USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 714 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 49 HIS : no HD1:sc= -1.34! C(o=-1!,f=-16!) USER MOD Set 1.2: A 65 ASN : amide:sc= -1.07! C(o=-1!,f=-11!) USER MOD Set 1.3: A 70 THR OG1 : rot 83:sc= 1.4 USER MOD Set 2.1: A 10 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 100 HIS : no HD1:sc= -0.0849 X(o=-0.085,f=0.065) USER MOD Set 3.1: A 8 SER OG : rot 180:sc= 0.154 USER MOD Set 3.2: A 22 GLN : amide:sc= -0.11 X(o=0.044,f=-0.038) USER MOD Single : A 7 THR OG1 : rot 23:sc= 0.317 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 97:sc= 1.23 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN :FLIP amide:sc= -0.547 F(o=-1.7!,f=-0.55) USER MOD Single : A 34 GLN : amide:sc= -0.411! C(o=-0.41!,f=-4.2!) USER MOD Single : A 37 GLN :FLIP amide:sc= -0.996 F(o=-1.6!,f=-1) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0.00221 USER MOD Single : A 57 GLN : amide:sc= -0.0708 X(o=-0.071,f=-0.52) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 THR OG1 : rot 171:sc= -3.24! USER MOD Single : A 73 ASN : amide:sc= 1.46 K(o=1.5,f=-9!) USER MOD Single : A 74 ASN : amide:sc= -0.131 X(o=-0.13,f=-0.13) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 81 GLN : amide:sc= 0.643 K(o=0.64,f=-0.074) USER MOD Single : A 92 HIS : no HE2:sc= 1.17 K(o=1.2,f=-3.7!) USER MOD Single : A 93 SER OG : rot 130:sc= -0.0333 USER MOD Single : A 99 MET CE :methyl 162:sc= -0.0771 (180deg=-0.454) USER MOD ----------------------------------------------------------------- ATOM 62 N THR A 7 -4.411 -8.416 1.304 1.00 62.51 N ATOM 63 CA THR A 7 -4.144 -7.324 2.202 1.00 64.44 C ATOM 64 C THR A 7 -4.176 -6.005 1.430 1.00 13.21 C ATOM 65 O THR A 7 -3.402 -5.790 0.504 1.00 40.35 O ATOM 66 CB THR A 7 -2.761 -7.517 2.832 1.00 65.03 C ATOM 67 OG1 THR A 7 -2.661 -8.869 3.323 1.00 44.03 O ATOM 68 CG2 THR A 7 -2.542 -6.544 3.986 1.00 73.21 C ATOM 0 HA THR A 7 -4.903 -7.300 2.984 1.00 64.44 H new ATOM 0 HB THR A 7 -2.000 -7.325 2.075 1.00 65.03 H new ATOM 0 HG1 THR A 7 -3.300 -9.439 2.845 1.00 44.03 H new ATOM 0 HG21 THR A 7 -1.552 -6.704 4.414 1.00 73.21 H new ATOM 0 HG22 THR A 7 -2.617 -5.521 3.618 1.00 73.21 H new ATOM 0 HG23 THR A 7 -3.300 -6.711 4.752 1.00 73.21 H new ATOM 76 N SER A 8 -5.094 -5.176 1.779 1.00 43.22 N ATOM 77 CA SER A 8 -5.259 -3.938 1.133 1.00 50.11 C ATOM 78 C SER A 8 -4.799 -2.833 2.036 1.00 34.51 C ATOM 79 O SER A 8 -5.318 -2.652 3.136 1.00 31.11 O ATOM 80 CB SER A 8 -6.711 -3.761 0.748 1.00 24.03 C ATOM 81 OG SER A 8 -7.125 -4.843 -0.078 1.00 71.14 O ATOM 0 H SER A 8 -5.758 -5.348 2.534 1.00 43.22 H new ATOM 0 HA SER A 8 -4.656 -3.908 0.225 1.00 50.11 H new ATOM 0 HB2 SER A 8 -7.331 -3.716 1.643 1.00 24.03 H new ATOM 0 HB3 SER A 8 -6.845 -2.817 0.220 1.00 24.03 H new ATOM 0 HG SER A 8 -8.066 -4.725 -0.324 1.00 71.14 H new ATOM 87 N VAL A 9 -3.806 -2.145 1.610 1.00 44.25 N ATOM 88 CA VAL A 9 -3.318 -1.034 2.354 1.00 63.54 C ATOM 89 C VAL A 9 -4.057 0.187 1.849 1.00 23.23 C ATOM 90 O VAL A 9 -3.944 0.556 0.683 1.00 24.12 O ATOM 91 CB VAL A 9 -1.791 -0.868 2.196 1.00 25.11 C ATOM 92 CG1 VAL A 9 -1.276 0.248 3.087 1.00 54.43 C ATOM 93 CG2 VAL A 9 -1.072 -2.172 2.515 1.00 73.44 C ATOM 0 H VAL A 9 -3.307 -2.331 0.740 1.00 44.25 H new ATOM 0 HA VAL A 9 -3.494 -1.182 3.419 1.00 63.54 H new ATOM 0 HB VAL A 9 -1.586 -0.604 1.158 1.00 25.11 H new ATOM 0 HG11 VAL A 9 -0.198 0.347 2.960 1.00 54.43 H new ATOM 0 HG12 VAL A 9 -1.761 1.185 2.814 1.00 54.43 H new ATOM 0 HG13 VAL A 9 -1.498 0.014 4.128 1.00 54.43 H new ATOM 0 HG21 VAL A 9 0.003 -2.033 2.397 1.00 73.44 H new ATOM 0 HG22 VAL A 9 -1.290 -2.466 3.542 1.00 73.44 H new ATOM 0 HG23 VAL A 9 -1.414 -2.952 1.834 1.00 73.44 H new ATOM 103 N THR A 10 -4.830 0.761 2.695 1.00 62.42 N ATOM 104 CA THR