USER MOD reduce.3.24.130724 H: found=0, std=0, add=1109, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1112 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 132 THR OG1 : rot 141:sc= 1.02 USER MOD Set 1.2: A 133 LYS NZ :NH3+ -135:sc= 1.24 (180deg=0) USER MOD Set 2.1: A 114 GLN : amide:sc= -0.0616 X(o=-0.071,f=-0.018) USER MOD Set 2.2: A 117 SER OG : rot -140:sc=-0.00913 USER MOD Set 3.1: A 54 ASN :FLIP amide:sc= -0.677 X(o=-1.5!,f=-1.2) USER MOD Set 3.2: A 55 HIS :FLIP no HD1:sc= -0.502 F(o=-3.3,f=-1.2) USER MOD Set 4.1: A 16 TYR OH : rot 65:sc= 0.611 USER MOD Set 4.2: A 20 GLN : amide:sc= 1.68 K(o=5.1,f=-15!) USER MOD Set 4.3: A 52 GLN : amide:sc= 1.09 K(o=5.1,f=-12!) USER MOD Set 4.4: A 107 LYS NZ :NH3+ -163:sc= 1.71 (180deg=-0.492) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.619 X(o=-0.62,f=-0.41) USER MOD Single : A 9 SER OG : rot 80:sc= 1.19 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -82:sc= 0.372 USER MOD Single : A 37 SER OG : rot 180:sc=-0.00311 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 101:sc= 1.46 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.268 K(o=-0.27,f=-0.78) USER MOD Single : A 62 MET CE :methyl 164:sc= -0.106 (180deg=-0.508) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00635) USER MOD Single : A 70 ASN :FLIP amide:sc= -1.6 F(o=-3.7!,f=-1.6) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl 150:sc= 0 (180deg=-1.9) USER MOD Single : A 83 HIS :FLIP no HE2:sc= 0.435 F(o=-1.5!,f=0.43) USER MOD Single : A 97 THR OG1 : rot 66:sc= 1.57 USER MOD Single : A 100 SER OG : rot -32:sc= 0.49 USER MOD Single : A 108 HIS : no HD1:sc= 0.651 K(o=0.65,f=-2.5!) USER MOD Single : A 110 LYS NZ :NH3+ -164:sc= -0.0481 (180deg=-0.294) USER MOD Single : A 111 THR OG1 : rot 75:sc= 0.748 USER MOD Single : A 113 ASN : amide:sc=-0.00771 X(o=-0.0077,f=0) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot -163:sc= 0.301 USER MOD Single : A 126 THR OG1 : rot 74:sc= -0.455 USER MOD Single : A 139 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0836) USER MOD Single : A 140 GLN : amide:sc= -0.474 X(o=-0.47,f=0) USER MOD Single : A 151 HIS : no HD1:sc= -0.257 X(o=-0.26,f=-0.43) USER MOD ----------------------------------------------------------------- ATOM 35 N ASP A 3 2.915 -2.031 -4.144 1.00 65.43 N ATOM 36 CA ASP A 3 3.649 -2.399 -5.359 1.00 12.32 C ATOM 37 C ASP A 3 2.720 -3.051 -6.408 1.00 32.13 C ATOM 38 O ASP A 3 1.750 -3.737 -6.065 1.00 2.14 O ATOM 39 CB ASP A 3 4.796 -3.351 -4.991 1.00 74.11 C ATOM 40 CG ASP A 3 5.773 -3.557 -6.135 1.00 74.30 C ATOM 41 OD1 ASP A 3 5.519 -4.424 -6.994 1.00 35.44 O ATOM 42 OD2 ASP A 3 6.797 -2.842 -6.184 1.00 32.42 O ATOM 0 HA ASP A 3 4.056 -1.492 -5.806 1.00 12.32 H new ATOM 0 HB2 ASP A 3 5.331 -2.953 -4.128 1.00 74.11 H new ATOM 0 HB3 ASP A 3 4.382 -4.315 -4.693 1.00 74.11 H new ATOM 47 N GLU A 4 3.032 -2.840 -7.687 1.00 74.50 N ATOM 48 CA GLU A 4 2.242 -3.394 -8.796 1.00 64.53 C ATOM 49 C GLU A 4 2.181 -4.932 -8.732 1.00 23.31 C ATOM 50 O GLU A 4 1.120 -5.537 -8.913 1.00 21.54 O ATOM 51 CB GLU A 4 2.855 -2.936 -10.127 1.00 32.44 C ATOM 52 CG GLU A 4 2.069 -3.350 -11.367 1.00 4.22 C ATOM 53 CD GLU A 4 2.669 -2.777 -12.642 1.00 62.21 C ATOM 54 OE1 GLU A 4 2.413 -1.592 -12.939 1.00 62.22 O ATOM 55 OE2 GLU A 4 3.412 -3.498 -13.341 1.00 70.21 O ATOM 0 H GLU A 4 3.833 -2.284 -7.986 1.00 74.50 H new ATOM 0 HA GLU A 4 1.219 -3.026 -8.715 1.00 64.53 H new ATOM 0 HB2 GLU A 4 2.944 -1.850 -10.116 1.00 32.44 H new ATOM 0 HB3 GLU A 4 3.865 -3.338 -10.203 1.00 32.44 H new ATOM 0 HG2 GLU A 4 2.046 -4.438 -11.435 1.00 4.22 H new ATOM 0 HG3 GLU A 4 1.036 -3.015 -11.270 1.00 4.22 H new ATOM 62 N LEU A 5 3.326 -5.550 -8.447 1.00 61.03 N ATOM 63 CA LEU A 5 3.419 -7.009 -8.297 1.00 20.13 C ATOM 64 C LEU A 5 2.496 -7.510 -7.171 1.00 34.12 C ATOM 65 O LEU A 5 1.876 -8.574 -7.280 1.00 4.22 O ATOM 66 CB LEU A 5 4.875 -7.399 -8.007 1.00 61.10 C ATOM 67 CG LEU A 5 5.141 -8.895 -7.776 1.00 13.50 C ATOM 68 CD1 LEU A 5 4.830 -9.710 -9.031 1.00 74.21 C ATOM 69 CD2 LEU A 5 6.585 -9.112 -7.324 1.00 2.04 C ATOM 0 H LEU A 5 4.212 -5.062 -8.314 1.00 61.03 H new ATOM 0 HA LEU A 5 3.095 -7.478 -9.226 1.00 20.13 H new ATOM 0 HB2 LEU A 5 5.492 -7.066 -8.841 1.00 61.10 H new ATOM 0 HB3 LEU A 5 5.208 -6.851 -7.125 1.00 61.10 H new ATOM 0 HG LEU A 5 4.476 -9.244 -6.986 1.00 13.50 H new ATOM 0 HD11 LEU A 5 5.027 -10.764 -8.838 1.00 74.21 H new ATOM 0 HD12 LEU A 5 3.781 -9.580 -9.299 1.00 74.21 H new ATOM 0 HD13 LEU A 5 5.459 -9.367 -9.853 1.00 74.21 H new ATOM 0 HD21 LEU A 5 6.760 -10.176 -7.164 1.00 2.04 H new ATOM 0 HD22 LEU A 5 7.266 -8.744 -8.091 1.00 2.04 H new ATOM 0 HD23 LEU A 5 6.760 -8.571 -6.394 1.00 2.04 H new ATOM 81 N TYR A 6 2.411 -6.733 -6.091 1.00 44.42 N ATOM 82 CA TYR A 6 1.513 -7.050 -4.975 1.00 44.12 C ATOM 83 C TYR A 6 0.046 -7.054 -5.434 1.00 34.22 C ATOM 84 O TYR A 6 -0.723 -7.941 -5.070 1.00 13.12 O ATOM 85 CB TYR A 6 1.710 -6.042 -3.829 1.00 35.21 C ATOM 86 CG TYR A 6 0.769 -6.241 -2.645 1.00 21.44 C ATOM 87 CD1 TYR A 6 1.112 -7.076 -1.583 1.00 20.41 C ATOM 88 CD2 TYR A 6 -0.463 -5.592 -2.590 1.00 74.01 C ATOM 89 CE1 TYR A 6 0.256 -7.257 -0.509 1.00 61.01 C ATOM 90 CE2 TYR A 6 -1.319 -5.768 -1.519 1.00 43.33 C ATOM 91 CZ TYR A 6 -0.957 -6.600 -0.482 1.00 4.13 C ATOM 92 OH TYR A 6 -1.814 -6.777 0.582 1.00 53.25 O ATOM 0 H TYR A 6 2.953 -5.878 -5.963 1.00 44.42 H new ATOM 0 HA TYR A 6 1.759 -8.048 -4.613 1.00 44.12 H new ATOM 0 HB2 TYR A 6 2.739 -6.110 -3.475 1.00 35.21 H new ATOM 0 HB3 TYR A 6 1.573 -5.034 -4.221 1.00 35.21 H new ATOM 0 HD1 TYR A 6 2.061 -7.591 -1.598 1.00 20.41 H new ATOM 0 HD2 TYR A 6 -0.754 -4.939 -3.399 1.00 74.01 H new ATOM 0 HE1 TYR A 6 0.537 -7.910 0.304 1.00 61.01 H new ATOM 0 HE2 TYR A 6 -2.269 -5.255 -1.495 1.00 43.33 H new ATOM 0 HH TYR A 6 -2.623 -6.241 0.443 1.00 53.25 H new ATOM 102 N ARG A 7 -0.336 -6.061 -6.239 1.00 64.03 N ATOM 103 CA ARG A 7 -1.715 -5.962 -6.733 1.00 0.43 C ATOM 104 C ARG A 7 -2.062 -7.076 -7.734 1.00 1.13 C ATOM 105 O ARG A 7 -3.174 -7.605 -7.703 1.00 40.14 O ATOM 106 CB ARG A 7 -1.977 -4.576 -7.347 1.00 14.25 C ATOM 107 CG ARG A 7 -2.322 -3.510 -6.307 1.00 52.52 C ATOM 108 CD ARG A 7 -3.657 -3.811 -5.618 1.00 1.34 C ATOM 109 NE ARG A 7 -3.901 -2.947 -4.464 1.00 3.24 N ATOM 110 CZ ARG A 7 -5.079 -2.708 -3.950 1.00 2.31 C ATOM 111 NH1 ARG A 7 -6.160 -3.164 -4.506 1.00 3.45 N ATOM 112 NH2 ARG A 7 -5.174 -1.985 -2.885 1.00 13.51 N ATOM 0 H ARG A 7 0.283 -5.318 -6.562 1.00 64.03 H new ATOM 0 HA ARG A 7 -2.370 -6.093 -5.872 1.00 0.43 H new ATOM 0 HB2 ARG A 7 -1.094 -4.260 -7.903 1.00 14.25 H new ATOM 0 HB3 ARG A 7 -2.794 -4.652 -8.064 1.00 14.25 H new ATOM 0 HG2 ARG A 7 -1.529 -3.458 -5.561 1.00 52.52 H new ATOM 0 HG3 ARG A 7 -2.371 -2.533 -6.788 1.00 52.52 H new ATOM 0 HD2 ARG A 7 -4.468 -3.690 -6.336 1.00 1.34 H new ATOM 0 HD3 ARG A 7 -3.669 -4.852 -5.297 1.00 1.34 H new ATOM 0 HE ARG A 7 -3.095 -2.499 -4.029 1.00 3.24 H new ATOM 0 HH11 ARG A 7 -6.099 -3.720 -5.359 1.00 3.45 H new ATOM 0 HH12 ARG A 7 -7.070 -2.967 -4.090 1.00 3.45 H new ATOM 0 HH21 ARG A 7 -4.333 -1.604 -2.450 1.00 13.51 H new ATOM 0 HH22 ARG A 7 -6.090 -1.794 -2.478 1.00 13.51 H new ATOM 126 N GLN A 8 -1.128 -7.434 -8.619 1.00 34.41 N ATOM 127 CA GLN A 8 -1.354 -8.558 -9.542 1.00 25.02 C ATOM 128 C GLN A 8 -1.578 -9.863 -8.765 1.00 44.33 C ATOM 129 O GLN A 8 -2.537 -10.596 -9.014 1.00 14.04 O ATOM 130 CB GLN A 8 -0.176 -8.739 -10.510 1.00 44.14 C ATOM 131 CG GLN A 8 -0.400 -9.866 -11.520 1.00 41.41 C ATOM 132 CD GLN A 8 0.796 -10.123 -12.422 1.00 71.32 C ATOM 133 OE1 GLN A 8 1.583 -9.231 -12.704 1.00 12.33 O ATOM 134 NE2 GLN A 8 0.920 -11.342 -12.911 1.00 12.34 N ATOM 0 H GLN A 8 -0.223 -6.974 -8.719 1.00 34.41 H new ATOM 0 HA GLN A 8 -2.247 -8.323 -10.121 1.00 25.02 H new ATOM 0 HB2 GLN A 8 -0.007 -7.806 -11.047 1.00 44.14 H new ATOM 0 HB3 GLN A 8 0.729 -8.946 -9.938 1.00 44.14 H new ATOM 0 HG2 GLN A 8 -0.641 -10.782 -10.981 1.00 41.41 H new ATOM 0 HG3 GLN A 8 -1.264 -9.622 -12.138 1.00 41.41 H new ATOM 0 HE21 GLN A 8 0.247 -12.065 -12.656 1.00 12.34 H new ATOM 0 HE22 GLN A 8 1.689 -11.562 -13.544 1.00 12.34 H new ATOM 143 N SER A 9 -0.685 -10.141 -7.819 1.00 35.54 N ATOM 144 CA SER A 9 -0.781 -11.347 -6.989 1.00 73.12 C ATOM 145 C SER A 9 -2.075 -11.347 -6.160 1.00 32.33 C ATOM 146 O SER A 9 -2.802 -12.341 -6.127 1.00 75.32 O ATOM 147 CB SER A 9 0.439 -11.450 -6.065 1.00 12.02 C ATOM 148 OG SER A 9 1.647 -11.438 -6.814 1.00 31.53 O ATOM 0 H SER A 9 0.117 -9.548 -7.605 1.00 35.54 H new ATOM 0 HA SER A 9 -0.803 -12.213 -7.650 1.00 73.12 H new ATOM 0 HB2 SER A 9 0.436 -10.620 -5.359 1.00 12.02 H new ATOM 0 HB3 SER A 9 0.379 -12.367 -5.479 1.00 12.02 H new ATOM 0 HG SER A 9 1.871 -10.516 -7.059 1.00 31.53 H new ATOM 154 N LEU A 10 -2.364 -10.216 -5.510 1.00 2.41 N ATOM 155 CA LEU A 10 -3.594 -10.059 -4.722 1.00 50.41 C ATOM 156 C LEU A 10 -4.845 -10.254 -5.597 1.00 34.55 C ATOM 157 O LEU A 10 -5.837 -10.836 -5.156 1.00 23.40 O ATOM 158 CB LEU A 10 -3.627 -8.672 -4.055 1.00 33.25 C ATOM 159 CG LEU A 10 -4.854 -8.392 -3.165 1.00 63.32 C ATOM 160 CD1 LEU A 10 -4.911 -9.369 -1.992 1.00 53.14 C ATOM 161 CD2 LEU A 10 -4.842 -6.949 -2.663 1.00 51.42 C ATOM 0 H LEU A 10 -1.762 -9.392 -5.513 1.00 2.41 H new ATOM 0 HA LEU A 10 -3.597 -10.827 -3.949 1.00 50.41 H new ATOM 0 HB2 LEU A 10 -2.728 -8.558 -3.450 1.00 33.25 H new ATOM 0 HB3 LEU A 10 -3.585 -7.912 -4.835 1.00 33.25 H new ATOM 0 HG LEU A 10 -5.749 -8.536 -3.771 1.00 63.32 H new ATOM 0 HD11 LEU A 10 -5.785 -9.151 -1.379 1.00 53.14 H new ATOM 0 HD12 LEU A 10 -4.979 -10.389 -2.371 1.00 53.14 H new ATOM 0 HD13 LEU A 10 -4.010 -9.265 -1.388 1.00 53.14 H new ATOM 0 HD21 LEU A 10 -5.717 -6.774 -2.037 1.00 51.42 H new ATOM 0 HD22 LEU A 10 -3.938 -6.774 -2.080 1.00 51.42 H new ATOM 0 HD23 LEU A 10 -4.862 -6.268 -3.514 1.00 51.42 H new ATOM 173 N GLU A 11 -4.779 -9.766 -6.837 1.00 40.05 N ATOM 174 CA GLU A 11 -5.873 -9.930 -7.803 1.00 61.13 C ATOM 175 C GLU A 11 -6.190 -11.419 -8.020 1.00 41.32 C ATOM 176 O GLU A 11 -7.323 -11.867 -7.833 1.00 12.25 O ATOM 177 CB GLU A 11 -5.464 -9.288 -9.145 1.00 12.20 C ATOM 178 CG GLU A 11 -6.519 -9.376 -10.250 1.00 21.14 C ATOM 179 CD GLU A 11 -7.634 -8.353 -10.096 1.00 42.23 C ATOM 180 OE1 GLU A 11 -8.445 -8.484 -9.160 1.00 11.02 O ATOM 181 OE2 GLU A 11 -7.710 -7.417 -10.922 1.00 14.11 O ATOM 0 H GLU A 11 -3.977 -9.251 -7.200 1.00 40.05 H new ATOM 0 HA GLU A 11 -6.765 -9.441 -7.411 1.00 61.13 H new ATOM 0 HB2 GLU A 11 -5.227 -8.238 -8.972 1.00 12.20 H new ATOM 0 HB3 GLU A 11 -4.550 -9.767 -9.496 1.00 12.20 H new ATOM 0 HG2 GLU A 11 -6.036 -9.235 -11.217 1.00 21.14 H new ATOM 0 HG3 GLU A 11 -6.951 -10.377 -10.253 1.00 21.14 H new ATOM 188 N ILE A 12 -5.157 -12.184 -8.361 1.00 33.13 N ATOM 189 CA ILE A 12 -5.300 -13.615 -8.647 1.00 75.23 C ATOM 190 C ILE A 12 -5.766 -14.400 -7.409 1.00 71.32 C ATOM 191 O ILE A 12 -6.726 -15.169 -7.473 1.00 24.33 O ATOM 192 CB ILE A 12 -3.957 -14.199 -9.160 1.00 45.44 C ATOM 193 CG1 ILE A 12 -3.478 -13.413 -10.394 1.00 32.52 C ATOM 194 CG2 ILE A 12 -4.097 -15.686 -9.487 1.00 72.30 C ATOM 195 CD1 ILE A 12 -2.076 -13.769 -10.843 1.00 32.03 C ATOM 0 H ILE A 12 -4.202 -11.836 -8.448 1.00 33.13 H new ATOM 0 HA ILE A 12 -6.062 -13.718 -9.420 1.00 75.23 H new ATOM 0 HB ILE A 12 -3.212 -14.100 -8.370 1.00 45.44 H new ATOM 0 HG12 ILE A 12 -4.169 -13.593 -11.218 1.00 32.52 H new ATOM 0 HG13 ILE A 12 -3.518 -12.347 -10.171 1.00 32.52 H new ATOM 0 HG21 ILE A 12 -3.142 -16.071 -9.844 1.00 72.30 H new ATOM 0 HG22 ILE A 12 -4.395 -16.229 -8.590 1.00 72.30 H new ATOM 0 HG23 ILE A 12 -4.854 -15.819 -10.260 1.00 72.30 H new ATOM 0 HD11 ILE A 12 -1.812 -13.173 -11.717 1.00 32.03 H new ATOM 0 HD12 ILE A 12 -1.372 -13.563 -10.037 1.00 32.03 H new ATOM 0 HD13 ILE A 12 -2.034 -14.828 -11.099 1.00 32.03 H new ATOM 207 N ILE A 13 -5.090 -14.184 -6.284 1.00 40.13 N ATOM 208 CA ILE A 13 -5.396 -14.901 -5.042 1.00 33.11 C ATOM 209 C ILE A 13 -6.812 -14.583 -4.521 1.00 71.24 C ATOM 210 O ILE A 13 -7.601 -15.492 -4.263 1.00 51.32 O ATOM 211 CB ILE A 13 -4.346 -14.581 -3.945 1.00 5.33 C ATOM 212 CG1 ILE A 13 -2.941 -14.990 -4.427 1.00 52.44 C ATOM 213 CG2 ILE A 13 -4.696 -15.288 -2.634 1.00 25.11 C ATOM 214 CD1 ILE A 13 -1.827 -14.631 -3.466 1.00 60.30 C ATOM 0 H ILE A 13 -4.323 -13.516 -6.203 1.00 40.13 H new ATOM 0 HA ILE A 13 -5.357 -15.965 -5.275 1.00 33.11 H new ATOM 0 HB ILE A 13 -4.354 -13.507 -3.758 1.00 5.33 H new ATOM 0 HG12 ILE A 13 -2.926 -16.067 -4.597 1.00 52.44 H new ATOM 0 HG13 ILE A 13 -2.745 -14.513 -5.387 1.00 52.44 H new ATOM 0 HG21 ILE A 13 -3.946 -15.049 -1.880 1.00 25.11 H new ATOM 0 HG22 ILE A 13 -5.675 -14.954 -2.291 1.00 25.11 H new ATOM 0 HG23 ILE A 13 -4.717 -16.366 -2.796 1.00 25.11 H new ATOM 0 HD11 ILE A 13 -0.871 -14.953 -3.880 1.00 60.30 H new ATOM 0 HD12 ILE A 13 -1.811 -13.552 -3.314 1.00 60.30 H new ATOM 0 HD13 ILE A 13 -1.995 -15.129 -2.511 1.00 60.30 H new ATOM 226 N SER A 14 -7.135 -13.295 -4.384 1.00 43.12 N ATOM 227 CA SER A 14 -8.446 -12.875 -3.850 1.00 23.21 C ATOM 228 C SER A 14 -9.608 -13.448 -4.673 1.00 4.24 C ATOM 229 O SER A 14 -10.562 -14.008 -4.122 1.00 14.52 O ATOM 230 CB SER A 14 -8.556 -11.344 -3.812 1.00 72.14 C ATOM 231 OG SER A 14 -9.805 -10.929 -3.276 1.00 23.44 O ATOM 0 H SER A 14 -6.515 -12.524 -4.632 1.00 43.12 H new ATOM 0 HA SER A 14 -8.515 -13.269 -2.836 1.00 23.21 H new ATOM 0 HB2 SER A 14 -7.745 -10.934 -3.210 1.00 72.14 H new ATOM 0 HB3 SER A 14 -8.439 -10.944 -4.819 1.00 72.14 H new ATOM 0 HG SER A 14 -9.846 -9.950 -3.263 1.00 23.44 H new ATOM 237 N ARG A 15 -9.520 -13.309 -5.996 1.00 54.42 N ATOM 238 CA ARG A 15 -10.556 -13.822 -6.901 1.00 42.42 C ATOM 239 C ARG A 15 -10.668 -15.352 -6.824 1.00 51.14 C ATOM 240 O ARG A 15 -11.770 -15.901 -6.832 1.00 73.41 O ATOM 241 CB ARG A 15 -10.252 -13.372 -8.334 1.00 10.25 C ATOM 242 CG ARG A 15 -10.267 -11.855 -8.493 1.00 40.33 C ATOM 243 CD ARG A 15 -9.619 -11.408 -9.795 1.00 14.33 C ATOM 244 NE ARG A 15 -10.351 -11.852 -10.970 1.00 25.14 N ATOM 245 CZ ARG A 15 -10.143 -11.395 -12.168 1.00 65.20 C ATOM 246 NH1 ARG A 15 -9.268 -10.464 -12.378 1.00 32.52 N ATOM 247 NH2 ARG A 15 -10.829 -11.863 -13.151 1.00 74.14 N ATOM 0 H ARG A 15 -8.743 -12.846 -6.468 1.00 54.42 H new ATOM 0 HA ARG A 15 -11.518 -13.414 -6.590 1.00 42.42 H new ATOM 0 HB2 ARG A 15 -9.275 -13.754 -8.630 1.00 10.25 H new ATOM 0 HB3 ARG A 15 -10.985 -13.811 -9.011 1.00 10.25 H new ATOM 0 HG2 ARG A 15 -11.296 -11.498 -8.460 1.00 40.33 H new ATOM 0 HG3 ARG A 15 -9.744 -11.398 -7.653 1.00 40.33 H new ATOM 0 HD2 ARG A 15 -9.549 -10.320 -9.806 1.00 14.33 H new ATOM 0 HD3 ARG A 15 -8.601 -11.794 -9.840 1.00 14.33 H new ATOM 0 HE ARG A 15 -11.070 -12.564 -10.846 1.00 25.14 H new ATOM 0 HH11 ARG A 15 -8.733 -10.081 -11.598 1.00 32.52 H new ATOM 0 HH12 ARG A 15 -9.113 -10.113 -13.323 1.00 32.52 H new ATOM 0 HH21 ARG A 15 -11.529 -12.586 -12.986 1.00 74.14 H new ATOM 0 HH22 ARG A 15 -10.673 -11.511 -14.095 1.00 74.14 H new ATOM 261 N TYR A 16 -9.524 -16.031 -6.735 1.00 33.01 N ATOM 262 CA TYR A 16 -9.499 -17.491 -6.593 1.00 64.34 C ATOM 263 C TYR A 16 -10.224 -17.934 -5.315 1.00 44.51 C ATOM 264 O TYR A 16 -11.124 -18.771 -5.358 1.00 33.20 O ATOM 265 CB TYR A 16 -8.048 -17.994 -6.572 1.00 51.12 C ATOM 266 CG TYR A 16 -7.915 -19.506 -6.500 1.00 74.32 C ATOM 267 CD1 TYR A 16 -8.328 -20.312 -7.557 1.00 35.13 C ATOM 268 CD2 TYR A 16 -7.378 -20.128 -5.376 1.00 1.03 C ATOM 269 CE1 TYR A 16 -8.208 -21.686 -7.494 1.00 44.14 C ATOM 270 CE2 TYR A 16 -7.254 -21.503 -5.309 1.00 61.31 C ATOM 271 CZ TYR A 16 -7.673 -22.277 -6.369 1.00 72.21 C ATOM 272 OH TYR A 16 -7.550 -23.647 -6.307 1.00 32.10 O ATOM 0 H TYR A 16 -8.602 -15.596 -6.758 1.00 33.01 H new ATOM 0 HA TYR A 16 -10.018 -17.923 -7.448 1.00 64.34 H new ATOM 0 HB2 TYR A 16 -7.539 -17.638 -7.467 1.00 51.12 H new ATOM 0 HB3 TYR A 16 -7.535 -17.554 -5.717 1.00 51.12 H new ATOM 0 HD1 TYR A 16 -8.749 -19.855 -8.440 1.00 35.13 H new ATOM 0 HD2 TYR A 16 -7.052 -19.525 -4.541 1.00 1.03 H new ATOM 0 HE1 TYR A 16 -8.532 -22.296 -8.324 1.00 44.14 H new ATOM 0 HE2 TYR A 16 -6.831 -21.968 -4.431 1.00 61.31 H new ATOM 0 HH TYR A 16 -6.916 -23.950 -6.990 1.00 32.10 H new ATOM 282 N LEU A 17 -9.828 -17.365 -4.177 1.00 23.13 N ATOM 283 CA LEU A 17 -10.489 -17.652 -2.897 1.00 65.04 C ATOM 284 C LEU A 17 -12.003 -17.387 -2.978 1.00 12.24 C ATOM 285 O LEU A 17 -12.808 -18.158 -2.447 1.00 60.42 O ATOM 286 CB LEU A 17 -9.858 -16.817 -1.766 1.00 4.03 C ATOM 287 CG LEU A 17 -8.592 -17.412 -1.115 1.00 53.22 C ATOM 288 CD1 LEU A 17 -7.517 -17.719 -2.155 1.00 4.34 C ATOM 289 CD2 LEU A 17 -8.054 -16.466 -0.044 1.00 11.15 C ATOM 0 H LEU A 17 -9.055 -16.703 -4.111 1.00 23.13 H new ATOM 0 HA LEU A 17 -10.345 -18.710 -2.676 1.00 65.04 H new ATOM 0 HB2 LEU A 17 -9.611 -15.832 -2.162 1.00 4.03 H new ATOM 0 HB3 LEU A 17 -10.607 -16.669 -0.989 1.00 4.03 H new ATOM 0 HG LEU A 17 -8.869 -18.355 -0.644 1.00 53.22 H new ATOM 0 HD11 LEU A 17 -6.640 -18.137 -1.660 1.00 4.34 H new ATOM 0 HD12 LEU A 17 -7.904 -18.439 -2.876 1.00 4.34 H new ATOM 0 HD13 LEU A 17 -7.239 -16.801 -2.672 1.00 4.34 H new ATOM 0 HD21 LEU A 17 -7.161 -16.898 0.407 1.00 11.15 H new ATOM 0 HD22 LEU A 17 -7.804 -15.507 -0.498 1.00 11.15 H new ATOM 0 HD23 LEU A 17 -8.813 -16.317 0.724 1.00 11.15 H new ATOM 301 N ARG A 18 -12.384 -16.305 -3.663 1.00 42.53 N ATOM 302 CA ARG A 18 -13.794 -15.943 -3.825 1.00 24.40 C ATOM 303 C ARG A 18 -14.568 -17.012 -4.621 1.00 65.42 C ATOM 304 O ARG A 18 -15.555 -17.567 -4.130 1.00 30.10 O ATOM 305 CB ARG A 18 -13.915 -14.571 -4.516 1.00 24.31 C ATOM 306 CG ARG A 18 -14.867 -13.620 -3.803 1.00 44.32 C ATOM 307 CD ARG A 18 -14.324 -13.209 -2.437 1.00 23.41 C ATOM 308 NE ARG A 18 -15.306 -12.480 -1.638 1.00 60.24 N ATOM 309 CZ ARG A 18 -15.268 -11.198 -1.414 1.00 33.11 C ATOM 310 NH1 ARG A 18 -14.417 -10.447 -2.032 1.00 13.14 N ATOM 311 NH2 ARG A 18 -16.107 -10.659 -0.593 1.00 52.12 N ATOM 0 H ARG A 18 -11.733 -15.663 -4.115 1.00 42.53 H new ATOM 0 HA ARG A 18 -14.238 -15.884 -2.831 1.00 24.40 H new ATOM 0 HB2 ARG A 18 -12.928 -14.112 -4.572 1.00 24.31 H new ATOM 0 HB3 ARG A 18 -14.258 -14.717 -5.540 1.00 24.31 H new ATOM 0 HG2 ARG A 18 -15.024 -12.732 -4.416 1.00 44.32 H new ATOM 0 HG3 ARG A 18 -15.839 -14.099 -3.681 1.00 44.32 H new ATOM 0 HD2 ARG A 18 -14.007 -14.099 -1.893 1.00 23.41 H new ATOM 0 HD3 ARG A 18 -13.439 -12.588 -2.574 1.00 23.41 H new ATOM 0 HE ARG A 18 -16.074 -13.012 -1.228 1.00 60.24 H new ATOM 0 HH11 ARG A 18 -13.767 -10.858 -2.702 1.00 13.14 H new ATOM 0 HH12 ARG A 18 -14.395 -9.444 -1.849 1.00 13.14 H new ATOM 0 HH21 ARG A 18 -16.800 -11.238 -0.119 1.00 52.12 H new ATOM 0 HH22 ARG A 18 -16.076 -9.655 -0.418 1.00 52.12 H new ATOM 325 N GLU A 19 -14.113 -17.306 -5.843 1.00 3.32 N ATOM 326 CA GLU A 19 -14.775 -18.309 -6.686 1.00 72.22 C ATOM 327 C GLU A 19 -14.753 -19.697 -6.024 1.00 65.33 C ATOM 328 O GLU A 19 -15.679 -20.493 -6.188 1.00 43.03 O ATOM 329 CB GLU A 19 -14.133 -18.376 -8.083 1.00 23.34 C ATOM 330 CG GLU A 19 -12.683 -18.843 -8.106 1.00 13.22 C ATOM 331 CD GLU A 19 -12.235 -19.255 -9.502 1.00 65.55 C ATOM 332 OE1 GLU A 19 -12.290 -18.418 -10.430 1.00 51.12 O ATOM 333 OE2 GLU A 19 -11.842 -20.426 -9.684 1.00 23.04 O ATOM 0 H GLU A 19 -13.296 -16.868 -6.269 1.00 3.32 H new ATOM 0 HA GLU A 19 -15.814 -18.000 -6.800 1.00 72.22 H new ATOM 0 HB2 GLU A 19 -14.725 -19.047 -8.706 1.00 23.34 H new ATOM 0 HB3 GLU A 19 -14.187 -17.387 -8.539 1.00 23.34 H new ATOM 0 HG2 GLU A 19 -12.039 -18.043 -7.741 1.00 13.22 H new ATOM 0 HG3 GLU A 19 -12.563 -19.685 -7.424 1.00 13.22 H new ATOM 340 N GLN A 20 -13.691 -19.970 -5.265 1.00 72.02 N ATOM 341 CA GLN A 20 -13.575 -21.210 -4.491 1.00 40.44 C ATOM 342 C GLN A 20 -14.626 -21.287 -3.374 1.00 60.43 C ATOM 343 O GLN A 20 -15.107 -22.370 -3.042 1.00 31.30 O ATOM 344 CB GLN A 20 -12.166 -21.331 -3.892 1.00 35.55 C ATOM 345 CG GLN A 20 -11.108 -21.800 -4.883 1.00 50.13 C ATOM 346 CD GLN A 20 -11.298 -23.251 -5.280 1.00 4.25 C ATOM 347 OE1 GLN A 20 -10.808 -24.151 -4.612 1.00 14.30 O ATOM 348 NE2 GLN A 20 -12.005 -23.497 -6.363 1.00 63.12 N ATOM 0 H GLN A 20 -12.892 -19.344 -5.169 1.00 72.02 H new ATOM 0 HA GLN A 20 -13.753 -22.040 -5.174 1.00 40.44 H new ATOM 0 HB2 GLN A 20 -11.869 -20.362 -3.491 1.00 35.55 H new ATOM 0 HB3 GLN A 20 -12.198 -22.027 -3.054 1.00 35.55 H new ATOM 0 HG2 GLN A 20 -11.144 -21.174 -5.774 1.00 50.13 H new ATOM 0 HG3 GLN A 20 -10.119 -21.672 -4.443 1.00 50.13 H new ATOM 0 HE21 GLN A 20 -12.401 -22.725 -6.900 1.00 63.12 H new ATOM 0 HE22 GLN A 20 -12.157 -24.459 -6.665 1.00 63.12 H new ATOM 357 N ALA A 21 -14.970 -20.142 -2.794 1.00 31.41 N ATOM 358 CA ALA A 21 -15.985 -20.087 -1.737 1.00 33.11 C ATOM 359 C ALA A 21 -17.394 -20.344 -2.297 1.00 31.43 C ATOM 360 O ALA A 21 -18.194 -21.059 -1.693 1.00 71.33 O ATOM 361 CB ALA A 21 -15.935 -18.738 -1.027 1.00 14.21 C ATOM 0 H ALA A 21 -14.564 -19.238 -3.035 1.00 31.41 H new ATOM 0 HA ALA A 21 -15.763 -20.876 -1.018 1.00 33.11 H new ATOM 0 HB1 ALA A 21 -16.693 -18.710 -0.245 1.00 14.21 H new ATOM 0 HB2 ALA A 21 -14.950 -18.597 -0.582 1.00 14.21 H new ATOM 0 HB3 ALA A 21 -16.126 -17.941 -1.746 1.00 14.21 H new ATOM 367 N THR A 22 -17.681 -19.769 -3.464 1.00 3.21 N ATOM 368 CA THR A 22 -19.002 -19.910 -4.103 1.00 50.13 C ATOM 369 C THR A 22 -19.082 -21.169 -4.977 1.00 54.35 C ATOM 370 O THR A 22 -20.172 -21.660 -5.287 1.00 40.20 O ATOM 371 CB THR A 22 -19.329 -18.687 -4.994 1.00 12.02 C ATOM 372 OG1 THR A 22 -18.449 -18.654 -6.130 1.00 1.03 O ATOM 373 CG2 THR A 22 -19.191 -17.387 -4.209 1.00 32.30 C ATOM 0 H THR A 22 -17.020 -19.199 -3.992 1.00 3.21 H new ATOM 0 HA THR A 22 -19.725 -19.985 -3.290 1.00 50.13 H new ATOM 0 HB THR A 22 -20.361 -18.783 -5.333 1.00 12.02 H new ATOM 0 HG1 THR A 22 -18.665 -17.878 -6.688 1.00 1.03 H new ATOM 0 HG21 THR A 22 -19.426 -16.543 -4.858 1.00 32.30 H new ATOM 0 HG22 THR A 22 -19.879 -17.398 -3.364 1.00 32.30 H new ATOM 0 HG23 THR A 22 -18.169 -17.290 -3.843 1.00 32.30 H new ATOM 381 N GLY A 23 -17.922 -21.684 -5.380 1.00 20.44 N ATOM 382 CA GLY A 23 -17.874 -22.845 -6.261 1.00 75.01 C ATOM 383 C GLY A 23 -18.224 -22.500 -7.704 1.00 71.22 C ATOM 384 O GLY A 23 -18.695 -23.353 -8.463 1.00 65.11 O ATOM 0 H GLY A 23 -17.009 -21.317 -5.112 1.00 20.44 H new ATOM 0 HA2 GLY A 23 -16.876 -23.281 -6.227 1.00 75.01 H new ATOM 0 HA3 GLY A 23 -18.566 -23.604 -5.895 1.00 75.01 H new ATOM 541 N GLY A 34 -3.474 -9.027 -17.737 1.00 72.14 N ATOM 542 CA GLY A 34 -4.317 -9.772 -18.674 1.00 63.22 C ATOM 543 C GLY A 34 -4.098 -11.290 -18.663 1.00 53.53 C ATOM 544 O GLY A 34 -4.403 -11.968 -17.676 1.00 30.52 O ATOM 0 HA2 GLY A 34 -5.362 -9.567 -18.443 1.00 63.22 H new ATOM 0 HA3 GLY A 34 -4.134 -9.399 -19.682 1.00 63.22 H new ATOM 548 N ALA A 35 -3.548 -11.813 -19.763 1.00 24.25 N ATOM 549 CA ALA A 35 -3.393 -13.262 -19.969 1.00 32.13 C ATOM 550 C ALA A 35 -2.639 -13.953 -18.821 1.00 5.12 C ATOM 551 O ALA A 35 -3.063 -15.003 -18.336 1.00 14.23 O ATOM 552 CB ALA A 35 -2.684 -13.525 -21.293 1.00 43.22 C ATOM 0 H ALA A 35 -3.197 -11.248 -20.536 1.00 24.25 H new ATOM 0 HA ALA A 35 -4.395 -13.690 -19.991 1.00 32.13 H new ATOM 0 HB1 ALA A 35 -2.573 -14.599 -21.439 1.00 43.22 H new ATOM 0 HB2 ALA A 35 -3.272 -13.107 -22.110 1.00 43.22 H new ATOM 0 HB3 ALA A 35 -1.700 -13.057 -21.278 1.00 43.22 H new ATOM 558 N THR A 36 -1.529 -13.359 -18.387 1.00 23.44 N ATOM 559 CA THR A 36 -0.713 -13.931 -17.303 1.00 52.54 C ATOM 560 C THR A 36 -1.551 -14.198 -16.047 1.00 24.15 C ATOM 561 O THR A 36 -1.539 -15.299 -15.496 1.00 13.12 O ATOM 562 CB THR A 36 0.463 -12.997 -16.919 1.00 62.32 C ATOM 563 OG1 THR A 36 1.331 -12.799 -18.044 1.00 1.41 O ATOM 564 CG2 THR A 36 1.261 -13.567 -15.749 1.00 73.20 C ATOM 0 H THR A 36 -1.169 -12.483 -18.765 1.00 23.44 H new ATOM 0 HA THR A 36 -0.319 -14.873 -17.684 1.00 52.54 H new ATOM 0 HB THR A 36 0.041 -12.039 -16.615 1.00 62.32 H new ATOM 0 HG1 THR A 36 1.953 -13.553 -18.114 1.00 1.41 H new ATOM 0 HG21 THR A 36 2.079 -12.890 -15.502 1.00 73.20 H new ATOM 0 HG22 THR A 36 0.608 -13.678 -14.883 1.00 73.20 H new ATOM 0 HG23 THR A 36 1.666 -14.541 -16.025 1.00 73.20 H new ATOM 572 N SER A 37 -2.287 -13.182 -15.609 1.00 30.43 N ATOM 573 CA SER A 37 -3.122 -13.293 -14.410 1.00 13.35 C ATOM 574 C SER A 37 -4.239 -14.336 -14.581 1.00 10.13 C ATOM 575 O SER A 37 -4.593 -15.032 -13.628 1.00 73.31 O ATOM 576 CB SER A 37 -3.723 -11.929 -14.045 1.00 34.42 C ATOM 577 OG SER A 37 -2.709 -10.979 -13.748 1.00 53.34 O ATOM 0 H SER A 37 -2.325 -12.270 -16.064 1.00 30.43 H new ATOM 0 HA SER A 37 -2.478 -13.629 -13.597 1.00 13.35 H new ATOM 0 HB2 SER A 37 -4.333 -11.566 -14.872 1.00 34.42 H new ATOM 0 HB3 SER A 37 -4.384 -12.039 -13.185 1.00 34.42 H new ATOM 0 HG SER A 37 -3.122 -10.120 -13.521 1.00 53.34 H new ATOM 583 N ARG A 38 -4.795 -14.451 -15.791 1.00 13.24 N ATOM 584 CA ARG A 38 -5.812 -15.477 -16.065 1.00 11.30 C ATOM 585 C ARG A 38 -5.213 -16.886 -15.971 1.00 11.41 C ATOM 586 O ARG A 38 -5.697 -17.728 -15.215 1.00 11.42 O ATOM 587 CB ARG A 38 -6.438 -15.298 -17.458 1.00 52.43 C ATOM 588 CG ARG A 38 -7.359 -16.462 -17.841 1.00 14.22 C ATOM 589 CD ARG A 38 -7.787 -16.427 -19.304 1.00 10.32 C ATOM 590 NE ARG A 38 -8.421 -17.686 -19.706 1.00 54.54 N ATOM 591 CZ ARG A 38 -8.822 -17.958 -20.918 1.00 60.01 C ATOM 592 NH1 ARG A 38 -8.678 -17.093 -21.870 1.00 75.43 N ATOM 593 NH2 ARG A 38 -9.359 -19.106 -21.178 1.00 5.01 N ATOM 0 H ARG A 38 -4.564 -13.857 -16.587 1.00 13.24 H new ATOM 0 HA ARG A 38 -6.588 -15.357 -15.309 1.00 11.30 H new ATOM 0 HB2 ARG A 38 -7.005 -14.367 -17.481 1.00 52.43 H new ATOM 0 HB3 ARG A 38 -5.645 -15.207 -18.200 1.00 52.43 H new ATOM 0 HG2 ARG A 38 -6.848 -17.404 -17.640 1.00 14.22 H new ATOM 0 HG3 ARG A 38 -8.246 -16.440 -17.208 1.00 14.22 H new ATOM 0 HD2 ARG A 38 -8.481 -15.602 -19.462 1.00 10.32 H new ATOM 0 HD3 ARG A 38 -6.918 -16.238 -19.934 1.00 10.32 H new ATOM 0 HE ARG A 38 -8.558 -18.399 -18.989 1.00 54.54 H new ATOM 0 HH11 ARG A 38 -8.248 -16.189 -21.677 1.00 75.43 H new ATOM 0 HH12 ARG A 38 -8.995 -17.316 -22.814 1.00 75.43 H new ATOM 0 HH21 ARG A 38 -9.469 -19.797 -20.436 1.00 5.01 H new ATOM 0 HH22 ARG A 38 -9.673 -19.320 -22.125 1.00 5.01 H new ATOM 607 N LYS A 39 -4.157 -17.127 -16.748 1.00 33.40 N ATOM 608 CA LYS A 39 -3.502 -18.438 -16.800 1.00 13.53 C ATOM 609 C LYS A 39 -3.055 -18.894 -15.407 1.00 13.23 C ATOM 610 O LYS A 39 -3.218 -20.058 -15.041 1.00 71.13 O ATOM 611 CB LYS A 39 -2.308 -18.382 -17.759 1.00 65.24 C ATOM 612 CG LYS A 39 -2.704 -18.055 -19.197 1.00 33.32 C ATOM 613 CD LYS A 39 -1.490 -17.823 -20.089 1.00 1.34 C ATOM 614 CE LYS A 39 -0.588 -19.048 -20.153 1.00 11.41 C ATOM 615 NZ LYS A 39 0.517 -18.875 -21.130 1.00 61.03 N ATOM 0 H LYS A 39 -3.733 -16.426 -17.356 1.00 33.40 H new ATOM 0 HA LYS A 39 -4.222 -19.169 -17.168 1.00 13.53 H new ATOM 0 HB2 LYS A 39 -1.601 -17.632 -17.405 1.00 65.24 H new ATOM 0 HB3 LYS A 39 -1.791 -19.341 -17.741 1.00 65.24 H new ATOM 0 HG2 LYS A 39 -3.300 -18.872 -19.603 1.00 33.32 H new ATOM 0 HG3 LYS A 39 -3.334 -17.166 -19.205 1.00 33.32 H new ATOM 0 HD2 LYS A 39 -1.823 -17.565 -21.094 1.00 1.34 H new ATOM 0 HD3 LYS A 39 -0.921 -16.973 -19.713 1.00 1.34 H new ATOM 0 HE2 LYS A 39 -0.171 -19.243 -19.165 1.00 11.41 H new ATOM 0 HE3 LYS A 39 -1.181 -19.921 -20.427 1.00 11.41 H new ATOM 0 HZ1 LYS A 39 1.107 -19.731 -21.142 1.00 61.03 H new ATOM 0 HZ2 LYS A 39 0.120 -18.714 -22.078 1.00 61.03 H new ATOM 0 HZ3 LYS A 39 1.099 -18.058 -20.855 1.00 61.03 H new ATOM 629 N ALA A 40 -2.497 -17.968 -14.635 1.00 11.21 N ATOM 630 CA ALA A 40 -2.136 -18.240 -13.241 1.00 4.32 C ATOM 631 C ALA A 40 -3.370 -18.649 -12.413 1.00 33.23 C ATOM 632 O ALA A 40 -3.327 -19.623 -11.661 1.00 5.23 O ATOM 633 CB ALA A 40 -1.465 -17.018 -12.626 1.00 61.34 C ATOM 0 H ALA A 40 -2.283 -17.021 -14.947 1.00 11.21 H new ATOM 0 HA ALA A 40 -1.435 -19.075 -13.229 1.00 4.32 H new ATOM 0 HB1 ALA A 40 -1.201 -17.231 -11.590 1.00 61.34 H new ATOM 0 HB2 ALA A 40 -0.563 -16.777 -13.188 1.00 61.34 H new ATOM 0 HB3 ALA A 40 -2.151 -16.171 -12.659 1.00 61.34 H new ATOM 639 N LEU A 41 -4.470 -17.909 -12.575 1.00 15.40 N ATOM 640 CA LEU A 41 -5.714 -18.183 -11.836 1.00 32.14 C ATOM 641 C LEU A 41 -6.286 -19.575 -12.166 1.00 41.24 C ATOM 642 O LEU A 41 -6.515 -20.394 -11.272 1.00 31.50 O ATOM 643 CB LEU A 41 -6.767 -17.106 -12.153 1.00 1.40 C ATOM 644 CG LEU A 41 -8.118 -17.267 -11.429 1.00 4.44 C ATOM 645 CD1 LEU A 41 -7.939 -17.143 -9.922 1.00 41.21 C ATOM 646 CD2 LEU A 41 -9.137 -16.245 -11.932 1.00 63.34 C ATOM 0 H LEU A 41 -4.528 -17.114 -13.211 1.00 15.40 H new ATOM 0 HA LEU A 41 -5.471 -18.163 -10.774 1.00 32.14 H new ATOM 0 HB2 LEU A 41 -6.352 -16.131 -11.899 1.00 1.40 H new ATOM 0 HB3 LEU A 41 -6.948 -17.105 -13.228 1.00 1.40 H new ATOM 0 HG LEU A 41 -8.500 -18.263 -11.652 1.00 4.44 H new ATOM 0 HD11 LEU A 41 -8.905 -17.260 -9.430 1.00 41.21 H new ATOM 0 HD12 LEU A 41 -7.257 -17.918 -9.572 1.00 41.21 H new ATOM 0 HD13 LEU A 41 -7.527 -16.162 -9.684 1.00 41.21 H new ATOM 0 HD21 LEU A 41 -10.081 -16.382 -11.404 1.00 63.34 H new ATOM 0 HD22 LEU A 41 -8.762 -15.238 -11.750 1.00 63.34 H new ATOM 0 HD23 LEU A 41 -9.296 -16.386 -13.001 1.00 63.34 H new ATOM 658 N GLU A 42 -6.505 -19.845 -13.451 1.00 70.02 N ATOM 659 CA GLU A 42 -7.084 -21.123 -13.880 1.00 61.14 C ATOM 660 C GLU A 42 -6.135 -22.302 -13.611 1.00 3.33 C ATOM 661 O GLU A 42 -6.581 -23.422 -13.359 1.00 73.23 O ATOM 662 CB GLU A 42 -7.475 -21.074 -15.364 1.00 61.42 C ATOM 663 CG GLU A 42 -6.345 -20.661 -16.299 1.00 61.34 C ATOM 664 CD GLU A 42 -6.727 -20.773 -17.767 1.00 45.11 C ATOM 665 OE1 GLU A 42 -7.602 -20.004 -18.224 1.00 24.11 O ATOM 666 OE2 GLU A 42 -6.148 -21.632 -18.468 1.00 1.01 O ATOM 0 H GLU A 42 -6.292 -19.201 -14.213 1.00 70.02 H new ATOM 0 HA GLU A 42 -7.984 -21.285 -13.287 1.00 61.14 H new ATOM 0 HB2 GLU A 42 -7.838 -22.057 -15.664 1.00 61.42 H new ATOM 0 HB3 GLU A 42 -8.304 -20.377 -15.486 1.00 61.42 H new ATOM 0 HG2 GLU A 42 -6.056 -19.633 -16.081 1.00 61.34 H new ATOM 0 HG3 GLU A 42 -5.473 -21.286 -16.106 1.00 61.34 H new ATOM 673 N THR A 43 -4.827 -22.056 -13.661 1.00 23.45 N ATOM 674 CA THR A 43 -3.851 -23.089 -13.300 1.00 15.22 C ATOM 675 C THR A 43 -3.890 -23.370 -11.795 1.00 64.13 C ATOM 676 O THR A 43 -3.837 -24.526 -11.374 1.00 54.22 O ATOM 677 CB THR A 43 -2.415 -22.722 -13.741 1.00 41.01 C ATOM 678 OG1 THR A 43 -2.381 -22.564 -15.169 1.00 23.23 O ATOM 679 CG2 THR A 43 -1.411 -23.801 -13.334 1.00 34.41 C ATOM 0 H THR A 43 -4.420 -21.164 -13.943 1.00 23.45 H new ATOM 0 HA THR A 43 -4.134 -23.993 -13.838 1.00 15.22 H new ATOM 0 HB THR A 43 -2.137 -21.791 -13.247 1.00 41.01 H new ATOM 0 HG1 THR A 43 -2.400 -21.610 -15.393 1.00 23.23 H new ATOM 0 HG21 THR A 43 -0.412 -23.510 -13.660 1.00 34.41 H new ATOM 0 HG22 THR A 43 -1.420 -23.916 -12.250 1.00 34.41 H new ATOM 0 HG23 THR A 43 -1.684 -24.747 -13.802 1.00 34.41 H new ATOM 687 N LEU A 44 -4.015 -22.313 -10.989 1.00 63.51 N ATOM 688 CA LEU A 44 -4.252 -22.465 -9.545 1.00 40.44 C ATOM 689 C LEU A 44 -5.475 -23.352 -9.290 1.00 62.12 C ATOM 690 O LEU A 44 -5.506 -24.136 -8.348 1.00 63.12 O ATOM 691 CB LEU A 44 -4.461 -21.096 -8.876 1.00 31.14 C ATOM 692 CG LEU A 44 -3.179 -20.322 -8.540 1.00 4.32 C ATOM 693 CD1 LEU A 44 -3.513 -18.933 -8.006 1.00 74.40 C ATOM 694 CD2 LEU A 44 -2.342 -21.101 -7.528 1.00 51.51 C ATOM 0 H LEU A 44 -3.957 -21.345 -11.306 1.00 63.51 H new ATOM 0 HA LEU A 44 -3.371 -22.938 -9.112 1.00 40.44 H new ATOM 0 HB2 LEU A 44 -5.075 -20.480 -9.533 1.00 31.14 H new ATOM 0 HB3 LEU A 44 -5.027 -21.243 -7.956 1.00 31.14 H new ATOM 0 HG LEU A 44 -2.597 -20.203 -9.454 1.00 4.32 H new ATOM 0 HD11 LEU A 44 -2.590 -18.401 -7.774 1.00 74.40 H new ATOM 0 HD12 LEU A 44 -4.072 -18.378 -8.759 1.00 74.40 H new ATOM 0 HD13 LEU A 44 -4.115 -19.026 -7.102 1.00 74.40 H new ATOM 0 HD21 LEU A 44 -1.435 -20.541 -7.298 1.00 51.51 H new ATOM 0 HD22 LEU A 44 -2.919 -21.248 -6.615 1.00 51.51 H new ATOM 0 HD23 LEU A 44 -2.073 -22.070 -7.948 1.00 51.51 H new ATOM 706 N ARG A 45 -6.486 -23.209 -10.134 1.00 31.43 N ATOM 707 CA ARG A 45 -7.666 -24.039 -10.081 1.00 24.41 C ATOM 708 C ARG A 45 -7.356 -25.498 -10.477 1.00 53.04 C ATOM 709 O ARG A 45 -7.649 -26.430 -9.726 1.00 42.02 O ATOM 710 CB ARG A 45 -8.705 -23.432 -11.024 1.00 72.10 C ATOM 711 CG ARG A 45 -10.037 -24.128 -10.980 1.00 44.41 C ATOM 712 CD ARG A 45 -11.004 -23.569 -12.021 1.00 32.14 C ATOM 713 NE ARG A 45 -11.229 -22.134 -11.847 1.00 5.02 N ATOM 714 CZ ARG A 45 -11.281 -21.263 -12.822 1.00 43.41 C ATOM 715 NH1 ARG A 45 -11.096 -21.630 -14.056 1.00 24.14 N ATOM 716 NH2 ARG A 45 -11.508 -20.018 -12.554 1.00 1.42 N ATOM 0 H ARG A 45 -6.505 -22.509 -10.876 1.00 31.43 H new ATOM 0 HA ARG A 45 -8.046 -24.069 -9.060 1.00 24.41 H new ATOM 0 HB2 ARG A 45 -8.845 -22.381 -10.769 1.00 72.10 H new ATOM 0 HB3 ARG A 45 -8.321 -23.464 -12.044 1.00 72.10 H new ATOM 0 HG2 ARG A 45 -9.895 -25.195 -11.152 1.00 44.41 H new ATOM 0 HG3 ARG A 45 -10.471 -24.020 -9.986 1.00 44.41 H new ATOM 0 HD2 ARG A 45 -10.609 -23.755 -13.020 1.00 32.14 H new ATOM 0 HD3 ARG A 45 -11.956 -24.096 -11.951 1.00 32.14 H new ATOM 0 HE ARG A 45 -11.355 -21.787 -10.896 1.00 5.02 H new ATOM 0 HH11 ARG A 45 -10.907 -22.608 -14.274 1.00 24.14 H new ATOM 0 HH12 ARG A 45 -11.140 -20.939 -14.805 1.00 24.14 H new ATOM 0 HH21 ARG A 45 -11.645 -19.721 -11.588 1.00 1.42 H new ATOM 0 HH22 ARG A 45 -11.550 -19.333 -13.309 1.00 1.42 H new ATOM 730 N ARG A 46 -6.728 -25.679 -11.643 1.00 61.03 N ATOM 731 CA ARG A 46 -6.509 -27.018 -12.213 1.00 3.02 C ATOM 732 C ARG A 46 -5.545 -27.874 -11.365 1.00 33.23 C ATOM 733 O ARG A 46 -5.538 -29.101 -11.476 1.00 5.04 O ATOM 734 CB ARG A 46 -5.990 -26.907 -13.662 1.00 44.55 C ATOM 735 CG ARG A 46 -4.472 -26.755 -13.791 1.00 32.14 C ATOM 736 CD ARG A 46 -4.030 -26.577 -15.248 1.00 20.14 C ATOM 737 NE ARG A 46 -3.998 -25.169 -15.656 1.00 31.11 N ATOM 738 CZ ARG A 46 -4.824 -24.612 -16.504 1.00 35.14 C ATOM 739 NH1 ARG A 46 -5.787 -25.287 -17.044 1.00 43.45 N ATOM 740 NH2 ARG A 46 -4.670 -23.365 -16.814 1.00 55.42 N ATOM 0 H ARG A 46 -6.361 -24.917 -12.213 1.00 61.03 H new ATOM 0 HA ARG A 46 -7.474 -27.525 -12.210 1.00 3.02 H new ATOM 0 HB2 ARG A 46 -6.300 -27.795 -14.213 1.00 44.55 H new ATOM 0 HB3 ARG A 46 -6.468 -26.052 -14.140 1.00 44.55 H new ATOM 0 HG2 ARG A 46 -4.143 -25.896 -13.206 1.00 32.14 H new ATOM 0 HG3 ARG A 46 -3.983 -27.633 -13.370 1.00 32.14 H new ATOM 0 HD2 ARG A 46 -3.040 -27.013 -15.380 1.00 20.14 H new ATOM 0 HD3 ARG A 46 -4.709 -27.126 -15.900 1.00 20.14 H new ATOM 0 HE ARG A 46 -3.275 -24.577 -15.247 1.00 31.11 H new ATOM 0 HH11 ARG A 46 -5.913 -26.272 -16.811 1.00 43.45 H new ATOM 0 HH12 ARG A 46 -6.420 -24.834 -17.703 1.00 43.45 H new ATOM 0 HH21 ARG A 46 -3.910 -22.826 -16.398 1.00 55.42 H new ATOM 0 HH22 ARG A 46 -5.308 -22.921 -17.474 1.00 55.42 H new ATOM 754 N VAL A 47 -4.712 -27.232 -10.542 1.00 10.22 N ATOM 755 CA VAL A 47 -3.815 -27.967 -9.631 1.00 34.33 C ATOM 756 C VAL A 47 -4.239 -27.811 -8.158 1.00 72.21 C ATOM 757 O VAL A 47 -4.102 -28.741 -7.361 1.00 64.43 O ATOM 758 CB VAL A 47 -2.333 -27.516 -9.783 1.00 33.43 C ATOM 759 CG1 VAL A 47 -1.851 -27.696 -11.222 1.00 71.33 C ATOM 760 CG2 VAL A 47 -2.140 -26.071 -9.319 1.00 71.12 C ATOM 0 H VAL A 47 -4.636 -26.217 -10.483 1.00 10.22 H new ATOM 0 HA VAL A 47 -3.896 -29.016 -9.915 1.00 34.33 H new ATOM 0 HB VAL A 47 -1.726 -28.154 -9.140 1.00 33.43 H new ATOM 0 HG11 VAL A 47 -0.813 -27.374 -11.301 1.00 71.33 H new ATOM 0 HG12 VAL A 47 -1.927 -28.747 -11.502 1.00 71.33 H new ATOM 0 HG13 VAL A 47 -2.469 -27.096 -11.890 1.00 71.33 H new ATOM 0 HG21 VAL A 47 -1.094 -25.787 -9.438 1.00 71.12 H new ATOM 0 HG22 VAL A 47 -2.766 -25.410 -9.918 1.00 71.12 H new ATOM 0 HG23 VAL A 47 -2.422 -25.985 -8.270 1.00 71.12 H new ATOM 770 N GLY A 48 -4.776 -26.643 -7.814 1.00 44.24 N ATOM 771 CA GLY A 48 -5.134 -26.346 -6.430 1.00 61.45 C ATOM 772 C GLY A 48 -6.318 -27.150 -5.912 1.00 31.54 C ATOM 773 O GLY A 48 -6.379 -27.468 -4.723 1.00 43.00 O ATOM 0 H GLY A 48 -4.972 -25.889 -8.472 1.00 44.24 H new ATOM 0 HA2 GLY A 48 -4.271 -26.538 -5.793 1.00 61.45 H new ATOM 0 HA3 GLY A 48 -5.364 -25.284 -6.345 1.00 61.45 H new ATOM 777 N ASP A 49 -7.269 -27.474 -6.787 1.00 2.04 N ATOM 778 CA ASP A 49 -8.429 -28.273 -6.387 1.00 74.02 C ATOM 779 C ASP A 49 -7.990 -29.665 -5.897 1.00 22.24 C ATOM 780 O ASP A 49 -8.357 -30.091 -4.798 1.00 21.10 O ATOM 781 CB ASP A 49 -9.422 -28.402 -7.547 1.00 74.01 C ATOM 782 CG ASP A 49 -10.710 -29.085 -7.122 1.00 1.41 C ATOM 783 OD1 ASP A 49 -11.536 -28.436 -6.443 1.00 72.43 O ATOM 784 OD2 ASP A 49 -10.901 -30.279 -7.448 1.00 32.32 O ATOM 0 H ASP A 49 -7.261 -27.199 -7.769 1.00 2.04 H new ATOM 0 HA ASP A 49 -8.926 -27.761 -5.563 1.00 74.02 H new ATOM 0 HB2 ASP A 49 -9.650 -27.411 -7.940 1.00 74.01 H new ATOM 0 HB3 ASP A 49 -8.962 -28.968 -8.357 1.00 74.01 H new ATOM 789 N GLY A 50 -7.194 -30.358 -6.714 1.00 14.43 N ATOM 790 CA GLY A 50 -6.659 -31.663 -6.332 1.00 1.10 C ATOM 791 C GLY A 50 -5.832 -31.616 -5.048 1.00 65.33 C ATOM 792 O GLY A 50 -5.940 -32.504 -4.197 1.00 43.22 O ATOM 0 H GLY A 50 -6.908 -30.038 -7.639 1.00 14.43 H new ATOM 0 HA2 GLY A 50 -7.484 -32.364 -6.201 1.00 1.10 H new ATOM 0 HA3 GLY A 50 -6.040 -32.047 -7.143 1.00 1.10 H new ATOM 796 N VAL A 51 -5.007 -30.577 -4.906 1.00 33.34 N ATOM 797 CA VAL A 51 -4.230 -30.365 -3.676 1.00 52.53 C ATOM 798 C VAL A 51 -5.154 -30.207 -2.459 1.00 63.03 C ATOM 799 O VAL A 51 -4.969 -30.870 -1.435 1.00 42.11 O ATOM 800 CB VAL A 51 -3.307 -29.119 -3.797 1.00 74.23 C ATOM 801 CG1 VAL A 51 -2.614 -28.799 -2.470 1.00 10.51 C ATOM 802 CG2 VAL A 51 -2.274 -29.320 -4.905 1.00 14.44 C ATOM 0 H VAL A 51 -4.857 -29.868 -5.624 1.00 33.34 H new ATOM 0 HA VAL A 51 -3.607 -31.248 -3.534 1.00 52.53 H new ATOM 0 HB VAL A 51 -3.937 -28.268 -4.055 1.00 74.23 H new ATOM 0 HG11 VAL A 51 -1.978 -27.923 -2.594 1.00 10.51 H new ATOM 0 HG12 VAL A 51 -3.365 -28.597 -1.707 1.00 10.51 H new ATOM 0 HG13 VAL A 51 -2.005 -29.649 -2.163 1.00 10.51 H new ATOM 0 HG21 VAL A 51 -1.638 -28.438 -4.974 1.00 14.44 H new ATOM 0 HG22 VAL A 51 -1.661 -30.192 -4.677 1.00 14.44 H new ATOM 0 HG23 VAL A 51 -2.785 -29.474 -5.855 1.00 14.44 H new ATOM 812 N GLN A 52 -6.156 -29.337 -2.580 1.00 31.32 N ATOM 813 CA GLN A 52 -7.143 -29.139 -1.512 1.00 32.41 C ATOM 814 C GLN A 52 -7.847 -30.451 -1.147 1.00 22.22 C ATOM 815 O GLN A 52 -8.149 -30.687 0.015 1.00 34.31 O ATOM 816 CB GLN A 52 -8.182 -28.084 -1.921 1.00 52.03 C ATOM 817 CG GLN A 52 -7.652 -26.656 -1.897 1.00 31.33 C ATOM 818 CD GLN A 52 -8.627 -25.656 -2.494 1.00 33.11 C ATOM 819 OE1 GLN A 52 -9.482 -25.106 -1.804 1.00 45.24 O ATOM 820 NE2 GLN A 52 -8.501 -25.408 -3.782 1.00 31.34 N ATOM 0 H GLN A 52 -6.308 -28.757 -3.405 1.00 31.32 H new ATOM 0 HA GLN A 52 -6.604 -28.785 -0.633 1.00 32.41 H new ATOM 0 HB2 GLN A 52 -8.541 -28.311 -2.925 1.00 52.03 H new ATOM 0 HB3 GLN A 52 -9.040 -28.154 -1.252 1.00 52.03 H new ATOM 0 HG2 GLN A 52 -7.432 -26.372 -0.868 1.00 31.33 H new ATOM 0 HG3 GLN A 52 -6.712 -26.613 -2.447 1.00 31.33 H new ATOM 0 HE21 GLN A 52 -7.780 -25.883 -4.325 1.00 31.34 H new ATOM 0 HE22 GLN A 52 -9.125 -24.741 -4.236 1.00 31.34 H new ATOM 829 N ARG A 53 -8.096 -31.303 -2.141 1.00 5.31 N ATOM 830 CA ARG A 53 -8.737 -32.604 -1.902 1.00 40.42 C ATOM 831 C ARG A 53 -7.936 -33.464 -0.907 1.00 13.52 C ATOM 832 O ARG A 53 -8.438 -33.830 0.157 1.00 34.01 O ATOM 833 CB ARG A 53 -8.911 -33.369 -3.223 1.00 40.10 C ATOM 834 CG ARG A 53 -9.883 -32.719 -4.204 1.00 32.00 C ATOM 835 CD ARG A 53 -11.299 -32.641 -3.640 1.00 15.21 C ATOM 836 NE ARG A 53 -11.810 -33.956 -3.259 1.00 42.15 N ATOM 837 CZ ARG A 53 -12.957 -34.443 -3.641 1.00 33.42 C ATOM 838 NH1 ARG A 53 -13.735 -33.772 -4.430 1.00 22.43 N ATOM 839 NH2 ARG A 53 -13.316 -35.612 -3.231 1.00 31.44 N ATOM 0 H ARG A 53 -7.866 -31.120 -3.118 1.00 5.31 H new ATOM 0 HA ARG A 53 -9.716 -32.405 -1.465 1.00 40.42 H new ATOM 0 HB2 ARG A 53 -7.938 -33.465 -3.704 1.00 40.10 H new ATOM 0 HB3 ARG A 53 -9.258 -34.378 -3.001 1.00 40.10 H new ATOM 0 HG2 ARG A 53 -9.534 -31.716 -4.448 1.00 32.00 H new ATOM 0 HG3 ARG A 53 -9.894 -33.288 -5.134 1.00 32.00 H new ATOM 0 HD2 ARG A 53 -11.307 -31.983 -2.771 1.00 15.21 H new ATOM 0 HD3 ARG A 53 -11.961 -32.196 -4.383 1.00 15.21 H new ATOM 0 HE ARG A 53 -11.228 -34.533 -2.652 1.00 42.15 H new ATOM 0 HH11 ARG A 53 -13.453 -32.849 -4.761 1.00 22.43 H new ATOM 0 HH12 ARG A 53 -14.630 -34.166 -4.720 1.00 22.43 H new ATOM 0 HH21 ARG A 53 -12.704 -36.146 -2.614 1.00 31.44 H new ATOM 0 HH22 ARG A 53 -14.212 -36.002 -3.524 1.00 31.44 H new ATOM 853 N ASN A 54 -6.683 -33.769 -1.247 1.00 52.21 N ATOM 854 CA ASN A 54 -5.855 -34.651 -0.410 1.00 42.22 C ATOM 855 C ASN A 54 -5.353 -33.940 0.861 1.00 43.33 C ATOM 856 O ASN A 54 -4.951 -34.588 1.829 1.00 51.33 O ATOM 857 CB ASN A 54 -4.675 -35.215 -1.219 1.00 2.44 C ATOM 858 CG ASN A 54 -3.658 -34.167 -1.626 1.00 73.33 C ATOM 859 OD1 ASN A 54 -3.836 -33.581 -2.791 1.00 42.23 O flip ATOM 860 ND2 ASN A 54 -2.715 -33.886 -0.898 1.00 31.44 N flip ATOM 0 H ASN A 54 -6.219 -33.424 -2.087 1.00 52.21 H new ATOM 0 HA ASN A 54 -6.487 -35.479 -0.088 1.00 42.22 H new ATOM 0 HB2 ASN A 54 -4.175 -35.983 -0.629 1.00 2.44 H new ATOM 0 HB3 ASN A 54 -5.060 -35.702 -2.115 1.00 2.44 H new ATOM 0 HD21 ASN A 54 -2.605 -34.358 -0.001 1.00 31.44 H new ATOM 0 HD22 ASN A 54 -2.039 -33.179 -1.189 1.00 31.44 H new ATOM 867 N HIS A 55 -5.368 -32.607 0.854 1.00 0.23 N ATOM 868 CA HIS A 55 -4.978 -31.825 2.035 1.00 23.04 C ATOM 869 C HIS A 55 -6.173 -31.503 2.950 1.00 43.25 C ATOM 870 O HIS A 55 -5.984 -31.247 4.134 1.00 71.53 O ATOM 871 CB HIS A 55 -4.272 -30.526 1.625 1.00 54.33 C ATOM 872 CG HIS A 55 -2.856 -30.716 1.170 1.00 63.45 C ATOM 873 ND1 HIS A 55 -2.352 -31.212 0.018 1.00 53.42 N flip ATOM 874 CD2 HIS A 55 -1.763 -30.363 1.935 1.00 1.41 C flip ATOM 875 CE1 HIS A 55 -0.985 -31.144 0.109 1.00 54.00 C flip ATOM 876 NE2 HIS A 55 -0.657 -30.630 1.272 1.00 22.14 N flip ATOM 0 H HIS A 55 -5.644 -32.045 0.049 1.00 0.23 H new ATOM 0 HA HIS A 55 -4.286 -32.448 2.602 1.00 23.04 H new ATOM 0 HB2 HIS A 55 -4.840 -30.054 0.823 1.00 54.33 H new ATOM 0 HB3 HIS A 55 -4.281 -29.838 2.470 1.00 54.33 H new ATOM 0 HD2 HIS A 55 -1.808 -29.934 2.925 1.00 1.41 H new ATOM 0 HE1 HIS A 55 -0.290 -31.462 -0.654 1.00 54.00 H new ATOM 0 HE2 HIS A 55 0.293 -30.466 1.605 1.00 22.14 H new ATOM 885 N GLU A 56 -7.394 -31.518 2.409 1.00 34.40 N ATOM 886 CA GLU A 56 -8.594 -31.157 3.186 1.00 45.43 C ATOM 887 C GLU A 56 -8.714 -31.988 4.467 1.00 2.11 C ATOM 888 O GLU A 56 -8.866 -31.442 5.561 1.00 41.02 O ATOM 889 CB GLU A 56 -9.866 -31.318 2.337 1.00 20.13 C ATOM 890 CG GLU A 56 -11.151 -30.991 3.094 1.00 15.02 C ATOM 891 CD GLU A 56 -12.353 -30.804 2.179 1.00 64.52 C ATOM 892 OE1 GLU A 56 -13.047 -31.798 1.882 1.00 1.22 O ATOM 893 OE2 GLU A 56 -12.610 -29.654 1.758 1.00 21.12 O ATOM 0 H GLU A 56 -7.583 -31.775 1.440 1.00 34.40 H new ATOM 0 HA GLU A 56 -8.486 -30.110 3.471 1.00 45.43 H new ATOM 0 HB2 GLU A 56 -9.794 -30.670 1.463 1.00 20.13 H new ATOM 0 HB3 GLU A 56 -9.921 -32.343 1.970 1.00 20.13 H new ATOM 0 HG2 GLU A 56 -11.362 -31.792 3.802 1.00 15.02 H new ATOM 0 HG3 GLU A 56 -11.001 -30.082 3.677 1.00 15.02 H new ATOM 900 N THR A 57 -8.631 -33.308 4.322 1.00 72.12 N ATOM 901 CA THR A 57 -8.698 -34.225 5.470 1.00 24.24 C ATOM 902 C THR A 57 -7.670 -33.856 6.557 1.00 55.15 C ATOM 903 O THR A 57 -7.892 -34.085 7.746 1.00 73.44 O ATOM 904 CB THR A 57 -8.475 -35.695 5.031 1.00 44.15 C ATOM 905 OG1 THR A 57 -8.523 -36.570 6.169 1.00 25.31 O ATOM 906 CG2 THR A 57 -7.140 -35.862 4.309 1.00 33.51 C ATOM 0 H THR A 57 -8.517 -33.773 3.421 1.00 72.12 H new ATOM 0 HA THR A 57 -9.699 -34.125 5.889 1.00 24.24 H new ATOM 0 HB THR A 57 -9.275 -35.959 4.339 1.00 44.15 H new ATOM 0 HG1 THR A 57 -8.382 -37.495 5.877 1.00 25.31 H new ATOM 0 HG21 THR A 57 -7.014 -36.904 4.014 1.00 33.51 H new ATOM 0 HG22 THR A 57 -7.125 -35.229 3.422 1.00 33.51 H new ATOM 0 HG23 THR A 57 -6.327 -35.572 4.975 1.00 33.51 H new ATOM 914 N ALA A 58 -6.547 -33.274 6.135 1.00 72.53 N ATOM 915 CA ALA A 58 -5.507 -32.814 7.061 1.00 73.10 C ATOM 916 C ALA A 58 -5.850 -31.438 7.658 1.00 52.22 C ATOM 917 O ALA A 58 -5.880 -31.263 8.880 1.00 42.11 O ATOM 918 CB ALA A 58 -4.162 -32.760 6.339 1.00 71.53 C ATOM 0 H ALA A 58 -6.332 -33.108 5.152 1.00 72.53 H new ATOM 0 HA ALA A 58 -5.448 -33.524 7.886 1.00 73.10 H new ATOM 0 HB1 ALA A 58 -3.392 -32.418 7.030 1.00 71.53 H new ATOM 0 HB2 ALA A 58 -3.905 -33.754 5.973 1.00 71.53 H new ATOM 0 HB3 ALA A 58 -4.228 -32.069 5.498 1.00 71.53 H new ATOM 924 N PHE A 59 -6.121 -30.469 6.782 1.00 74.34 N ATOM 925 CA PHE A 59 -6.416 -29.091 7.191 1.00 22.14 C ATOM 926 C PHE A 59 -7.638 -29.002 8.124 1.00 20.23 C ATOM 927 O PHE A 59 -7.710 -28.106 8.963 1.00 51.12 O ATOM 928 CB PHE A 59 -6.640 -28.198 5.959 1.00 10.10 C ATOM 929 CG PHE A 59 -5.397 -27.908 5.143 1.00 73.43 C ATOM 930 CD1 PHE A 59 -4.157 -27.763 5.756 1.00 11.01 C ATOM 931 CD2 PHE A 59 -5.475 -27.747 3.762 1.00 52.34 C ATOM 932 CE1 PHE A 59 -3.027 -27.467 5.011 1.00 31.33 C ATOM 933 CE2 PHE A 59 -4.346 -27.454 3.018 1.00 71.42 C ATOM 934 CZ PHE A 59 -3.123 -27.315 3.642 1.00 53.14 C ATOM 0 H PHE A 59 -6.143 -30.614 5.773 1.00 74.34 H new ATOM 0 HA PHE A 59 -5.548 -28.738 7.748 1.00 22.14 H new ATOM 0 HB2 PHE A 59 -7.377 -28.675 5.313 1.00 10.10 H new ATOM 0 HB3 PHE A 59 -7.069 -27.252 6.288 1.00 10.10 H new ATOM 0 HD1 PHE A 59 -4.074 -27.883 6.826 1.00 11.01 H new ATOM 0 HD2 PHE A 59 -6.428 -27.852 3.266 1.00 52.34 H new ATOM 0 HE1 PHE A 59 -2.071 -27.355 5.501 1.00 31.33 H new ATOM 0 HE2 PHE A 59 -4.422 -27.334 1.947 1.00 71.42 H new ATOM 0 HZ PHE A 59 -2.242 -27.088 3.060 1.00 53.14 H new ATOM 944 N GLN A 60 -8.597 -29.922 7.975 1.00 53.11 N ATOM 945 CA GLN A 60 -9.776 -29.966 8.860 1.00 64.40 C ATOM 946 C GLN A 60 -9.366 -29.954 10.342 1.00 21.24 C ATOM 947 O GLN A 60 -9.981 -29.269 11.166 1.00 12.32 O ATOM 948 CB GLN A 60 -10.629 -31.213 8.566 1.00 75.25 C ATOM 949 CG GLN A 60 -11.464 -31.121 7.289 1.00 22.43 C ATOM 950 CD GLN A 60 -12.561 -30.068 7.371 1.00 4.43 C ATOM 951 OE1 GLN A 60 -13.082 -29.775 8.444 1.00 72.13 O ATOM 952 NE2 GLN A 60 -12.930 -29.500 6.241 1.00 50.35 N ATOM 0 H GLN A 60 -8.585 -30.645 7.255 1.00 53.11 H new ATOM 0 HA GLN A 60 -10.368 -29.073 8.660 1.00 64.40 H new ATOM 0 HB2 GLN A 60 -9.971 -32.079 8.494 1.00 75.25 H new ATOM 0 HB3 GLN A 60 -11.296 -31.389 9.410 1.00 75.25 H new ATOM 0 HG2 GLN A 60 -10.809 -30.891 6.449 1.00 22.43 H new ATOM 0 HG3 GLN A 60 -11.915 -32.092 7.085 1.00 22.43 H new ATOM 0 HE21 GLN A 60 -12.478 -29.765 5.366 1.00 50.35 H new ATOM 0 HE22 GLN A 60 -13.668 -28.795 6.241 1.00 50.35 H new ATOM 961 N GLY A 61 -8.312 -30.701 10.667 1.00 75.14 N ATOM 962 CA GLY A 61 -7.807 -30.741 12.035 1.00 34.22 C ATOM 963 C GLY A 61 -7.319 -29.383 12.535 1.00 62.24 C ATOM 964 O GLY A 61 -7.362 -29.100 13.731 1.00 22.31 O ATOM 0 H GLY A 61 -7.796 -31.282 10.006 1.00 75.14 H new ATOM 0 HA2 GLY A 61 -8.595 -31.103 12.696 1.00 34.22 H new ATOM 0 HA3 GLY A 61 -6.988 -31.458 12.093 1.00 34.22 H new ATOM 968 N MET A 62 -6.861 -28.540 11.612 1.00 3.21 N ATOM 969 CA MET A 62 -6.381 -27.197 11.949 1.00 40.12 C ATOM 970 C MET A 62 -7.538 -26.189 11.900 1.00 23.34 C ATOM 971 O MET A 62 -7.594 -25.239 12.681 1.00 53.32 O ATOM 972 CB MET A 62 -5.274 -26.779 10.970 1.00 65.21 C ATOM 973 CG MET A 62 -4.063 -27.706 10.975 1.00 71.33 C ATOM 974 SD MET A 62 -2.853 -27.279 9.704 1.00 32.13 S ATOM 975 CE MET A 62 -2.451 -25.590 10.153 1.00 63.43 C ATOM 0 H MET A 62 -6.811 -28.763 10.618 1.00 3.21 H new ATOM 0 HA MET A 62 -5.976 -27.211 12.961 1.00 40.12 H new ATOM 0 HB2 MET A 62 -5.688 -26.743 9.962 1.00 65.21 H new ATOM 0 HB3 MET A 62 -4.947 -25.769 11.216 1.00 65.21 H new ATOM 0 HG2 MET A 62 -3.585 -27.667 11.954 1.00 71.33 H new ATOM 0 HG3 MET A 62 -4.396 -28.733 10.824 1.00 71.33 H new ATOM 0 HE1 MET A 62 -1.530 -25.290 9.653 1.00 63.43 H new ATOM 0 HE2 MET A 62 -3.262 -24.929 9.847 1.00 63.43 H new ATOM 0 HE3 MET A 62 -2.316 -25.523 11.232 1.00 63.43 H new ATOM 985 N LEU A 63 -8.476 -26.431 10.991 1.00 4.44 N ATOM 986 CA LEU A 63 -9.603 -25.527 10.762 1.00 62.54 C ATOM 987 C LEU A 63 -10.500 -25.422 12.004 1.00 53.54 C ATOM 988 O LEU A 63 -10.964 -24.334 12.362 1.00 42.14 O ATOM 989 CB LEU A 63 -10.419 -26.018 9.561 1.00 13.24 C ATOM 990 CG LEU A 63 -11.253 -24.940 8.863 1.00 42.54 C ATOM 991 CD1 LEU A 63 -10.333 -23.877 8.269 1.00 24.51 C ATOM 992 CD2 LEU A 63 -12.146 -25.553 7.787 1.00 53.34 C ATOM 0 H LEU A 63 -8.479 -27.257 10.392 1.00 4.44 H new ATOM 0 HA LEU A 63 -9.208 -24.533 10.554 1.00 62.54 H new ATOM 0 HB2 LEU A 63 -9.737 -26.458 8.833 1.00 13.24 H new ATOM 0 HB3 LEU A 63 -11.086 -26.813 9.894 1.00 13.24 H new ATOM 0 HG LEU A 63 -11.903 -24.468 9.600 1.00 42.54 H new ATOM 0 HD11 