 64.42 N ATOM 268 CA GLU A 19 4.990 33.433 7.292 1.00 70.10 C ATOM 269 C GLU A 19 5.449 31.978 7.304 1.00 45.33 C ATOM 270 O GLU A 19 6.646 31.693 7.367 1.00 50.13 O ATOM 271 CB GLU A 19 4.079 33.681 6.087 1.00 2.11 C ATOM 272 CG GLU A 19 3.822 35.154 5.812 1.00 53.05 C ATOM 273 CD GLU A 19 2.449 35.406 5.221 1.00 73.31 C ATOM 274 OE1 GLU A 19 2.006 34.592 4.382 1.00 52.10 O1- ATOM 275 OE2 GLU A 19 1.816 36.414 5.598 1.00 64.10 O ATOM 0 H GLU A 19 6.370 34.686 6.330 1.00 64.42 H new ATOM 0 HA GLU A 19 4.432 33.627 8.208 1.00 70.10 H new ATOM 0 HB2 GLU A 19 4.528 33.228 5.203 1.00 2.11 H new ATOM 0 HB3 GLU A 19 3.126 33.179 6.253 1.00 2.11 H new ATOM 0 HG2 GLU A 19 3.922 35.716 6.741 1.00 53.05 H new ATOM 0 HG3 GLU A 19 4.583 35.530 5.128 1.00 53.05 H new ATOM 282 N TYR A 20 4.490 31.061 7.246 1.00 61.53 N ATOM 283 CA TYR A 20 4.794 29.635 7.253 1.00 34.14 C ATOM 284 C TYR A 20 4.816 29.074 5.834 1.00 55.31 C ATOM 285 O TYR A 20 5.869 28.705 5.316 1.00 31.44 O ATOM 286 CB TYR A 20 3.769 28.878 8.098 1.00 60.13 C ATOM 287 CG TYR A 20 4.232 28.604 9.511 1.00 60.13 C ATOM 288 CD1 TYR A 20 4.061 29.550 10.515 1.00 0.13 C ATOM 289 CD2 TYR A 20 4.838 27.399 9.843 1.00 15.40 C ATOM 290 CE1 TYR A 20 4.483 29.304 11.807 1.00 4.43 C ATOM 291 CE2 TYR A 20 5.261 27.144 11.133 1.00 61.50 C ATOM 292 CZ TYR A 20 5.082 28.100 12.111 1.00 52.13 C ATOM 293 OH TYR A 20 5.502 27.851 13.397 1.00 70.22 O ATOM 0 H TYR A 20 3.495 31.280 7.194 1.00 61.53 H new ATOM 0 HA TYR A 20 5.784 29.503 7.690 1.00 34.14 H new ATOM 0 HB2 TYR A 20 2.844 29.453 8.133 1.00 60.13 H new ATOM 0 HB3 TYR A 20 3.537 27.931 7.611 1.00 60.13 H new ATOM 0 HD1 TYR A 20 3.590 30.493 10.281 1.00 0.13 H new ATOM 0 HD2 TYR A 20 4.981 26.649 9.079 1.00 15.40 H new ATOM 0 HE1 TYR A 20 4.344 30.051 12.575 1.00 4.43 H new ATOM 0 HE2 TYR A 20 5.729 26.201 11.374 1.00 61.50 H new ATOM 0 HH TYR A 20 5.902 26.957 13.443 1.00 70.22 H new ATOM 303 N CYS A 21 3.643 29.015 5.211 1.00 45.41 N ATOM 304 CA CYS A 21 3.523 28.500 3.852 1.00 22.34 C ATOM 305 C CYS A 21 2.096 28.655 3.337 1.00 21.40 C ATOM 306 O CYS A 21 1.143 28.684 4.115 1.00 34.13 O ATOM 307 CB CYS A 21 3.940 27.029 3.804 1.00 14.31 C ATOM 308 SG CYS A 21 2.749 25.894 4.587 1.00 72.04 S ATOM 0 H CYS A 21 2.762 29.318 5.626 1.00 45.41 H new ATOM 0 HA CYS A 21 4.186 29.079 3.209 1.00 22.34 H new ATOM 0 HB2 CYS A 21 4.076 26.735 2.763 1.00 14.31 H new ATOM 0 HB3 CYS A 21 4.907 26.920 4.295 1.00 14.31 H new ATOM 313 N TYR A 22 1.957 28.753 2.019 1.00 73.41 N ATOM 314 CA TYR A 22 0.647 28.907 1.398 1.00 25.14 C ATOM 315 C TYR A 22 -0.016 27.548 1.183 1.00 21.32 C ATOM 316 O TYR A 22 0.522 26.684 0.491 1.00 14.24 O ATOM 317 CB TYR A 22 0.775 29.642 0.063 1.00 71.24 C ATOM 318 CG TYR A 22 0.918 31.140 0.208 1.00 53.20 C ATOM 319 CD1 TYR A 22 0.071 31.862 1.039 1.00 71.22 C ATOM 320 CD2 TYR A 22 1.904 31.833 -0.484 1.00 33.03 C ATOM 321 CE1 TYR A 22 0.197 33.230 1.174 1.00 43.51 C ATOM 322 CE2 TYR A 22 2.040 33.202 -0.354 1.00 75.54 C ATOM 323 CZ TYR A 22 1.184 33.896 0.475 1.00 12.31 C ATOM 324 OH TYR A 22 1.314 35.259 0.607 1.00 10.53 O ATOM 0 H TYR A 22 2.736 28.728 1.361 1.00 73.41 H new ATOM 0 HA TYR A 22 0.021 29.495 2.069 1.00 25.14 H new ATOM 0 HB2 TYR A 22 1.640 29.253 -0.475 1.00 71.24 H new ATOM 0 HB3 TYR A 22 -0.103 29.427 -0.546 1.00 71.24 H new ATOM 0 HD1 TYR A 22 -0.700 31.344 1.590 1.00 71.22 H new ATOM 0 HD2 TYR A 22 2.575 31.292 -1.135 1.00 33.03 H new ATOM 0 HE1 TYR A 22 -0.472 33.776 1.822 1.00 43.51 H new ATOM 0 HE2 TYR A 22 2.812 33.725 -0.898 1.00 75.54 H new ATOM 0 HH TYR A 22 2.057 35.572 0.050 1.00 10.53 H new ATOM 334 N THR A 23 -1.190 27.370 1.781 1.00 31.22 N ATOM 335 CA THR A 23 -1.928 26.119 1.654 1.00 12.23 C ATOM 336 C THR A 23 -2.040 25.690 0.196 1.00 3.11 C ATOM 337 O THR A 23 -1.847 26.482 -0.726 1.00 50.51 O ATOM 338 CB THR A 23 -3.341 26.239 2.253 1.00 70.34 C ATOM 339 OG1 THR A 23 -3.735 27.615 2.312 1.00 51.01 O ATOM 340 CG2 THR A 23 -3.393 25.633 3.648 1.00 42.22 C ATOM 0 H THR A 23 -1.650 28.075 2.357 1.00 31.22 H new ATOM 0 HA THR A 23 -1.369 25.365 2.208 1.00 12.23 H new ATOM 0 HB THR A 23 -4.029 25.691 1.610 1.00 70.34 H new ATOM 0 HG1 THR A 23 -4.636 27.681 2.693 1.00 51.01 H new ATOM 0 HG21 THR A 23 -4.402 25.730 4.050 1.00 42.22 H new ATOM 0 HG22 THR A 23 -3.123 24.578 3.597 1.00 42.22 H new ATOM 0 HG23 THR A 23 -2.692 26.156 4.298 1.00 42.22 H new ATOM 348 N PRO A 24 -2.361 24.406 -0.021 1.00 10.51 N ATOM 349 CA PRO A 24 -2.507 23.844 -1.366 1.00 1.33 C ATOM 350 C PRO A 24 -3.742 24.375 -2.086 1.00 0.42 C ATOM 351 O PRO A 24 -4.712 24.789 -1.451 1.00 21.20 O ATOM 352 CB PRO A 24 -2.645 22.341 -1.110 1.00 42.41 C ATOM 353 CG PRO A 24 -3.186 22.241 0.275 1.00 13.41 C ATOM 354 CD PRO A 24 -2.607 23.405 1.031 1.00 22.44 C ATOM 0 HA PRO A 24 -1.667 24.106 -2.009 1.00 1.33 H new ATOM 0 HB2 PRO A 24 -3.317 21.876 -1.832 1.00 42.41 H new ATOM 0 HB3 PRO A 24 -1.684 21.835 -1.197 1.00 42.41 H new ATOM 0 HG2 PRO A 24 -4.275 22.281 0.272 1.00 13.41 H new ATOM 0 HG3 PRO A 24 -2.902 21.296 0.737 1.00 13.41 H new ATOM 0 HD2 PRO A 24 -3.299 23.778 1.787 1.00 22.44 H new ATOM 0 HD3 PRO A 24 -1.687 23.131 1.548 1.00 22.44 H new ATOM 362 N ARG A 25 -3.701 24.360 -3.415 1.00 41.50 N ATOM 363 CA ARG A 25 -4.816 24.842 -4.219 1.00 11.30 C ATOM 364 C ARG A 25 -5.026 26.339 -4.016 1.00 42.24 C ATOM 365 O ARG A 25 -6.101 26.869 -4.295 1.00 30.50 O ATOM 366 CB ARG A 25 -6.095 24.084 -3.863 1.00 71.35 C ATOM 367 CG ARG A 25 -6.532 23.091 -4.926 1.00 24.20 C ATOM 368 CD ARG A 25 -5.561 21.926 -5.034 1.00 13.12 C ATOM 369 NE ARG A 25 -4.372 22.275 -5.807 1.00 61.42 N ATOM 370 CZ ARG A 25 -4.373 22.433 -7.126 1.00 63.21 C ATOM 371 NH1 ARG A 25 -5.495 22.276 -7.815 1.00 60.40 N1+ ATOM 372 NH2 ARG A 25 -3.250 22.751 -7.759 1.00 31.52 N ATOM 0 H ARG A 25 -2.907 24.019 -3.957 1.00 41.50 H new ATOM 0 HA ARG A 25 -4.577 24.665 -5.268 1.00 11.30 H new ATOM 0 HB2 ARG A 25 -5.943 23.553 -2.923 1.00 71.35 H new ATOM 0 HB3 ARG A 25 -6.898 24.802 -3.697 1.00 71.35 H new ATOM 0 HG2 ARG A 25 -7.527 22.716 -4.687 1.00 24.20 H new ATOM 0 HG3 ARG A 25 -6.604 23.596 -5.889 1.00 24.20 H new ATOM 0 HD2 ARG A 25 -5.263 21.608 -4.035 1.00 13.12 H new ATOM 0 HD3 ARG A 25 -6.062 21.079 -5.502 1.00 13.12 H new ATOM 0 HE ARG A 25 -3.493 22.405 -5.307 1.00 61.42 H new ATOM 0 HH11 ARG A 25 -6.360 22.033 -7.332 1.00 60.40 H new ATOM 0 HH12 ARG A 25 -5.493 22.398 -8.828 1.00 60.40 H new ATOM 0 HH21 ARG A 