A 10 -5.670 1.843 2.331 1.00 31.31 C ATOM 105 C THR A 10 -5.157 3.108 2.985 1.00 72.12 C ATOM 106 O THR A 10 -4.966 3.153 4.202 1.00 24.54 O ATOM 107 CB THR A 10 -7.120 1.560 2.791 1.00 51.34 C ATOM 108 OG1 THR A 10 -7.518 0.253 2.328 1.00 22.01 O ATOM 109 CG2 THR A 10 -8.086 2.596 2.225 1.00 43.41 C ATOM 0 H THR A 10 -4.899 0.489 3.676 1.00 62.42 H new ATOM 0 HA THR A 10 -5.664 1.964 1.248 1.00 31.31 H new ATOM 0 HB THR A 10 -7.151 1.608 3.879 1.00 51.34 H new ATOM 0 HG1 THR A 10 -8.436 0.068 2.619 1.00 22.01 H new ATOM 0 HG21 THR A 10 -9.098 2.373 2.564 1.00 43.41 H new ATOM 0 HG22 THR A 10 -7.798 3.589 2.570 1.00 43.41 H new ATOM 0 HG23 THR A 10 -8.054 2.567 1.136 1.00 43.41 H new ATOM 117 N LEU A 11 -4.891 4.100 2.196 1.00 35.14 N ATOM 118 CA LEU A 11 -4.445 5.343 2.720 1.00 10.25 C ATOM 119 C LEU A 11 -5.628 6.276 2.881 1.00 62.33 C ATOM 120 O LEU A 11 -6.465 6.399 1.981 1.00 3.42 O ATOM 121 CB LEU A 11 -3.270 5.931 1.881 1.00 44.44 C ATOM 122 CG LEU A 11 -3.486 6.204 0.369 1.00 42.41 C ATOM 123 CD1 LEU A 11 -4.221 7.517 0.102 1.00 74.25 C ATOM 124 CD2 LEU A 11 -2.165 6.180 -0.371 1.00 34.01 C ATOM 0 H LEU A 11 -4.977 4.069 1.180 1.00 35.14 H new ATOM 0 HA LEU A 11 -4.022 5.197 3.714 1.00 10.25 H new ATOM 0 HB2 LEU A 11 -2.973 6.871 2.346 1.00 44.44 H new ATOM 0 HB3 LEU A 11 -2.426 5.248 1.974 1.00 44.44 H new ATOM 0 HG LEU A 11 -4.123 5.403 -0.005 1.00 42.41 H new ATOM 0 HD11 LEU A 11 -4.343 7.654 -0.972 1.00 74.25 H new ATOM 0 HD12 LEU A 11 -5.201 7.488 0.578 1.00 74.25 H new ATOM 0 HD13 LEU A 11 -3.644 8.347 0.510 1.00 74.25 H new ATOM 0 HD21 LEU A 11 -2.337 6.373 -1.430 1.00 34.01 H new ATOM 0 HD22 LEU A 11 -1.506 6.947 0.036 1.00 34.01 H new ATOM 0 HD23 LEU A 11 -1.699 5.202 -0.252 1.00 34.01 H new ATOM 136 N GLN A 12 -5.749 6.833 4.044 1.00 63.23 N ATOM 137 CA GLN A 12 -6.815 7.742 4.352 1.00 1.53 C ATOM 138 C GLN A 12 -6.256 9.147 4.382 1.00 50.21 C ATOM 139 O GLN A 12 -5.366 9.458 5.183 1.00 72.12 O ATOM 140 CB GLN A 12 -7.425 7.420 5.702 1.00 73.44 C ATOM 141 CG GLN A 12 -8.760 8.107 5.935 1.00 21.40 C ATOM 142 CD GLN A 12 -9.219 7.996 7.358 1.00 75.52 C ATOM 143 OE1 GLN A 12 -9.891 7.043 7.747 1.00 53.30 O ATOM 144 NE2 GLN A 12 -8.881 8.982 8.138 1.00 20.43 N ATOM 0 H GLN A 12 -5.105 6.670 4.818 1.00 63.23 H new ATOM 0 HA GLN A 12 -7.591 7.651 3.592 1.00 1.53 H new ATOM 0 HB2 GLN A 12 -7.559 6.341 5.785 1.00 73.44 H new ATOM 0 HB3 GLN A 12 -6.730 7.716 6.488 1.00 73.44 H new ATOM 0 HG2 GLN A 12 -8.676 9.159 5.664 1.00 21.40 H new ATOM 0 HG3 GLN A 12 -9.511 7.668 5.278 1.00 21.40 H new ATOM 0 HE21 GLN A 12 -8.322 9.753 7.772 1.00 20.43 H new ATOM 0 HE22 GLN A 12 -9.175 8.984 9.115 1.00 20.43 H new ATOM 153 N LEU A 13 -6.769 9.967 3.536 1.00 71.25 N ATOM 154 CA LEU A 13 -6.322 11.309 3.363 1.00 55.55 C ATOM 155 C LEU A 13 -7.277 12.228 4.043 1.00 1.22 C ATOM 156 O LEU A 13 -8.463 12.255 3.699 1.00 43.14 O ATOM 157 CB LEU A 13 -6.267 11.644 1.869 1.00 62.12 C ATOM 158 CG LEU A 13 -5.947 13.098 1.521 1.00 25.23 C ATOM 159 CD1 LEU A 13 -4.544 13.480 1.957 1.00 11.25 C ATOM 160 CD2 LEU A 13 -6.161 13.364 0.044 1.00 0.44 C ATOM 0 H LEU A 13 -7.542 9.715 2.920 1.00 71.25 H new ATOM 0 HA LEU A 13 -5.327 11.424 3.793 1.00 55.55 H new ATOM 0 HB2 LEU A 13 -5.518 11.006 1.401 1.00 62.12 H new ATOM 0 HB3 LEU A 13 -7.228 11.387 1.423 1.00 62.12 H new ATOM 0 HG LEU A 13 -6.640 13.731 2.076 1.00 25.23 H new ATOM 0 HD11 LEU A 13 -4.352 14.520 1.693 1.00 11.25 H new ATOM 0 HD12 LEU A 13 -4.452 13.356 3.036 1.00 11.25 H new ATOM 0 HD13 LEU A 13 -3.820 12.839 1.455 1.00 11.25 H new ATOM 0 HD21 LEU A 13 -5.926 14.405 -0.176 1.00 0.44 H new ATOM 0 HD22 LEU A 13 -5.510 12.714 -0.541 1.00 0.44 H new ATOM 0 HD23 LEU A 13 -7.201 13.164 -0.215 1.00 0.44 H new ATOM 172 N ASP A 14 -6.800 12.979 4.991 1.00 