LEU A 63 -10.932 -23.113 7.774 1.00 24.51 H new ATOM 0 HD12 LEU A 63 -9.746 -23.419 9.064 1.00 24.51 H new ATOM 0 HD13 LEU A 63 -9.663 -24.339 7.544 1.00 24.51 H new ATOM 0 HD21 LEU A 63 -12.728 -24.767 7.306 1.00 53.34 H new ATOM 0 HD22 LEU A 63 -11.527 -26.054 7.042 1.00 53.34 H new ATOM 0 HD23 LEU A 63 -12.821 -26.277 8.243 1.00 53.34 H new ATOM 1004 N ARG A 64 -10.741 -26.559 12.655 1.00 74.53 N ATOM 1005 CA ARG A 64 -11.514 -26.583 13.902 1.00 72.30 C ATOM 1006 C ARG A 64 -10.748 -25.893 15.045 1.00 24.34 C ATOM 1007 O ARG A 64 -11.349 -25.384 15.989 1.00 15.11 O ATOM 1008 CB ARG A 64 -11.867 -28.028 14.285 1.00 65.34 C ATOM 1009 CG ARG A 64 -10.655 -28.932 14.485 1.00 71.45 C ATOM 1010 CD ARG A 64 -11.065 -30.377 14.740 1.00 22.55 C ATOM 1011 NE ARG A 64 -9.909 -31.238 14.986 1.00 15.22 N ATOM 1012 CZ ARG A 64 -9.698 -32.382 14.391 1.00 10.33 C ATOM 1013 NH1 ARG A 64 -10.507 -32.815 13.479 1.00 52.14 N ATOM 1014 NH2 ARG A 64 -8.661 -33.089 14.701 1.00 62.30 N ATOM 0 H ARG A 64 -10.415 -27.474 12.344 1.00 74.53 H new ATOM 0 HA ARG A 64 -12.438 -26.029 13.737 1.00 72.30 H new ATOM 0 HB2 ARG A 64 -12.454 -28.016 15.204 1.00 65.34 H new ATOM 0 HB3 ARG A 64 -12.501 -28.454 13.507 1.00 65.34 H new ATOM 0 HG2 ARG A 64 -10.017 -28.885 13.603 1.00 71.45 H new ATOM 0 HG3 ARG A 64 -10.064 -28.568 15.325 1.00 71.45 H new ATOM 0 HD2 ARG A 64 -11.737 -30.418 15.598 1.00 22.55 H new ATOM 0 HD3 ARG A 64 -11.621 -30.753 13.881 1.00 22.55 H new ATOM 0 HE ARG A 64 -9.220 -30.924 15.669 1.00 15.22 H new ATOM 0 HH11 ARG A 64 -11.322 -32.261 13.216 1.00 52.14 H new ATOM 0 HH12 ARG A 64 -10.330 -33.710 13.023 1.00 52.14 H new ATOM 0 HH21 ARG A 64 -8.008 -32.754 15.410 1.00 62.30 H new ATOM 0 HH22 ARG A 64 -8.495 -33.982 14.237 1.00 62.30 H new ATOM 1028 N LYS A 65 -9.416 -25.876 14.949 1.00 45.20 N ATOM 1029 CA LYS A 65 -8.571 -25.161 15.919 1.00 73.20 C ATOM 1030 C LYS A 65 -8.583 -23.644 15.658 1.00 63.13 C ATOM 1031 O LYS A 65 -8.477 -22.838 16.585 1.00 20.02 O ATOM 1032 CB LYS A 65 -7.127 -25.684 15.850 1.00 63.32 C ATOM 1033 CG LYS A 65 -6.966 -27.136 16.294 1.00 73.42 C ATOM 1034 CD LYS A 65 -7.246 -27.314 17.786 1.00 42.01 C ATOM 1035 CE LYS A 65 -6.277 -26.507 18.648 1.00 52.34 C ATOM 1036 NZ LYS A 65 -6.582 -26.627 20.098 1.00 23.41 N ATOM 0 H LYS A 65 -8.896 -26.349 14.210 1.00 45.20 H new ATOM 0 HA LYS A 65 -8.978 -25.343 16.914 1.00 73.20 H new ATOM 0 HB2 LYS A 65 -6.766 -25.587 14.826 1.00 63.32 H new ATOM 0 HB3 LYS A 65 -6.494 -25.053 16.473 1.00 63.32 H new ATOM 0 HG2 LYS A 65 -7.644 -27.768 15.720 1.00 73.42 H new ATOM 0 HG3 LYS A 65 -5.953 -27.472 16.073 1.00 73.42 H new ATOM 0 HD2 LYS A 65 -8.269 -27.005 18.003 1.00 42.01 H new ATOM 0 HD3 LYS A 65 -7.170 -28.370 18.046 1.00 42.01 H new ATOM 0 HE2 LYS A 65 -5.258 -26.848 18.463 1.00 52.34 H new ATOM 0 HE3 LYS A 65 -6.320 -25.458 18.355 1.00 52.34 H new ATOM 0 HZ1 LYS A 65 -5.900 -26.063 20.644 1.00 23.41 H new ATOM 0 HZ2 LYS A 65 -7.544 -26.277 20.280 1.00 23.41 H new ATOM 0 HZ3 LYS A 65 -6.516 -27.624 20.385 1.00 23.41 H new ATOM 1050 N LEU A 66 -8.704 -23.270 14.386 1.00 14.25 N ATOM 1051 CA LEU A 66 -8.729 -21.860 13.977 1.00 42.34 C ATOM 1052 C LEU A 66 -10.132 -21.253 14.131 1.00 61.34 C ATOM 1053 O LEU A 66 -10.379 -20.466 15.046 1.00 55.05 O ATOM 1054 CB LEU A 66 -8.265 -21.730 12.516 1.00 22.31 C ATOM 1055 CG LEU A 66 -6.818 -22.170 12.243 1.00 72.30 C ATOM 1056 CD1 LEU A 66 -6.530 -22.193 10.743 1.00 4.14 C ATOM 1057 CD2 LEU A 66 -5.834 -21.254 12.969 1.00 42.32 C ATOM 0 H LEU A 66 -8.787 -23.928 13.611 1.00 14.25 H new ATOM 0 HA LEU A 66 -8.050 -21.311 14.629 1.00 42.34 H new ATOM 0 HB2 LEU A 66 -8.931 -22.320 11.887 1.00 22.31 H new ATOM 0 HB3 LEU A 66 -8.375 -20.690 12.209 1.00 22.31 H new ATOM 0 HG LEU A 66 -6.691 -23.183 12.626 1.00 72.30 H new ATOM 0 HD11 LEU A 66 -5.500 -22.507 10.575 1.00 4.14 H new ATOM 0 HD12 LEU A 66 -7.207 -22.893 10.253 1.00 4.14 H new ATOM 0 HD13 LEU A 66 -6.677 -21.195 10.329 1.00 4.14 H new ATOM 0 HD21 LEU A 66 -4.814 -21.580 12.764 1.00 42.32 H new ATOM 0 HD22 LEU A 66 -5.964 -20.230 12.619 1.00 42.32 H new ATOM 0 HD23 LEU A 66 -6.020 -21.297 14.042 1.00 42.32 H new ATOM 1069 N ASP A 67 -11.040 -21.646 13.230 1.00 20.31 N ATOM 1070 CA ASP A 67 -12.405 -21.101 13.170 1.00 64.12 C ATOM 1071 C ASP A 67 -12.412 -19.563 13.292 1.00 32.14 C ATOM 1072 O ASP A 67 -12.597 -19.005 14.375 1.00 54.12 O ATOM 1073 CB ASP A 67 -13.297 -21.746 14.242 1.00 12.13 C ATOM 1074 CG ASP A 67 -14.773 -21.593 13.924 1.00 61.51 C ATOM 1075 OD1 ASP A 67 -15.190 -22.046 12.833 1.00 3.04 O ATOM 1076 OD2 ASP A 67 -15.522 -21.032 14.750 1.00 64.50 O ATOM 0 H ASP A 67 -10.850 -22.353 12.519 1.00 20.31 H new ATOM 0 HA ASP A 67 -12.816 -21.348 12.191 1.00 64.12 H new ATOM 0 HB2 ASP A 67 -13.053 -22.805 14.327 1.00 12.13 H new ATOM 0 HB3 ASP A 67 -13.086 -21.291 15.210 1.00 12.13 H new ATOM 1081 N ILE A 68 -12.188 -18.890 12.167 1.00 33.15 N ATOM 1082 CA ILE A 68 -12.059 -17.427 12.135 1.00 3.24 C ATOM 1083 C ILE A 68 -13.369 -16.719 12.531 1.00 61.43 C ATOM 1084 O ILE A 68 -14.378 -16.811 11.828 1.00 64.15 O ATOM 1085 CB ILE A 68 -11.607 -16.925 10.729 1.00 42.51 C ATOM 1086 CG1 ILE A 68 -10.150 -17.337 10.422 1.00 14.32 C ATOM 1087 CG2 ILE A 68 -11.757 -15.405 10.618 1.00 33.13 C ATOM 1088 CD1 ILE A 68 -9.926 -18.831 10.281 1.00 23.31 C ATOM 0 H ILE A 68 -12.090 -19.335 11.254 1.00 33.15 H new ATOM 0 HA ILE A 68 -11.294 -17.174 12.869 1.00 3.24 H new ATOM 0 HB ILE A 68 -12.256 -17.397 9.992 1.00 42.51 H new ATOM 0 HG12 ILE A 68 -9.836 -16.848 9.500 1.00 14.32 H new ATOM 0 HG13 ILE A 68 -9.506 -16.961 11.217 1.00 14.32 H new ATOM 0 HG21 ILE A 68 -11.436 -15.079 9.629 1.00 33.13 H new ATOM 0 HG22 ILE A 68 -12.801 -15.130 10.769 1.00 33.13 H new ATOM 0 HG23 ILE A 68 -11.141 -14.922 11.377 1.00 33.13 H new ATOM 0 HD11 ILE A 68 -8.875 -19.023 10.066 1.00 23.31 H new ATOM 0 HD12 ILE A 68 -10.204 -19.330 11.210 1.00 23.31 H new ATOM 0 HD13 ILE A 68 -10.539 -19.215 9.466 1.00 23.31 H new ATOM 1100 N LYS A 69 -13.344 -16.009 13.659 1.00 61.13 N ATOM 1101 CA LYS A 69 -14.496 -15.207 14.094 1.00 41.41 C ATOM 1102 C LYS A 69 -14.275 -13.701 13.844 1.00 13.13 C ATOM 1103 O LYS A 69 -15.193 -12.900 14.012 1.00 13.13 O ATOM 1104 CB LYS A 69 -14.849 -15.492 15.575 1.00 24.24 C ATOM 1105 CG LYS A 69 -13.672 -15.476 16.561 1.00 51.32 C ATOM 1106 CD LYS A 69 -13.111 -14.075 16.811 1.00 45.11 C ATOM 1107 CE LYS A 69 -14.162 -13.106 17.353 1.00 44.52 C ATOM 1108 NZ LYS A 69 -14.668 -13.504 18.692 1.00 51.10 N ATOM 0 H LYS A 69 -12.543 -15.970 14.289 1.00 61.13 H new ATOM 0 HA LYS A 69 -15.349 -15.508 13.486 1.00 41.41 H new ATOM 0 HB2 LYS A 69 -15.582 -14.754 15.902 1.00 24.24 H new ATOM 0 HB3 LYS A 69 -15.332 -16.468 15.632 1.00 24.24 H new ATOM 0 HG2 LYS A 69 -13.996 -15.905 17.509 1.00 51.32 H new ATOM 0 HG3 LYS A 69 -12.877 -16.115 16.177 1.00 51.32 H new ATOM 0 HD2 LYS A 69 -12.284 -14.140 17.518 1.00 45.11 H new ATOM 0 HD3 LYS A 69 -12.704 -13.680 15.880 1.00 45.11 H new ATOM 0 HE2 LYS A 69 -13.732 -12.106 17.413 1.00 44.52 H new ATOM 0 HE3 LYS A 69 -14.997 -13.053 16.654 1.00 44.52 H new ATOM 0 HZ1 LYS A 69 -15.352 -12.797 19.029 1.00 51.10 H new ATOM 0 HZ2 LYS A 69 -15.133 -14.432 18.626 1.00 51.10 H new ATOM 0 HZ3 LYS A 69 -13.873 -13.562 19.360 1.00 51.10 H new ATOM 1122 N ASN A 70 -13.058 -13.323 13.445 1.00 20.42 N ATOM 1123 CA ASN A 70 -12.761 -11.928 13.075 1.00 60.52 C ATOM 1124 C ASN A 70 -11.422 -11.810 12.323 1.00 44.14 C ATOM 1125 O ASN A 70 -10.646 -12.765 12.263 1.00 13.50 O ATOM 1126 CB ASN A 70 -12.762 -11.010 14.314 1.00 11.42 C ATOM 1127 CG ASN A 70 -11.545 -11.173 15.218 1.00 32.31 C ATOM 1128 OD1 ASN A 70 -10.995 -12.365 15.301 1.00 50.50 O flip ATOM 1129 ND2 ASN A 70 -11.102 -10.220 15.849 1.00 3.31 N flip ATOM 0 H ASN A 70 -12.262 -13.957 13.369 1.00 20.42 H new ATOM 0 HA ASN A 70 -13.554 -11.601 12.402 1.00 60.52 H new ATOM 0 HB2 ASN A 70 -12.818 -9.973 13.983 1.00 11.42 H new ATOM 0 HB3 ASN A 70 -13.662 -11.207 14.897 1.00 11.42 H new ATOM 0 HD21 ASN A 70 -11.545 -9.305 15.769 1.00 3.31 H new ATOM 0 HD22 ASN A 70 -10.290 -10.342 16.454 1.00 3.31 H new ATOM 1136 N GLU A 71 -11.154 -10.626 11.771 1.00 1.22 N ATOM 1137 CA GLU A 71 -9.941 -10.386 10.975 1.00 63.35 C ATOM 1138 C GLU A 71 -8.652 -10.692 11.765 1.00 1.34 C ATOM 1139 O GLU A 71 -7.632 -11.057 11.184 1.00 10.35 O ATOM 1140 CB GLU A 71 -9.918 -8.933 10.474 1.00 12.33 C ATOM 1141 CG GLU A 71 -8.758 -8.618 9.532 1.00 22.41 C ATOM 1142 CD GLU A 71 -8.738 -7.165 9.083 1.00 63.20 C ATOM 1143 OE1 GLU A 71 -8.238 -6.312 9.845 1.00 34.01 O ATOM 1144 OE2 GLU A 71 -9.226 -6.868 7.969 1.00 51.23 O ATOM 0 H GLU A 71 -11.762 -9.812 11.859 1.00 1.22 H new ATOM 0 HA GLU A 71 -9.971 -11.068 10.125 1.00 63.35 H new ATOM 0 HB2 GLU A 71 -10.856 -8.722 9.961 1.00 12.33 H new ATOM 0 HB3 GLU A 71 -9.867 -8.264 11.333 1.00 12.33 H new ATOM 0 HG2 GLU A 71 -7.818 -8.852 10.031 1.00 22.41 H new ATOM 0 HG3 GLU A 71 -8.823 -9.263 8.656 1.00 22.41 H new ATOM 1151 N ASP A 72 -8.701 -10.545 13.090 1.00 14.10 N ATOM 1152 CA ASP A 72 -7.542 -10.842 13.943 1.00 23.13 C ATOM 1153 C ASP A 72 -7.051 -12.291 13.756 1.00 70.25 C ATOM 1154 O ASP A 72 -5.843 -12.548 13.731 1.00 44.34 O ATOM 1155 CB ASP A 72 -7.886 -10.584 15.414 1.00 34.01 C ATOM 1156 CG ASP A 72 -6.716 -10.874 16.339 1.00 23.53 C ATOM 1157 OD1 ASP A 72 -5.802 -10.026 16.431 1.00 44.11 O ATOM 1158 OD2 ASP A 72 -6.693 -11.955 16.965 1.00 70.25 O ATOM 0 H ASP A 72 -9.526 -10.224 13.597 1.00 14.10 H new ATOM 0 HA ASP A 72 -6.732 -10.178 13.642 1.00 23.13 H new ATOM 0 HB2 ASP A 72 -8.194 -9.546 15.536 1.00 34.01 H new ATOM 0 HB3 ASP A 72 -8.735 -11.204 15.700 1.00 34.01 H new ATOM 1163 N ASP A 73 -7.985 -13.236 13.622 1.00 51.21 N ATOM 1164 CA ASP A 73 -7.623 -14.632 13.348 1.00 74.21 C ATOM 1165 C ASP A 73 -6.871 -14.720 12.014 1.00 11.21 C ATOM 1166 O ASP A 73 -5.855 -15.409 11.891 1.00 42.11 O ATOM 1167 CB ASP A 73 -8.870 -15.521 13.296 1.00 55.13 C ATOM 1168 CG ASP A 73 -9.737 -15.390 14.533 1.00 74.42 C ATOM 1169 OD1 ASP A 73 -9.266 -15.723 15.639 1.00 14.51 O ATOM 1170 OD2 ASP A 73 -10.895 -14.949 14.404 1.00 0.43 O ATOM 0 H ASP A 73 -8.988 -13.065 13.697 1.00 51.21 H new ATOM 0 HA ASP A 73 -6.981 -14.985 14.155 1.00 74.21 H new ATOM 0 HB2 ASP A 73 -9.459 -15.262 12.416 1.00 55.13 H new ATOM 0 HB3 ASP A 73 -8.565 -16.561 13.180 1.00 55.13 H new ATOM 1175 N VAL A 74 -7.381 -13.990 11.024 1.00 63.41 N ATOM 1176 CA VAL A 74 -6.743 -13.882 9.710 1.00 31.13 C ATOM 1177 C VAL A 74 -5.315 -13.315 9.819 1.00 52.10 C ATOM 1178 O VAL A 74 -4.405 -13.740 9.100 1.00 42.42 O ATOM 1179 CB VAL A 74 -7.583 -12.985 8.768 1.00 44.54 C ATOM 1180 CG1 VAL A 74 -6.851 -12.735 7.456 1.00 3.23 C ATOM 1181 CG2 VAL A 74 -8.960 -13.601 8.515 1.00 74.34 C ATOM 0 H VAL A 74 -8.247 -13.457 11.108 1.00 63.41 H new ATOM 0 HA VAL A 74 -6.684 -14.889 9.296 1.00 31.13 H new ATOM 0 HB VAL A 74 -7.727 -12.023 9.260 1.00 44.54 H new ATOM 0 HG11 VAL A 74 -7.463 -12.102 6.813 1.00 3.23 H new ATOM 0 HG12 VAL A 74 -5.902 -12.238 7.658 1.00 3.23 H new ATOM 0 HG13 VAL A 74 -6.663 -13.686 6.957 1.00 3.23 H new ATOM 0 HG21 VAL A 74 -9.532 -12.953 7.851 1.00 74.34 H new ATOM 0 HG22 VAL A 74 -8.841 -14.581 8.052 1.00 74.34 H new ATOM 0 HG23 VAL A 74 -9.490 -13.709 9.461 1.00 74.34 H new ATOM 1191 N LYS A 75 -5.126 -12.349 10.717 1.00 41.24 N ATOM 1192 CA LYS A 75 -3.797 -11.780 10.975 1.00 13.04 C ATOM 1193 C LYS A 75 -2.857 -12.841 11.570 1.00 3.43 C ATOM 1194 O LYS A 75 -1.687 -12.934 11.195 1.00 5.31 O ATOM 1195 CB LYS A 75 -3.902 -10.569 11.917 1.00 40.35 C ATOM 1196 CG LYS A 75 -4.762 -9.429 11.367 1.00 33.44 C ATOM 1197 CD LYS A 75 -4.270 -8.962 9.999 1.00 40.35 C ATOM 1198 CE LYS A 75 -5.123 -7.829 9.434 1.00 71.15 C ATOM 1199 NZ LYS A 75 -4.696 -7.441 8.062 1.00 11.01 N ATOM 0 H LYS A 75 -5.873 -11.942 11.279 1.00 41.24 H new ATOM 0 HA LYS A 75 -3.380 -11.445 10.025 1.00 13.04 H new ATOM 0 HB2 LYS A 75 -4.317 -10.897 12.870 1.00 40.35 H new ATOM 0 HB3 LYS A 75 -2.900 -10.190 12.119 1.00 40.35 H new ATOM 0 HG2 LYS A 75 -5.798 -9.759 11.288 1.00 33.44 H new ATOM 0 HG3 LYS A 75 -4.747 -8.592 12.065 1.00 33.44 H new ATOM 0 HD2 LYS A 75 -3.235 -8.629 10.081 1.00 40.35 H new ATOM 0 HD3 LYS A 75 -4.280 -9.803 9.305 1.00 40.35 H new ATOM 0 HE2 LYS A 75 -6.168 -8.137 9.415 1.00 71.15 H new ATOM 0 HE3 LYS A 75 -5.058 -6.963 10.093 1.00 71.15 H new ATOM 0 HZ1 LYS A 75 -5.301 -6.669 7.716 1.00 11.01 H new ATOM 0 HZ2 LYS A 75 -3.706 -7.123 8.084 1.00 11.01 H new ATOM 0 HZ3 LYS A 75 -4.782 -8.260 7.427 1.00 11.01 H new ATOM 1213 N SER A 76 -3.390 -13.658 12.481 1.00 34.43 N ATOM 1214 CA SER A 76 -2.613 -14.745 13.099 1.00 20.44 C ATOM 1215 C SER A 76 -2.207 -15.797 12.057 1.00 30.41 C ATOM 1216 O SER A 76 -1.127 -16.390 12.143 1.00 23.21 O ATOM 1217 CB SER A 76 -3.415 -15.416 14.226 1.00 73.23 C ATOM 1218 OG SER A 76 -2.649 -16.422 14.877 1.00 5.04 O ATOM 0 H SER A 76 -4.353 -13.591 12.809 1.00 34.43 H new ATOM 0 HA SER A 76 -1.709 -14.304 13.520 1.00 20.44 H new ATOM 0 HB2 SER A 76 -3.724 -14.664 14.952 1.00 73.23 H new ATOM 0 HB3 SER A 76 -4.324 -15.856 13.816 1.00 73.23 H new ATOM 0 HG SER A 76 -3.184 -16.830 15.590 1.00 5.04 H new ATOM 1224 N LEU A 77 -3.073 -16.017 11.063 1.00 3.44 N ATOM 1225 CA LEU A 77 -2.785 -16.960 9.973 1.00 2.12 C ATOM 1226 C LEU A 77 -1.466 -16.618 9.258 1.00 41.41 C ATOM 1227 O LEU A 77 -0.749 -17.511 8.809 1.00 64.44 O ATOM 1228 CB LEU A 77 -3.936 -16.977 8.952 1.00 21.23 C ATOM 1229 CG LEU A 77 -5.285 -17.494 9.483 1.00 73.51 C ATOM 1230 CD1 LEU A 77 -6.355 -17.450 8.392 1.00 40.22 C ATOM 1231 CD2 LEU A 77 -5.136 -18.908 10.036 1.00 41.44 C ATOM 0 H LEU A 77 -3.980 -15.556 10.989 1.00 3.44 H new ATOM 0 HA LEU A 77 -2.684 -17.949 10.421 1.00 2.12 H new ATOM 0 HB2 LEU A 77 -4.078 -15.965 8.574 1.00 21.23 H new ATOM 0 HB3 LEU A 77 -3.638 -17.595 8.105 1.00 21.23 H new ATOM 0 HG LEU A 77 -5.604 -16.839 10.294 1.00 73.51 H new ATOM 0 HD11 LEU A 77 -7.299 -17.820 8.793 1.00 40.22 H new ATOM 0 HD12 LEU A 77 -6.484 -16.423 8.050 1.00 40.22 H new ATOM 0 HD13 LEU A 77 -6.046 -18.075 7.554 1.00 40.22 H new ATOM 0 HD21 LEU A 77 -6.100 -19.257 10.407 1.00 41.44 H new ATOM 0 HD22 LEU A 77 -4.789 -19.573 9.245 1.00 41.44 H new ATOM 0 HD23 LEU A 77 -4.413 -18.905 10.851 1.00 41.44 H new ATOM 1243 N SER A 78 -1.144 -15.323 9.169 1.00 13.44 N ATOM 1244 CA SER A 78 0.091 -14.873 8.506 1.00 73.24 C ATOM 1245 C SER A 78 1.325 -15.563 9.107 1.00 45.15 C ATOM 1246 O SER A 78 2.241 -15.959 8.386 1.00 4.22 O ATOM 1247 CB SER A 78 0.237 -13.347 8.611 1.00 55.32 C ATOM 1248 OG SER A 78 1.371 -12.878 7.893 1.00 50.51 O ATOM 0 H SER A 78 -1.717 -14.568 9.545 1.00 13.44 H new ATOM 0 HA SER A 78 0.022 -15.149 7.454 1.00 73.24 H new ATOM 0 HB2 SER A 78 -0.662 -12.868 8.225 1.00 55.32 H new ATOM 0 HB3 SER A 78 0.326 -13.061 9.659 1.00 55.32 H new ATOM 0 HG SER A 78 1.433 -11.904 7.980 1.00 50.51 H new ATOM 1254 N ARG A 79 1.323 -15.729 10.433 1.00 22.03 N ATOM 1255 CA ARG A 79 2.406 -16.431 11.134 1.00 51.43 C ATOM 1256 C ARG A 79 2.563 -17.873 10.622 1.00 15.13 C ATOM 1257 O ARG A 79 3.671 -18.323 10.326 1.00 35.35 O ATOM 1258 CB ARG A 79 2.139 -16.441 12.648 1.00 34.54 C ATOM 1259 CG ARG A 79 2.215 -15.064 13.309 1.00 34.02 C ATOM 1260 CD ARG A 79 3.620 -14.476 13.221 1.00 65.23 C ATOM 1261 NE ARG A 79 3.741 -13.208 13.939 1.00 33.23 N ATOM 1262 CZ ARG A 79 4.851 -12.775 14.475 1.00 4.24 C ATOM 1263 NH1 ARG A 79 5.929 -13.492 14.427 1.00 30.33 N ATOM 1264 NH2 ARG A 79 4.875 -11.634 15.079 1.00 60.44 N ATOM 0 H ARG A 79 0.582 -15.386 11.045 1.00 22.03 H new ATOM 0 HA ARG A 79 3.334 -15.896 10.934 1.00 51.43 H new ATOM 0 HB2 ARG A 79 1.151 -16.864 12.828 1.00 34.54 H new ATOM 0 HB3 ARG A 79 2.861 -17.102 13.128 1.00 34.54 H new ATOM 0 HG2 ARG A 79 1.507 -14.389 12.828 1.00 34.02 H new ATOM 0 HG3 ARG A 79 1.919 -15.145 14.355 1.00 34.02 H new ATOM 0 HD2 ARG A 79 4.336 -15.190 13.628 1.00 65.23 H new ATOM 0 HD3 ARG A 79 3.882 -14.324 12.174 1.00 65.23 H new ATOM 0 HE ARG A 79 2.908 -12.626 14.027 1.00 33.23 H new ATOM 0 HH11 ARG A 79 5.916 -14.403 13.968 1.00 30.33 H new ATOM 0 HH12 ARG A 79 6.791 -13.146 14.848 1.00 30.33 H new ATOM 0 HH21 ARG A 79 4.027 -11.070 15.138 1.00 60.44 H new ATOM 0 HH22 ARG A 79 