25 -2.385 22.874 -7.232 1.00 31.52 H new ATOM 0 HH22 ARG A 25 -3.252 22.872 -8.772 1.00 31.52 H new ATOM 386 N ARG A 26 -3.990 27.017 -3.531 1.00 23.54 N ATOM 387 CA ARG A 26 -4.061 28.452 -3.289 1.00 14.21 C ATOM 388 C ARG A 26 -3.175 29.214 -4.271 1.00 22.51 C ATOM 389 O ARG A 26 -2.075 28.771 -4.602 1.00 34.12 O ATOM 390 CB ARG A 26 -3.642 28.772 -1.853 1.00 32.13 C ATOM 391 CG ARG A 26 -4.571 29.748 -1.149 1.00 14.42 C ATOM 392 CD ARG A 26 -3.963 31.141 -1.077 1.00 12.23 C ATOM 393 NE ARG A 26 -4.870 32.101 -0.455 1.00 53.14 N ATOM 394 CZ ARG A 26 -5.983 32.541 -1.031 1.00 71.13 C ATOM 395 NH1 ARG A 26 -6.324 32.107 -2.236 1.00 44.20 N1+ ATOM 396 NH2 ARG A 26 -6.756 33.415 -0.401 1.00 33.14 N ATOM 0 H ARG A 26 -3.091 26.594 -3.298 1.00 23.54 H new ATOM 0 HA ARG A 26 -5.094 28.768 -3.437 1.00 14.21 H new ATOM 0 HB2 ARG A 26 -3.601 27.845 -1.281 1.00 32.13 H new ATOM 0 HB3 ARG A 26 -2.634 29.186 -1.862 1.00 32.13 H new ATOM 0 HG2 ARG A 26 -5.523 29.792 -1.678 1.00 14.42 H new ATOM 0 HG3 ARG A 26 -4.782 29.389 -0.142 1.00 14.42 H new ATOM 0 HD2 ARG A 26 -3.032 31.102 -0.511 1.00 12.23 H new ATOM 0 HD3 ARG A 26 -3.711 31.479 -2.082 1.00 12.23 H new ATOM 0 HE ARG A 26 -4.636 32.453 0.473 1.00 53.14 H new ATOM 0 HH11 ARG A 26 -5.731 31.434 -2.722 1.00 44.20 H new ATOM 0 HH12 ARG A 26 -7.179 32.446 -2.677 1.00 44.20 H new ATOM 0 HH21 ARG A 26 -6.496 33.750 0.527 1.00 33.14 H new ATOM 0 HH22 ARG A 26 -7.611 33.752 -0.844 1.00 33.14 H new ATOM 410 N ARG A 27 -3.661 30.361 -4.732 1.00 50.31 N ATOM 411 CA ARG A 27 -2.915 31.182 -5.677 1.00 40.43 C ATOM 412 C ARG A 27 -1.591 31.640 -5.071 1.00 64.30 C ATOM 413 O ARG A 27 -1.569 32.361 -4.074 1.00 33.14 O ATOM 414 CB ARG A 27 -3.744 32.398 -6.095 1.00 5.30 C ATOM 415 CG ARG A 27 -2.987 33.375 -6.980 1.00 61.13 C ATOM 416 CD ARG A 27 -3.843 34.581 -7.337 1.00 24.42 C ATOM 417 NE ARG A 27 -3.065 35.632 -7.989 1.00 40.41 N ATOM 418 CZ ARG A 27 -3.596 36.755 -8.457 1.00 44.13 C ATOM 419 NH1 ARG A 27 -4.898 36.975 -8.345 1.00 21.21 N1+ ATOM 420 NH2 ARG A 27 -2.822 37.665 -9.036 1.00 21.32 N ATOM 0 H ARG A 27 -4.569 30.743 -4.466 1.00 50.31 H new ATOM 0 HA ARG A 27 -2.702 30.576 -6.558 1.00 40.43 H new ATOM 0 HB2 ARG A 27 -4.634 32.056 -6.624 1.00 5.30 H new ATOM 0 HB3 ARG A 27 -4.085 32.920 -5.201 1.00 5.30 H new ATOM 0 HG2 ARG A 27 -2.084 33.707 -6.468 1.00 61.13 H new ATOM 0 HG3 ARG A 27 -2.669 32.870 -7.892 1.00 61.13 H new ATOM 0 HD2 ARG A 27 -4.653 34.268 -7.996 1.00 24.42 H new ATOM 0 HD3 ARG A 27 -4.303 34.979 -6.433 1.00 24.42 H new ATOM 0 HE ARG A 27 -2.059 35.495 -8.090 1.00 40.41 H new ATOM 0 HH11 ARG A 27 -5.496 36.280 -7.898 1.00 21.21 H new ATOM 0 HH12 ARG A 27 -5.302 37.839 -8.706 1.00 21.21 H new ATOM 0 HH21 ARG A 27 -1.819 37.501 -9.121 1.00 21.32 H new ATOM 0 HH22 ARG A 27 -3.230 38.528 -9.395 1.00 21.32 H new ATOM 434 N CYS A 28 -0.488 31.215 -5.681 1.00 43.33 N ATOM 435 CA CYS A 28 0.839 31.580 -5.204 1.00 31.31 C ATOM 436 C CYS A 28 1.656 32.235 -6.313 1.00 63.13 C ATOM 437 O CYS A 28 1.276 32.200 -7.484 1.00 50.44 O ATOM 438 CB CYS A 28 1.572 30.344 -4.677 1.00 52.41 C ATOM 439 SG CYS A 28 1.655 28.967 -5.867 1.00 5.44 S ATOM 0 H CYS A 28 -0.489 30.617 -6.507 1.00 43.33 H new ATOM 0 HA CYS A 28 0.721 32.298 -4.393 1.00 31.31 H new ATOM 0 HB2 CYS A 28 2.586 30.628 -4.395 1.00 52.41 H new ATOM 0 HB3 CYS A 28 1.074 29.998 -3.771 1.00 52.41 H new ATOM 444 N THR A 29 2.783 32.832 -5.937 1.00 73.01 N ATOM 445 CA THR A 29 3.654 33.496 -6.899 1.00 32.12 C ATOM 446 C THR A 29 5.023 32.829 -6.952 1.00 33.55 C ATOM 447 O THR A 29 5.777 33.014 -7.907 1.00 51.13 O ATOM 448 CB THR A 29 3.835 34.988 -6.558 1.00 20.25 C ATOM 449 OG1 THR A 29 4.773 35.586 -7.459 1.00 30.25 O ATOM 450 CG2 THR A 29 4.318 35.160 -5.125 1.00 44.55 C ATOM 0 H THR A 29 3.114 32.869 -4.973 1.00 73.01 H new ATOM 0 HA THR A 29 3.173 33.410 -7.873 1.00 32.12 H new ATOM 0 HB THR A 29 2.869 35.482 -6.661 1.00 20.25 H new ATOM 0 HG1 THR A 29 5.263 34.883 -7.935 1.00 30.25 H new ATOM 0 HG21 THR A 29 4.439 36.221 -4.907 1.00 44.55 H new ATOM 0 HG22 THR A 29 3.587 34.730 -4.441 1.00 44.55 H new ATOM 0 HG23 THR A 29 5.275 34.653 -5.000 1.00 44.55 H new ATOM 458 N SER A 30 5.338 32.052 -5.920 1.00 63.54 N ATOM 459 CA SER A 30 6.620 31.360 -5.848 1.00 12.44 C ATOM 460 C SER A 30 6.454 29.973 -5.234 1.00 32.23 C ATOM 461 O SER A 30 5.687 29.789 -4.289 1.00 42.24 O ATOM 462 CB SER A 30 7.621 32.177 -5.029 1.00 1.42 C ATOM 463 OG SER A 30 7.284 33.553 -5.040 1.00 24.25 O ATOM 0 H SER A 30 4.724 31.886 -5.123 1.00 63.54 H new ATOM 0 HA SER A 30 7.001 31.246 -6.863 1.00 12.44 H new ATOM 0 HB2 SER A 30 7.640 31.812 -4.002 1.00 1.42 H new ATOM 0 HB3 SER A 30 8.624 32.041 -5.434 1.00 1.42 H new ATOM 0 HG SER A 30 7.937 34.054 -4.509 1.00 24.25 H new ATOM 469 N ALA A 31 7.178 29.001 -5.778 1.00 62.45 N ATOM 470 CA ALA A 31 7.114 27.631 -5.282 1.00 32.30 C ATOM 471 C ALA A 31 7.583 27.549 -3.834 1.00 10.12 C ATOM 472 O ALA A 31 7.044 26.776 -3.041 1.00 65.45 O ATOM 473 CB ALA A 31 7.948 26.712 -6.163 1.00 44.20 C ATOM 0 H ALA A 31 7.816 29.136 -6.562 1.00 62.45 H new ATOM 0 HA ALA A 31 6.074 27.305 -5.318 1.00 32.30 H new ATOM 0 HB1 ALA A 31 7.891 25.692 -5.782 1.00 44.20 H new ATOM 0 HB2 ALA A 31 7.565 26.740 -7.183 1.00 44.20 H new ATOM 0 HB3 ALA A 31 8.986 27.045 -6.156 1.00 44.20 H new ATOM 479 N ASP A 32 8.588 28.348 -3.496 1.00 12.20 N ATOM 480 CA ASP A 32 9.129 28.365 -2.142 1.00 73.45 C ATOM 481 C ASP A 32 8.025 28.606 -1.118 1.00 71.20 C ATOM 482 O ASP A 32 8.060 28.065 -0.013 1.00 64.22 O ATOM 483 CB ASP A 32 10.206 29.444 -2.014 1.00 74.03 C ATOM 484 CG ASP A 32 11.239 29.108 -0.956 1.00 11.45 C ATOM 485 OD1 ASP A 32 10.975 28.205 -0.135 1.00 52.31 O ATOM 486 OD2 ASP A 32 12.311 29.751 -0.949 1.00 51.42 O1- ATOM 0 H ASP A 32 9.045 28.993 -4.141 1.00 12.20 H new ATOM 0 HA ASP A 32 9.576 27.391 -1.944 1.00 73.45 H new ATOM 0 HB2 ASP A 32 10.703 29.573 -2.975 1.00 74.03 H new ATOM 0 HB3 ASP A 32 9.735 30.396 -1.769 1.00 74.03 H new ATOM 491 N GLN A 33 7.046 29.425 -1.494 1.00 13.05 N ATOM 492 CA GLN A 33 5.932 29.739 -0.606 1.00 61.53 C ATOM 493 C GLN A 33 5.005 28.538 -0.450 1.00 21.20 C ATOM 494 O GLN A 33 4.537 28.241 0.650 1.00 62.33 O ATOM 495 CB GLN A 33 5.148 30.937 -1.143 1.00 1.33 C ATOM 496 CG GLN A 33 6.023 32.129 -1.495 1.00 24.41 C ATOM 497 CD GLN A 33 5.340 33.455 -1.227 1.00 55.02 C ATOM 498 OE1 GLN A 33 5.289 33.922 -0.087 1.00 20.05 O ATOM 499 NE2 GLN A 33 4.809 