21.51 N ATOM 173 CA ASP A 14 -7.671 13.890 5.640 1.00 32.30 C ATOM 174 C ASP A 14 -7.481 15.254 5.095 1.00 73.40 C ATOM 175 O ASP A 14 -6.500 15.954 5.379 1.00 40.45 O ATOM 176 CB ASP A 14 -7.574 13.891 7.149 1.00 51.42 C ATOM 177 CG ASP A 14 -8.578 14.867 7.737 1.00 62.21 C ATOM 178 OD1 ASP A 14 -9.745 14.888 7.278 1.00 64.41 O ATOM 179 OD2 ASP A 14 -8.218 15.638 8.642 1.00 11.45 O ATOM 0 H ASP A 14 -5.835 12.975 5.321 1.00 21.51 H new ATOM 0 HA ASP A 14 -8.681 13.541 5.425 1.00 32.30 H new ATOM 0 HB2 ASP A 14 -7.762 12.889 7.534 1.00 51.42 H new ATOM 0 HB3 ASP A 14 -6.565 14.166 7.456 1.00 51.42 H new ATOM 184 N ASP A 15 -8.377 15.583 4.260 1.00 65.14 N ATOM 185 CA ASP A 15 -8.459 16.862 3.633 1.00 22.22 C ATOM 186 C ASP A 15 -9.568 17.656 4.301 1.00 44.11 C ATOM 187 O ASP A 15 -9.907 18.758 3.877 1.00 64.12 O ATOM 188 CB ASP A 15 -8.822 16.656 2.165 1.00 53.33 C ATOM 189 CG ASP A 15 -10.210 16.051 1.990 1.00 4.40 C ATOM 190 OD1 ASP A 15 -10.513 15.027 2.643 1.00 33.23 O ATOM 191 OD2 ASP A 15 -11.016 16.588 1.197 1.00 2.43 O ATOM 0 H ASP A 15 -9.119 14.946 3.970 1.00 65.14 H new ATOM 0 HA ASP A 15 -7.510 17.392 3.719 1.00 22.22 H new ATOM 0 HB2 ASP A 15 -8.777 17.613 1.645 1.00 53.33 H new ATOM 0 HB3 ASP A 15 -8.083 16.005 1.699 1.00 53.33 H new ATOM 196 N GLY A 16 -10.131 17.081 5.340 1.00 61.31 N ATOM 197 CA GLY A 16 -11.259 17.670 5.991 1.00 2.32 C ATOM 198 C GLY A 16 -12.492 16.865 5.684 1.00 74.12 C ATOM 199 O GLY A 16 -13.487 16.929 6.398 1.00 23.20 O ATOM 0 H GLY A 16 -9.817 16.200 5.748 1.00 61.31 H new ATOM 0 HA2 GLY A 16 -11.093 17.705 7.068 1.00 2.32 H new ATOM 0 HA3 GLY A 16 -11.390 18.699 5.655 1.00 2.32 H new ATOM 203 N SER A 17 -12.416 16.090 4.625 1.00 63.34 N ATOM 204 CA SER A 17 -13.500 15.243 4.214 1.00 11.33 C ATOM 205 C SER A 17 -13.163 13.804 4.617 1.00 52.11 C ATOM 206 O SER A 17 -13.931 13.131 5.315 1.00 12.51 O ATOM 207 CB SER A 17 -13.653 15.337 2.699 1.00 51.20 C ATOM 208 OG SER A 17 -13.512 16.694 2.254 1.00 41.22 O ATOM 0 H SER A 17 -11.593 16.033 4.025 1.00 63.34 H new ATOM 0 HA SER A 17 -14.433 15.550 4.687 1.00 11.33 H new ATOM 0 HB2 SER A 17 -12.904 14.711 2.214 1.00 51.20 H new ATOM 0 HB3 SER A 17 -14.629 14.953 2.403 1.00 51.20 H new ATOM 0 HG SER A 17 -12.595 16.842 1.942 1.00 41.22 H new ATOM 214 N GLY A 18 -11.994 13.356 4.194 1.00 45.53 N ATOM 215 CA GLY A 18 -11.544 12.033 4.519 1.00 62.52 C ATOM 216 C GLY A 18 -11.711 11.089 3.361 1.00 62.43 C ATOM 217 O GLY A 18 -12.698 10.367 3.271 1.00 63.42 O ATOM 0 H GLY A 18 -11.345 13.898 3.624 1.00 45.53 H new ATOM 0 HA2 GLY A 18 -10.495 12.067 4.812 1.00 62.52 H new ATOM 0 HA3 GLY A 18 -12.103 11.659 5.377 1.00 62.52 H new ATOM 221 N ARG A 19 -10.766 11.103 2.467 1.00 0.21 N ATOM 222 CA ARG A 19 -10.809 10.235 1.305 1.00 51.14 C ATOM 223 C ARG A 19 -9.926 9.047 1.513 1.00 54.14 C ATOM 224 O ARG A 19 -9.074 9.060 2.388 1.00 44.30 O ATOM 225 CB ARG A 19 -10.365 10.954 0.048 1.00 32.44 C ATOM 226 CG ARG A 19 -11.301 12.055 -0.466 1.00 21.23 C ATOM 227 CD ARG A 19 -12.672 11.523 -0.904 1.00 52.10 C ATOM 228 NE ARG A 19 -13.544 11.120 0.222 1.00 22.34 N ATOM 229 CZ ARG A 19 -14.422 10.105 0.194 1.00 72.12 C ATOM 230 NH1 ARG A 19 -14.450 9.262 -0.842 1.00 54.45 N ATOM 231 NH2 ARG A 19 -15.239 9.914 1.225 1.00 25.45 N ATOM 0 H ARG A 19 -9.946 11.708 2.513 1.00 0.21 H new ATOM 0 HA ARG A 19 -11.845 9.920 1.180 1.00 51.14 H new ATOM 0 HB2 ARG A 19 -9.386 11.395 0.233 1.00 32.44 H new ATOM 0 HB3 ARG A 19 -10.238 10.215 -0.743 1.00 32.44 H new ATOM 0 HG2 ARG A 19 -11.440 12.800 0.317 1.00 21.23 H new ATOM 0 HG3 ARG A 19 -10.829 12.562 -1.308 1.00 21.23 H new ATOM 0 HD2 ARG A 19 -13.180 12.291 -1.488 1.00 52.10 H new ATOM 0 HD3 ARG A 19 -12.526 10.667 -1.562 1.00 52.10 H new ATOM 0 HE ARG A 19 -13.472 11.656 1.087 