5.742 -11.297 15.497 1.00 60.44 H new ATOM 1278 N VAL A 80 1.445 -18.589 10.515 1.00 1.42 N ATOM 1279 CA VAL A 80 1.452 -19.969 10.013 1.00 52.44 C ATOM 1280 C VAL A 80 1.906 -20.022 8.544 1.00 75.23 C ATOM 1281 O VAL A 80 2.678 -20.900 8.147 1.00 62.00 O ATOM 1282 CB VAL A 80 0.050 -20.617 10.143 1.00 24.13 C ATOM 1283 CG1 VAL A 80 0.073 -22.071 9.670 1.00 23.25 C ATOM 1284 CG2 VAL A 80 -0.454 -20.518 11.585 1.00 30.14 C ATOM 0 H VAL A 80 0.521 -18.240 10.768 1.00 1.42 H new ATOM 0 HA VAL A 80 2.160 -20.530 10.623 1.00 52.44 H new ATOM 0 HB VAL A 80 -0.640 -20.070 9.501 1.00 24.13 H new ATOM 0 HG11 VAL A 80 -0.923 -22.502 9.772 1.00 23.25 H new ATOM 0 HG12 VAL A 80 0.380 -22.109 8.625 1.00 23.25 H new ATOM 0 HG13 VAL A 80 0.778 -22.640 10.276 1.00 23.25 H new ATOM 0 HG21 VAL A 80 -1.440 -20.978 11.658 1.00 30.14 H new ATOM 0 HG22 VAL A 80 0.238 -21.036 12.249 1.00 30.14 H new ATOM 0 HG23 VAL A 80 -0.520 -19.470 11.876 1.00 30.14 H new ATOM 1294 N MET A 81 1.435 -19.058 7.752 1.00 64.35 N ATOM 1295 CA MET A 81 1.788 -18.967 6.330 1.00 5.13 C ATOM 1296 C MET A 81 3.309 -18.859 6.131 1.00 2.21 C ATOM 1297 O MET A 81 3.873 -19.470 5.221 1.00 30.03 O ATOM 1298 CB MET A 81 1.082 -17.773 5.680 1.00 20.42 C ATOM 1299 CG MET A 81 -0.433 -17.872 5.736 1.00 44.35 C ATOM 1300 SD MET A 81 -1.039 -19.426 5.052 1.00 72.11 S ATOM 1301 CE MET A 81 -2.770 -19.338 5.487 1.00 75.35 C ATOM 0 H MET A 81 0.804 -18.323 8.072 1.00 64.35 H new ATOM 0 HA MET A 81 1.453 -19.885 5.847 1.00 5.13 H new ATOM 0 HB2 MET A 81 1.399 -16.857 6.178 1.00 20.42 H new ATOM 0 HB3 MET A 81 1.397 -17.695 4.639 1.00 20.42 H new ATOM 0 HG2 MET A 81 -0.764 -17.779 6.770 1.00 44.35 H new ATOM 0 HG3 MET A 81 -0.871 -17.039 5.185 1.00 44.35 H new ATOM 0 HE1 MET A 81 -3.360 -19.875 4.744 1.00 75.35 H new ATOM 0 HE2 MET A 81 -2.922 -19.790 6.467 1.00 75.35 H new ATOM 0 HE3 MET A 81 -3.085 -18.295 5.516 1.00 75.35 H new ATOM 1311 N ILE A 82 3.970 -18.084 6.992 1.00 45.40 N ATOM 1312 CA ILE A 82 5.436 -17.982 6.972 1.00 15.03 C ATOM 1313 C ILE A 82 6.091 -19.366 7.156 1.00 22.43 C ATOM 1314 O ILE A 82 7.111 -19.674 6.538 1.00 34.50 O ATOM 1315 CB ILE A 82 5.946 -17.015 8.074 1.00 55.42 C ATOM 1316 CG1 ILE A 82 5.333 -15.615 7.879 1.00 32.44 C ATOM 1317 CG2 ILE A 82 7.476 -16.943 8.071 1.00 33.55 C ATOM 1318 CD1 ILE A 82 5.673 -14.630 8.980 1.00 32.14 C ATOM 0 H ILE A 82 3.519 -17.518 7.711 1.00 45.40 H new ATOM 0 HA ILE A 82 5.718 -17.584 5.997 1.00 15.03 H new ATOM 0 HB ILE A 82 5.631 -17.400 9.044 1.00 55.42 H new ATOM 0 HG12 ILE A 82 5.675 -15.210 6.926 1.00 32.44 H new ATOM 0 HG13 ILE A 82 4.249 -15.711 7.814 1.00 32.44 H new ATOM 0 HG21 ILE A 82 7.810 -16.259 8.852 1.00 33.55 H new ATOM 0 HG22 ILE A 82 7.887 -17.935 8.257 1.00 33.55 H new ATOM 0 HG23 ILE A 82 7.821 -16.583 7.102 1.00 33.55 H new ATOM 0 HD11 ILE A 82 5.203 -13.670 8.767 1.00 32.14 H new ATOM 0 HD12 ILE A 82 5.307 -15.010 9.934 1.00 32.14 H new ATOM 0 HD13 ILE A 82 6.754 -14.501 9.032 1.00 32.14 H new ATOM 1330 N HIS A 83 5.484 -20.202 7.998 1.00 14.45 N ATOM 1331 CA HIS A 83 5.976 -21.566 8.226 1.00 72.20 C ATOM 1332 C HIS A 83 5.704 -22.478 7.014 1.00 42.44 C ATOM 1333 O HIS A 83 6.428 -23.446 6.787 1.00 71.22 O ATOM 1334 CB HIS A 83 5.364 -22.157 9.505 1.00 13.32 C ATOM 1335 CG HIS A 83 5.919 -21.553 10.763 1.00 41.42 C ATOM 1336 ND1 HIS A 83 5.615 -20.405 11.415 1.00 22.50 N flip ATOM 1337 CD2 HIS A 83 6.926 -22.143 11.494 1.00 53.24 C flip ATOM 1338 CE1 HIS A 83 6.439 -20.329 12.511 1.00 74.34 C flip ATOM 1339 NE2 HIS A 83 7.217 -21.389 12.532 1.00 60.33 N flip ATOM 0 H HIS A 83 4.651 -19.961 8.535 1.00 14.45 H new ATOM 0 HA HIS A 83 7.057 -21.510 8.356 1.00 72.20 H new ATOM 0 HB2 HIS A 83 4.284 -22.009 9.485 1.00 13.32 H new ATOM 0 HB3 HIS A 83 5.538 -23.233 9.519 1.00 13.32 H new ATOM 0 HD1 HIS A 83 4.906 -19.724 11.143 1.00 22.50 H new ATOM 0 HD2 HIS A 83 7.404 -23.081 11.252 1.00 53.24 H new ATOM 0 HE1 HIS A 83 6.447 -19.529 13.237 1.00 74.34 H new ATOM 1348 N VAL A 84 4.660 -22.175 6.244 1.00 1.33 N ATOM 1349 CA VAL A 84 4.372 -22.919 5.006 1.00 60.22 C ATOM 1350 C VAL A 84 5.570 -22.872 4.033 1.00 55.04 C ATOM 1351 O VAL A 84 5.893 -23.865 3.378 1.00 10.54 O ATOM 1352 CB VAL A 84 3.103 -22.372 4.295 1.00 21.35 C ATOM 1353 CG1 VAL A 84 2.844 -23.110 2.979 1.00 5.22 C ATOM 1354 CG2 VAL A 84 1.885 -22.470 5.216 1.00 44.11 C ATOM 0 H VAL A 84 4.000 -21.425 6.449 1.00 1.33 H new ATOM 0 HA VAL A 84 4.191 -23.955 5.294 1.00 60.22 H new ATOM 0 HB VAL A 84 3.277 -21.322 4.061 1.00 21.35 H new ATOM 0 HG11 VAL A 84 1.950 -22.705 2.505 1.00 5.22 H new ATOM 0 HG12 VAL A 84 3.698 -22.979 2.314 1.00 5.22 H new ATOM 0 HG13 VAL A 84 2.699 -24.172 3.180 1.00 5.22 H new ATOM 0 HG21 VAL A 84 1.007 -22.082 4.700 1.00 44.11 H new ATOM 0 HG22 VAL A 84 1.716 -23.512 5.486 1.00 44.11 H new ATOM 0 HG23 VAL A 84 2.063 -21.885 6.119 1.00 44.11 H new ATOM 1364 N PHE A 85 6.241 -21.719 3.963 1.00 32.31 N ATOM 1365 CA PHE A 85 7.419 -21.556 3.094 1.00 62.34 C ATOM 1366 C PHE A 85 8.714 -22.066 3.753 1.00 0.34 C ATOM 1367 O PHE A 85 9.810 -21.832 3.236 1.00 43.12 O ATOM 1368 CB PHE A 85 7.590 -20.085 2.683 1.00 62.11 C ATOM 1369 CG PHE A 85 6.577 -19.612 1.674 1.00 73.24 C ATOM 1370 CD1 PHE A 85 6.476 -20.235 0.437 1.00 42.20 C ATOM 1371 CD2 PHE A 85 5.735 -18.546 1.952 1.00 74.42 C ATOM 1372 CE1 PHE A 85 5.558 -19.804 -0.499 1.00 55.40 C ATOM 1373 CE2 PHE A 85 4.815 -18.112 1.017 1.00 32.14 C ATOM 1374 CZ PHE A 85 4.727 -18.743 -0.209 1.00 60.11 C ATOM 0 H PHE A 85 5.993 -20.884 4.494 1.00 32.31 H new ATOM 0 HA PHE A 85 7.239 -22.164 2.208 1.00 62.34 H new ATOM 0 HB2 PHE A 85 7.522 -19.459 3.573 1.00 62.11 H new ATOM 0 HB3 PHE A 85 8.590 -19.947 2.272 1.00 62.11 H new ATOM 0 HD1 PHE A 85 7.124 -21.067 0.205 1.00 42.20 H new ATOM 0 HD2 PHE A 85 5.799 -18.050 2.909 1.00 74.42 H new ATOM 0 HE1 PHE A 85 5.491 -20.297 -1.457 1.00 55.40 H new ATOM 0 HE2 PHE A 85 4.165 -17.280 1.244 1.00 32.14 H new ATOM 0 HZ PHE A 85 4.007 -18.405 -0.940 1.00 60.11 H new ATOM 1458 N TRP A 92 7.743 -24.430 -6.812 1.00 22.54 N ATOM 1459 CA TRP A 92 6.523 -23.634 -7.071 1.00 4.20 C ATOM 1460 C TRP A 92 5.249 -24.258 -6.441 1.00 63.12 C ATOM 1461 O TRP A 92 4.296 -23.542 -6.129 1.00 63.31 O ATOM 1462 CB TRP A 92 6.317 -23.400 -8.581 1.00 53.33 C ATOM 1463 CG TRP A 92 7.359 -22.507 -9.204 1.00 54.52 C ATOM 1464 CD1 TRP A 92 8.395 -22.883 -10.015 1.00 42.31 C ATOM 1465 CD2 TRP A 92 7.464 -21.083 -9.059 1.00 55.15 C ATOM 1466 NE1 TRP A 92 9.129 -21.779 -10.388 1.00 25.23 N ATOM 1467 CE2 TRP A 92 8.577 -20.664 -9.813 1.00 34.04 C ATOM 1468 CE3 TRP A 92 6.720 -20.121 -8.367 1.00 64.22 C ATOM 1469 CZ2 TRP A 92 8.965 -19.328 -9.891 1.00 73.14 C ATOM 1470 CZ3 TRP A 92 7.105 -18.796 -8.446 1.00 14.20 C ATOM 1471 CH2 TRP A 92 8.218 -18.409 -9.205 1.00 4.32 C ATOM 0 HA TRP A 92 6.681 -22.672 -6.585 1.00 4.20 H new ATOM 0 HB2 TRP A 92 6.323 -24.362 -9.093 1.00 53.33 H new ATOM 0 HB3 TRP A 92 5.332 -22.960 -8.740 1.00 53.33 H new ATOM 0 HD1 TRP A 92 8.606 -23.898 -10.318 1.00 42.31 H new ATOM 0 HE1 TRP A 92 9.950 -21.789 -10.994 1.00 25.23 H new ATOM 0 HE3 TRP A 92 5.860 -20.409 -7.781 1.00 64.22 H new ATOM 0 HZ2 TRP A 92 9.825 -19.028 -10.472 1.00 73.14 H new ATOM 0 HZ3 TRP A 92 6.539 -18.046 -7.914 1.00 14.20 H new ATOM 0 HH2 TRP A 92 8.491 -17.365 -9.249 1.00 4.32 H new ATOM 1482 N GLY A 93 5.239 -25.580 -6.237 1.00 61.32 N ATOM 1483 CA GLY A 93 4.108 -26.246 -5.587 1.00 13.24 C ATOM 1484 C GLY A 93 3.809 -25.695 -4.193 1.00 1.42 C ATOM 1485 O GLY A 93 2.679 -25.784 -3.703 1.00 54.43 O ATOM 0 H GLY A 93 5.997 -26.205 -6.511 1.00 61.32 H new ATOM 0 HA2 GLY A 93 3.222 -26.137 -6.212 1.00 13.24 H new ATOM 0 HA3 GLY A 93 4.316 -27.313 -5.512 1.00 13.24 H new ATOM 1489 N ARG A 94 4.827 -25.131 -3.547 1.00 23.42 N ATOM 1490 CA ARG A 94 4.647 -24.460 -2.255 1.00 22.20 C ATOM 1491 C ARG A 94 3.711 -23.247 -2.382 1.00 2.30 C ATOM 1492 O ARG A 94 2.937 -22.953 -1.469 1.00 60.13 O ATOM 1493 CB ARG A 94 6.004 -24.033 -1.679 1.00 31.23 C ATOM 1494 CG ARG A 94 6.928 -25.199 -1.324 1.00 53.24 C ATOM 1495 CD ARG A 94 6.469 -25.961 -0.075 1.00 55.42 C ATOM 1496 NE ARG A 94 5.185 -26.650 -0.254 1.00 35.32 N ATOM 1497 CZ ARG A 94 4.997 -27.922 -0.016 1.00 34.43 C ATOM 1498 NH1 ARG A 94 5.975 -28.664 0.388 1.00 4.43 N ATOM 1499 NH2 ARG A 94 3.824 -28.444 -0.183 1.00 54.25 N ATOM 0 H ARG A 94 5.786 -25.124 -3.894 1.00 23.42 H new ATOM 0 HA ARG A 94 4.183 -25.170 -1.570 1.00 22.20 H new ATOM 0 HB2 ARG A 94 6.508 -23.392 -2.402 1.00 31.23 H new ATOM 0 HB3 ARG A 94 5.834 -23.433 -0.785 1.00 31.23 H new ATOM 0 HG2 ARG A 94 6.977 -25.888 -2.167 1.00 53.24 H new ATOM 0 HG3 ARG A 94 7.938 -24.821 -1.163 1.00 53.24 H new ATOM 0 HD2 ARG A 94 7.231 -26.692 0.197 1.00 55.42 H new ATOM 0 HD3 ARG A 94 6.386 -25.263 0.758 1.00 55.42 H new ATOM 0 HE ARG A 94 4.390 -26.103 -0.584 1.00 35.32 H new ATOM 0 HH11 ARG A 94 6.901 -28.258 0.523 1.00 4.43 H new ATOM 0 HH12 ARG A 94 5.821 -29.655 0.572 1.00 4.43 H new ATOM 0 HH21 ARG A 94 3.048 -27.863 -0.500 1.00 54.25 H new ATOM 0 HH22 ARG A 94 3.676 -29.436 0.002 1.00 54.25 H new ATOM 1513 N ILE A 95 3.775 -22.557 -3.524 1.00 42.50 N ATOM 1514 CA ILE A 95 2.858 -21.447 -3.811 1.00 31.53 C ATOM 1515 C ILE A 95 1.410 -21.962 -3.850 1.00 4.40 C ATOM 1516 O ILE A 95 0.505 -21.370 -3.257 1.00 42.34 O ATOM 1517 CB ILE A 95 3.194 -20.764 -5.166 1.00 23.03 C ATOM 1518 CG1 ILE A 95 4.684 -20.377 -5.230 1.00 11.44 C ATOM 1519 CG2 ILE A 95 2.308 -19.536 -5.388 1.00 43.32 C ATOM 1520 CD1 ILE A 95 5.117 -19.379 -4.174 1.00 51.15 C ATOM 0 H ILE A 95 4.450 -22.746 -4.265 1.00 42.50 H new ATOM 0 HA ILE A 95 2.972 -20.709 -3.017 1.00 31.53 H new ATOM 0 HB ILE A 95 2.994 -21.479 -5.964 1.00 23.03 H new ATOM 0 HG12 ILE A 95 5.286 -21.280 -5.128 1.00 11.44 H new ATOM 0 HG13 ILE A 95 4.897 -19.961 -6.215 1.00 11.44 H new ATOM 0 HG21 ILE A 95 2.560 -19.073 -6.342 1.00 43.32 H new ATOM 0 HG22 ILE A 95 1.261 -19.839 -5.397 1.00 43.32 H new ATOM 0 HG23 ILE A 95 2.471 -18.819 -4.583 1.00 43.32 H new ATOM 0 HD11 ILE A 95 6.179 -19.163 -4.292 1.00 51.15 H new ATOM 0 HD12 ILE A 95 4.544 -18.458 -4.287 1.00 51.15 H new ATOM 0 HD13 ILE A 95 4.940 -19.798 -3.183 1.00 51.15 H new ATOM 1532 N VAL A 96 1.212 -23.086 -4.546 1.00 0.43 N ATOM 1533 CA VAL A 96 -0.091 -23.761 -4.585 1.00 24.41 C ATOM 1534 C VAL A 96 -0.561 -24.130 -3.171 1.00 3.33 C ATOM 1535 O VAL A 96 -1.726 -23.949 -2.829 1.00 45.13 O ATOM 1536 CB VAL A 96 -0.040 -25.055 -5.442 1.00 11.21 C ATOM 1537 CG1 VAL A 96 -1.427 -25.689 -5.563 1.00 12.11 C ATOM 1538 CG2 VAL A 96 0.548 -24.771 -6.819 1.00 21.43 C ATOM 0 H VAL A 96 1.939 -23.549 -5.092 1.00 0.43 H new ATOM 0 HA VAL A 96 -0.793 -23.060 -5.037 1.00 24.41 H new ATOM 0 HB VAL A 96 0.611 -25.767 -4.935 1.00 11.21 H new ATOM 0 HG11 VAL A 96 -1.362 -26.593 -6.168 1.00 12.11 H new ATOM 0 HG12 VAL A 96 -1.799 -25.943 -4.570 1.00 12.11 H new ATOM 0 HG13 VAL A 96 -2.109 -24.983 -6.037 1.00 12.11 H new ATOM 0 HG21 VAL A 96 0.573 -25.692 -7.401 1.00 21.43 H new ATOM 0 HG22 VAL A 96 -0.069 -24.034 -7.333 1.00 21.43 H new ATOM 0 HG23 VAL A 96 1.561 -24.383 -6.709 1.00 21.43 H new ATOM 1548 N THR A 97 0.362 -24.643 -2.354 1.00 25.34 N ATOM 1549 CA THR A 97 0.047 -25.043 -0.972 1.00 3.23 C ATOM 1550 C THR A 97 -0.521 -23.862 -0.169 1.00 30.11 C ATOM 1551 O THR A 97 -1.556 -23.984 0.488 1.00 34.21 O ATOM 1552 CB THR A 97 1.296 -25.596 -0.234 1.00 65.13 C ATOM 1553 OG1 THR A 97 1.917 -26.648 -1.005 1.00 1.32 O ATOM 1554 CG2 THR A 97 0.923 -26.133 1.149 1.00 53.14 C ATOM 0 H THR A 97 1.335 -24.793 -2.621 1.00 25.34 H new ATOM 0 HA THR A 97 -0.702 -25.832 -1.041 1.00 3.23 H new ATOM 0 HB THR A 97 2.000 -24.773 -0.114 1.00 65.13 H new ATOM 0 HG1 THR A 97 2.278 -26.275 -1.836 1.00 1.32 H new ATOM 0 HG21 THR A 97 1.816 -26.514 1.644 1.00 53.14 H new ATOM 0 HG22 THR A 97 0.491 -25.330 1.747 1.00 53.14 H new ATOM 0 HG23 THR A 97 0.196 -26.938 1.043 1.00 53.14 H new ATOM 1562 N LEU A 98 0.155 -22.718 -0.250 1.00 14.30 N ATOM 1563 CA LEU A 98 -0.273 -21.499 0.450 1.00 35.11 C ATOM 1564 C LEU A 98 -1.678 -21.045 0.005 1.00 71.32 C ATOM 1565 O LEU A 98 -2.584 -20.875 0.826 1.00 51.11 O ATOM 1566 CB LEU A 98 0.738 -20.373 0.180 1.00 34.32 C ATOM 1567 CG LEU A 98 0.486 -19.065 0.948 1.00 50.11 C ATOM 1568 CD1 LEU A 98 0.731 -19.262 2.439 1.00 61.43 C ATOM 1569 CD2 LEU A 98 1.346 -17.929 0.396 1.00 34.05 C ATOM 0 H LEU A 98 1.009 -22.605 -0.797 1.00 14.30 H new ATOM 0 HA LEU A 98 -0.316 -21.723 1.516 1.00 35.11 H new ATOM 0 HB2 LEU A 98 1.735 -20.735 0.430 1.00 34.32 H new ATOM 0 HB3 LEU A 98 0.736 -20.154 -0.888 1.00 34.32 H new ATOM 0 HG LEU A 98 -0.559 -18.787 0.809 1.00 50.11 H new ATOM 0 HD11 LEU A 98 0.547 -18.325 2.965 1.00 61.43 H new ATOM 0 HD12 LEU A 98 0.058 -20.030 2.820 1.00 61.43 H new ATOM 0 HD13 LEU A 98 1.763 -19.572 2.600 1.00 61.43 H new ATOM 0 HD21 LEU A 98 1.147 -17.016 0.958 1.00 34.05 H new ATOM 0 HD22 LEU A 98 2.400 -18.191 0.491 1.00 34.05 H new ATOM 0 HD23 LEU A 98 1.105 -17.768 -0.655 1.00 34.05 H new ATOM 1581 N ILE A 99 -1.854 -20.869 -1.303 1.00 61.42 N ATOM 1582 CA ILE A 99 -3.110 -20.351 -1.857 1.00 31.23 C ATOM 1583 C ILE A 99 -4.262 -21.367 -1.720 1.00 63.50 C ATOM 1584 O ILE A 99 -5.416 -20.985 -1.511 1.00 50.33 O ATOM 1585 CB ILE A 99 -2.929 -19.953 -3.345 1.00 53.13 C ATOM 1586 CG1 ILE A 99 -1.774 -18.942 -3.483 1.00 41.14 C ATOM 1587 CG2 ILE A 99 -4.225 -19.376 -3.919 1.00 25.31 C ATOM 1588 CD1 ILE A 99 -1.478 -18.526 -4.910 1.00 63.41 C ATOM 0 H ILE A 99 -1.142 -21.077 -2.003 1.00 61.42 H new ATOM 0 HA ILE A 99 -3.375 -19.466 -1.279 1.00 31.23 H new ATOM 0 HB ILE A 99 -2.682 -20.848 -3.916 1.00 53.13 H new ATOM 0 HG12 ILE A 99 -2.013 -18.053 -2.900 1.00 41.14 H new ATOM 0 HG13 ILE A 99 -0.873 -19.375 -3.049 1.00 41.14 H new ATOM 0 HG21 ILE A 99 -4.071 -19.105 -4.963 1.00 25.31 H new ATOM 0 HG22 ILE A 99 -5.017 -20.122 -3.850 1.00 25.31 H new ATOM 0 HG23 ILE A 99 -4.511 -18.490 -3.352 1.00 25.31 H new ATOM 0 HD11 ILE A 99 -0.653 -17.814 -4.918 1.00 63.41 H new ATOM 0 HD12 ILE A 99 -1.205 -19.404 -5.496 1.00 63.41 H new ATOM 0 HD13 ILE A 99 -2.363 -18.061 -5.344 1.00 63.41 H new ATOM 1600 N SER A 100 -3.945 -22.658 -1.827 1.00 74.55 N ATOM 1601 CA SER A 100 -4.960 -23.717 -1.697 1.00 22.14 C ATOM 1602 C SER A 100 -5.574 -23.735 -0.293 1.00 25.42 C ATOM 1603 O SER A 100 -6.795 -23.798 -0.146 1.00 71.41 O ATOM 1604 CB SER A 100 -4.368 -25.098 -2.012 1.00 13.21 C ATOM 1605 OG SER A 100 -3.364 -25.457 -1.077 1.00 2.32 O ATOM 0 H SER A 100 -3.000 -23.000 -2.002 1.00 74.55 H new ATOM 0 HA SER A 100 -5.744 -23.494 -2.421 1.00 22.14 H new ATOM 0 HB2 SER A 100 -5.161 -25.846 -2.002 1.00 13.21 H new ATOM 0 HB3 SER A 100 -3.946 -25.094 -3.017 1.00 13.21 H new ATOM 0 HG SER A 100 -2.901 -24.650 -0.768 1.00 2.32 H new ATOM 1611 N PHE A 101 -4.730 -23.684 0.743 1.00 64.45 N ATOM 1612 CA PHE A 101 -5.224 -23.611 2.122 1.00 22.10 C ATOM 1613 C PHE A 101 -6.087 -22.355 2.328 1.00 5.35 C ATOM 1614 O PHE A 101 -7.131 -22.407 2.980 1.00 22.53 O ATOM 1615 CB PHE A 101 -4.058 -23.627 3.125 1.00 53.33 C ATOM 1616 CG PHE A 101 -4.502 -23.596 4.571 1.00 63.43 C ATOM 1617 CD1 PHE A 101 -5.475 -24.472 5.031 1.00 24.22 C ATOM 1618 CD2 PHE A 101 -3.946 -22.694 5.469 1.00 24.41 C ATOM 1619 CE1 PHE A 101 -5.889 -24.449 6.348 1.00 63.40 C ATOM 1620 CE2 PHE A 101 -4.357 -22.668 6.791 1.00 74.42 C ATOM 1621 CZ PHE A 101 -5.329 -23.547 7.230 1.00 1.01 C ATOM 0 H PHE A 101 -3.714 -23.692 0.655 1.00 64.45 H new ATOM 0 HA PHE A 101 -5.844 -24.490 2.301 1.00 22.10 H new ATOM 0 HB2 PHE A 101 -3.458 -24.521 2.957 1.00 53.33 H new ATOM 0 HB3 PHE A 101 -3.413 -22.769 2.933 1.00 53.33 H new ATOM 0 HD1 PHE A 101 -5.915 -25.183 4.348 1.00 24.22 H new ATOM 0 HD2 PHE A 101 -3.185 -22.006 5.133 1.00 24.41 H new ATOM 0 HE1 PHE A 101 -6.650 -25.136 6.688 1.00 63.40 H new ATOM 0 HE2 PHE A 101 -3.918 -21.961 7.479 1.00 74.42 H new ATOM 0 HZ PHE A 101 -5.650 -23.528 8.261 1.00 1.01 H new ATOM 1631 N GLY A 102 -5.650 -21.231 1.757 1.00 0.35 N ATOM 1632 CA GLY A 102 -6.445 -20.008 1.806 1.00 73.23 C ATOM 1633 C GLY A 102 -7.825 -20.184 1.177 1.00 12.42 C ATOM 1634 O GLY A 102 -8.836 -19.760 1.738 1.00 73.11 O ATOM 0 H GLY A 102 -4.762 -21.144 1.262 1.00 0.35 H new ATOM 0 HA2 GLY A 102 -6.559 -19.694 2.843 