34.072 -2.276 1.00 41.24 N ATOM 0 H GLN A 33 7.002 29.882 -2.405 1.00 13.05 H new ATOM 0 HA GLN A 33 6.340 29.989 0.373 1.00 61.53 H new ATOM 0 HB2 GLN A 33 4.593 30.630 -2.030 1.00 1.33 H new ATOM 0 HB3 GLN A 33 4.414 31.243 -0.398 1.00 1.33 H new ATOM 0 HG2 GLN A 33 6.948 32.078 -0.920 1.00 24.41 H new ATOM 0 HG3 GLN A 33 6.299 32.073 -2.548 1.00 24.41 H new ATOM 0 HE21 GLN A 33 4.874 33.650 -3.202 1.00 41.24 H new ATOM 0 HE22 GLN A 33 4.336 34.968 -2.155 1.00 41.24 H new ATOM 508 N CYS A 34 4.742 27.852 -1.557 1.00 20.44 N ATOM 509 CA CYS A 34 3.871 26.683 -1.544 1.00 42.12 C ATOM 510 C CYS A 34 4.308 25.689 -0.472 1.00 14.23 C ATOM 511 O CYS A 34 5.469 25.282 -0.424 1.00 24.15 O ATOM 512 CB CYS A 34 3.874 26.004 -2.915 1.00 20.31 C ATOM 513 SG CYS A 34 3.024 24.393 -2.948 1.00 43.23 S ATOM 0 H CYS A 34 5.120 28.086 -2.475 1.00 20.44 H new ATOM 0 HA CYS A 34 2.860 27.018 -1.313 1.00 42.12 H new ATOM 0 HB2 CYS A 34 3.400 26.668 -3.638 1.00 20.31 H new ATOM 0 HB3 CYS A 34 4.906 25.865 -3.238 1.00 20.31 H new ATOM 518 N CYS A 35 3.371 25.304 0.387 1.00 63.44 N ATOM 519 CA CYS A 35 3.658 24.358 1.459 1.00 62.12 C ATOM 520 C CYS A 35 4.347 23.111 0.915 1.00 75.41 C ATOM 521 O CYS A 35 3.965 22.586 -0.132 1.00 52.33 O ATOM 522 CB CYS A 35 2.368 23.969 2.182 1.00 15.41 C ATOM 523 SG CYS A 35 1.569 25.343 3.073 1.00 54.35 S ATOM 0 H CYS A 35 2.406 25.633 0.362 1.00 63.44 H new ATOM 0 HA CYS A 35 4.331 24.842 2.167 1.00 62.12 H new ATOM 0 HB2 CYS A 35 1.664 23.565 1.454 1.00 15.41 H new ATOM 0 HB3 CYS A 35 2.588 23.170 2.890 1.00 15.41 H new ATOM 528 N ARG A 36 5.362 22.641 1.632 1.00 74.42 N ATOM 529 CA ARG A 36 6.104 21.455 1.220 1.00 31.31 C ATOM 530 C ARG A 36 5.330 20.184 1.557 1.00 11.50 C ATOM 531 O ARG A 36 4.440 20.177 2.408 1.00 64.44 O ATOM 532 CB ARG A 36 7.476 21.425 1.897 1.00 74.21 C ATOM 533 CG ARG A 36 8.549 22.182 1.134 1.00 33.43 C ATOM 534 CD ARG A 36 8.575 23.652 1.520 1.00 52.41 C ATOM 535 NE ARG A 36 9.270 23.875 2.785 1.00 64.13 N ATOM 536 CZ ARG A 36 10.591 23.816 2.916 1.00 24.21 C ATOM 537 NH1 ARG A 36 11.354 23.545 1.867 1.00 61.22 N1+ ATOM 538 NH2 ARG A 36 11.151 24.031 4.101 1.00 13.25 N ATOM 0 H ARG A 36 5.690 23.063 2.501 1.00 74.42 H new ATOM 0 HA ARG A 36 6.240 21.500 0.140 1.00 31.31 H new ATOM 0 HB2 ARG A 36 7.387 21.848 2.898 1.00 74.21 H new ATOM 0 HB3 ARG A 36 7.790 20.388 2.016 1.00 74.21 H new ATOM 0 HG2 ARG A 36 9.523 21.735 1.334 1.00 33.43 H new ATOM 0 HG3 ARG A 36 8.369 22.089 0.063 1.00 33.43 H new ATOM 0 HD2 ARG A 36 9.064 24.225 0.732 1.00 52.41 H new ATOM 0 HD3 ARG A 36 7.553 24.024 1.597 1.00 52.41 H new ATOM 0 HE ARG A 36 8.712 24.087 3.612 1.00 64.13 H new ATOM 0 HH11 ARG A 36 10.928 23.381 0.955 1.00 61.22 H new ATOM 0 HH12 ARG A 36 12.368 23.501 1.972 1.00 61.22 H new ATOM 0 HH21 ARG A 36 10.567 24.241 4.910 1.00 13.25 H new ATOM 0 HH22 ARG A 36 12.165 23.986 4.202 1.00 13.25 H new ATOM 552 N PRO A 37 5.675 19.081 0.875 1.00 2.54 N ATOM 553 CA PRO A 37 5.024 17.785 1.085 1.00 73.11 C ATOM 554 C PRO A 37 5.371 17.175 2.439 1.00 25.00 C ATOM 555 O PRO A 37 6.481 17.347 2.942 1.00 22.30 O ATOM 556 CB PRO A 37 5.580 16.922 -0.049 1.00 11.35 C ATOM 557 CG PRO A 37 6.892 17.541 -0.389 1.00 4.20 C ATOM 558 CD PRO A 37 6.726 19.017 -0.153 1.00 42.10 C ATOM 0 HA PRO A 37 3.937 17.869 1.082 1.00 73.11 H new ATOM 0 HB2 PRO A 37 5.701 15.885 0.265 1.00 11.35 H new ATOM 0 HB3 PRO A 37 4.910 16.918 -0.909 1.00 11.35 H new ATOM 0 HG2 PRO A 37 7.689 17.133 0.233 1.00 4.20 H new ATOM 0 HG3 PRO A 37 7.162 17.339 -1.426 1.00 4.20 H new ATOM 0 HD2 PRO A 37 7.653 19.476 0.191 1.00 42.10 H new ATOM 0 HD3 PRO A 37 6.430 19.539 -1.063 1.00 42.10 H new ATOM 566 N TYR A 38 4.415 16.462 3.024 1.00 62.25 N ATOM 567 CA TYR A 38 4.619 15.828 4.321 1.00 14.44 C ATOM 568 C TYR A 38 5.865 14.946 4.306 1.00 34.42 C ATOM 569 O TYR A 38 6.519 14.758 5.331 1.00 11.41 O ATOM 570 CB TYR A 38 3.395 14.995 4.703 1.00 22.13 C ATOM 571 CG TYR A 38 3.587 14.181 5.962 1.00 14.52 C ATOM 572 CD1 TYR A 38 4.207 14.726 7.078 1.00 41.20 C ATOM 573 CD2 TYR A 38 3.144 12.865 6.037 1.00 30.11 C ATOM 574 CE1 TYR A 38 4.385 13.986 8.231 1.00 22.03 C ATOM 575 CE2 TYR A 38 3.315 12.117 7.186 1.00 14.55 C ATOM 576 CZ TYR A 38 3.938 12.683 8.280 1.00 53.42 C ATOM 577 OH TYR A 38 4.111 11.942 9.426 1.00 22.44 O ATOM 0 H TYR A 38 3.491 16.309 2.620 1.00 62.25 H new ATOM 0 HA TYR A 38 4.761 16.614 5.063 1.00 14.44 H new ATOM 0 HB2 TYR A 38 2.541 15.659 4.836 1.00 22.13 H new ATOM 0 HB3 TYR A 38 3.151 14.324 3.880 1.00 22.13 H new ATOM 0 HD1 TYR A 38 4.557 15.747 7.044 1.00 41.20 H new ATOM 0 HD2 TYR A 38 2.658 12.420 5.182 1.00 30.11 H new ATOM 0 HE1 TYR A 38 4.872 14.426 9.089 1.00 22.03 H new ATOM 0 HE2 TYR A 38 2.964 11.097 7.228 1.00 14.55 H new ATOM 0 HH TYR A 38 3.739 11.045 9.295 1.00 22.44 H new ATOM 587 N ASP A 39 6.186 14.408 3.134 1.00 32.30 N ATOM 588 CA ASP A 39 7.353 13.546 2.984 1.00 33.55 C ATOM 589 C ASP A 39 8.177 13.956 1.767 1.00 15.11 C ATOM 590 O ASP A 39 7.915 13.515 0.648 1.00 13.04 O ATOM 591 CB ASP A 39 6.921 12.084 2.853 1.00 24.25 C ATOM 592 CG ASP A 39 7.991 11.120 3.328 1.00 54.15 C ATOM 593 OD1 ASP A 39 8.558 11.354 4.415 1.00 23.30 O1- ATOM 594 OD2 ASP A 39 8.260 10.134 2.612 1.00 4.51 O ATOM 0 H ASP A 39 5.655 14.553 2.275 1.00 32.30 H new ATOM 0 HA ASP A 39 7.972 13.655 3.875 1.00 33.55 H new ATOM 0 HB2 ASP A 39 6.010 11.924 3.430 1.00 24.25 H new ATOM 0 HB3 ASP A 39 6.680 11.871 1.811 1.00 24.25 H new ATOM 599 N THR A 40 9.174 14.807 1.993 1.00 42.33 N ATOM 600 CA THR A 40 10.035 15.280 0.916 1.00 51.22 C ATOM 601 C THR A 40 10.735 14.116 0.222 1.00 5.24 C ATOM 602 O THR A 40 11.181 14.238 -0.919 1.00 55.42 O ATOM 603 CB THR A 40 11.097 16.265 1.437 1.00 52.44 C ATOM 604 OG1 THR A 40 11.554 15.854 2.731 1.00 3.03 O ATOM 605 CG2 THR A 40 10.533 17.676 1.516 1.00 32.04 C ATOM 0 H THR A 40 9.405 15.183 2.913 1.00 42.33 H new ATOM 0 HA THR A 40 9.393 15.795 0.201 1.00 51.22 H new ATOM 0 HB THR A 40 11.935 16.264 0.740 1.00 52.44 H new ATOM 0 HG1 THR A 40 12.231 16.485 3.055 1.00 3.03 H new ATOM 0 HG21 THR A 40 11.301 18.355 1.887 1.00 32.04 H new ATOM 0 HG22 THR A 40 10.214 17.996 0.524 1.00 32.04 H new ATOM 0 HG23 THR A 40 9.679 17.689 2.194 1.00 32.04 H new ATOM 613 N THR A 41 10.826 12.986 0.917 1.00 61.40 N ATOM 614 CA THR A 41 11.473 11.802 0.367 1.00 21.31 C ATOM 615 C THR A 41 10.513 11.014 -0.519 1.00 74.10 C ATOM 616 O THR A 41 10.917 10.074 -1.204 1.00 