1.00 22.34 H new ATOM 0 HH11 ARG A 19 -13.801 9.387 -1.619 1.00 54.45 H new ATOM 0 HH12 ARG A 19 -15.120 8.493 -0.856 1.00 54.45 H new ATOM 0 HH21 ARG A 19 -15.197 10.537 2.032 1.00 25.45 H new ATOM 0 HH22 ARG A 19 -15.908 9.144 1.210 1.00 25.45 H new ATOM 245 N THR A 20 -10.107 8.037 0.716 1.00 64.23 N ATOM 246 CA THR A 20 -9.305 6.855 0.809 1.00 24.33 C ATOM 247 C THR A 20 -8.865 6.384 -0.572 1.00 61.33 C ATOM 248 O THR A 20 -9.513 6.689 -1.580 1.00 12.44 O ATOM 249 CB THR A 20 -10.065 5.736 1.556 1.00 34.45 C ATOM 250 OG1 THR A 20 -11.411 5.638 1.053 1.00 43.35 O ATOM 251 CG2 THR A 20 -10.099 6.014 3.046 1.00 45.44 C ATOM 0 H THR A 20 -10.815 8.010 -0.017 1.00 64.23 H new ATOM 0 HA THR A 20 -8.410 7.098 1.381 1.00 24.33 H new ATOM 0 HB THR A 20 -9.543 4.794 1.388 1.00 34.45 H new ATOM 0 HG1 THR A 20 -11.887 4.926 1.529 1.00 43.35 H new ATOM 0 HG21 THR A 20 -10.639 5.214 3.553 1.00 45.44 H new ATOM 0 HG22 THR A 20 -9.080 6.065 3.430 1.00 45.44 H new ATOM 0 HG23 THR A 20 -10.603 6.963 3.228 1.00 45.44 H new ATOM 259 N TYR A 21 -7.746 5.723 -0.616 1.00 32.41 N ATOM 260 CA TYR A 21 -7.223 5.134 -1.830 1.00 11.01 C ATOM 261 C TYR A 21 -6.584 3.805 -1.479 1.00 44.25 C ATOM 262 O TYR A 21 -5.831 3.713 -0.492 1.00 31.02 O ATOM 263 CB TYR A 21 -6.197 6.082 -2.486 1.00 31.54 C ATOM 264 CG TYR A 21 -5.526 5.563 -3.756 1.00 34.00 C ATOM 265 CD1 TYR A 21 -6.156 5.653 -4.992 1.00 54.12 C ATOM 266 CD2 TYR A 21 -4.252 5.003 -3.711 1.00 3.12 C ATOM 267 CE1 TYR A 21 -5.537 5.193 -6.145 1.00 21.42 C ATOM 268 CE2 TYR A 21 -3.629 4.547 -4.856 1.00 72.44 C ATOM 269 CZ TYR A 21 -4.272 4.642 -6.068 1.00 35.12 C ATOM 270 OH TYR A 21 -3.639 4.194 -7.213 1.00 63.00 O ATOM 0 H TYR A 21 -7.155 5.571 0.201 1.00 32.41 H new ATOM 0 HA TYR A 21 -8.028 4.973 -2.547 1.00 11.01 H new ATOM 0 HB2 TYR A 21 -6.698 7.021 -2.721 1.00 31.54 H new ATOM 0 HB3 TYR A 21 -5.421 6.308 -1.755 1.00 31.54 H new ATOM 0 HD1 TYR A 21 -7.143 6.088 -5.055 1.00 54.12 H new ATOM 0 HD2 TYR A 21 -3.741 4.924 -2.763 1.00 3.12 H new ATOM 0 HE1 TYR A 21 -6.041 5.265 -7.098 1.00 21.42 H new ATOM 0 HE2 TYR A 21 -2.640 4.117 -4.800 1.00 72.44 H new ATOM 0 HH TYR A 21 -2.756 3.837 -6.980 1.00 63.00 H new ATOM 280 N GLN A 22 -6.905 2.789 -2.239 1.00 64.43 N ATOM 281 CA GLN A 22 -6.353 1.472 -2.032 1.00 25.14 C ATOM 282 C GLN A 22 -5.031 1.362 -2.760 1.00 64.43 C ATOM 283 O GLN A 22 -4.962 1.628 -3.962 1.00 41.40 O ATOM 284 CB GLN A 22 -7.301 0.391 -2.574 1.00 71.33 C ATOM 285 CG GLN A 22 -6.768 -1.030 -2.393 1.00 22.14 C ATOM 286 CD GLN A 22 -7.571 -2.079 -3.136 1.00 52.15 C ATOM 287 OE1 GLN A 22 -8.158 -1.819 -4.197 1.00 41.31 O ATOM 288 NE2 GLN A 22 -7.592 -3.272 -2.616 1.00 74.04 N ATOM 0 H GLN A 22 -7.558 2.851 -3.021 1.00 64.43 H new ATOM 0 HA GLN A 22 -6.215 1.322 -0.961 1.00 25.14 H new ATOM 0 HB2 GLN A 22 -8.264 0.477 -2.070 1.00 71.33 H new ATOM 0 HB3 GLN A 22 -7.479 0.572 -3.634 1.00 71.33 H new ATOM 0 HG2 GLN A 22 -5.734 -1.067 -2.734 1.00 22.14 H new ATOM 0 HG3 GLN A 22 -6.762 -1.274 -1.331 1.00 22.14 H new ATOM 0 HE21 GLN A 22 -7.100 -3.456 -1.742 1.00 74.04 H new ATOM 0 HE22 GLN A 22 -8.101 -4.023 -3.083 1.00 74.04 H new ATOM 297 N LEU A 23 -3.993 1.001 -2.048 1.00 51.32 N ATOM 298 CA LEU A 23 -2.724 0.755 -2.671 1.00 72.54 C ATOM 299 C LEU A 23 -2.801 -0.519 -3.459 1.00 42.11 C ATOM 300 O LEU A 23 -3.231 -1.557 -2.941 1.00 21.15 O ATOM 301 CB LEU A 23 -1.593 0.657 -1.651 1.00 50.52 C ATOM 302 CG LEU A 23 -1.246 1.928 -0.886 1.00 34.40 C ATOM 303 CD1 LEU A 23 -0.107 1.652 0.062 1.00 70.22 C ATOM 304 CD2 LEU A 23 -0.860 3.035 -1.842 1.00 43.44 C ATOM 0 H LEU A 23 -4.005 0.872 -1.036 1.00 51.32 H new ATOM 0 HA LEU A 23 -2.503 1.598 -3.326 1.00 72.54 H new ATOM 0 HB2 LEU A 23 -1.854 -0.115 -0.927 1.00 50.52 H new ATOM 0 HB3 LEU A 23 -0.696 0.317 -2.169 1.00 50.52 H new ATOM 0 HG LEU A 23 -2.122 2.247 -0.321 1.00 34.40 H new ATOM 0 HD11 LEU A 23 0.140 2.562 0.609 1.00 70.22 H new ATOM 0 HD12 LEU A 23 -0.401 0.874 0.767 1.00 70.22 H new ATOM 0 HD13 LEU A 23 0.764 1.320 -0.503 1.00 70.22 H new ATOM 0 HD21 LEU A 23 -0.616 3.935 -1.277 1.00 43.44 H new ATOM 0 HD22 LEU A 23 0.007 2.726 -2.425 1.00 43.44 H new ATOM 0 HD23 LEU A 23 -1.693 3.243 -2.513 1.00 43.44 H new ATOM 316 N ARG A 24 -2.423 -0.436 -4.691 1.00 11.30 N ATOM 317 CA ARG A 24 -2.444 -1.581 -5.560 1.00 13.34 C ATOM 318 C ARG A 24 -1.082 -2.207 -5.580 1.00 62.01 C ATOM 319 O ARG A 24 -0.121 -1.596 -5.103 1.00 43.33 O ATOM 320 CB ARG A 24 -2.880 -1.187 -6.966 1.00 52.53 C ATOM 321 CG ARG A 24 -2.025 -0.119 -7.618 1.00 34.31 C ATOM 322 CD ARG A 24 -2.548 0.225 -8.995 1.00 33.15 C ATOM 323 NE ARG A 24 -3.967 0.613 -8.952 1.00 40.14 N ATOM 324 CZ ARG A 24 -4.522 1.674 -9.547 1.00 23.32 C ATOM 325 NH1 ARG A 24 -3.787 2.512 -10.285 1.00 64.51 N ATOM 326 NH2 ARG A 24 -5.830 1.882 -9.412 1.00 5.50 N ATOM 0 H ARG A 24 -2.090 0.422 -5.130 1.00 11.30 H new ATOM 0 HA ARG A 24 -3.167 -2.305 -5.184 1.00 13.34 H new ATOM 0 HB2 ARG A 24 -2.871 -2.076 -7.597 1.00 52.53 H new ATOM 0 HB3 ARG A 24 -3.911 -0.834 -6.927 1.00 52.53 H new ATOM 0 HG2 ARG A 24 -2.015 0.775 -6.995 1.00 34.31 H new ATOM 0 HG3 ARG A 24 -0.995 -0.467 -7.692 1.00 34.31 H new ATOM 0 HD2 ARG A 24 -1.959 1.040 -9.416 1.00 33.15 H new ATOM 0 HD3 ARG A 24 -2.424 -0.632 -9.657 1.00 33.15 H new ATOM 0 HE ARG A 24 -4.590 0.011 -8.414 1.00 40.14 H new ATOM 0 HH11 ARG A 24 -2.787 2.347 -10.401 1.00 64.51 H new ATOM 0 HH12 ARG A 24 -4.226 3.317 -10.732 1.00 64.51 H new ATOM 0 HH21 ARG A 24 -6.395 1.236 -8.860 1.00 5.50 H new ATOM 0 HH22 ARG A 24 -6.267 2.687 -9.860 1.00 5.50 H new ATOM 340 N GLU A 25 -0.975 -3.383 -6.133 1.00 33.31 N ATOM 341 CA GLU A 25 0.295 -4.065 -6.146 1.00 31.35 C ATOM 342 C GLU A 25 1.240 -3.457 -7.165 1.00 33.11 C ATOM 343 O GLU A 25 0.867 -3.181 -8.317 1.00 33.15 O ATOM 344 CB GLU A 25 0.158 -5.591 -6.264 1.00 13.35 C ATOM 345 CG GLU A 25 -0.641 -6.103 -7.450 1.00 33.03 C ATOM 346 CD GLU A 25 -0.727 -7.609 -7.437 1.00 43.24 C ATOM 347 OE1 GLU A 25 -1.645 -8.169 -6.788 1.00 33.14 O ATOM 348 OE2 GLU A 25 0.158 -8.280 -8.035 1.00 13.24 O ATOM 0 H GLU A 25 -1.742 -3.888 -6.577 1.00 33.31 H new ATOM 0 HA GLU A 25 0.753 -3.908 -5.170 1.00 31.35 H new ATOM 0 HB2 GLU A 25 1.158 -6.022 -6.313 1.00 13.35 H new ATOM 0 HB3 GLU A 25 -0.306 -5.965 -5.351 1.00 13.35 H new ATOM 0 HG2 GLU A 25 -1.645 -5.678 -7.427 1.00 33.03 H new ATOM 0 HG3 GLU A 25 -0.175 -5.770 -8.377 1.00 33.03 H new ATOM 355 N GLY A 26 2.434 -3.203 -6.715 1.00 52.34 N ATOM 356 CA GLY A 26 3.418 -2.534 -7.506 1.00 64.10 C ATOM 357 C GLY A 26 3.790 -1.255 -6.816 1.00 52.21 C ATOM 358 O GLY A 26 3.357 -1.021 -5.677 1.00 63.32 O ATOM 0 H GLY A 26 2.752 -3.458 -5.780 1.00 52.34 H new ATOM 0 HA2 GLY A 26 4.297 -3.166 -7.633 1.00 64.10 H new ATOM 0 HA3 GLY A 26 3.028 -2.328 -8.503 1.00 64.10 H new ATOM 362 N SER A 27 4.574 -0.439 -7.419 1.00 64.23 N ATOM 363 CA SER A 27 4.919 0.794 -6.797 1.00 24.13 C ATOM 364 C SER A 27 4.220 1.978 -7.457 1.00 1.55 C ATOM 365 O SER A 27 4.022 2.006 -8.682 1.00 61.21 O ATOM 366 CB SER A 27 6.431 0.966 -6.763 1.00 41.33 C ATOM 367 OG SER A 27 6.997 0.806 -8.059 1.00 10.23 O ATOM 0 H SER A 27 4.989 -0.597 -8.337 1.00 64.23 H new ATOM 0 HA SER A 27 4.563 0.766 -5.767 1.00 24.13 H new ATOM 0 HB2 SER A 27 6.678 1.954 -6.375 1.00 41.33 H new ATOM 0 HB3 SER A 27 6.867 0.237 -6.080 1.00 41.33 H new ATOM 0 HG SER A 27 7.969 0.923 -8.008 1.00 10.23 H new ATOM 373 N ASN A 28 3.829 2.927 -6.655 1.00 72.43 N ATOM 374 CA ASN A 28 3.206 4.133 -7.141 1.00 74.31 C ATOM 375 C ASN A 28 4.061 5.313 -6.783 1.00 55.40 C ATOM 376 O ASN A 28 4.661 