1.00 73.23 H new ATOM 0 HA3 GLY A 102 -5.912 -19.211 1.288 1.00 73.23 H new ATOM 1638 N ALA A 103 -7.859 -20.824 0.008 1.00 43.54 N ATOM 1639 CA ALA A 103 -9.116 -21.124 -0.687 1.00 72.33 C ATOM 1640 C ALA A 103 -9.977 -22.116 0.111 1.00 50.43 C ATOM 1641 O ALA A 103 -11.210 -22.050 0.094 1.00 23.22 O ATOM 1642 CB ALA A 103 -8.821 -21.679 -2.075 1.00 54.13 C ATOM 0 H ALA A 103 -7.025 -21.148 -0.482 1.00 43.54 H new ATOM 0 HA ALA A 103 -9.681 -20.196 -0.781 1.00 72.33 H new ATOM 0 HB1 ALA A 103 -9.758 -21.900 -2.585 1.00 54.13 H new ATOM 0 HB2 ALA A 103 -8.260 -20.942 -2.650 1.00 54.13 H new ATOM 0 HB3 ALA A 103 -8.234 -22.593 -1.984 1.00 54.13 H new ATOM 1648 N PHE A 104 -9.312 -23.043 0.795 1.00 21.20 N ATOM 1649 CA PHE A 104 -9.982 -24.003 1.674 1.00 63.31 C ATOM 1650 C PHE A 104 -10.687 -23.294 2.842 1.00 34.35 C ATOM 1651 O PHE A 104 -11.857 -23.568 3.135 1.00 4.31 O ATOM 1652 CB PHE A 104 -8.963 -25.025 2.204 1.00 22.53 C ATOM 1653 CG PHE A 104 -9.506 -25.914 3.293 1.00 40.13 C ATOM 1654 CD1 PHE A 104 -10.460 -26.880 3.010 1.00 74.44 C ATOM 1655 CD2 PHE A 104 -9.067 -25.775 4.603 1.00 60.33 C ATOM 1656 CE1 PHE A 104 -10.963 -27.687 4.009 1.00 32.01 C ATOM 1657 CE2 PHE A 104 -9.570 -26.580 5.604 1.00 21.04 C ATOM 1658 CZ PHE A 104 -10.518 -27.538 5.306 1.00 4.33 C ATOM 0 H PHE A 104 -8.298 -23.152 0.758 1.00 21.20 H new ATOM 0 HA PHE A 104 -10.744 -24.524 1.094 1.00 63.31 H new ATOM 0 HB2 PHE A 104 -8.621 -25.647 1.376 1.00 22.53 H new ATOM 0 HB3 PHE A 104 -8.091 -24.492 2.583 1.00 22.53 H new ATOM 0 HD1 PHE A 104 -10.813 -27.002 1.997 1.00 74.44 H new ATOM 0 HD2 PHE A 104 -8.324 -25.029 4.841 1.00 60.33 H new ATOM 0 HE1 PHE A 104 -11.705 -28.436 3.776 1.00 32.01 H new ATOM 0 HE2 PHE A 104 -9.222 -26.461 6.620 1.00 21.04 H new ATOM 0 HZ PHE A 104 -10.911 -28.171 6.088 1.00 4.33 H new ATOM 1668 N VAL A 105 -9.973 -22.388 3.509 1.00 75.45 N ATOM 1669 CA VAL A 105 -10.550 -21.612 4.610 1.00 32.42 C ATOM 1670 C VAL A 105 -11.640 -20.661 4.095 1.00 50.30 C ATOM 1671 O VAL A 105 -12.658 -20.459 4.757 1.00 75.54 O ATOM 1672 CB VAL A 105 -9.470 -20.799 5.367 1.00 24.51 C ATOM 1673 CG1 VAL A 105 -10.084 -20.040 6.545 1.00 71.34 C ATOM 1674 CG2 VAL A 105 -8.338 -21.711 5.840 1.00 64.33 C ATOM 0 H VAL A 105 -8.996 -22.172 3.308 1.00 75.45 H new ATOM 0 HA VAL A 105 -10.993 -22.326 5.305 1.00 32.42 H new ATOM 0 HB VAL A 105 -9.051 -20.068 4.676 1.00 24.51 H new ATOM 0 HG11 VAL A 105 -9.306 -19.477 7.060 1.00 71.34 H new ATOM 0 HG12 VAL A 105 -10.846 -19.353 6.178 1.00 71.34 H new ATOM 0 HG13 VAL A 105 -10.538 -20.749 7.237 1.00 71.34 H new ATOM 0 HG21 VAL A 105 -7.591 -21.119 6.369 1.00 64.33 H new ATOM 0 HG22 VAL A 105 -8.739 -22.472 6.510 1.00 64.33 H new ATOM 0 HG23 VAL A 105 -7.876 -22.193 4.979 1.00 64.33 H new ATOM 1684 N ALA A 106 -11.419 -20.091 2.908 1.00 51.34 N ATOM 1685 CA ALA A 106 -12.411 -19.220 2.261 1.00 24.30 C ATOM 1686 C ALA A 106 -13.780 -19.913 2.150 1.00 44.43 C ATOM 1687 O ALA A 106 -14.821 -19.310 2.422 1.00 64.42 O ATOM 1688 CB ALA A 106 -11.922 -18.791 0.882 1.00 10.34 C ATOM 0 H ALA A 106 -10.560 -20.216 2.372 1.00 51.34 H new ATOM 0 HA ALA A 106 -12.534 -18.335 2.885 1.00 24.30 H new ATOM 0 HB1 ALA A 106 -12.667 -18.147 0.416 1.00 10.34 H new ATOM 0 HB2 ALA A 106 -10.983 -18.246 0.982 1.00 10.34 H new ATOM 0 HB3 ALA A 106 -11.765 -19.673 0.261 1.00 10.34 H new ATOM 1694 N LYS A 107 -13.766 -21.187 1.747 1.00 62.11 N ATOM 1695 CA LYS A 107 -14.984 -22.011 1.721 1.00 15.41 C ATOM 1696 C LYS A 107 -15.666 -22.031 3.104 1.00 53.24 C ATOM 1697 O LYS A 107 -16.881 -21.834 3.221 1.00 25.44 O ATOM 1698 CB LYS A 107 -14.650 -23.451 1.293 1.00 1.52 C ATOM 1699 CG LYS A 107 -14.066 -23.576 -0.115 1.00 52.13 C ATOM 1700 CD LYS A 107 -13.784 -25.037 -0.479 1.00 50.14 C ATOM 1701 CE LYS A 107 -13.293 -25.193 -1.918 1.00 44.31 C ATOM 1702 NZ LYS A 107 -11.953 -24.581 -2.139 1.00 2.11 N ATOM 0 H LYS A 107 -12.926 -21.673 1.434 1.00 62.11 H new ATOM 0 HA LYS A 107 -15.669 -21.569 0.998 1.00 15.41 H new ATOM 0 HB2 LYS A 107 -13.941 -23.873 2.005 1.00 1.52 H new ATOM 0 HB3 LYS A 107 -15.557 -24.053 1.351 1.00 1.52 H new ATOM 0 HG2 LYS A 107 -14.761 -23.148 -0.837 1.00 52.13 H new ATOM 0 HG3 LYS A 107 -13.143 -22.999 -0.180 1.00 52.13 H new ATOM 0 HD2 LYS A 107 -13.036 -25.441 0.203 1.00 50.14 H new ATOM 0 HD3 LYS A 107 -14.692 -25.625 -0.342 1.00 50.14 H new ATOM 0 HE2 LYS A 107 -13.250 -26.253 -2.170 1.00 44.31 H new ATOM 0 HE3 LYS A 107 -14.013 -24.734 -2.595 1.00 44.31 H new ATOM 0 HZ1 LYS A 107 -11.793 -24.455 -3.159 1.00 2.11 H new ATOM 0 HZ2 LYS A 107 -11.911 -23.656 -1.665 1.00 2.11 H new ATOM 0 HZ3 LYS A 107 -11.218 -25.204 -1.747 1.00 2.11 H new ATOM 1716 N HIS A 108 -14.870 -22.265 4.150 1.00 5.44 N ATOM 1717 CA HIS A 108 -15.379 -22.289 5.526 1.00 13.24 C ATOM 1718 C HIS A 108 -15.889 -20.908 5.964 1.00 43.44 C ATOM 1719 O HIS A 108 -16.845 -20.809 6.734 1.00 72.20 O ATOM 1720 CB HIS A 108 -14.292 -22.774 6.497 1.00 20.53 C ATOM 1721 CG HIS A 108 -14.776 -22.960 7.909 1.00 74.11 C ATOM 1722 ND1 HIS A 108 -15.405 -24.107 8.344 1.00 24.02 N ATOM 1723 CD2 HIS A 108 -14.724 -22.137 8.986 1.00 13.31 C ATOM 1724 CE1 HIS A 108 -15.719 -23.984 9.617 1.00 42.42 C ATOM 1725 NE2 HIS A 108 -15.316 -22.801 10.031 1.00 5.24 N ATOM 0 H HIS A 108 -13.868 -22.441 4.071 1.00 5.44 H new ATOM 0 HA HIS A 108 -16.217 -22.985 5.550 1.00 13.24 H new ATOM 0 HB2 HIS A 108 -13.889 -23.720 6.134 1.00 20.53 H new ATOM 0 HB3 HIS A 108 -13.471 -22.057 6.496 1.00 20.53 H new ATOM 0 HD2 HIS A 108 -14.297 -21.145 9.016 1.00 13.31 H new ATOM 0 HE1 HIS A 108 -16.221 -24.727 10.219 1.00 42.42 H new ATOM 0 HE2 HIS A 108 -15.426 -22.436 10.977 1.00 5.24 H new ATOM 1734 N LEU A 109 -15.244 -19.846 5.480 1.00 74.21 N ATOM 1735 CA LEU A 109 -15.650 -18.478 5.818 1.00 4.40 C ATOM 1736 C LEU A 109 -17.070 -18.184 5.317 1.00 20.31 C ATOM 1737 O LEU A 109 -17.916 -17.719 6.077 1.00 24.44 O ATOM 1738 CB LEU A 109 -14.661 -17.459 5.237 1.00 41.02 C ATOM 1739 CG LEU A 109 -13.236 -17.514 5.816 1.00 72.34 C ATOM 1740 CD1 LEU A 109 -12.348 -16.468 5.152 1.00 4.34 C ATOM 1741 CD2 LEU A 109 -13.259 -17.319 7.331 1.00 53.02 C ATOM 0 H LEU A 109 -14.440 -19.904 4.854 1.00 74.21 H new ATOM 0 HA LEU A 109 -15.645 -18.389 6.904 1.00 4.40 H new ATOM 0 HB2 LEU A 109 -14.602 -17.610 4.159 1.00 41.02 H new ATOM 0 HB3 LEU A 109 -15.061 -16.458 5.398 1.00 41.02 H new ATOM 0 HG LEU A 109 -12.820 -18.500 5.607 1.00 72.34 H new ATOM 0 HD11 LEU A 109 -11.344 -16.522 5.574 1.00 4.34 H new ATOM 0 HD12 LEU A 109 -12.301 -16.658 4.080 1.00 4.34 H new ATOM 0 HD13 LEU A 109 -12.762 -15.475 5.327 1.00 4.34 H new ATOM 0 HD21 LEU A 109 -12.241 -17.362 7.719 1.00 53.02 H new ATOM 0 HD22 LEU A 109 -13.697 -16.349 7.566 1.00 53.02 H new ATOM 0 HD23 LEU A 109 -13.856 -18.107 7.790 1.00 53.02 H new ATOM 1753 N LYS A 110 -17.335 -18.479 4.045 1.00 55.35 N ATOM 1754 CA LYS A 110 -18.691 -18.338 3.497 1.00 45.54 C ATOM 1755 C LYS A 110 -19.680 -19.221 4.275 1.00 62.41 C ATOM 1756 O LYS A 110 -20.792 -18.798 4.597 1.00 14.43 O ATOM 1757 CB LYS A 110 -18.715 -18.706 2.005 1.00 13.34 C ATOM 1758 CG LYS A 110 -20.109 -18.653 1.381 1.00 0.30 C ATOM 1759 CD LYS A 110 -20.086 -19.015 -0.101 1.00 54.21 C ATOM 1760 CE LYS A 110 -21.490 -19.061 -0.694 1.00 44.05 C ATOM 1761 NZ LYS A 110 -22.333 -20.103 -0.051 1.00 13.13 N ATOM 0 H LYS A 110 -16.640 -18.814 3.378 1.00 55.35 H new ATOM 0 HA LYS A 110 -18.993 -17.296 3.602 1.00 45.54 H new ATOM 0 HB2 LYS A 110 -18.058 -18.027 1.462 1.00 13.34 H new ATOM 0 HB3 LYS A 110 -18.309 -19.710 1.881 1.00 13.34 H new ATOM 0 HG2 LYS A 110 -20.770 -19.339 1.911 1.00 0.30 H new ATOM 0 HG3 LYS A 110 -20.523 -17.652 1.503 1.00 0.30 H new ATOM 0 HD2 LYS A 110 -19.486 -18.285 -0.644 1.00 54.21 H new ATOM 0 HD3 LYS A 110 -19.604 -19.984 -0.231 1.00 54.21 H new ATOM 0 HE2 LYS A 110 -21.965 -18.087 -0.576 1.00 44.05 H new ATOM 0 HE3 LYS A 110 -21.425 -19.257 -1.764 1.00 44.05 H new ATOM 0 HZ1 LYS A 110 -23.166 -20.290 -0.644 1.00 13.13 H new ATOM 0 HZ2 LYS A 110 -21.781 -20.978 0.057 1.00 13.13 H new ATOM 0 HZ3 LYS A 110 -22.642 -19.771 0.885 1.00 13.13 H new ATOM 1775 N THR A 111 -19.247 -20.443 4.591 1.00 21.12 N ATOM 1776 CA THR A 111 -20.052 -21.385 5.384 1.00 25.25 C ATOM 1777 C THR A 111 -20.511 -20.765 6.717 1.00 30.45 C ATOM 1778 O THR A 111 -21.677 -20.882 7.094 1.00 24.44 O ATOM 1779 CB THR A 111 -19.272 -22.696 5.677 1.00 34.22 C ATOM 1780 OG1 THR A 111 -18.988 -23.395 4.452 1.00 15.31 O ATOM 1781 CG2 THR A 111 -20.049 -23.617 6.614 1.00 64.12 C ATOM 0 H THR A 111 -18.337 -20.809 4.309 1.00 21.12 H new ATOM 0 HA THR A 111 -20.930 -21.618 4.782 1.00 25.25 H new ATOM 0 HB THR A 111 -18.339 -22.415 6.166 1.00 34.22 H new ATOM 0 HG1 THR A 111 -18.267 -22.936 3.973 1.00 15.31 H new ATOM 0 HG21 THR A 111 -19.471 -24.523 6.795 1.00 64.12 H new ATOM 0 HG22 THR A 111 -20.229 -23.106 7.560 1.00 64.12 H new ATOM 0 HG23 THR A 111 -21.003 -23.880 6.157 1.00 64.12 H new ATOM 1789 N ILE A 112 -19.592 -20.099 7.419 1.00 13.33 N ATOM 1790 CA ILE A 112 -19.905 -19.472 8.715 1.00 33.34 C ATOM 1791 C ILE A 112 -20.305 -17.988 8.561 1.00 13.41 C ATOM 1792 O ILE A 112 -20.300 -17.230 9.533 1.00 31.11 O ATOM 1793 CB ILE A 112 -18.708 -19.590 9.697 1.00 3.11 C ATOM 1794 CG1 ILE A 112 -17.469 -18.871 9.136 1.00 41.31 C ATOM 1795 CG2 ILE A 112 -18.396 -21.059 9.983 1.00 24.25 C ATOM 1796 CD1 ILE A 112 -16.254 -18.927 10.043 1.00 1.10 C ATOM 0 H ILE A 112 -18.625 -19.977 7.117 1.00 13.33 H new ATOM 0 HA ILE A 112 -20.758 -20.013 9.124 1.00 33.34 H new ATOM 0 HB ILE A 112 -18.984 -19.107 10.634 1.00 3.11 H new ATOM 0 HG12 ILE A 112 -17.211 -19.313 8.174 1.00 41.31 H new ATOM 0 HG13 ILE A 112 -17.722 -17.827 8.950 1.00 41.31 H new ATOM 0 HG21 ILE A 112 -17.555 -21.125 10.673 1.00 24.25 H new ATOM 0 HG22 ILE A 112 -19.269 -21.536 10.429 1.00 24.25 H new ATOM 0 HG23 ILE A 112 -18.142 -21.565 9.052 1.00 24.25 H new ATOM 0 HD11 ILE A 112 -15.425 -18.397 9.574 1.00 1.10 H new ATOM 0 HD12 ILE A 112 -16.491 -18.458 10.998 1.00 1.10 H new ATOM 0 HD13 ILE A 112 -15.972 -19.967 10.210 1.00 1.10 H new ATOM 1808 N ASN A 113 -20.661 -17.595 7.333 1.00 72.34 N ATOM 1809 CA ASN A 113 -21.151 -16.236 7.021 1.00 52.45 C ATOM 1810 C ASN A 113 -20.048 -15.157 7.087 1.00 13.13 C ATOM 1811 O ASN A 113 -20.332 -13.966 6.946 1.00 34.32 O ATOM 1812 CB ASN A 113 -22.322 -15.851 7.936 1.00 62.11 C ATOM 1813 CG ASN A 113 -23.501 -16.799 7.802 1.00 52.43 C ATOM 1814 OD1 ASN A 113 -24.350 -16.636 6.932 1.00 20.14 O ATOM 1815 ND2 ASN A 113 -23.570 -17.790 8.667 1.00 23.22 N ATOM 0 H ASN A 113 -20.619 -18.209 6.520 1.00 72.34 H new ATOM 0 HA ASN A 113 -21.495 -16.272 5.987 1.00 52.45 H new ATOM 0 HB2 ASN A 113 -21.982 -15.843 8.972 1.00 62.11 H new ATOM 0 HB3 ASN A 113 -22.646 -14.838 7.699 1.00 62.11 H new ATOM 0 HD21 ASN A 113 -24.346 -18.450 8.625 1.00 23.22 H new ATOM 0 HD22 ASN A 113 -22.847 -17.897 9.378 1.00 23.22 H new ATOM 1822 N GLN A 114 -18.798 -15.574 7.273 1.00 74.22 N ATOM 1823 CA GLN A 114 -17.649 -14.651 7.278 1.00 44.55 C ATOM 1824 C GLN A 114 -17.189 -14.317 5.843 1.00 73.15 C ATOM 1825 O GLN A 114 -15.992 -14.293 5.552 1.00 40.34 O ATOM 1826 CB GLN A 114 -16.488 -15.277 8.067 1.00 34.33 C ATOM 1827 CG GLN A 114 -16.724 -15.365 9.572 1.00 51.24 C ATOM 1828 CD GLN A 114 -16.662 -14.011 10.260 1.00 40.24 C ATOM 1829 OE1 GLN A 114 -17.666 -13.323 10.415 1.00 23.41 O ATOM 1830 NE2 GLN A 114 -15.477 -13.615 10.672 1.00 12.34 N ATOM 0 H GLN A 114 -18.547 -16.551 7.424 1.00 74.22 H new ATOM 0 HA GLN A 114 -17.960 -13.722 7.755 1.00 44.55 H new ATOM 0 HB2 GLN A 114 -16.302 -16.279 7.682 1.00 34.33 H new ATOM 0 HB3 GLN A 114 -15.585 -14.693 7.887 1.00 34.33 H new ATOM 0 HG2 GLN A 114 -17.699 -15.816 9.756 1.00 51.24 H new ATOM 0 HG3 GLN A 114 -15.978 -16.026 10.014 1.00 51.24 H new ATOM 0 HE21 GLN A 114 -14.662 -14.211 10.528 1.00 12.34 H new ATOM 0 HE22 GLN A 114 -15.374 -12.712 11.136 1.00 12.34 H new ATOM 1839 N GLU A 115 -18.151 -14.019 4.970 1.00 34.53 N ATOM 1840 CA GLU A 115 -17.888 -13.761 3.543 1.00 74.42 C ATOM 1841 C GLU A 115 -16.851 -12.636 3.352 1.00 30.02 C ATOM 1842 O GLU A 115 -15.941 -12.744 2.528 1.00 23.14 O ATOM 1843 CB GLU A 115 -19.219 -13.404 2.847 1.00 11.11 C ATOM 1844 CG GLU A 115 -19.270 -13.666 1.337 1.00 50.45 C ATOM 1845 CD GLU A 115 -18.424 -12.711 0.505 1.00 71.33 C ATOM 1846 OE1 GLU A 115 -18.494 -11.482 0.728 1.00 24.12 O ATOM 1847 OE2 GLU A 115 -17.701 -13.181 -0.393 1.00 55.32 O ATOM 0 H GLU A 115 -19.136 -13.948 5.226 1.00 34.53 H new ATOM 0 HA GLU A 115 -17.467 -14.660 3.093 1.00 74.42 H new ATOM 0 HB2 GLU A 115 -20.020 -13.970 3.323 1.00 11.11 H new ATOM 0 HB3 GLU A 115 -19.427 -12.348 3.021 1.00 11.11 H new ATOM 0 HG2 GLU A 115 -18.938 -14.687 1.146 1.00 50.45 H new ATOM 0 HG3 GLU A 115 -20.306 -13.600 1.004 1.00 50.45 H new ATOM 1854 N SER A 116 -16.987 -11.567 4.132 1.00 31.32 N ATOM 1855 CA SER A 116 -16.060 -10.424 4.065 1.00 61.42 C ATOM 1856 C SER A 116 -14.624 -10.827 4.435 1.00 4.51 C ATOM 1857 O SER A 116 -13.660 -10.313 3.869 1.00 21.43 O ATOM 1858 CB SER A 116 -16.533 -9.305 5.002 1.00 34.23 C ATOM 1859 OG SER A 116 -16.571 -9.748 6.353 1.00 71.52 O ATOM 0 H SER A 116 -17.730 -11.462 4.822 1.00 31.32 H new ATOM 0 HA SER A 116 -16.056 -10.069 3.034 1.00 61.42 H new ATOM 0 HB2 SER A 116 -15.865 -8.448 4.916 1.00 34.23 H new ATOM 0 HB3 SER A 116 -17.524 -8.968 4.699 1.00 34.23 H new ATOM 0 HG SER A 116 -16.874 -9.015 6.929 1.00 71.52 H new ATOM 1865 N SER A 117 -14.493 -11.768 5.372 1.00 53.41 N ATOM 1866 CA SER A 117 -13.178 -12.205 5.882 1.00 11.24 C ATOM 1867 C SER A 117 -12.275 -12.770 4.771 1.00 54.53 C ATOM 1868 O SER A 117 -11.047 -12.756 4.887 1.00 75.54 O ATOM 1869 CB SER A 117 -13.348 -13.244 7.000 1.00 11.34 C ATOM 1870 OG SER A 117 -14.040 -12.692 8.112 1.00 24.10 O ATOM 0 H SER A 117 -15.284 -12.249 5.800 1.00 53.41 H new ATOM 0 HA SER A 117 -12.687 -11.319 6.284 1.00 11.24 H new ATOM 0 HB2 SER A 117 -13.895 -14.106 6.619 1.00 11.34 H new ATOM 0 HB3 SER A 117 -12.369 -13.603 7.319 1.00 11.34 H new ATOM 0 HG SER A 117 -13.634 -13.015 8.943 1.00 24.10 H new ATOM 1876 N ILE A 118 -12.889 -13.286 3.708 1.00 13.31 N ATOM 1877 CA ILE A 118 -12.151 -13.877 2.581 1.00 32.55 C ATOM 1878 C ILE A 118 -11.094 -12.912 1.997 1.00 62.20 C ATOM 1879 O ILE A 118 -9.983 -13.327 1.658 1.00 40.35 O ATOM 1880 CB ILE A 118 -13.127 -14.321 1.459 1.00 3.10 C ATOM 1881 CG1 ILE A 118 -14.145 -15.336 2.015 1.00 3.12 C ATOM 1882 CG2 ILE A 118 -12.364 -14.913 0.270 1.00 24.44 C ATOM 1883 CD1 ILE A 118 -15.218 -15.737 1.026 1.00 61.24 C ATOM 0 H ILE A 118 -13.903 -13.309 3.599 1.00 13.31 H new ATOM 0 HA ILE A 118 -11.626 -14.747 2.975 1.00 32.55 H new ATOM 0 HB ILE A 118 -13.667 -13.443 1.103 1.00 3.10 H new ATOM 0 HG12 ILE A 118 -13.612 -16.230 2.339 1.00 3.12 H new ATOM 0 HG13 ILE A 118 -14.621 -14.911 2.899 1.00 3.12 H new ATOM 0 HG21 ILE A 118 -13.071 -15.216 -0.502 1.00 24.44 H new ATOM 0 HG22 ILE A 118 -11.684 -14.164 -0.135 1.00 24.44 H new ATOM 0 HG23 ILE A 118 -11.793 -15.781 0.600 1.00 24.44 H new ATOM 0 HD11 ILE A 118 -15.894 -16.453 1.493 1.00 61.24 H new ATOM 0 HD12 ILE A 118 -15.779 -14.854 0.720 1.00 61.24 H new ATOM 0 HD13 ILE A 118 -14.754 -16.193 0.151 1.00 61.24 H new ATOM 1895 N GLU A 119 -11.433 -11.623 1.902 1.00 11.30 N ATOM 1896 CA GLU A 119 -10.523 -10.627 1.309 1.00 40.40 C ATOM 1897 C GLU A 119 -9.263 -10.377 2.174 1.00 12.44 C ATOM 1898 O GLU A 119 -8.143 -10.542 1.684 1.00 63.35 O ATOM 1899 CB GLU A 119 -11.264 -9.310 1.018 1.00 62.40 C ATOM 1900 CG GLU A 119 -12.318 -9.436 -0.078 1.00 31.13 C ATOM 1901 CD GLU A 119 -13.049 -8.132 -0.365 1.00 42.32 C ATOM 1902 OE1 GLU A 119 -12.385 -7.080 -0.479 1.00 73.12 O ATOM 1903 OE2 GLU A 119 -14.292 -8.157 -0.508 1.00 60.24 O ATOM 0 H GLU A 119 -12.323 -11.242 2.224 1.00 11.30 H new ATOM 0 HA GLU A 119 -10.174 -11.045 0.365 1.00 40.40 H new ATOM 0 HB2 GLU A 119 -11.742 -8.961 1.933 1.00 62.40 H new ATOM 0 HB3 GLU A 119 -10.538 -8.550 0.728 1.00 62.40 H new ATOM 0 HG2 GLU A 119 -11.840 -9.785 -0.993 1.00 31.13 H new ATOM 0 HG3 GLU A 119 -13.044 -10.195 0.212 1.00 31.13 H new ATOM 1910 N PRO A 120 -9.396 -9.979 3.465 1.00 73.54 N ATOM 1911 CA PRO A 120 -8.227 -9.808 4.348 1.00 15.22 C ATOM 1912 C PRO A 120 -7.377 -11.088 4.446 1.00 72.44 C ATOM 1913 O PRO A 120 -6.165 -11.025 4.673 1.00 14.42 O ATOM 1914 CB PRO A 120 -8.836 -9.441 5.714 1.00 34.51 C ATOM 1915 CG PRO A 120 -10.282 -9.799 5.614 1.00 24.41 C ATOM 1916 CD PRO A 120 -10.650 -9.647 4.163 1.00 45.21 C ATOM 0 HA PRO A 120 -7.544 -9.047 3.970 1.00 15.22 H new ATOM 0 HB2 PRO A 120 -8.350 -9.990 6.521 1.00 34.51 H new ATOM 0 HB3 PRO A 120 -8.708 -8.380 5.929 1.00 34.51 H new ATOM 0 HG2 PRO A 120 -10.455 -10.820 5.955 1.00 24.41 H new ATOM 0 HG3 PRO A 120 -10.889 -9.146 6.241 1.00 24.41 H new ATOM 0 HD2 PRO A 120 -11.460 -10.320 3.880 1.00 45.21 H new ATOM 0 HD3 PRO A 120 -10.982 -8.634 3.935 1.00 45.21 H new ATOM 1924 N LEU A 121 -8.019 -12.250 4.278 1.00 75.25 N ATOM 1925 CA LEU A 121 -7.303 -13.532 4.232 1.00 23.13 C ATOM 1926 C LEU A 121 -6.415 -13.595 2.981 1.00 10.14 C ATOM 1927 O LEU A 121 -5.236 -13.957 3.056 1.00 72.55 O ATOM 1928 CB LEU A 121 -8.310 -14.700 4.273 1.00 15.13 C ATOM 1929 CG LEU A 121 -7.732 -16.089 4.628 1.00 25.12 C ATOM 1930 CD1 LEU A 121 -8.845 -17.037 5.061 1.00 73.40 C ATOM 1931 CD2 LEU A 121 -6.962 -16.695 3.457 1.00 3.42 C ATOM 0 H LEU A 121 -9.030 -12.330 4.172 1.00 75.25 H new ATOM 0 HA LEU A 121 -6.655 -13.618 5.105 1.00 23.13 H new ATOM 0 HB2 LEU A 121 -9.087 -14.457 4.998 1.00 15.13 H new ATOM 0 HB3 LEU A 121 -8.794 -14.769 3.299 1.00 15.13 H new ATOM 0 HG LEU A 121 -7.036 -15.950 5.455 1.00 25.12 H new ATOM 0 HD11 LEU A 121 -8.419 -18.010 5.307 1.00 73.40 H new ATOM 0 HD12 LEU A 121 -9.350 -16.630 5.937 1.00 73.40 H new ATOM 0 HD13 LEU A 121 -9.563 -17.150 4.249 1.00 73.40 H new ATOM 0 HD21 LEU A 121 -6.571 -17.671 3.745 1.00 3.42 H new ATOM 0 HD22 LEU A 121 -7.629 -16.809 2.603 1.00 3.42 H new ATOM 0 HD23 LEU A 121 -6.135 -16.038 3.186 1.00 3.42 H new ATOM 1943 N ALA A 122 -6.982 -13.219 1.837 1.00 60.22 N ATOM 1944 CA ALA A 122 -6.225 -13.138 0.586 1.00 62.41 C ATOM 1945 C ALA A 122 -5.032 -12.179 0.716 1.00 11.22 C ATOM 1946 O ALA A 122 -3.972 -12.398 0.120 1.00 21.30 O ATOM 1947 CB ALA A 122 -7.141 -12.696 -0.547 1.00 24.34 C ATOM 0 H ALA A 122 -7.966 -12.965 1.749 1.00 60.22 H new ATOM 0 HA ALA A 122 -5.831 -14.129 0.361 1.00 62.41 H new ATOM 0 HB1 ALA A 122 -6.571 -12.638 -1.474 1.00 24.34 H new ATOM 0 HB2 ALA A 122 -7.950 -13.417 -0.663 1.00 24.34 H new ATOM 0 HB3 ALA A 122 -7.559 -11.716 -0.316 1.00 24.34 H new ATOM 1953 N GLU A 123 -5.211 -11.116 1.502 1.00 43.13 N ATOM 1954 CA GLU A 123 -4.120 -10.182 1.786 1.00 74.53 C ATOM 1955 C GLU A 123 -2.991 -10.872 2.563 1.00 0.34 C ATOM 1956 O GLU A 123 -1.824 -10.734 2.214 1.00 3.02 O ATOM 1957 CB GLU A 123 -4.623 -8.965 2.573 1.00 4.41 C ATOM 1958 CG GLU A 123 -5.713 -8.171 1.863 1.00 23.44 C ATOM 1959 CD GLU A 123 -5.957 -6.816 2.509 1.00 11.50 C ATOM 1960 OE1 GLU A 123 -6.652 -6.751 3.549 1.00 42.41 O ATOM 1961 OE2 GLU A 123 -5.438 -5.806 1.990 1.00 64.54 O ATOM 0 H GLU A 123 -6.096 -10.881 1.951 1.00 43.13 H new ATOM 0 HA GLU A 123 -3.728 -9.840 0.828 1.00 74.53 H new ATOM 0 HB2 GLU A 123 -5.004 -9.302 3.537 1.00 4.41 H new ATOM 0 HB3 GLU A 123 -3.781 -8.304 2.776 1.00 4.41 H new ATOM 0 HG2 GLU A 123 -5.433 -8.028 0.819 1.00 23.44 H new ATOM 0 HG3 GLU A 123 -6.639 -8.745 1.869 1.00 23.44 H new ATOM 1968 N SER A 124 -3.347 -11.621 3.612 1.00 0.20 N ATOM 1969 CA SER A 124 -2.356 -12.380 4.399 1.00 22.31 C ATOM 1970 C SER A 124 -1.540 -13.326 3.503 1.00 53.42 C ATOM 1971 O SER A 124 -0.316 -13.412 3.623 1.00 10.30 O ATOM 1972 CB SER A 124 -3.041 -13.190 5.516 1.00 1.45 C ATOM 1973 OG SER A 124 -3.670 -12.342 6.470 1.00 13.12 O ATOM 0 H SER A 124 -4.308 -11.721 3.939 1.00 0.20 H new ATOM 0 HA SER A 124 -1.679 -11.655 4.851 1.00 22.31 H new ATOM 0 HB2 SER A 124 -3.782 -13.859 5.079 1.00 1.45 H new ATOM 0 HB3 SER A 124 -2.303 -13.816 6.017 1.00 1.45 H new ATOM 0 HG SER A 124 -3.861 -12.852 7.285 1.00 13.12 H new ATOM 1979 N ILE A 125 -2.229 -14.027 2.602 1.00 0.23 N ATOM 1980 CA ILE A 125 -1.571 -14.920 1.639 1.00 52.41 C ATOM 1981 C ILE A 125 -0.578 -14.146 0.753 1.00 44.23 C ATOM 1982 O ILE A 125 0.600 -14.496 0.659 1.00 30.33 O ATOM 1983 CB ILE A 125 -2.616 -15.622 0.730 1.00 53.41 C ATOM 1984 CG1 ILE A 125 -3.617 -16.432 1.572 1.00 30.11 C ATOM 1985 CG2 ILE A 125 -1.932 -16.523 -0.299 1.00 41.02 C ATOM 1986 CD1 ILE A 125 -2.988 -17.564 2.360 1.00 34.22 C ATOM 0 H ILE A 125 -3.245 -13.996 2.516 1.00 0.23 H new ATOM 0 HA ILE A 125 -1.029 -15.670 2.215 1.00 52.41 H new ATOM 0 HB ILE A 125 -3.164 -14.848 0.193 1.00 53.41 H new ATOM 0 HG12 ILE A 125 -4.122 -15.758 2.264 1.00 30.11 H new ATOM 0 HG13 ILE A 125 -4.381 -16.843 0.913 1.00 30.11 H new ATOM 0 HG21 ILE A 125 -2.687 -17.002 -0.922 1.00 41.02 H new ATOM 0 HG22 ILE A 125 -1.271 -15.924 -0.926 1.00 41.02 H new ATOM 0 HG23 ILE A 125 -1.349 -17.286 0.216 1.00 41.02 H new ATOM 0 HD11 ILE A 125 -3.759 -18.086 2.927 1.00 34.22 H new ATOM 0 HD12 ILE A 125 -2.507 -18.262 1.674 1.00 34.22 H new ATOM 0 HD13 ILE A 125 -2.244 -17.160 3.047 1.00 34.22 H new ATOM 1998 N THR A 126 -1.070 -13.078 0.122 1.00 63.00 N ATOM 1999 CA THR A 126 -0.250 -12.242 -0.769 1.00 4.00 C ATOM 2000 C THR A 126 0.903 -11.568 -0.009 1.00 75.55 C ATOM 2001 O THR A 126 2.005 -11.417 -0.538 1.00 3.44 O ATOM 2002 CB THR A 126 -1.106 -11.142 -1.456 1.00 20.41 C ATOM 2003 OG1 THR A 126 -2.240 -11.730 -2.113 1.00 42.23 O ATOM 2004 CG2 THR A 126 -0.286 -10.355 -2.476 1.00 63.42 C ATOM 0 H THR A 126 -2.037 -12.767 0.210 1.00 63.00 H new ATOM 0 HA THR A 126 0.162 -12.908 -1.527 1.00 4.00 H new ATOM 0 HB THR A 126 -1.445 -10.457 -0.679 1.00 20.41 H new ATOM 0 HG1 THR A 126 -2.902 -12.000 -1.443 1.00 42.23 H new ATOM 0 HG21 THR A 126 -0.914 -9.594 -2.938 1.00 63.42 H new ATOM 0 HG22 THR A 126 0.555 -9.876 -1.975 1.00 63.42 H new ATOM 0 HG23 THR A 126 0.087 -11.033 -3.244 1.00 63.42 H new ATOM 2012 N ASP A 127 0.645 -11.177 1.239 1.00 11.43 N ATOM 2013 CA ASP A 127 1.644 -10.492 2.064 1.00 2.50 C ATOM 2014 C ASP A 127 2.880 -11.369 2.288 1.00 34.04 C ATOM 2015 O ASP A 127 4.003 -10.943 2.025 1.00 73.02 O ATOM 2016 CB ASP A 127 1.037 -10.091 3.414 1.00 61.02 C ATOM 2017 CG ASP A 127 2.055 -9.432 4.332 1.00 10.42 C ATOM 2018 OD1 ASP A 127 2.370 -8.242 4.120 1.00 2.13 O ATOM 2019 OD2 ASP A 127 2.560 -10.107 5.257 1.00 74.04 O ATOM 0 H ASP A 127 -0.251 -11.323 1.704 1.00 11.43 H new ATOM 0 HA ASP A 127 1.956 -9.595 1.530 1.00 2.50 H new ATOM 0 HB2 ASP A 127 0.205 -9.407 3.247 1.00 61.02 H new ATOM 0 HB3 ASP A 127 0.629 -10.975 3.903 1.00 61.02 H new ATOM 2024 N VAL A 128 2.668 -12.600 2.754 1.00 3.33 N ATOM 2025 CA VAL A 128 3.774 -13.539 2.978 1.00 34.13 C ATOM 2026 C VAL A 128 4.465 -13.900 1.655 1.00 45.24 C ATOM 2027 O VAL A 128 5.690 -14.031 1.589 1.00 3.14 O ATOM 2028 CB VAL A 128 3.287 -14.832 3.676 1.00 34.34 C ATOM 2029 CG1 VAL A 128 4.450 -15.799 3.905 1.00 34.31 C ATOM 2030 CG2 VAL A 128 2.592 -14.495 4.995 1.00 73.51 C ATOM 0 H VAL A 128 1.746 -12.972 2.984 1.00 3.33 H new ATOM 0 HA VAL A 128 4.490 -13.040 3.631 1.00 34.13 H new ATOM 0 HB VAL A 128 2.566 -15.324 3.023 1.00 34.34 H new ATOM 0 HG11 VAL A 128 4.083 -16.700 4.397 1.00 34.31 H new ATOM 0 HG12 VAL A 128 4.896 -16.065 2.947 1.00 34.31 H new ATOM 0 HG13 VAL A 128 5.201 -15.322 4.535 1.00 34.31 H new ATOM 0 HG21 VAL A 128 2.255 -15.414 5.474 1.00 73.51 H new ATOM 0 HG22 VAL A 128 3.291 -13.978 5.653 1.00 73.51 H new ATOM 0 HG23 VAL A 128 1.734 -13.852 4.800 1.00 73.51 H new ATOM 2040 N LEU A 129 3.663 -14.042 0.604 1.00 31.15 N ATOM 2041 CA LEU A 129 4.172 -14.316 -0.742 1.00 30.21 C ATOM 2042 C LEU A 129 5.189 -13.241 -1.180 1.00 44.11 C ATOM 2043 O LEU A 129 6.321 -13.550 -1.563 1.00 51.33 O ATOM 2044 CB LEU A 129 2.993 -14.359 -1.727 1.00 61.41 C ATOM 2045 CG LEU A 129 3.337 -14.759 -3.168 1.00 71.53 C ATOM 2046 CD1 LEU A 129 3.834 -16.198 -3.216 1.00 5.45 C ATOM 2047 CD2 LEU A 129 2.126 -14.572 -4.081 1.00 42.23 C ATOM 0 H LEU A 129 2.647 -13.971 0.657 1.00 31.15 H new ATOM 0 HA LEU A 129 4.684 -15.278 -0.735 1.00 30.21 H new ATOM 0 HB2 LEU A 129 2.250 -15.059 -1.344 1.00 61.41 H new ATOM 0 HB3 LEU A 129 2.524 -13.375 -1.746 1.00 61.41 H new ATOM 0 HG LEU A 129 4.135 -14.109 -3.527 1.00 71.53 H new ATOM 0 HD11 LEU A 129 4.074 -16.466 -4.245 1.00 5.45 H new ATOM 0 HD12 LEU A 129 4.727 -16.295 -2.598 1.00 5.45 H new ATOM 0 HD13 LEU A 129 3.058 -16.864 -2.839 1.00 5.45 H new ATOM 0 HD21 LEU A 129 2.389 -14.861 -5.099 1.00 42.23 H new ATOM 0 HD22 LEU A 129 1.305 -15.195 -3.728 1.00 42.23 H new ATOM 0 HD23 LEU A 129 1.819 -13.526 -4.069 1.00 42.23 H new ATOM 2059 N VAL A 130 4.778 -11.977 -1.086 1.00 54.23 N ATOM 2060 CA VAL A 130 5.631 -10.836 -1.447 1.00 53.31 C ATOM 2061 C VAL A 130 6.691 -10.556 -0.361 1.00 75.35 C ATOM 2062 O VAL A 130 7.748 -9.986 -0.634 1.00 44.11 O ATOM 2063 CB VAL A 130 4.767 -9.564 -1.681 1.00 43.10 C ATOM 2064 CG1 VAL A 130 5.631 -8.364 -2.067 1.00 74.02 C ATOM 2065 CG2 VAL A 130 3.703 -9.827 -2.748 1.00 11.22 C ATOM 0 H VAL A 130 3.849 -11.711 -0.759 1.00 54.23 H new ATOM 0 HA VAL A 130 6.150 -11.094 -2.370 1.00 53.31 H new ATOM 0 HB VAL A 130 4.268 -9.324 -0.742 1.00 43.10 H new ATOM 0 HG11 VAL A 130 4.995 -7.493 -2.223 1.00 74.02 H new ATOM 0 HG12 VAL A 130 6.342 -8.156 -1.268 1.00 74.02 H new ATOM 0 HG13 VAL A 130 6.173 -8.587 -2.986 1.00 74.02 H new ATOM 0 HG21 VAL A 130 3.108 -8.926 -2.898 1.00 11.22 H new ATOM 0 HG22 VAL A 130 4.187 -10.103 -3.685 1.00 11.22 H new ATOM 0 HG23 VAL A 130 3.054 -10.640 -2.422 1.00 11.22 H new ATOM 2075 N ARG A 131 6.400 -10.975 0.868 1.00 1.25 N ATOM 2076 CA ARG A 131 7.294 -10.759 2.015 1.00 73.44 C ATOM 2077 C ARG A 131 8.694 -11.358 1.784 1.00 73.31 C ATOM 2078 O ARG A 131 9.707 -10.709 2.049 1.00 32.52 O ATOM 2079 CB ARG A 131 6.671 -11.384 3.274 1.00 73.41 C ATOM 2080 CG ARG A 131 7.449 -11.142 4.565 1.00 31.12 C ATOM 2081 CD ARG A 131 7.403 -9.681 5.003 1.00 65.04 C ATOM 2082 NE ARG A 131 8.011 -9.498 6.319 1.00 43.03 N ATOM 2083 CZ ARG A 131 7.898 -8.415 7.041 1.00 5.32 C ATOM 2084 NH1 ARG A 131 7.210 -7.405 6.618 1.00 31.24 N ATOM 2085 NH2 ARG A 131 8.463 -8.354 8.203 1.00 70.01 N ATOM 0 H ARG A 131 5.541 -11.473 1.102 1.00 1.25 H new ATOM 0 HA ARG A 131 7.413 -9.683 2.142 1.00 73.44 H new ATOM 0 HB2 ARG A 131 5.662 -10.990 3.396 1.00 73.41 H new ATOM 0 HB3 ARG A 131 6.577 -12.459 3.120 1.00 73.41 H new ATOM 0 HG2 ARG A 131 7.039 -11.769 5.357 1.00 31.12 H new ATOM 0 HG3 ARG A 131 8.487 -11.444 4.423 1.00 31.12 H new ATOM 0 HD2 ARG A 131 7.924 -9.064 4.271 1.00 65.04 H new ATOM 0 HD3 ARG A 131 6.368 -9.340 5.028 1.00 65.04 H new ATOM 0 HE ARG A 131 8.561 -10.268 6.700 1.00 43.03 H new ATOM 0 HH11 ARG A 131 6.747 -7.448 5.710 1.00 31.24 H new ATOM 0 HH12 ARG A 131 7.130 -6.566 7.192 1.00 31.24 H new ATOM 0 HH21 ARG A 131 8.995 -9.150 8.554 1.00 70.01 H new ATOM 0 HH22 ARG A 131 8.376 -7.510 8.769 1.00 70.01 H new ATOM 2099 N THR A 132 8.742 -12.591 1.280 1.00 42.40 N ATOM 2100 CA THR A 132 10.014 -13.327 1.159 1.00 61.43 C ATOM 2101 C THR A 132 10.433 -13.615 -0.296 1.00 65.43 C ATOM 2102 O THR A 132 11.625 -13.704 -0.587 1.00 44.22 O ATOM 2103 CB THR A 132 9.963 -14.666 1.947 1.00 11.11 C ATOM 2104 OG1 THR A 132 11.119 -15.473 1.654 1.00 3.55 O ATOM 2105 CG2 THR A 132 8.691 -15.453 1.633 1.00 11.53 C ATOM 0 H THR A 132 7.925 -13.104 0.949 1.00 42.40 H new ATOM 0 HA THR A 132 10.766 -12.665 1.587 1.00 61.43 H new ATOM 0 HB THR A 132 9.959 -14.418 3.008 1.00 11.11 H new ATOM 0 HG1 THR A 132 11.425 -15.915 2.473 1.00 3.55 H new ATOM 0 HG21 THR A 132 8.689 -16.383 2.201 1.00 11.53 H new ATOM 0 HG22 THR A 132 7.819 -14.859 1.906 1.00 11.53 H new ATOM 0 HG23 THR A 132 8.657 -15.679 0.567 1.00 11.53 H new ATOM 2113 N LYS A 133 9.470 -13.786 -1.208 1.00 50.00 N ATOM 2114 CA LYS A 133 9.795 -14.144 -2.609 1.00 72.20 C ATOM 2115 C LYS A 133 9.367 -13.063 -3.625 1.00 44.42 C ATOM 2116 O LYS A 133 9.102 -13.370 -4.789 1.00 13.42 O ATOM 2117 CB LYS A 133 9.163 -15.506 -2.979 1.00 10.43 C ATOM 2118 CG LYS A 133 10.036 -16.721 -2.637 1.00 15.41 C ATOM 2119 CD LYS A 133 10.278 -16.857 -1.136 1.00 11.34 C ATOM 2120 CE LYS A 133 11.320 -17.923 -0.807 1.00 72.11 C ATOM 2121 NZ LYS A 133 11.622 -17.967 0.651 1.00 51.11 N ATOM 0 H LYS A 133 8.473 -13.686 -1.015 1.00 50.00 H new ATOM 0 HA LYS A 133 10.881 -14.217 -2.667 1.00 72.20 H new ATOM 0 HB2 LYS A 133 8.208 -15.603 -2.462 1.00 10.43 H new ATOM 0 HB3 LYS A 133 8.950 -15.516 -4.048 1.00 10.43 H new ATOM 0 HG2 LYS A 133 9.556 -17.626 -3.009 1.00 15.41 H new ATOM 0 HG3 LYS A 133 10.993 -16.634 -3.151 1.00 15.41 H new ATOM 0 HD2 LYS A 133 10.605 -15.898 -0.735 1.00 11.34 H new ATOM 0 HD3 LYS A 133 9.339 -17.106 -0.641 1.00 11.34 H new ATOM 0 HE2 LYS A 133 10.958 -18.898 -1.133 1.00 72.11 H new ATOM 0 HE3 LYS A 133 12.236 -17.720 -1.362 1.00 72.11 H new ATOM 0 HZ1 LYS A 133 12.651 -18.024 0.791 1.00 51.11 H new ATOM 0 HZ2 LYS A 133 11.258 -17.106 1.107 1.00 51.11 H new ATOM 0 HZ3 LYS A 133 11.168 -18.801 1.074 1.00 51.11 H new ATOM 2135 N ARG A 134 9.356 -11.798 -3.203 1.00 52.43 N ATOM 2136 CA ARG A 134 8.977 -10.683 -4.090 1.00 52.32 C ATOM 2137 C ARG A 134 9.916 -10.571 -5.303 1.00 73.12 C ATOM 2138 O ARG A 134 9.468 -10.561 -6.453 1.00 40.14 O ATOM 2139 CB ARG A 134 8.992 -9.355 -3.320 1.00 75.43 C ATOM 2140 CG ARG A 134 8.703 -8.134 -4.192 1.00 2.44 C ATOM 2141 CD ARG A 134 8.719 -6.840 -3.383 1.00 53.24 C ATOM 2142 NE ARG A 134 10.009 -6.616 -2.736 1.00 44.11 N ATOM 2143 CZ ARG A 134 10.258 -5.639 -1.909 1.00 44.20 C ATOM 2144 NH1 ARG A 134 9.342 -4.774 -1.603 1.00 53.30 N ATOM 2145 NH2 ARG A 134 11.431 -5.532 -1.386 1.00 72.55 N ATOM 0 H ARG A 134 9.604 -11.514 -2.255 1.00 52.43 H new ATOM 0 HA ARG A 134 7.970 -10.891 -4.451 1.00 52.32 H new ATOM 0 HB2 ARG A 134 8.254 -9.401 -2.520 1.00 75.43 H new ATOM 0 HB3 ARG A 134 9.966 -9.230 -2.848 1.00 75.43 H new ATOM 0 HG2 ARG A 134 9.444 -8.073 -4.989 1.00 2.44 H new ATOM 0 HG3 ARG A 134 7.730 -8.251 -4.670 1.00 2.44 H new ATOM 0 HD2 ARG A 134 8.491 -6.000 -4.039 1.00 53.24 H new ATOM 0 HD3 ARG A 134 7.935 -6.876 -2.626 1.00 53.24 H new ATOM 0 HE ARG A 134 10.766 -7.267 -2.945 1.00 44.11 H new ATOM 0 HH11 ARG A 134 8.410 -4.852 -2.011 1.00 53.30 H new ATOM 0 HH12 ARG A 134 9.553 -4.016 -0.954 1.00 53.30 H new ATOM 0 HH21 ARG A 134 12.157 -6.209 -1.620 1.00 72.55 H new ATOM 0 HH22 ARG A 134 11.633 -4.770 -0.738 1.00 72.55 H new ATOM 2159 N ASP A 135 11.214 -10.474 -5.034 1.00 33.04 N ATOM 2160 CA ASP A 135 12.218 -10.323 -6.090 1.00 23.04 C ATOM 2161 C ASP A 135 12.190 -11.509 -7.070 1.00 54.11 C ATOM 2162 O ASP A 135 12.367 -11.335 -8.275 1.00 33.31 O ATOM 2163 CB ASP A 135 13.614 -10.151 -5.475 1.00 53.55 C ATOM 2164 CG ASP A 135 14.039 -11.333 -4.617 1.00 33.41 C ATOM 2165 OD1 ASP A 135 13.292 -11.704 -3.687 1.00 15.22 O ATOM 2166 OD2 ASP A 135 15.131 -11.889 -4.867 1.00 23.41 O ATOM 0 H ASP A 135 11.600 -10.497 -4.090 1.00 33.04 H new ATOM 0 HA ASP A 135 11.976 -9.426 -6.660 1.00 23.04 H new ATOM 0 HB2 ASP A 135 14.342 -10.010 -6.274 1.00 53.55 H new ATOM 0 HB3 ASP A 135 13.628 -9.246 -4.868 1.00 53.55 H new ATOM 2171 N TRP A 136 11.946 -12.708 -6.554 1.00 11.04 N ATOM 2172 CA TRP A 136 11.832 -13.899 -7.401 1.00 3.33 C ATOM 2173 C TRP A 136 10.556 -13.870 -8.255 1.00 2.31 C ATOM 2174 O TRP A 136 10.566 -14.301 -9.410 1.00 43.15 O ATOM 2175 CB TRP A 136 11.883 -15.171 -6.548 1.00 24.44 C ATOM 2176 CG TRP A 136 13.202 -15.353 -5.857 1.00 14.44 C ATOM 2177 CD1 TRP A 136 13.435 -15.380 -4.512 1.00 73.01 C ATOM 2178 CD2 TRP A 136 14.479 -15.510 -6.489 1.00 55.42 C ATOM 2179 NE1 TRP A 136 14.775 -15.563 -4.271 1.00 44.05 N ATOM 2180 CE2 TRP A 136 15.436 -15.639 -5.468 1.00 24.14 C ATOM 2181 CE3 TRP A 136 14.903 -15.559 -7.822 1.00 2.32 C ATOM 2182 CZ2 TRP A 136 16.791 -15.812 -5.737 1.00 74.24 C ATOM 2183 CZ3 TRP A 136 16.249 -15.730 -8.087 1.00 43.32 C ATOM 2184 CH2 TRP A 136 17.178 -15.855 -7.048 1.00 2.21 C ATOM 0 H TRP A 136 11.823 -12.886 -5.557 1.00 11.04 H new ATOM 0 HA TRP A 136 12.682 -13.900 -8.084 1.00 3.33 H new ATOM 0 HB2 TRP A 136 11.089 -15.135 -5.802 1.00 24.44 H new ATOM 0 HB3 TRP A 136 11.687 -16.036 -7.181 1.00 24.44 H new ATOM 0 HD1 TRP A 136 12.677 -15.273 -3.750 1.00 73.01 H new ATOM 0 HE1 TRP A 136 15.208 -15.631 -3.350 1.00 44.05 H new ATOM 0 HE3 TRP A 136 14.191 -15.465 -8.629 1.00 2.32 H new ATOM 0 HZ2 TRP A 136 17.511 -15.909 -4.938 1.00 74.24 H new ATOM 0 HZ3 TRP A 136 16.589 -15.768 -9.111 1.00 43.32 H new ATOM 0 HH2 TRP A 136 18.223 -15.988 -7.286 1.00 2.21 H new ATOM 2195 N LEU A 137 9.463 -13.355 -7.694 1.00 4.12 N ATOM 2196 CA LEU A 137 8.209 -13.200 -8.443 1.00 23.11 C ATOM 2197 C LEU A 137 8.401 -12.335 -9.704 1.00 4.04 C ATOM 2198 O LEU A 137 7.907 -12.675 -10.777 1.00 14.12 O ATOM 2199 CB LEU A 137 7.118 -12.586 -7.550 1.00 61.33 C ATOM 2200 CG LEU A 137 6.437 -13.547 -6.559 1.00 70.12 C ATOM 2201 CD1 LEU A 137 5.578 -12.765 -5.568 1.00 45.21 C ATOM 2202 CD2 LEU A 137 5.590 -14.576 -7.308 1.00 43.13 C ATOM 0 H LEU A 137 9.417 -13.038 -6.726 1.00 4.12 H new ATOM 0 HA LEU A 137 7.896 -14.195 -8.760 1.00 23.11 H new ATOM 0 HB2 LEU A 137 7.559 -11.765 -6.985 1.00 61.33 H new ATOM 0 HB3 LEU A 137 6.351 -12.155 -8.193 1.00 61.33 H new ATOM 0 HG LEU A 137 7.210 -14.078 -6.003 1.00 70.12 H new ATOM 0 HD11 LEU A 137 5.102 -13.457 -4.873 1.00 45.21 H new ATOM 0 HD12 LEU A 137 6.206 -12.068 -5.013 1.00 45.21 H new ATOM 0 HD13 LEU A 137 4.811 -12.211 -6.109 1.00 45.21 H new ATOM 0 HD21 LEU A 137 5.116 -15.247 -6.592 1.00 43.13 H new ATOM 0 HD22 LEU A 137 4.823 -14.063 -7.888 1.00 43.13 H new ATOM 0 HD23 LEU A 137 6.227 -15.152 -7.979 1.00 43.13 H new ATOM 2214 N VAL A 138 9.107 -11.214 -9.578 1.00 14.14 N ATOM 2215 CA VAL A 138 9.357 -10.338 -10.735 1.00 54.00 C ATOM 2216 C VAL A 138 10.481 -10.878 -11.650 1.00 31.20 C ATOM 2217 O VAL A 138 10.350 -10.881 -12.875 1.00 63.34 O ATOM 2218 CB VAL A 138 9.681 -8.884 -10.292 1.00 32.21 C ATOM 2219 CG1 VAL A 138 10.943 -8.828 -9.434 1.00 51.00 C ATOM 2220 CG2 VAL A 138 9.799 -7.960 -11.505 1.00 50.42 C ATOM 0 H VAL A 138 9.514 -10.888 -8.701 1.00 14.14 H new ATOM 0 HA VAL A 138 8.433 -10.328 -11.313 1.00 54.00 H new ATOM 0 HB VAL A 138 8.853 -8.533 -9.677 1.00 32.21 H new ATOM 0 HG11 VAL A 138 11.139 -7.796 -9.142 1.00 51.00 H new ATOM 0 HG12 VAL A 138 10.803 -9.437 -8.541 1.00 51.00 H new ATOM 0 HG13 VAL A 138 11.789 -9.211 -10.005 1.00 51.00 H new ATOM 0 HG21 VAL A 138 10.026 -6.948 -11.171 1.00 50.42 H new ATOM 0 HG22 VAL A 138 10.598 -8.315 -12.156 1.00 50.42 H new ATOM 0 HG23 VAL A 138 8.857 -7.958 -12.054 1.00 50.42 H new ATOM 2230 N LYS A 139 11.573 -11.357 -11.050 1.00 53.40 N ATOM 2231 CA LYS A 139 12.739 -11.834 -11.812 1.00 43.34 C ATOM 2232 C LYS A 139 12.453 -13.127 -12.593 1.00 52.22 C ATOM 2233 O LYS A 139 12.966 -13.322 -13.694 1.00 71.43 O ATOM 2234 CB LYS A 139 13.933 -12.047 -10.869 1.00 3.25 C ATOM 2235 CG LYS A 139 14.584 -10.746 -10.405 1.00 65.12 C ATOM 2236 CD LYS A 139 15.205 -9.990 -11.576 1.00 23.30 C ATOM 2237 CE LYS A 139 15.838 -8.674 -11.145 1.00 55.11 C ATOM 2238 NZ LYS A 139 14.831 -7.709 -10.628 1.00 74.12 N ATOM 0 H LYS A 139 11.678 -11.427 -10.038 1.00 53.40 H new ATOM 0 HA LYS A 139 12.975 -11.063 -12.545 1.00 43.34 H new ATOM 0 HB2 LYS A 139 13.600 -12.609 -9.996 1.00 3.25 H new ATOM 0 HB3 LYS A 139 14.681 -12.658 -11.375 1.00 3.25 H new ATOM 0 HG2 LYS A 139 13.839 -10.117 -9.917 1.00 65.12 H new ATOM 0 HG3 LYS A 139 15.351 -10.965 -9.663 1.00 65.12 H new ATOM 0 HD2 LYS A 139 15.961 -10.616 -12.050 1.00 23.30 H new ATOM 0 HD3 LYS A 139 14.439 -9.793 -12.326 1.00 23.30 H new ATOM 0 HE2 LYS A 139 16.583 -8.867 -10.374 1.00 55.11 H new ATOM 0 HE3 LYS A 139 16.363 -8.231 -11.991 1.00 55.11 H new ATOM 0 HZ1 LYS A 139 15.279 -6.780 -10.490 1.00 74.12 H new ATOM 0 HZ2 LYS A 139 14.052 -7.620 -11.312 1.00 74.12 H new ATOM 0 HZ3 LYS A 139 14.457 -8.051 -9.720 1.00 74.12 H new ATOM 2252 N GLN A 140 11.660 -14.021 -12.014 1.00 52.51 N ATOM 2253 CA GLN A 140 11.318 -15.291 -12.675 1.00 10.33 C ATOM 2254 C GLN A 140 9.917 -15.241 -13.301 1.00 34.02 C ATOM 2255 O GLN A 140 9.447 -16.233 -13.862 1.00 55.41 O ATOM 2256 CB GLN A 140 11.399 -16.452 -11.667 1.00 23.11 C ATOM 2257 CG GLN A 140 12.726 -16.535 -10.915 1.00 74.51 C ATOM 2258 CD GLN A 140 13.919 -16.784 -11.823 1.00 23.22 C ATOM 2259 OE1 GLN A 140 14.288 -17.924 -12.092 1.00 24.21 O ATOM 2260 NE2 GLN A 140 14.535 -15.722 -12.301 1.00 71.22 N ATOM 0 H GLN A 140 11.240 -13.898 -11.093 1.00 52.51 H new ATOM 0 HA GLN A 140 12.040 -15.453 -13.475 1.00 10.33 H new ATOM 0 HB2 GLN A 140 10.590 -16.348 -10.944 1.00 23.11 H new ATOM 0 HB3 GLN A 140 11.235 -17.391 -12.196 1.00 23.11 H new ATOM 0 HG2 GLN A 140 12.883 -15.606 -10.367 1.00 74.51 H new ATOM 0 HG3 GLN A 140 12.667 -17.335 -10.177 1.00 74.51 H new ATOM 0 HE21 GLN A 140 14.204 -14.788 -12.059 1.00 71.22 H new ATOM 0 HE22 GLN A 140 15.343 -15.834 -12.913 1.00 71.22 H new ATOM 2269 N ARG A 141 9.270 -14.075 -13.216 1.00 74.41 N ATOM 2270 CA ARG A 141 7.879 -13.910 -13.661 1.00 72.43 C ATOM 2271 C ARG A 141 6.988 -15.016 -13.071 1.00 43.14 C ATOM 2272 O ARG A 141 6.425 -15.828 -13.796 1.00 12.02 O ATOM 2273 CB ARG A 141 7.788 -13.892 -15.198 1.00 74.55 C ATOM 2274 CG ARG A 141 8.727 -12.882 -15.858 1.00 4.40 C ATOM 2275 CD ARG A 141 8.333 -12.594 -17.307 1.00 24.22 C ATOM 2276 NE ARG A 141 8.367 -13.794 -18.145 1.00 63.04 N ATOM 2277 CZ ARG A 141 7.446 -14.111 -19.017 1.00 43.21 C ATOM 2278 NH1 ARG A 141 6.405 -13.359 -19.189 1.00 30.00 N ATOM 2279 NH2 ARG A 141 7.570 -15.184 -19.723 1.00 1.02 N ATOM 0 H ARG A 141 9.689 -13.224 -12.841 1.00 74.41 H new ATOM 0 HA ARG A 141 7.518 -12.949 -13.295 1.00 72.43 H new ATOM 0 HB2 ARG A 141 8.015 -14.888 -15.578 1.00 74.55 H new ATOM 0 HB3 ARG A 141 6.762 -13.666 -15.490 1.00 74.55 H new ATOM 0 HG2 ARG A 141 8.718 -11.953 -15.288 1.00 4.40 H new ATOM 0 HG3 ARG A 141 9.748 -13.263 -15.829 1.00 4.40 H new ATOM 0 HD2 ARG A 141 7.330 -12.167 -17.330 1.00 24.22 H new ATOM 0 HD3 ARG A 141 9.008 -11.845 -17.722 1.00 24.22 H new ATOM 0 HE ARG A 141 9.162 -14.425 -18.042 1.00 63.04 H new ATOM 0 HH11 ARG A 141 6.296 -12.506 -18.640 1.00 30.00 H new ATOM 0 HH12 ARG A 141 5.695 -13.620 -19.873 1.00 30.00 H new ATOM 0 HH21 ARG A 141 8.386 -15.784 -19.600 1.00 1.02 H new ATOM 0 HH22 ARG A 141 6.852 -15.432 -20.404 1.00 1.02 H new ATOM 2293 N GLY A 142 6.871 -15.015 -11.742 1.00 75.20 N ATOM 2294 CA GLY A 142 6.223 -16.099 -11.008 1.00 64.15 C ATOM 2295 C GLY A 142 4.925 -16.614 -11.625 1.00 2.23 C ATOM 2296 O GLY A 142 4.737 -17.818 -11.755 1.00 24.20 O ATOM 0 H GLY A 142 7.222 -14.264 -11.147 1.00 75.20 H new ATOM 0 HA2 GLY A 142 6.923 -16.931 -10.926 1.00 64.15 H new ATOM 0 HA3 GLY A 142 6.014 -15.757 -9.994 1.00 64.15 H new ATOM 2300 N TRP A 143 4.034 -15.711 -12.011 1.00 43.53 N ATOM 2301 CA TRP A 143 2.720 -16.105 -12.533 1.00 55.23 C ATOM 2302 C TRP A 143 2.792 -16.652 -13.973 1.00 34.05 C ATOM 2303 O TRP A 143 1.889 -17.360 -14.416 1.00 44.55 O ATOM 2304 CB TRP A 143 1.744 -14.929 -12.421 1.00 22.32 C ATOM 2305 CG TRP A 143 1.600 -14.445 -11.003 1.00 62.11 C ATOM 2306 CD1 TRP A 143 1.798 -13.176 -10.538 1.00 2.34 C ATOM 2307 CD2 TRP A 143 1.259 -15.241 -9.857 1.00 10.01 C ATOM 2308 NE1 TRP A 143 1.587 -13.133 -9.181 1.00 4.11 N ATOM 2309 CE2 TRP A 143 1.257 -14.386 -8.741 1.00 5.03 C ATOM 2310 CE3 TRP A 143 0.948 -16.592 -9.667 1.00 43.23 C ATOM 2311 CZ2 TRP A 143 0.964 -14.834 -7.456 1.00 12.33 C ATOM 2312 CZ3 TRP A 143 0.658 -17.036 -8.389 1.00 41.12 C ATOM 2313 CH2 TRP A 143 0.667 -16.157 -7.299 1.00 53.11 C ATOM 0 H TRP A 143 4.190 -14.704 -11.975 1.00 43.53 H new ATOM 0 HA TRP A 143 2.351 -16.929 -11.922 1.00 55.23 H new ATOM 0 HB2 TRP A 143 2.091 -14.109 -13.050 1.00 22.32 H new ATOM 0 HB3 TRP A 143 0.768 -15.231 -12.801 1.00 22.32 H new ATOM 0 HD1 TRP A 143 2.079 -12.330 -11.148 1.00 2.34 H new ATOM 0 HE1 TRP A 143 1.664 -12.301 -8.596 1.00 4.11 H new ATOM 0 HE3 TRP A 143 0.935 -17.276 -10.503 1.00 43.23 H new ATOM 0 HZ2 TRP A 143 0.971 -14.159 -6.613 1.00 12.33 H new ATOM 0 HZ3 TRP A 143 0.421 -18.078 -8.230 1.00 41.12 H new ATOM 0 HH2 TRP A 143 0.434 -16.534 -6.314 1.00 53.11 H new ATOM 2324 N ASP A 144 3.863 -16.325 -14.698 1.00 71.11 N ATOM 2325 CA ASP A 144 4.137 -16.951 -16.001 1.00 41.43 C ATOM 2326 C ASP A 144 4.879 -18.288 -15.811 1.00 21.15 C ATOM 2327 O ASP A 144 4.470 -19.324 -16.342 1.00 71.11 O ATOM 2328 CB ASP A 144 4.966 -16.015 -16.893 1.00 75.43 C ATOM 2329 CG ASP A 144 4.173 -14.815 -17.380 1.00 44.30 C ATOM 2330 OD1 ASP A 144 3.460 -14.940 -18.403 1.00 24.31 O ATOM 2331 OD2 ASP A 144 4.267 -13.739 -16.757 1.00 74.42 O ATOM 0 H ASP A 144 4.555 -15.633 -14.410 1.00 71.11 H new ATOM 0 HA ASP A 144 3.182 -17.142 -16.491 1.00 41.43 H new ATOM 0 HB2 ASP A 144 5.838 -15.668 -16.338 1.00 75.43 H new ATOM 0 HB3 ASP A 144 5.337 -16.573 -17.753 1.00 75.43 H new ATOM 2336 N GLY A 145 5.969 -18.246 -15.040 1.00 71.43 N ATOM 2337 CA GLY A 145 6.744 -19.447 -14.736 1.00 35.44 C ATOM 2338 C GLY A 145 5.916 -20.536 -14.060 1.00 50.44 C ATOM 2339 O GLY A 145 6.158 -21.728 -14.253 1.00 52.24 O ATOM 0 H GLY A 145 6.333 -17.393 -14.616 1.00 71.43 H new ATOM 0 HA2 GLY A 145 7.169 -19.842 -15.659 1.00 35.44 H new ATOM 0 HA3 GLY A 145 7.580 -19.179 -14.089 1.00 35.44 H new ATOM 2343 N PHE A 146 4.937 -20.117 -13.266 1.00 4.41 N ATOM 2344 CA PHE A 146 4.002 -21.039 -12.614 1.00 42.31 C ATOM 2345 C PHE A 146 3.257 -21.894 -13.653 1.00 63.12 C ATOM 2346 O PHE A 146 3.044 -23.092 -13.458 1.00 73.33 O ATOM 2347 CB PHE A 146 3.001 -20.229 -11.774 1.00 34.51 C ATOM 2348 CG PHE A 146 2.006 -21.060 -11.007 1.00 0.02 C ATOM 2349 CD1 PHE A 146 2.400 -21.769 -9.884 1.00 43.22 C ATOM 2350 CD2 PHE A 146 0.676 -21.120 -11.403 1.00 53.13 C ATOM 2351 CE1 PHE A 146 1.490 -22.522 -9.172 1.00 3.14 C ATOM 2352 CE2 PHE A 146 -0.237 -21.874 -10.694 1.00 1.23 C ATOM 2353 CZ PHE A 146 0.170 -22.577 -9.578 1.00 14.21 C ATOM 0 H PHE A 146 4.766 -19.134 -13.054 1.00 4.41 H new ATOM 0 HA PHE A 146 4.562 -21.714 -11.968 1.00 42.31 H new ATOM 0 HB2 PHE A 146 3.556 -19.609 -11.070 1.00 34.51 H new ATOM 0 HB3 PHE A 146 2.457 -19.553 -12.434 1.00 34.51 H new ATOM 0 HD1 PHE A 146 3.430 -21.732 -9.563 1.00 43.22 H new ATOM 0 HD2 PHE A 146 0.353 -20.571 -12.275 1.00 53.13 H new ATOM 0 HE1 PHE A 146 1.809 -23.069 -8.297 1.00 3.14 H new ATOM 0 HE2 PHE A 146 -1.268 -21.914 -11.012 1.00 1.23 H new ATOM 0 HZ PHE A 146 -0.542 -23.169 -9.023 1.00 14.21 H new ATOM 2363 N VAL A 147 2.877 -21.267 -14.764 1.00 34.33 N ATOM 2364 CA VAL A 147 2.136 -21.948 -15.828 1.00 55.33 C ATOM 2365 C VAL A 147 3.036 -22.913 -16.624 1.00 52.22 C ATOM 2366 O VAL A 147 2.620 -24.024 -16.969 1.00 1.22 O ATOM 2367 CB VAL A 147 1.478 -20.922 -16.792 1.00 60.01 C ATOM 2368 CG1 VAL A 147 0.682 -21.634 -17.885 1.00 51.11 C ATOM 2369 CG2 VAL A 147 0.584 -19.954 -16.013 1.00 53.04 C ATOM 0 H VAL A 147 3.070 -20.283 -14.953 1.00 34.33 H new ATOM 0 HA VAL A 147 1.353 -22.534 -15.346 1.00 55.33 H new ATOM 0 HB VAL A 147 2.270 -20.348 -17.273 1.00 60.01 H new ATOM 0 HG11 VAL A 147 0.231 -20.895 -18.547 1.00 51.11 H new ATOM 0 HG12 VAL A 147 1.348 -22.277 -18.460 1.00 51.11 H new ATOM 0 HG13 VAL A 147 -0.102 -22.239 -17.429 1.00 51.11 H new ATOM 0 HG21 VAL A 147 0.131 -19.242 -16.703 1.00 53.04 H new ATOM 0 HG22 VAL A 147 -0.200 -20.513 -15.502 1.00 53.04 H new ATOM 0 HG23 VAL A 147 1.183 -19.416 -15.278 1.00 53.04 H new ATOM 2379 N GLU A 148 4.273 -22.494 -16.904 1.00 63.14 N ATOM 2380 CA GLU A 148 5.207 -23.327 -17.678 1.00 24.03 C ATOM 2381 C GLU A 148 5.742 -24.512 -16.850 1.00 33.12 C ATOM 2382 O GLU A 148 5.979 -25.591 -17.388 1.00 71.24 O ATOM 2383 CB GLU A 148 6.382 -22.490 -18.222 1.00 70.11 C ATOM 2384 CG GLU A 148 7.388 -22.041 -17.165 1.00 31.02 C ATOM 2385 CD GLU A 148 8.579 -21.293 -17.754 1.00 54.15 C ATOM 2386 OE1 GLU A 148 9.376 -21.917 -18.486 1.00 24.23 O ATOM 2387 OE2 GLU A 148 8.733 -20.079 -17.489 1.00 14.41 O ATOM 0 H GLU A 148 4.651 -21.593 -16.611 1.00 63.14 H new ATOM 0 HA GLU A 148 4.645 -23.730 -18.520 1.00 24.03 H new ATOM 0 HB2 GLU A 148 6.906 -23.074 -18.979 1.00 70.11 H new ATOM 0 HB3 GLU A 148 5.981 -21.608 -18.721 1.00 70.11 H new ATOM 0 HG2 GLU A 148 6.885 -21.399 -16.442 1.00 31.02 H new ATOM 0 HG3 GLU A 148 7.748 -22.914 -16.620 1.00 31.02 H new ATOM 2394 N PHE A 149 5.923 -24.314 -15.541 1.00 20.52 N ATOM 2395 CA PHE A 149 6.450 -25.375 -14.667 1.00 43.31 C ATOM 2396 C PHE A 149 5.536 -26.611 -14.663 1.00 50.51 C ATOM 2397 O PHE A 149 6.005 -27.748 -14.758 1.00 34.21 O ATOM 2398 CB PHE A 149 6.633 -24.856 -13.233 1.00 34.31 C ATOM 2399 CG PHE A 149 7.323 -25.845 -12.322 1.00 54.02 C ATOM 2400 CD1 PHE A 149 8.710 -25.894 -12.253 1.00 34.23 C ATOM 2401 CD2 PHE A 149 6.589 -26.731 -11.543 1.00 43.12 C ATOM 2402 CE1 PHE A 149 9.346 -26.803 -11.428 1.00 62.33 C ATOM 2403 CE2 PHE A 149 7.221 -27.640 -10.717 1.00 51.00 C ATOM 2404 CZ PHE A 149 8.600 -27.677 -10.660 1.00 33.14 C ATOM 0 H PHE A 149 5.715 -23.437 -15.063 1.00 20.52 H new ATOM 0 HA PHE A 149 7.420 -25.671 -15.066 1.00 43.31 H new ATOM 0 HB2 PHE A 149 7.211 -23.932 -13.259 1.00 34.31 H new ATOM 0 HB3 PHE A 149 5.657 -24.609 -12.816 1.00 34.31 H new ATOM 0 HD1 PHE A 149 9.298 -25.214 -12.851 1.00 34.23 H new ATOM 0 HD2 PHE A 149 5.510 -26.709 -11.584 1.00 43.12 H new ATOM 0 HE1 PHE A 149 10.425 -26.830 -11.384 1.00 62.33 H new ATOM 0 HE2 PHE A 149 6.637 -28.321 -10.116 1.00 51.00 H new ATOM 0 HZ PHE A 149 9.095 -28.388 -10.016 1.00 33.14 H new ATOM 2414 N PHE A 150 4.233 -26.387 -14.535 1.00 12.31 N ATOM 2415 CA PHE A 150 3.251 -27.478 -14.589 1.00 24.31 C ATOM 2416 C PHE A 150 2.910 -27.852 -16.042 1.00 44.41 C ATOM 2417 O PHE A 150 2.255 -28.863 -16.296 1.00 23.40 O ATOM 2418 CB PHE A 150 1.977 -27.087 -13.826 1.00 33.32 C ATOM 2419 CG PHE A 150 2.191 -26.922 -12.339 1.00 15.51 C ATOM 2420 CD1 PHE A 150 2.583 -25.701 -11.806 1.00 20.23 C ATOM 2421 CD2 PHE A 150 2.008 -27.994 -11.476 1.00 44.30 C ATOM 2422 CE1 PHE A 150 2.786 -25.554 -10.447 1.00 60.41 C ATOM 2423 CE2 PHE A 150 2.211 -27.850 -10.117 1.00 15.34 C ATOM 2424 CZ PHE A 150 2.600 -26.630 -9.602 1.00 73.34 C ATOM 0 H PHE A 150 3.827 -25.462 -14.393 1.00 12.31 H new ATOM 0 HA PHE A 150 3.695 -28.352 -14.113 1.00 24.31 H new ATOM 0 HB2 PHE A 150 1.590 -26.154 -14.235 1.00 33.32 H new ATOM 0 HB3 PHE A 150 1.215 -27.848 -13.993 1.00 33.32 H new ATOM 0 HD1 PHE A 150 2.731 -24.856 -12.462 1.00 20.23 H new ATOM 0 HD2 PHE A 150 1.703 -28.952 -11.872 1.00 44.30 H new ATOM 0 HE1 PHE A 150 3.090 -24.598 -10.046 1.00 60.41 H new ATOM 0 HE2 PHE A 150 2.065 -28.693 -9.457 1.00 15.34 H new ATOM 0 HZ PHE A 150 2.759 -26.517 -8.540 1.00 73.34 H new ATOM 2434 N HIS A 151 3.374 -27.023 -16.981 1.00 73.45 N ATOM 2435 CA HIS A 151 3.153 -27.227 -18.420 1.00 25.43 C ATOM 2436 C HIS A 151 1.667 -27.370 -18.751 1.00 70.22 C ATOM 2437 O HIS A 151 1.119 -28.473 -18.806 1.00 32.05 O ATOM 2438 CB HIS A 151 3.950 -28.427 -18.937 1.00 44.32 C ATOM 2439 CG HIS A 151 5.406 -28.319 -18.625 1.00 34.22 C ATOM 2440 ND1 HIS A 151 6.305 -27.648 -19.422 1.00 23.43 N ATOM 2441 CD2 HIS A 151 6.112 -28.780 -17.573 1.00 63.41 C ATOM 2442 CE1 HIS A 151 7.501 -27.705 -18.877 1.00 42.21 C ATOM 2443 NE2 HIS A 151 7.414 -28.387 -17.752 1.00 64.44 N ATOM 0 H HIS A 151 3.917 -26.186 -16.766 1.00 73.45 H new ATOM 0 HA HIS A 151 3.516 -26.336 -18.932 1.00 25.43 H new ATOM 0 HB2 HIS A 151 3.553 -29.341 -18.495 1.00 44.32 H new ATOM 0 HB3 HIS A 151 3.817 -28.511 -20.016 1.00 44.32 H new ATOM 0 HD2 HIS A 151 5.724 -29.352 -16.743 1.00 63.41 H new ATOM 0 HE1 HIS A 151 8.401 -27.267 -19.282 1.00 42.21 H new ATOM 0 HE2 HIS A 151 8.188 -28.589 -17.119 1.00 64.44 H new ATOM 2452 N VAL A 152 1.024 -26.233 -18.962 1.00 43.01 N ATOM 2453 CA VAL A 152 -0.419 -26.176 -19.174 1.00 73.15 C ATOM 2454 C VAL A 152 -0.778 -26.191 -20.669 1.00 74.22 C ATOM 2455 O VAL A 152 -1.460 -27.098 -21.147 1.00 21.54 O ATOM 2456 CB VAL A 152 -0.997 -24.908 -18.502 1.00 13.34 C ATOM 2457 CG1 VAL A 152 -2.477 -24.730 -18.821 1.00 2.43 C ATOM 2458 CG2 VAL A 152 -0.759 -24.959 -16.992 1.00 51.31 C ATOM 0 H VAL A 152 1.484 -25.323 -18.992 1.00 43.01 H new ATOM 0 HA VAL A 152 -0.859 -27.065 -18.721 1.00 73.15 H new ATOM 0 HB VAL A 152 -0.476 -24.040 -18.907 1.00 13.34 H new ATOM 0 HG11 VAL A 152 -2.849 -23.829 -18.332 1.00 2.43 H new ATOM 0 HG12 VAL A 152 -2.608 -24.638 -19.899 1.00 2.43 H new ATOM 0 HG13 VAL A 152 -3.034 -25.595 -18.460 1.00 2.43 H new ATOM 0 HG21 VAL A 152 -1.170 -24.062 -16.528 1.00 51.31 H new ATOM 0 HG22 VAL A 152 -1.249 -25.839 -16.576 1.00 51.31 H new ATOM 0 HG23 VAL A 152 0.312 -25.012 -16.794 1.00 51.31 H new