32.32 O ATOM 617 CB THR A 41 11.998 10.878 1.483 1.00 11.20 C ATOM 618 OG1 THR A 41 10.901 10.233 2.141 1.00 50.03 O ATOM 619 CG2 THR A 41 12.812 11.666 2.497 1.00 40.10 C ATOM 0 H THR A 41 10.460 12.866 1.861 1.00 61.40 H new ATOM 0 HA THR A 41 12.315 12.151 -0.231 1.00 21.31 H new ATOM 0 HB THR A 41 12.642 10.125 1.029 1.00 11.20 H new ATOM 0 HG1 THR A 41 10.078 10.740 1.979 1.00 50.03 H new ATOM 0 HG21 THR A 41 13.173 10.994 3.276 1.00 40.10 H new ATOM 0 HG22 THR A 41 13.662 12.132 1.998 1.00 40.10 H new ATOM 0 HG23 THR A 41 12.186 12.438 2.945 1.00 40.10 H new ATOM 627 N ALA A 42 9.244 11.403 -0.502 1.00 33.42 N ATOM 628 CA ALA A 42 8.228 10.735 -1.308 1.00 33.24 C ATOM 629 C ALA A 42 7.269 11.745 -1.929 1.00 22.22 C ATOM 630 O ALA A 42 6.117 11.424 -2.219 1.00 41.33 O ATOM 631 CB ALA A 42 7.463 9.731 -0.461 1.00 72.43 C ATOM 0 H ALA A 42 8.893 12.178 0.061 1.00 33.42 H new ATOM 0 HA ALA A 42 8.730 10.205 -2.118 1.00 33.24 H new ATOM 0 HB1 ALA A 42 6.708 9.239 -1.074 1.00 72.43 H new ATOM 0 HB2 ALA A 42 8.154 8.985 -0.068 1.00 72.43 H new ATOM 0 HB3 ALA A 42 6.978 10.248 0.367 1.00 72.43 H new ATOM 637 N ALA A 43 7.752 12.967 -2.131 1.00 12.24 N ATOM 638 CA ALA A 43 6.938 14.023 -2.719 1.00 72.33 C ATOM 639 C ALA A 43 7.745 15.302 -2.903 1.00 51.10 C ATOM 640 O ALA A 43 8.847 15.433 -2.370 1.00 33.12 O ATOM 641 CB ALA A 43 5.713 14.288 -1.855 1.00 43.44 C ATOM 0 H ALA A 43 8.703 13.250 -1.896 1.00 12.24 H new ATOM 0 HA ALA A 43 6.610 13.689 -3.703 1.00 72.33 H new ATOM 0 HB1 ALA A 43 5.114 15.079 -2.306 1.00 43.44 H new ATOM 0 HB2 ALA A 43 5.117 13.379 -1.781 1.00 43.44 H new ATOM 0 HB3 ALA A 43 6.030 14.596 -0.859 1.00 43.44 H new ATOM 647 N PHE A 44 7.192 16.244 -3.659 1.00 14.41 N ATOM 648 CA PHE A 44 7.862 17.513 -3.914 1.00 61.30 C ATOM 649 C PHE A 44 6.858 18.662 -3.949 1.00 33.54 C ATOM 650 O PHE A 44 5.653 18.444 -4.081 1.00 25.14 O ATOM 651 CB PHE A 44 8.631 17.452 -5.236 1.00 4.30 C ATOM 652 CG PHE A 44 7.786 17.019 -6.400 1.00 44.33 C ATOM 653 CD1 PHE A 44 7.582 15.674 -6.664 1.00 14.45 C ATOM 654 CD2 PHE A 44 7.195 17.957 -7.232 1.00 25.23 C ATOM 655 CE1 PHE A 44 6.807 15.273 -7.734 1.00 52.44 C ATOM 656 CE2 PHE A 44 6.418 17.563 -8.305 1.00 31.10 C ATOM 657 CZ PHE A 44 6.223 16.218 -8.556 1.00 44.43 C ATOM 0 H PHE A 44 6.280 16.152 -4.106 1.00 14.41 H new ATOM 0 HA PHE A 44 8.565 17.693 -3.101 1.00 61.30 H new ATOM 0 HB2 PHE A 44 9.052 18.435 -5.448 1.00 4.30 H new ATOM 0 HB3 PHE A 44 9.469 16.763 -5.129 1.00 4.30 H new ATOM 0 HD1 PHE A 44 8.035 14.930 -6.025 1.00 14.45 H new ATOM 0 HD2 PHE A 44 7.344 19.009 -7.039 1.00 25.23 H new ATOM 0 HE1 PHE A 44 6.657 14.221 -7.928 1.00 52.44 H new ATOM 0 HE2 PHE A 44 5.964 18.305 -8.946 1.00 31.10 H new ATOM 0 HZ PHE A 44 5.616 15.906 -9.393 1.00 44.43 H new ATOM 667 N HIS A 45 7.364 19.886 -3.829 1.00 30.01 N ATOM 668 CA HIS A 45 6.511 21.069 -3.846 1.00 13.52 C ATOM 669 C HIS A 45 6.736 21.882 -5.119 1.00 32.25 C ATOM 670 O HIS A 45 7.679 21.631 -5.868 1.00 34.05 O ATOM 671 CB HIS A 45 6.784 21.939 -2.618 1.00 41.02 C ATOM 672 CG HIS A 45 8.028 22.765 -2.733 1.00 44.22 C ATOM 673 ND1 HIS A 45 9.257 22.344 -2.272 1.00 74.21 N ATOM 674 CD2 HIS A 45 8.227 23.994 -3.264 1.00 33.33 C ATOM 675 CE1 HIS A 45 10.158 23.279 -2.511 1.00 71.35 C ATOM 676 NE2 HIS A 45 9.560 24.291 -3.112 1.00 4.31 N ATOM 0 H HIS A 45 8.359 20.084 -3.719 1.00 30.01 H new ATOM 0 HA HIS A 45 5.473 20.738 -3.824 1.00 13.52 H new ATOM 0 HB2 HIS A 45 5.933 22.600 -2.455 1.00 41.02 H new ATOM 0 HB3 HIS A 45 6.863 21.298 -1.740 1.00 41.02 H new ATOM 0 HD2 HIS A 45 7.478 24.623 -3.722 1.00 33.33 H new ATOM 0 HE1 HIS A 45 11.207 23.225 -2.258 1.00 71.35 H new ATOM 0 HE2 HIS A 45 10.014 25.153 -3.414 1.00 4.31 H new ATOM 684 N GLY A 46 5.862 22.854 -5.356 1.00 15.53 N ATOM 685 CA GLY A 46 5.983 23.688 -6.538 1.00 51.15 C ATOM 686 C GLY A 46 4.708 24.452 -6.842 1.00 30.33 C ATOM 687 O GLY A 46 3.626 24.072 -6.392 1.00 1.11 O ATOM 0 H GLY A 46 5.072 23.079 -4.751 1.00 15.53 H new ATOM 0 HA2 GLY A 46 6.802 24.394 -6.398 1.00 51.15 H new ATOM 0 HA3 GLY A 46 6.242 23.065 -7.394 1.00 51.15 H new ATOM 691 N CYS A 47 4.837 25.534 -7.602 1.00 73.31 N ATOM 692 CA CYS A 47 3.688 26.354 -7.963 1.00 12.40 C ATOM 693 C CYS A 47 3.370 26.224 -9.451 1.00 61.22 C ATOM 694 O CYS A 47 4.215 26.497 -10.303 1.00 61.52 O ATOM 695 CB CYS A 47 3.952 27.821 -7.614 1.00 0.44 C ATOM 696 SG CYS A 47 3.524 28.266 -5.902 1.00 52.01 S ATOM 0 H CYS A 47 5.726 25.863 -7.980 1.00 73.31 H new ATOM 0 HA CYS A 47 2.829 26.000 -7.394 1.00 12.40 H new ATOM 0 HB2 CYS A 47 5.007 28.039 -7.782 1.00 0.44 H new ATOM 0 HB3 CYS A 47 3.383 28.454 -8.296 1.00 0.44 H new ATOM 701 N GLY A 48 2.146 25.805 -9.755 1.00 51.40 N ATOM 702 CA GLY A 48 1.739 25.645 -11.138 1.00 22.12 C ATOM 703 C GLY A 48 0.325 25.115 -11.269 1.00 74.05 C ATOM 704 O GLY A 48 -0.505 25.317 -10.383 1.00 74.34 O ATOM 0 H GLY A 48 1.429 25.573 -9.068 1.00 51.40 H new ATOM 0 HA2 GLY A 48 1.812 26.605 -11.648 1.00 22.12 H new ATOM 0 HA3 GLY A 48 2.427 24.964 -11.639 1.00 22.12 H new ATOM 708 N ARG A 49 0.050 24.435 -12.378 1.00 34.44 N ATOM 709 CA ARG A 49 -1.274 23.877 -12.623 1.00 43.42 C ATOM 710 C ARG A 49 -1.180 22.402 -13.003 1.00 72.42 C ATOM 711 O ARG A 49 -0.559 22.048 -14.005 1.00 32.25 O ATOM 712 CB ARG A 49 -1.983 24.657 -13.732 1.00 63.11 C ATOM 713 CG ARG A 49 -1.839 26.164 -13.604 1.00 51.12 C ATOM 714 CD ARG A 49 -1.100 26.756 -14.794 1.00 22.53 C ATOM 715 NE ARG A 49 -1.175 28.215 -14.814 1.00 64.14 N ATOM 716 CZ ARG A 49 -0.372 29.001 -14.106 1.00 64.40 C ATOM 717 NH1 ARG A 49 0.562 28.473 -13.328 1.00 71.52 N1+ ATOM 718 NH2 ARG A 49 -0.502 30.320 -14.179 1.00 63.11 N ATOM 0 H ARG A 49 0.727 24.258 -13.120 1.00 34.44 H new ATOM 0 HA ARG A 49 -1.852 23.961 -11.703 1.00 43.42 H new ATOM 0 HB2 ARG A 49 -1.585 24.343 -14.697 1.00 63.11 H new ATOM 0 HB3 ARG A 49 -3.042 24.400 -13.725 1.00 63.11 H new ATOM 0 HG2 ARG A 49 -2.826 26.619 -13.524 1.00 51.12 H new ATOM 0 HG3 ARG A 49 -1.302 26.403 -12.686 1.00 51.12 H new ATOM 0 HD2 ARG A 49 -0.055 26.447 -14.762 1.00 22.53 H new ATOM 0 HD3 ARG A 49 -1.522 26.359 -15.717 1.00 22.53 H new ATOM 0 HE ARG A 49 -1.882 28.654 -15.404 1.00 64.14 H new ATOM 0 HH11 ARG A 49 0.666 27.460 -13.272 1.00 71.52 H new ATOM 0 HH12 ARG A 49 1.177 29.080 -12.786 1.00 71.52 H new ATOM 0 HH21 ARG A 49 -1.218 30.729 -14.779 1.00 63.11 H new ATOM 0 HH22 ARG A 49 0.114 30.924 -13.635 1.00 63.11 H new ATOM 732 