5.349 -5.714 1.00 33.51 O ATOM 377 CB ASN A 28 1.761 4.326 -6.627 1.00 1.13 C ATOM 378 CG ASN A 28 1.630 4.308 -5.116 1.00 4.00 C ATOM 379 OD1 ASN A 28 1.330 3.165 -4.580 1.00 70.01 O flip ATOM 380 ND2 ASN A 28 1.773 5.321 -4.450 1.00 43.52 N flip ATOM 0 H ASN A 28 3.932 2.889 -5.641 1.00 72.43 H new ATOM 0 HA ASN A 28 3.126 4.044 -8.224 1.00 74.31 H new ATOM 0 HB2 ASN A 28 1.378 5.275 -7.002 1.00 1.13 H new ATOM 0 HB3 ASN A 28 1.131 3.540 -7.044 1.00 1.13 H new ATOM 0 HD21 ASN A 28 2.009 6.202 -4.906 1.00 43.52 H new ATOM 0 HD22 ASN A 28 1.657 5.286 -3.437 1.00 43.52 H new ATOM 387 N ILE A 29 4.153 6.246 -7.690 1.00 73.13 N ATOM 388 CA ILE A 29 4.956 7.427 -7.491 1.00 11.44 C ATOM 389 C ILE A 29 4.046 8.567 -7.079 1.00 14.15 C ATOM 390 O ILE A 29 3.075 8.879 -7.780 1.00 32.32 O ATOM 391 CB ILE A 29 5.734 7.804 -8.779 1.00 72.53 C ATOM 392 CG1 ILE A 29 6.645 6.637 -9.212 1.00 74.43 C ATOM 393 CG2 ILE A 29 6.560 9.079 -8.561 1.00 43.32 C ATOM 394 CD1 ILE A 29 7.399 6.878 -10.509 1.00 42.44 C ATOM 0 H ILE A 29 3.674 6.212 -8.590 1.00 73.13 H new ATOM 0 HA ILE A 29 5.691 7.230 -6.710 1.00 11.44 H new ATOM 0 HB ILE A 29 5.013 7.998 -9.574 1.00 72.53 H new ATOM 0 HG12 ILE A 29 7.366 6.441 -8.418 1.00 74.43 H new ATOM 0 HG13 ILE A 29 6.037 5.739 -9.321 1.00 74.43 H new ATOM 0 HG21 ILE A 29 7.098 9.325 -9.477 1.00 43.32 H new ATOM 0 HG22 ILE A 29 5.896 9.902 -8.298 1.00 43.32 H new ATOM 0 HG23 ILE A 29 7.274 8.916 -7.754 1.00 43.32 H new ATOM 0 HD11 ILE A 29 8.015 6.008 -10.739 1.00 42.44 H new ATOM 0 HD12 ILE A 29 6.688 7.043 -11.318 1.00 42.44 H new ATOM 0 HD13 ILE A 29 8.036 7.756 -10.402 1.00 42.44 H new ATOM 406 N ILE A 30 4.349 9.149 -5.963 1.00 12.20 N ATOM 407 CA ILE A 30 3.591 10.214 -5.370 1.00 54.03 C ATOM 408 C ILE A 30 4.344 11.548 -5.520 1.00 2.22 C ATOM 409 O ILE A 30 5.495 11.684 -5.087 1.00 42.55 O ATOM 410 CB ILE A 30 3.302 9.879 -3.864 1.00 71.01 C ATOM 411 CG1 ILE A 30 2.310 8.704 -3.760 1.00 53.21 C ATOM 412 CG2 ILE A 30 2.837 11.083 -3.071 1.00 14.21 C ATOM 413 CD1 ILE A 30 1.947 8.295 -2.349 1.00 54.22 C ATOM 0 H ILE A 30 5.167 8.886 -5.413 1.00 12.20 H new ATOM 0 HA ILE A 30 2.636 10.316 -5.885 1.00 54.03 H new ATOM 0 HB ILE A 30 4.246 9.576 -3.410 1.00 71.01 H new ATOM 0 HG12 ILE A 30 1.396 8.972 -4.291 1.00 53.21 H new ATOM 0 HG13 ILE A 30 2.736 7.842 -4.274 1.00 53.21 H new ATOM 0 HG21 ILE A 30 2.653 10.789 -2.038 1.00 14.21 H new ATOM 0 HG22 ILE A 30 3.606 11.855 -3.097 1.00 14.21 H new ATOM 0 HG23 ILE A 30 1.917 11.472 -3.507 1.00 14.21 H new ATOM 0 HD11 ILE A 30 1.245 7.462 -2.381 1.00 54.22 H new ATOM 0 HD12 ILE A 30 2.847 7.991 -1.815 1.00 54.22 H new ATOM 0 HD13 ILE A 30 1.487 9.138 -1.833 1.00 54.22 H new ATOM 425 N GLY A 31 3.712 12.489 -6.178 1.00 0.22 N ATOM 426 CA GLY A 31 4.263 13.806 -6.387 1.00 51.24 C ATOM 427 C GLY A 31 3.595 14.446 -7.553 1.00 3.02 C ATOM 428 O GLY A 31 2.671 13.874 -8.103 1.00 50.42 O ATOM 0 H GLY A 31 2.788 12.360 -6.589 1.00 0.22 H new ATOM 0 HA2 GLY A 31 4.123 14.416 -5.495 1.00 51.24 H new ATOM 0 HA3 GLY A 31 5.337 13.739 -6.562 1.00 51.24 H new ATOM 432 N ARG A 32 4.011 15.613 -7.937 1.00 32.44 N ATOM 433 CA ARG A 32 3.377 16.255 -9.058 1.00 71.53 C ATOM 434 C ARG A 32 4.226 16.172 -10.287 1.00 1.32 C ATOM 435 O ARG A 32 5.228 16.870 -10.414 1.00 61.32 O ATOM 436 CB ARG A 32 2.980 17.700 -8.773 1.00 5.14 C ATOM 437 CG ARG A 32 1.834 17.829 -7.804 1.00 53.11 C ATOM 438 CD ARG A 32 1.204 19.210 -7.905 1.00 33.01 C ATOM 439 NE ARG A 32 -0.118 19.248 -7.288 1.00 11.55 N ATOM 440 CZ ARG A 32 -1.050 20.182 -7.500 1.00 41.23 C ATOM 441 NH1 ARG A 32 -0.788 21.243 -8.243 1.00 15.23 N ATOM 442 NH2 ARG A 32 -2.246 20.039 -6.955 1.00 31.14 N ATOM 0 H ARG A 32 4.772 16.137 -7.504 1.00 32.44 H new ATOM 0 HA ARG A 32 2.453 15.704 -9.236 1.00 71.53 H new ATOM 0 HB2 ARG A 32 3.843 18.234 -8.375 1.00 5.14 H new ATOM 0 HB3 ARG A 32 2.709 18.186 -9.711 1.00 5.14 H new ATOM 0 HG2 ARG A 32 1.085 17.065 -8.013 1.00 53.11 H new ATOM 0 HG3 ARG A 32 2.188 17.658 -6.788 1.00 53.11 H new ATOM 0 HD2 ARG A 32 1.852 19.941 -7.422 1.00 33.01 H new ATOM 0 HD3 ARG A 32 1.124 19.498 -8.953 1.00 33.01 H new ATOM 0 HE ARG A 32 -0.351 18.497 -6.639 1.00 11.55 H new ATOM 0 HH11 ARG A 32 0.135 21.356 -8.663 1.00 15.23 H new ATOM 0 HH12 ARG A 32 -1.509 21.948 -8.397 1.00 15.23 H new ATOM 0 HH21 ARG A 32 -2.450 19.222 -6.379 1.00 31.14 H new ATOM 0 HH22 ARG A 32 -2.965 20.746 -7.110 1.00 31.14 H new ATOM 456 N GLY A 33 3.805 15.346 -11.193 1.00 63.23 N ATOM 457 CA GLY A 33 4.505 15.153 -12.411 1.00 71.53 C ATOM 458 C GLY A 33 3.718 14.273 -13.333 1.00 12.14 C ATOM 459 O GLY A 33 2.545 13.947 -13.050 1.00 45.15 O ATOM 0 H GLY A 33 2.958 14.785 -11.101 1.00 63.23 H new ATOM 0 HA2 GLY A 33 4.691 16.116 -12.887 1.00 71.53 H new ATOM 0 HA3 GLY A 33 5.478 14.703 -12.211 1.00 71.53 H new ATOM 463 N GLN A 34 4.327 13.900 -14.421 1.00 0.44 N ATOM 464 CA GLN A 34 3.716 13.035 -15.409 1.00 33.33 C ATOM 465 C GLN A 34 4.091 11.581 -15.161 1.00 33.11 C ATOM 466 O GLN A 34 3.323 10.668 -15.465 1.00 73.21 O ATOM 467 CB GLN A 34 4.036 13.476 -16.871 1.00 61.23 C ATOM 468 CG GLN A 34 5.527 13.608 -17.247 1.00 64.32 C ATOM 469 CD GLN A 34 6.235 14.752 -16.532 1.00 71.53 C ATOM 470 OE1 GLN A 34 6.782 14.573 -15.447 1.00 73.44 O ATOM 471 NE2 GLN A 34 6.201 15.922 -17.097 1.00 61.22 N ATOM 0 H GLN A 34 5.276 14.188 -14.658 1.00 0.44 H new ATOM 0 HA GLN A 34 2.636 13.128 -15.295 1.00 33.33 H new ATOM 0 HB2 GLN A 34 3.576 12.758 -17.551 1.00 61.23 H new ATOM 0 HB3 GLN A 34 3.554 14.437 -17.049 1.00 61.23 H new ATOM 0 HG2 GLN A 34 6.037 12.673 -17.013 1.00 64.32 H new ATOM 0 HG3 GLN A 34 5.610 13.756 -18.324 1.00 64.32 H new ATOM 0 HE21 GLN A 34 5.739 16.040 -17.999 1.00 61.22 H new ATOM 0 HE22 GLN A 34 6.636 16.723 -16.639 1.00 61.22 H new ATOM 480 N ASP A 35 5.265 11.368 -14.587 1.00 61.24 N ATOM 481 CA ASP A 35 5.716 10.019 -14.245 1.00 15.35 C ATOM 482 C ASP A 35 5.097 9.616 -12.923 1.00 51.11 C ATOM 483 O ASP A 35 4.990 8.431 -12.594 1.00 72.24 O ATOM 484 CB ASP A 35 7.256 9.930 -14.180 1.00 14.22 C ATOM 485 CG ASP A 35 7.877 10.785 -13.094 1.00 10.43 C ATOM 486 OD1 ASP A 35 7.727 12.034 -13.154 1.00 32.22 O ATOM 487 OD2 ASP A 35 8.534 10.237 -12.199 1.00 23.34 O ATOM 0 H ASP A 35 5.925 12.108 -14.347 1.00 61.24 H new ATOM 0 HA ASP A 35 5.394 9.332 -15.027 1.00 15.35 H new ATOM 0 HB2 ASP A 35 7.543 8.891 -14.019 1.00 14.22 H new ATOM 0 HB3 ASP A 35 7.668 10.229 -15.144 1.00 14.22 H new ATOM 492 N ALA A 36 4.663 10.614 -12.184 1.00 15.20 N ATOM 493 CA ALA A 36 3.966 10.415 -10.948 1.00 35.22 C ATOM 494 C ALA A 36 2.599 9.805 -11.226 1.00 60.31 C ATOM 495 O ALA A 36 1.908 10.201 -12.168 1.00 0.25 O ATOM 496 CB ALA A 36 3.825 11.726 -10.207 1.00 30.22 C ATOM 0 H ALA A 36 4.790 11.595 -12.434 1.00 15.20 H new ATOM 0 HA ALA A 36 4.537 9.731 -10.320 1.00 35.22 H new ATOM 0 HB1 ALA A 36 3.294 11.559 -9.270 1.00 30.22 H new ATOM 0 HB2 ALA A 36 4.814 12.133 -9.996 1.00 30.22 H new ATOM 0 HB3 ALA A 36 3.266 12.432 -10.820 1.00 30.22 H new ATOM 502 N GLN A 37 2.224 8.849 -10.423 1.00 60.14 N ATOM 503 CA GLN A 37 0.976 8.134 -10.584 1.00 70.02 C ATOM 504 C GLN A 37 -0.084 8.710 -9.663 1.00 23.24 C ATOM 505 O GLN A 37 -1.283 8.596 -9.913 1.00 21.23 O ATOM 506 CB GLN A 37 1.201 6.659 -10.292 1.00 0.53 C ATOM 507 CG GLN A 37 2.039 5.950 -11.343 1.00 55.42 C ATOM 508 CD GLN A 37 2.359 4.525 -10.967 1.00 24.44 C ATOM 509 OE1 GLN A 37 3.522 4.310 -10.409 1.00 22.44 O flip ATOM 510 NE2 GLN A 37 1.593 3.613 -11.245 1.00 51.22 N flip ATOM 0 H GLN A 37 2.779 8.536 -9.627 1.00 60.14 H new ATOM 0 