N ILE A 50 -1.800 21.548 -12.197 1.00 45.20 N ATOM 733 CA ILE A 50 -1.787 20.112 -12.449 1.00 24.22 C ATOM 734 C ILE A 50 -3.135 19.634 -12.978 1.00 32.02 C ATOM 735 O ILE A 50 -3.237 18.557 -13.564 1.00 4.22 O ATOM 736 CB ILE A 50 -1.437 19.320 -11.175 1.00 43.24 C ATOM 737 CG1 ILE A 50 -2.555 19.459 -10.140 1.00 33.24 C ATOM 738 CG2 ILE A 50 -0.113 19.798 -10.600 1.00 11.30 C ATOM 739 CD1 ILE A 50 -2.288 18.703 -8.857 1.00 33.13 C ATOM 0 H ILE A 50 -2.318 21.825 -11.363 1.00 45.20 H new ATOM 0 HA ILE A 50 -1.020 19.931 -13.202 1.00 24.22 H new ATOM 0 HB ILE A 50 -1.337 18.266 -11.436 1.00 43.24 H new ATOM 0 HG12 ILE A 50 -2.695 20.515 -9.908 1.00 33.24 H new ATOM 0 HG13 ILE A 50 -3.488 19.102 -10.575 1.00 33.24 H new ATOM 0 HG21 ILE A 50 0.120 19.228 -9.700 1.00 11.30 H new ATOM 0 HG22 ILE A 50 0.677 19.652 -11.336 1.00 11.30 H new ATOM 0 HG23 ILE A 50 -0.186 20.857 -10.351 1.00 11.30 H new ATOM 0 HD11 ILE A 50 -3.122 18.847 -8.170 1.00 33.13 H new ATOM 0 HD12 ILE A 50 -2.178 17.641 -9.077 1.00 33.13 H new ATOM 0 HD13 ILE A 50 -1.372 19.076 -8.399 1.00 33.13 H new ATOM 751 N TRP A 51 -4.166 20.444 -12.770 1.00 65.10 N ATOM 752 CA TRP A 51 -5.509 20.105 -13.227 1.00 64.31 C ATOM 753 C TRP A 51 -5.951 21.032 -14.353 1.00 21.13 C ATOM 754 O TRP A 51 -5.469 22.158 -14.488 1.00 63.40 O ATOM 755 CB TRP A 51 -6.501 20.183 -12.067 1.00 25.32 C ATOM 756 CG TRP A 51 -6.293 19.116 -11.036 1.00 35.44 C ATOM 757 CD1 TRP A 51 -5.926 19.295 -9.733 1.00 65.11 C ATOM 758 CD2 TRP A 51 -6.440 17.704 -11.221 1.00 50.02 C ATOM 759 NE1 TRP A 51 -5.834 18.081 -9.098 1.00 72.11 N ATOM 760 CE2 TRP A 51 -6.147 17.088 -9.989 1.00 35.13 C ATOM 761 CE3 TRP A 51 -6.793 16.900 -12.308 1.00 1.24 C ATOM 762 CZ2 TRP A 51 -6.194 15.707 -9.818 1.00 0.23 C ATOM 763 CZ3 TRP A 51 -6.840 15.530 -12.137 1.00 32.24 C ATOM 764 CH2 TRP A 51 -6.543 14.945 -10.899 1.00 32.35 C ATOM 0 H TRP A 51 -4.098 21.340 -12.288 1.00 65.10 H new ATOM 0 HA TRP A 51 -5.488 19.084 -13.609 1.00 64.31 H new ATOM 0 HB2 TRP A 51 -6.416 21.160 -11.591 1.00 25.32 H new ATOM 0 HB3 TRP A 51 -7.515 20.106 -12.460 1.00 25.32 H new ATOM 0 HD1 TRP A 51 -5.736 20.252 -9.270 1.00 65.11 H new ATOM 0 HE1 TRP A 51 -5.575 17.941 -8.121 1.00 72.11 H new ATOM 0 HE3 TRP A 51 -7.025 17.342 -13.266 1.00 1.24 H new ATOM 0 HZ2 TRP A 51 -5.963 15.253 -8.865 1.00 0.23 H new ATOM 0 HZ3 TRP A 51 -7.110 14.900 -12.971 1.00 32.24 H new ATOM 0 HH2 TRP A 51 -6.591 13.871 -10.796 1.00 32.35 H new ATOM 775 N PRO A 52 -6.889 20.554 -15.183 1.00 33.22 N ATOM 776 CA PRO A 52 -7.417 21.326 -16.312 1.00 11.42 C ATOM 777 C PRO A 52 -8.277 22.501 -15.859 1.00 61.34 C ATOM 778 O PRO A 52 -8.325 23.540 -16.518 1.00 42.35 O ATOM 779 CB PRO A 52 -8.265 20.305 -17.074 1.00 73.34 C ATOM 780 CG PRO A 52 -8.657 19.297 -16.050 1.00 72.40 C ATOM 781 CD PRO A 52 -7.509 19.222 -15.082 1.00 33.43 C ATOM 0 HA PRO A 52 -6.621 21.770 -16.910 1.00 11.42 H new ATOM 0 HB2 PRO A 52 -9.141 20.774 -17.523 1.00 73.34 H new ATOM 0 HB3 PRO A 52 -7.699 19.846 -17.884 1.00 73.34 H new ATOM 0 HG2 PRO A 52 -9.576 19.592 -15.543 1.00 72.40 H new ATOM 0 HG3 PRO A 52 -8.844 18.326 -16.509 1.00 72.40 H new ATOM 0 HD2 PRO A 52 -7.851 19.014 -14.068 1.00 33.43 H new ATOM 0 HD3 PRO A 52 -6.808 18.431 -15.350 1.00 33.43 H new ATOM 789 N LYS A 53 -8.957 22.330 -14.729 1.00 42.35 N ATOM 790 CA LYS A 53 -9.814 23.377 -14.187 1.00 54.32 C ATOM 791 C LYS A 53 -9.021 24.655 -13.936 1.00 33.53 C ATOM 792 O LYS A 53 -9.534 25.760 -14.111 1.00 74.30 O ATOM 793 CB LYS A 53 -10.467 22.906 -12.885 1.00 22.44 C ATOM 794 CG LYS A 53 -11.748 22.119 -13.098 1.00 55.12 C ATOM 795 CD LYS A 53 -12.668 22.214 -11.891 1.00 65.22 C ATOM 796 CE LYS A 53 -13.235 23.615 -11.732 1.00 22.10 C ATOM 797 NZ LYS A 53 -14.377 23.646 -10.776 1.00 32.33 N1+ ATOM 0 H LYS A 53 -8.931 21.476 -14.172 1.00 42.35 H new ATOM 0 HA LYS A 53 -10.591 23.591 -14.921 1.00 54.32 H new ATOM 0 HB2 LYS A 53 -9.757 22.287 -12.335 1.00 22.44 H new ATOM 0 HB3 LYS A 53 -10.683 23.774 -12.262 1.00 22.44 H new ATOM 0 HG2 LYS A 53 -12.265 22.495 -13.981 1.00 55.12 H new ATOM 0 HG3 LYS A 53 -11.506 21.074 -13.291 1.00 55.12 H new ATOM 0 HD2 LYS A 53 -13.485 21.500 -11.997 1.00 65.22 H new ATOM 0 HD3 LYS A 53 -12.119 21.938 -10.991 1.00 65.22 H new ATOM 0 HE2 LYS A 53 -12.451 24.287 -11.383 1.00 22.10 H new ATOM 0 HE3 LYS A 53 -13.564 23.986 -12.703 1.00 22.10 H new ATOM 0 HZ1 LYS A 53 -14.736 24.619 -10.695 1.00 32.33 H new ATOM 0 HZ2 LYS A 53 -15.136 23.025 -11.122 1.00 32.33 H new ATOM 0 HZ3 LYS A 53 -14.058 23.316 -9.843 1.00 32.33 H new ATOM 811 N ASP A 54 -7.767 24.497 -13.525 1.00 52.15 N ATOM 812 CA ASP A 54 -6.902 25.639 -13.253 1.00 1.22 C ATOM 813 C ASP A 54 -6.483 26.325 -14.550 1.00 22.44 C ATOM 814 O ASP A 54 -6.296 27.541 -14.590 1.00 3.21 O ATOM 815 CB ASP A 54 -5.663 25.193 -12.475 1.00 23.13 C ATOM 816 CG ASP A 54 -5.291 26.166 -11.372 1.00 24.34 C ATOM 817 OD1 ASP A 54 -6.210 26.751 -10.763 1.00 70.21 O1- ATOM 818 OD2 ASP A 54 -4.080 26.343 -11.122 1.00 52.31 O ATOM 0 H ASP A 54 -7.327 23.589 -13.373 1.00 52.15 H new ATOM 0 HA ASP A 54 -7.463 26.353 -12.650 1.00 1.22 H new ATOM 0 HB2 ASP A 54 -5.844 24.209 -12.042 1.00 23.13 H new ATOM 0 HB3 ASP A 54 -4.824 25.089 -13.163 1.00 23.13 H new ATOM 823 N LYS A 55 -6.338 25.537 -15.609 1.00 0.11 N ATOM 824 CA LYS A 55 -5.941 26.066 -16.909 1.00 71.30 C ATOM 825 C LYS A 55 -6.954 27.092 -17.409 1.00 30.04 C ATOM 826 O LYS A 55 -6.588 28.070 -18.062 1.00 33.44 O ATOM 827 CB LYS A 55 -5.805 24.931 -17.926 1.00 4.34 C ATOM 828 CG LYS A 55 -4.402 24.782 -18.486 1.00 61.13 C ATOM 829 CD LYS A 55 -3.508 23.988 -17.547 1.00 32.24 C ATOM 830 CE LYS A 55 -2.036 24.265 -17.812 1.00 73.20 C ATOM 831 NZ LYS A 55 -1.685 24.080 -19.247 1.00 23.02 N1+ ATOM 0 H LYS A 55 -6.490 24.528 -15.593 1.00 0.11 H new ATOM 0 HA LYS A 55 -4.975 26.559 -16.794 1.00 71.30 H new ATOM 0 HB2 LYS A 55 -6.100 23.994 -17.454 1.00 4.34 H new ATOM 0 HB3 LYS A 55 -6.499 25.106 -18.748 1.00 4.34 H new ATOM 0 HG2 LYS A 55 -4.447 24.284 -19.455 1.00 61.13 H new ATOM 0 HG3 LYS A 55 -3.970 25.768 -18.654 1.00 61.13 H new ATOM 0 HD2 LYS A 55 -3.747 24.242 -16.514 1.00 32.24 H new ATOM 0 HD3 LYS A 55 -3.706 22.923 -17.668 1.00 32.24 H new ATOM 0 HE2 LYS A 55 -1.798 25.285 -17.509 1.00 73.20 H new ATOM 0 HE3 LYS A 55 -1.426 23.600 -17.201 1.00 73.20 H new ATOM 0 HZ1 LYS A 55 -0.651 24.094 -19.356 1.00 23.02 H new ATOM 0 HZ2 LYS A 55 -2.056 23.167 -19.580 1.00 23.02 H new ATOM 0 HZ3 LYS A 55 -2.103 24.849 -19.809 1.00 23.02 H new ATOM 845 N ARG A 56 -8.225 26.863 -17.099 1.00 42.23 N ATOM 846 CA ARG A 56 -9.288 27.768 -17.517 1.00 60.15 C ATOM 847 C ARG A 56 -9.075 29.163 -16.937 1.00 33.12 C ATOM 848 O ARG A 56 -9.575 30.152 -17.474 1.00 23.12 O ATOM 849 CB ARG A 56 -10.651 27.226 -17.080 1.00 63.23 C ATOM 850 CG ARG A 56 -10.899 25.788 -17.506 1.00 4.43 C ATOM 851 CD ARG A 56 -12.283 25.617 -18.109 1.00 71.40 C ATOM 852 NE ARG A 56 -13.314 25.475 -17.086 1.00 11.52 N ATOM 853 CZ ARG A 56 -14.605 25.317 -17.358 1.00 41.21 C ATOM 854 NH1 ARG A 56 -15.019 25.280 -18.617 1.00 51.32 N1+ ATOM 855 NH2 ARG A 56 -15.483 25.194 -16.371 1.00 63.40 N ATOM 0 H ARG A 56 -8.544 26.058 -16.560 1.00 42.23 H new ATOM 0 HA ARG A 56 -9.263 27.837 -18.605 1.00 60.15 H new ATOM 0 HB2 ARG A 56 -10.728 27.293 -15.995 1.00 63.23 H new ATOM 0 HB3 ARG A 56 -11.435 27.860 -17.495 1.00 63.23 H new ATOM 0 HG2 ARG A 56 -10.145 25.487 -18.233 1.00 4.43 H new ATOM 0 HG3 ARG A 56 -10.792 25.129 -16.645 1.00 4.43 H new ATOM 0 HD2 ARG A 56 -12.513 26.477 -18.738 1.00 71.40 H new ATOM 0 HD3 ARG A 56 -12.291 24.739 -18.755 1.00 71.40 H new ATOM 0 HE ARG A 56 -13.028 25.498 -16.107 1.00 11.52 H new ATOM 0 HH11 ARG A 56 -14.346 25.373 -19.378 1.00 51.32 H new ATOM 0 HH12 ARG A 56 -16.010 25.159 -18.825 1.00 51.32 H new ATOM 0 HH21 ARG A 56 -15.167 25.221 -15.401 1.00 63.40 H new ATOM 0 HH22 ARG A 56 -16.474 25.073 -16.582 1.00 63.40 H new ATOM 869 N GLU A 57 -8.330 29.235 -15.840 1.00 1.14 N ATOM 870 CA GLU A 57 -8.052 30.509 -15.187 1.00 73.50 C ATOM 871 C GLU A 57 -6.604 30.932 -15.416 1.00 75.12 C ATOM 872 O GLU A 57 -6.265 32.112 -15.311 1.00 65.11 O ATOM 873 CB GLU A 57 -8.335 30.412 -13.686 1.00 24.12 C ATOM 874 CG GLU A 57 -9.807 30.220 -13.356 1.00 62.23 C ATOM 875 CD GLU A 57 -10.082 30.278 -11.866 1.00 4.11 C ATOM 876 OE1 GLU A 57 -9.576 31.209 -11.205 1.00 2.34 O ATOM 877 OE2 GLU A 57 -10.803 29.392 -11.362 1.00 34.10 O1- ATOM 0 H GLU A 57 -7.908 28.426 -15.384 1.00 1.14 H new ATOM 0 HA GLU A 57 -8.707 31.263 -15.624 1.00 73.50 H new ATOM 0 HB2 GLU A 57 -7.766 29.580 -13.270 1.00 24.12 H new ATOM 0 HB3 GLU A 57 -7.977 31.318 -13.198 1.00 24.12 H new ATOM 0 HG2 GLU A 57 -10.392 30.989 -13.860 1.00 62.23 H new ATOM 0 HG3 GLU A 57 -10.141 29.259 -13.746 1.00 62.23 H new ATOM 884 N LYS A 58 -5.752 29.963 -15.729 1.00 50.53 N ATOM 885 CA LYS A 58 -4.339 30.232 -15.972 1.00 42.02 C ATOM 886 C LYS A 58 -3.706 30.938 -14.778 1.00 73.23 C ATOM 887 O LYS A 58 -3.028 31.954 -14.934 1.00 73.04 O ATOM 888 CB LYS A 58 -4.173 31.086 -17.232 1.00 61.50 C ATOM 889 CG LYS A 58 -4.551 30.363 -18.512 1.00 44.31 C ATOM 890 CD LYS A 58 -3.730 29.100 -18.702 1.00 22.35 C ATOM 891 CE LYS A 58 -3.283 28.936 -20.147 1.00 42.41 C ATOM 892 NZ LYS A 58 -1.957 28.264 -20.245 1.00 3.31 N1+ ATOM 0 H LYS A 58 -6.015 28.982 -15.821 1.00 50.53 H new ATOM 0 HA LYS A 58 -3.831 29.278 -16.117 1.00 42.02 H new ATOM 0 HB2 LYS A 58 -4.786 31.982 -17.136 1.00 61.50 H new ATOM 0 HB3 LYS A 58 -3.136 31.415 -17.303 1.00 61.50 H new ATOM 0 HG2 LYS A 58 -5.611 30.109 -18.488 1.00 44.31 H new ATOM 0 HG3 LYS A 58 -4.401 31.027 -19.364 1.00 44.31 H new ATOM 0 HD2 LYS A 58 -2.856 29.132 -18.051 1.00 22.35 H new ATOM 0 HD3 LYS A 58 -4.319 28.233 -18.402 1.00 22.35 H new ATOM 0 HE2 LYS A 58 -4.026 28.355 -20.693 1.00 42.41 H new ATOM 0 HE3 LYS A 58 -3.230 29.915 -20.624 1.00 42.41 H new ATOM 0 HZ1 LYS A 58 -1.688 28.171 -21.245 1.00 3.31 H new ATOM 0 HZ2 LYS A 58 -1.243 28.831 -19.746 1.00 3.31 H new ATOM 0 HZ3 LYS A 58 -2.013 27.320 -19.813 1.00 3.31 H new ATOM 906 N VAL A 59 -3.930 30.394 -13.587 1.00 2.35 N ATOM 907 CA VAL A 59 -3.379 30.970 -12.367 1.00 3.13 C ATOM 908 C VAL A 59 -2.490 29.968 -11.639 1.00 32.04 C ATOM 909 O VAL A 59 -2.824 28.788 -11.534 1.00 24.43 O ATOM 910 CB VAL A 59 -4.494 31.438 -11.413 1.00 0.14 C ATOM 911 CG1 VAL A 59 -5.429 30.285 -11.079 1.00 75.04 C ATOM 912 CG2 VAL A 59 -3.897 32.035 -10.148 1.00 61.33 C ATOM 0 H VAL A 59 -4.490 29.554 -13.441 1.00 2.35 H new ATOM 0 HA VAL A 59 -2.782 31.832 -12.666 1.00 3.13 H new ATOM 0 HB VAL A 59 -5.075 32.213 -11.913 1.00 0.14 H new ATOM 0 HG11 VAL A 59 -6.210 30.634 -10.404 1.00 75.04 H new ATOM 0 HG12 VAL A 59 -5.883 29.908 -11.995 1.00 75.04 H new ATOM 0 HG13 VAL A 59 -4.864 29.486 -10.598 1.00 75.04 H new ATOM 0 HG21 VAL A 59 -4.699 32.360 -9.486 1.00 61.33 H new ATOM 0 HG22 VAL A 59 -3.291 31.284 -9.642 1.00 61.33 H new ATOM 0 HG23 VAL A 59 -3.273 32.890 -10.409 1.00 61.33 H new ATOM 922 N ASP A 60 -1.357 30.448 -11.137 1.00 14.15 N ATOM 923 CA ASP A 60 -0.418 29.595 -10.417 1.00 22.51 C ATOM 924 C ASP A 60 -0.953 29.250 -9.030 1.00 13.20 C ATOM 925 O ASP A 60 -1.183 30.135 -8.205 1.00 44.21 O ATOM 926 CB ASP A 60 0.942 30.283 -10.297 1.00 60.44 C ATOM 927 CG ASP A 60 1.267 31.137 -11.507 1.00 44.41 C ATOM 928 OD1 ASP A 60 0.695 32.243 -11.624 1.00 45.21 O ATOM 929 OD2 ASP A 60 2.092 30.702 -12.336 1.00 43.53 O1- ATOM 0 H ASP A 60 -1.067 31.423 -11.215 1.00 14.15 H new ATOM 0 HA ASP A 60 -0.298 28.670 -10.982 1.00 22.51 H new ATOM 0 HB2 ASP A 60 0.953 30.906 -9.403 1.00 60.44 H new ATOM 0 HB3 ASP A 60 1.718 29.528 -10.170 1.00 60.44 H new ATOM 934 N ARG A 61 -1.146 27.960 -8.780 1.00 3.03 N ATOM 935 CA ARG A 61 -1.655 27.498 -7.493 1.00 14.00 C ATOM 936 C ARG A 61 -0.727 26.451 -6.885 1.00 1.23 C ATOM 937 O ARG A 61 -0.150 25.629 -7.597 1.00 63.34 O ATOM 938 CB ARG A 61 -3.060 26.917 -7.655 1.00 5.22 C ATOM 939 CG ARG A 61 -4.046 27.877 -8.301 1.00 53.15 C ATOM 940 CD ARG A 61 -4.966 28.510 -7.270 1.00 54.13 C ATOM 941 NE ARG A 61 -6.158 27.700 -7.028 1.00 11.11 N ATOM 942 CZ ARG A 61 -7.233 27.724 -7.806 1.00 44.10 C ATOM 943 NH1 ARG A 61 -7.268 28.514 -8.871 1.00 75.50 N1+ ATOM 944 NH2 ARG A 61 -8.277 26.957 -7.521 1.00 12.20 N ATOM 0 H ARG A 61 -0.958 27.215 -9.451 1.00 3.03 H new ATOM 0 HA ARG A 61 -1.699 28.354 -6.820 1.00 14.00 H new ATOM 0 HB2 ARG A 61 -3.002 26.010 -8.257 1.00 5.22 H new ATOM 0 HB3 ARG A 61 -3.439 26.626 -6.675 1.00 5.22 H new ATOM 0 HG2 ARG A 61 -3.501 28.658 -8.831 1.00 53.15 H new ATOM 0 HG3 ARG A 61 -4.641 27.344 -9.043 1.00 53.15 H new ATOM 0 HD2 ARG A 61 -4.423 28.645 -6.334 1.00 54.13 H new ATOM 0 HD3 ARG A 61 -5.265 29.501 -7.611 1.00 54.13 H new ATOM 0 HE ARG A 61 -6.164 27.082 -6.216 1.00 11.11 H new ATOM 0 HH11 ARG A 61 -6.467 29.105 -9.094 1.00 75.50 H new ATOM 0 HH12 ARG A 61 -8.096 28.530 -9.467 1.00 75.50 H new ATOM 0 HH21 ARG A 61 -8.254 26.348 -6.703 1.00 12.20 H new ATOM 0 HH22 ARG A 61 -9.103 26.976 -8.120 1.00 12.20 H new ATOM 958 N CYS A 62 -0.586 26.487 -5.564 1.00 42.04 N ATOM 959 CA CYS A 62 0.272 25.543 -4.860 1.00 0.35 C ATOM 960 C CYS A 62 -0.230 24.113 -5.041 1.00 41.03 C ATOM 961 O CYS A 62 -1.411 23.829 -4.844 1.00 41.35 O ATOM 962 CB CYS A 62 0.332 25.890 -3.370 1.00 62.15 C ATOM 963 SG CYS A 62 1.148 24.624 -2.345 1.00 73.51 S ATOM 0 H CYS A 62 -1.056 27.161 -4.959 1.00 42.04 H new ATOM 0 HA CYS A 62 1.274 25.614 -5.284 1.00 0.35 H new ATOM 0 HB2 CYS A 62 0.860 26.836 -3.249 1.00 62.15 H new ATOM 0 HB3 CYS A 62 -0.683 26.042 -3.002 1.00 62.15 H new ATOM 968 N TYR A 63 0.677 23.218 -5.416 1.00 45.52 N ATOM 969 CA TYR A 63 0.327 21.819 -5.626 1.00 14.20 C ATOM 970 C TYR A 63 1.371 20.897 -5.002 1.00 21.05 C ATOM 971 O TYR A 63 2.519 21.291 -4.796 1.00 3.33 O ATOM 972 CB TYR A 63 0.196 21.522 -7.120 1.00 45.41 C ATOM 973 CG TYR A 63 1.524 21.452 -7.842 1.00 52.45 C ATOM 974 CD1 TYR A 63 2.111 22.595 -8.369 1.00 72.13 C ATOM 975 CD2 TYR A 63 2.190 20.242 -7.995 1.00 1.01 C ATOM 976 CE1 TYR A 63 3.322 22.536 -9.031 1.00 13.22 C ATOM 977 CE2 TYR A 63 3.404 20.174 -8.653 1.00 53.34 C ATOM 978 CZ TYR A 63 3.965 21.323 -9.169 1.00 70.24 C ATOM 979 OH TYR A 63 5.173 21.259 -9.826 1.00 43.32 O ATOM 0 H TYR A 63 1.660 23.437 -5.581 1.00 45.52 H new ATOM 0 HA TYR A 63 -0.632 21.634 -5.141 1.00 14.20 H new ATOM 0 HB2 TYR A 63 -0.329 20.575 -7.249 1.00 45.41 H new ATOM 0 HB3 TYR A 63 -0.420 22.293 -7.583 1.00 45.41 H new ATOM 0 HD1 TYR A 63 1.612 23.547 -8.259 1.00 72.13 H new ATOM 0 HD2 TYR A 63 1.752 19.340 -7.593 1.00 1.01 H new ATOM 0 HE1 TYR A 63 3.763 23.434 -9.438 1.00 13.22 H new ATOM 0 HE2 TYR A 63 3.910 19.226 -8.762 1.00 53.34 H new ATOM 0 HH TYR A 63 5.492 20.332 -9.835 1.00 43.32 H new ATOM 989 N ILE A 64 0.964 19.668 -4.706 1.00 55.33 N ATOM 990 CA ILE A 64 1.863 18.689 -4.108 1.00 5.43 C ATOM 991 C ILE A 64 1.577 17.286 -4.633 1.00 12.54 C ATOM 992 O ILE A 64 0.449 16.799 -4.555 1.00 4.15 O ATOM 993 CB ILE A 64 1.747 18.682 -2.571 1.00 2.33 C ATOM 994 CG1 ILE A 64 2.106 20.057 -2.005 1.00 75.43 C ATOM 995 CG2 ILE A 64 2.645 17.607 -1.977 1.00 44.01 C ATOM 996 CD1 ILE A 64 1.906 20.166 -0.509 1.00 11.12 C ATOM 0 H ILE A 64 0.017 19.326 -4.870 1.00 55.33 H new ATOM 0 HA ILE A 64 2.876 18.980 -4.387 1.00 5.43 H new ATOM 0 HB ILE A 64 0.716 18.456 -2.300 1.00 2.33 H new ATOM 0 HG12 ILE A 64 3.147 20.278 -2.241 1.00 75.43 H new ATOM 0 HG13 ILE A 64 1.499 20.815 -2.501 1.00 75.43 H new ATOM 0 HG21 ILE A 64 2.552 17.615 -0.891 1.00 44.01 H new ATOM 0 HG22 ILE A 64 2.347 16.631 -2.360 1.00 44.01 H new ATOM 0 HG23 ILE A 64 3.681 17.804 -2.254 1.00 44.01 H new ATOM 0 HD11 ILE A 64 2.180 21.167 -0.177 1.00 11.12 H new ATOM 0 HD12 ILE A 64 0.860 19.977 -0.267 1.00 11.12 H new ATOM 0 HD13 ILE A 64 2.534 19.432 -0.004 1.00 11.12 H new ATOM 1008 N CYS A 65 2.608 16.640 -5.169 1.00 21.21 N ATOM 1009 CA CYS A 65 2.470 15.291 -5.707 1.00 73.21 C ATOM 1010 C CYS A 65 3.530 14.363 -5.125 1.00 10.41 C ATOM 1011 O CYS A 65 4.586 14.810 -4.680 1.00 53.41 O ATOM 1012 CB CYS A 65 2.579 15.316 -7.232 1.00 24.12 C ATOM 1013 SG CYS A 65 1.300 16.319 -8.054 1.00 3.43 S ATOM 0 H CYS A 65 3.548 17.029 -5.242 1.00 21.21 H new ATOM 0 HA CYS A 65 1.488 14.912 -5.426 1.00 73.21 H new ATOM 0 HB2 CYS A 65 3.561 15.701 -7.509 1.00 24.12 H new ATOM 0 HB3 CYS A 65 2.520 14.294 -7.606 1.00 24.12 H new ATOM 1018 N ASN A 66 3.240 13.065 -5.132 1.00 44.32 N ATOM 1019 CA ASN A 66 4.169 12.071 -4.605 1.00 53.41 C ATOM 1020 C ASN A 66 5.367 11.900 -5.532 1.00 40.54 C ATOM 1021 O ASN A 66 5.336 12.321 -6.688 1.00 42.44 O ATOM 1022 CB ASN A 66 3.459 10.729 -4.416 1.00 4.34 C ATOM 1023 CG ASN A 66 2.932 10.166 -5.722 1.00 53.40 C ATOM 1024 OD1 ASN A 66 2.880 10.863 -6.736 1.00 23.11 O ATOM 1025 ND2 ASN A 66 2.537 8.897 -5.703 1.00 12.22 N ATOM 0 H ASN A 66 2.370 12.677 -5.497 1.00 44.32 H new ATOM 0 HA ASN A 66 4.529 12.423 -3.638 1.00 53.41 H new ATOM 0 HB2 ASN A 66 4.150 10.015 -3.968 1.00 4.34 H new ATOM 0 HB3 ASN A 66 2.632 10.854 -3.717 1.00 4.34 H new ATOM 0 HD21 ASN A 66 2.173 8.463 -6.551 1.00 12.22 H new ATOM 0 HD22 ASN A 66 2.598 8.357 -4.840 1.00 12.22 H new ATOM 1032 N ASN A 67 6.424 11.278 -5.018 1.00 11.55 N ATOM 1033 CA ASN A 67 7.634 11.051 -5.799 1.00 15.23 C ATOM 1034 C ASN A 67 7.327 10.230 -7.048 1.00 64.24 C ATOM 1035 O ASN A 67 8.029 10.326 -8.054 1.00 61.44 O ATOM 1036 CB ASN A 67 8.687 10.336 -4.952 1.00 20.14 C ATOM 1037 CG ASN A 67 9.682 11.300 -4.334 1.00 74.45 C ATOM 1038 OD1 ASN A 67 9.443 12.506 -4.276 1.00 73.43 O ATOM 1039 ND2 ASN A 67 10.808 10.769 -3.868 1.00 24.13 N ATOM 0 H ASN A 67 6.466 10.922 -4.063 1.00 11.55 H new ATOM 0 HA ASN A 67 8.025 12.021 -6.108 1.00 15.23 H new ATOM 0 HB2 ASN A 67 8.192 9.772 -4.161 1.00 20.14 H new ATOM 0 HB3 ASN A 67 9.220 9.615 -5.572 1.00 20.14 H new ATOM 0 HD21 ASN A 67 11.516 11.367 -3.441 1.00 24.13 H new ATOM 0 HD22 ASN A 67 10.964 9.763 -3.937 1.00 24.13 H new ATOM 1046 N GLU A 68 6.272 9.423 -6.975 1.00 2.34 N ATOM 1047 CA GLU A 68 5.874 8.585 -8.101 1.00 64.21 C ATOM 1048 C GLU A 68 5.088 9.393 -9.129 1.00 23.15 C ATOM 1049 O GLU A 68 4.816 8.919 -10.233 1.00 62.10 O ATOM 1050 CB GLU A 68 5.033 7.405 -7.614 1.00 13.03 C ATOM 1051 CG GLU A 68 5.604 6.717 -6.383 1.00 32.42 C ATOM 1052 CD GLU A 68 4.958 5.372 -6.115 1.00 43.55 C ATOM 1053 OE1 GLU A 68 3.906 5.087 -6.724 1.00 12.11 O ATOM 1054 OE2 GLU A 68 5.506 4.602 -5.297 1.00 63.23 O1- ATOM 0 H GLU A 68 5.679 9.332 -6.150 1.00 2.34 H new ATOM 0 HA GLU A 68 6.779 8.206 -8.576 1.00 64.21 H new ATOM 0 HB2 GLU A 68 4.026 7.756 -7.389 1.00 13.03 H new ATOM 0 HB3 GLU A 68 4.945 6.676 -8.419 1.00 13.03 H new ATOM 0 HG2 GLU A 68 6.678 6.581 -6.513 1.00 32.42 H new ATOM 0 HG3 GLU A 68 5.467 7.361 -5.515 1.00 32.42 H new ATOM 1061 N LYS A 69 4.726 10.617 -8.760 1.00 71.44 N ATOM 1062 CA LYS A 69 3.972 11.493 -9.649 1.00 40.30 C ATOM 1063 C LYS A 69 2.704 10.805 -10.145 1.00 12.13 C ATOM 1064 O LYS A 69 2.241 11.060 -11.255 1.00 32.33 O ATOM 1065 CB LYS A 69 4.836 11.912 -10.839 1.00 41.01 C ATOM 1066 CG LYS A 69 5.869 12.973 -10.498 1.00 21.00 C ATOM 1067 CD LYS A 69 6.696 13.358 -11.713 1.00 71.15 C ATOM 1068 CE LYS A 69 7.682 14.469 -11.388 1.00 4.11 C ATOM 1069 NZ LYS A 69 8.473 14.877 -12.582 1.00 61.00 N1+ ATOM 0 H LYS A 69 4.943 11.025 -7.851 1.00 71.44 H new ATOM 0 HA LYS A 69 3.686 12.381 -9.085 1.00 40.30 H new ATOM 0 HB2 LYS A 69 5.347 11.034 -11.234 1.00 41.01 H new ATOM 0 HB3 LYS A 69 4.190 12.288 -11.632 1.00 41.01 H new ATOM 0 HG2 LYS A 69 5.367 13.857 -10.103 1.00 21.00 H new ATOM 0 HG3 LYS A 69 6.527 12.602 -9.712 1.00 21.00 H new ATOM 0 HD2 LYS A 69 7.237 12.485 -12.077 1.00 71.15 H new ATOM 0 HD3 LYS A 69 6.035 13.681 -12.517 1.00 71.15 H new ATOM 0 HE2 LYS A 69 7.141 15.332 -10.999 1.00 4.11 H new ATOM 0 HE3 LYS A 69 8.358 14.135 -10.601 1.00 4.11 H new ATOM 0 HZ1 LYS A 69 9.133 15.636 -12.318 1.00 61.00 H new ATOM 0 HZ2 LYS A 69 9.009 14.060 -12.939 1.00 61.00 H new ATOM 0 HZ3 LYS A 69 7.830 15.220 -13.324 1.00 61.00 H new ATOM 1083 N THR A 70 2.146 9.931 -9.313 1.00 30.31 N ATOM 1084 CA THR A 70 0.932 9.206 -9.666 1.00 22.31 C ATOM 1085 C THR A 70 -0.286 9.807 -8.977 1.00 43.33 C ATOM 1086 O THR A 70 -1.384 9.826 -9.537 1.00 43.31 O ATOM 1087 CB THR A 70 1.038 7.715 -9.291 1.00 53.45 C ATOM 1088 OG1 THR A 70 1.086 7.572 -7.866 1.00 5.25 O ATOM 1089 CG2 THR A 70 2.277 7.088 -9.911 1.00 43.40 C ATOM 0 H THR A 70 2.516 9.708 -8.389 1.00 30.31 H new ATOM 0 HA THR A 70 0.815 9.293 -10.746 1.00 22.31 H new ATOM 0 HB THR A 70 0.158 7.201 -9.679 1.00 53.45 H new ATOM 0 HG1 THR A 70 1.152 6.622 -7.635 1.00 5.25 H new ATOM 0 HG21 THR A 70 2.330 6.036 -9.632 1.00 43.40 H new ATOM 0 HG22 THR A 70 2.224 7.174 -10.996 1.00 43.40 H new ATOM 0 HG23 THR A 70 3.166 7.605 -9.549 1.00 43.40 H new ATOM 1097 N LEU A 71 -0.091 10.297 -7.758 1.00 55.15 N ATOM 1098 CA LEU A 71 -1.175 10.900 -6.991 1.00 63.21 C ATOM 1099 C LEU A 71 -0.889 12.372 -6.708 1.00 74.32 C ATOM 1100 O LEU A 71 0.250 12.754 -6.440 1.00 71.24 O ATOM 1101 CB LEU A 71 -1.377 10.146 -5.675 1.00 51.23 C ATOM 1102 CG LEU A 71 -2.775 10.231 -5.061 1.00 34.13 C ATOM 1103 CD1 LEU A 71 -3.636 9.071 -5.532 1.00 32.00 C ATOM 1104 CD2 LEU A 71 -2.687 10.252 -3.542 1.00 23.13 C ATOM 0 H LEU A 71 0.809 10.288 -7.279 1.00 55.15 H new ATOM 0 HA LEU A 71 -2.087 10.833 -7.584 1.00 63.21 H new ATOM 0 HB2 LEU A 71 -1.138 9.096 -5.841 1.00 51.23 H new ATOM 0 HB3 LEU A 71 -0.659 10.525 -4.948 1.00 51.23 H new ATOM 0 HG LEU A 71 -3.242 11.159 -5.391 1.00 34.13 H new ATOM 0 HD11 LEU A 71 -4.627 9.148 -5.085 1.00 32.00 H new ATOM 0 HD12 LEU A 71 -3.725 9.101 -6.618 1.00 32.00 H new ATOM 0 HD13 LEU A 71 -3.175 8.130 -5.232 1.00 32.00 H new ATOM 0 HD21 LEU A 71 -3.690 10.313 -3.120 1.00 23.13 H new ATOM 0 HD22 LEU A 71 -2.201 9.341 -3.193 1.00 23.13 H new ATOM 0 HD23 LEU A 71 -2.106 11.118 -3.223 1.00 23.13 H new ATOM 1116 N CYS A 72 -1.931 13.193 -6.767 1.00 53.03 N ATOM 1117 CA CYS A 72 -1.795 14.623 -6.516 1.00 32.24 C ATOM 1118 C CYS A 72 -3.036 15.174 -5.819 1.00 44.23 C ATOM 1119 O CYS A 72 -4.115 14.584 -5.891 1.00 42.24 O ATOM 1120 CB CYS A 72 -1.556 15.372 -7.826 1.00 15.44 C ATOM 1121 SG CYS A 72 -0.054 14.854 -8.716 1.00 43.01 S ATOM 0 H CYS A 72 -2.881 12.893 -6.987 1.00 53.03 H new ATOM 0 HA CYS A 72 -0.937 14.771 -5.860 1.00 32.24 H new ATOM 0 HB2 CYS A 72 -2.419 15.228 -8.477 1.00 15.44 H new ATOM 0 HB3 CYS A 72 -1.490 16.439 -7.615 1.00 15.44 H new ATOM 1126 N THR A 73 -2.875 16.309 -5.147 1.00 61.13 N ATOM 1127 CA THR A 73 -3.981 16.940 -4.438 1.00 22.22 C ATOM 1128 C THR A 73 -5.194 17.110 -5.348 1.00 44.15 C ATOM 1129 O THR A 73 -5.072 17.590 -6.474 1.00 61.12 O ATOM 1130 CB THR A 73 -3.577 18.317 -3.879 1.00 35.12 C ATOM 1131 OG1 THR A 73 -2.517 18.873 -4.664 1.00 31.14 O ATOM 1132 CG2 THR A 73 -3.135 18.205 -2.428 1.00 55.11 C ATOM 0 H THR A 73 -1.989 16.810 -5.079 1.00 61.13 H new ATOM 0 HA THR A 73 -4.241 16.281 -3.610 1.00 22.22 H new ATOM 0 HB THR A 73 -4.447 18.972 -3.927 1.00 35.12 H new ATOM 0 HG1 THR A 73 -2.267 19.749 -4.303 1.00 31.14 H new ATOM 0 HG21 THR A 73 -2.855 19.190 -2.056 1.00 55.11 H new ATOM 0 HG22 THR A 73 -3.954 17.810 -1.828 1.00 55.11 H new ATOM 0 HG23 THR A 73 -2.279 17.534 -2.359 1.00 55.11 H new ATOM 1140 N SER A 74 -6.360 16.712 -4.852 1.00 30.10 N ATOM 1141 CA SER A 74 -7.594 16.817 -5.622 1.00 62.43 C ATOM 1142 C SER A 74 -7.805 18.245 -6.117 1.00 35.40 C ATOM 1143 O SER A 74 -7.398 19.206 -5.465 1.00 60.23 O ATOM 1144 CB SER A 74 -8.789 16.377 -4.774 1.00 23.42 C ATOM 1145 OG SER A 74 -9.952 16.233 -5.568 1.00 21.12 O ATOM 0 H SER A 74 -6.477 16.314 -3.920 1.00 30.10 H new ATOM 0 HA SER A 74 -7.510 16.159 -6.487 1.00 62.43 H new ATOM 0 HB2 SER A 74 -8.561 15.431 -4.282 1.00 23.42 H new ATOM 0 HB3 SER A 74 -8.970 17.110 -3.988 1.00 23.42 H new ATOM 0 HG SER A 74 -10.701 15.950 -5.003 1.00 21.12 H new ATOM 1151 N VAL A 75 -8.444 18.373 -7.275 1.00 55.43 N ATOM 1152 CA VAL A 75 -8.712 19.683 -7.858 1.00 11.13 C ATOM 1153 C VAL A 75 -9.535 20.549 -6.912 1.00 25.41 C ATOM 1154 O VAL A 75 -9.482 21.777 -6.973 1.00 24.22 O ATOM 1155 CB VAL A 75 -9.457 19.558 -9.201 1.00 13.53 C ATOM 1156 CG1 VAL A 75 -10.777 18.825 -9.013 1.00 14.01 C ATOM 1157 CG2 VAL A 75 -9.684 20.931 -9.814 1.00 0.01 C ATOM 0 H VAL A 75 -8.786 17.587 -7.828 1.00 55.43 H new ATOM 0 HA VAL A 75 -7.745 20.156 -8.029 1.00 11.13 H new ATOM 0 HB VAL A 75 -8.840 18.977 -9.886 1.00 13.53 H new ATOM 0 HG11 VAL A 75 -11.289 18.746 -9.972 1.00 14.01 H new ATOM 0 HG12 VAL A 75 -10.586 17.826 -8.621 1.00 14.01 H new ATOM 0 HG13 VAL A 75 -11.403 19.377 -8.312 1.00 14.01 H new ATOM 0 HG21 VAL A 75 -10.211 20.824 -10.762 1.00 0.01 H new ATOM 0 HG22 VAL A 75 -10.280 21.539 -9.134 1.00 0.01 H new ATOM 0 HG23 VAL A 75 -8.723 21.416 -9.986 1.00 0.01 H new ATOM 1167 N MET A 76 -10.295 19.900 -6.036 1.00 43.31 N ATOM 1168 CA MET A 76 -11.130 20.611 -5.074 1.00 43.13 C ATOM 1169 C MET A 76 -11.487 19.713 -3.894 1.00 51.03 C ATOM 1170 O MET A 76 -12.024 18.620 -4.075 1.00 70.34 O ATOM 1171 CB MET A 76 -12.406 21.118 -5.749 1.00 71.42 C ATOM 1172 CG MET A 76 -13.071 20.085 -6.645 1.00 32.35 C ATOM 1173 SD MET A 76 -14.819 20.427 -6.922 1.00 71.52 S ATOM 1174 CE MET A 76 -15.570 19.378 -5.680 1.00 75.53 C ATOM 0 H MET A 76 -10.350 18.883 -5.972 1.00 43.31 H new ATOM 0 HA MET A 76 -10.563 21.463 -4.700 1.00 43.13 H new ATOM 0 HB2 MET A 76 -13.114 21.431 -4.981 1.00 71.42 H new ATOM 0 HB3 MET A 76 -12.168 22.001 -6.341 1.00 71.42 H new ATOM 0 HG2 MET A 76 -12.554 20.056 -7.604 1.00 32.35 H new ATOM 0 HG3 MET A 76 -12.965 19.098 -6.195 1.00 32.35 H new ATOM 0 HE1 MET A 76 -16.654 19.479 -5.726 1.00 75.53 H new ATOM 0 HE2 MET A 76 -15.294 18.340 -5.865 1.00 75.53 H new ATOM 0 HE3 MET A 76 -15.219 19.676 -4.692 1.00 75.53 H new TER 1184 MET A 76