HA GLN A 37 0.624 8.243 -11.610 1.00 70.02 H new ATOM 0 HB2 GLN A 37 1.690 6.560 -9.323 1.00 0.53 H new ATOM 0 HB3 GLN A 37 0.234 6.161 -10.214 1.00 0.53 H new ATOM 0 HG2 GLN A 37 1.506 5.960 -12.294 1.00 55.42 H new ATOM 0 HG3 GLN A 37 2.968 6.500 -11.492 1.00 55.42 H new ATOM 0 HE21 GLN A 37 0.693 3.817 -11.680 1.00 51.22 H new ATOM 0 HE22 GLN A 37 1.854 2.648 -11.042 1.00 51.22 H new ATOM 519 N PHE A 38 0.375 9.322 -8.609 1.00 42.53 N ATOM 520 CA PHE A 38 -0.459 9.965 -7.641 1.00 71.42 C ATOM 521 C PHE A 38 0.105 11.342 -7.405 1.00 41.54 C ATOM 522 O PHE A 38 1.277 11.487 -7.089 1.00 11.25 O ATOM 523 CB PHE A 38 -0.466 9.148 -6.336 1.00 34.13 C ATOM 524 CG PHE A 38 -1.238 9.760 -5.180 1.00 14.14 C ATOM 525 CD1 PHE A 38 -0.644 10.699 -4.348 1.00 5.21 C ATOM 526 CD2 PHE A 38 -2.538 9.373 -4.911 1.00 34.43 C ATOM 527 CE1 PHE A 38 -1.319 11.241 -3.286 1.00 60.24 C ATOM 528 CE2 PHE A 38 -3.231 9.918 -3.844 1.00 42.22 C ATOM 529 CZ PHE A 38 -2.619 10.853 -3.029 1.00 40.35 C ATOM 0 H PHE A 38 1.370 9.388 -8.396 1.00 42.53 H new ATOM 0 HA PHE A 38 -1.488 10.036 -7.995 1.00 71.42 H new ATOM 0 HB2 PHE A 38 -0.884 8.164 -6.547 1.00 34.13 H new ATOM 0 HB3 PHE A 38 0.566 8.995 -6.019 1.00 34.13 H new ATOM 0 HD1 PHE A 38 0.372 11.009 -4.542 1.00 5.21 H new ATOM 0 HD2 PHE A 38 -3.018 8.638 -5.540 1.00 34.43 H new ATOM 0 HE1 PHE A 38 -0.836 11.969 -2.652 1.00 60.24 H new ATOM 0 HE2 PHE A 38 -4.248 9.613 -3.648 1.00 42.22 H new ATOM 0 HZ PHE A 38 -3.156 11.278 -2.194 1.00 40.35 H new ATOM 539 N ARG A 39 -0.705 12.335 -7.588 1.00 0.11 N ATOM 540 CA ARG A 39 -0.303 13.688 -7.397 1.00 74.52 C ATOM 541 C ARG A 39 -1.102 14.335 -6.307 1.00 70.41 C ATOM 542 O ARG A 39 -2.321 14.195 -6.255 1.00 71.34 O ATOM 543 CB ARG A 39 -0.339 14.510 -8.696 1.00 33.24 C ATOM 544 CG ARG A 39 -1.404 14.140 -9.720 1.00 64.33 C ATOM 545 CD ARG A 39 -0.925 13.001 -10.631 1.00 64.43 C ATOM 546 NE ARG A 39 -1.895 12.681 -11.678 1.00 24.21 N ATOM 547 CZ ARG A 39 -1.593 12.436 -12.970 1.00 40.24 C ATOM 548 NH1 ARG A 39 -0.324 12.481 -13.400 1.00 63.02 N ATOM 549 NH2 ARG A 39 -2.564 12.162 -13.827 1.00 24.20 N ATOM 0 H ARG A 39 -1.677 12.226 -7.878 1.00 0.11 H new ATOM 0 HA ARG A 39 0.741 13.668 -7.084 1.00 74.52 H new ATOM 0 HB2 ARG A 39 -0.475 15.558 -8.430 1.00 33.24 H new ATOM 0 HB3 ARG A 39 0.636 14.427 -9.176 1.00 33.24 H new ATOM 0 HG2 ARG A 39 -2.317 13.839 -9.207 1.00 64.33 H new ATOM 0 HG3 ARG A 39 -1.651 15.013 -10.324 1.00 64.33 H new ATOM 0 HD2 ARG A 39 0.023 13.281 -11.091 1.00 64.43 H new ATOM 0 HD3 ARG A 39 -0.737 12.112 -10.029 1.00 64.43 H new ATOM 0 HE ARG A 39 -2.878 12.640 -11.410 1.00 24.21 H new ATOM 0 HH11 ARG A 39 0.428 12.703 -12.748 1.00 63.02 H new ATOM 0 HH12 ARG A 39 -0.111 12.294 -14.380 1.00 63.02 H new ATOM 0 HH21 ARG A 39 -3.533 12.137 -13.509 1.00 24.20 H new ATOM 0 HH22 ARG A 39 -2.343 11.976 -14.805 1.00 24.20 H new ATOM 563 N LEU A 40 -0.410 15.034 -5.433 1.00 10.21 N ATOM 564 CA LEU A 40 -1.032 15.677 -4.293 1.00 63.13 C ATOM 565 C LEU A 40 -1.815 16.893 -4.697 1.00 74.43 C ATOM 566 O LEU A 40 -1.445 17.587 -5.632 1.00 42.11 O ATOM 567 CB LEU A 40 -0.022 16.074 -3.203 1.00 32.21 C ATOM 568 CG LEU A 40 0.633 14.950 -2.421 1.00 12.15 C ATOM 569 CD1 LEU A 40 1.657 14.226 -3.249 1.00 52.14 C ATOM 570 CD2 LEU A 40 1.232 15.476 -1.145 1.00 33.34 C ATOM 0 H LEU A 40 0.599 15.173 -5.492 1.00 10.21 H new ATOM 0 HA LEU A 40 -1.708 14.930 -3.877 1.00 63.13 H new ATOM 0 HB2 LEU A 40 0.766 16.663 -3.671 1.00 32.21 H new ATOM 0 HB3 LEU A 40 -0.530 16.727 -2.494 1.00 32.21 H new ATOM 0 HG LEU A 40 -0.139 14.225 -2.161 1.00 12.15 H new ATOM 0 HD11 LEU A 40 2.105 13.428 -2.657 1.00 52.14 H new ATOM 0 HD12 LEU A 40 1.177 13.799 -4.129 1.00 52.14 H new ATOM 0 HD13 LEU A 40 2.432 14.925 -3.562 1.00 52.14 H new ATOM 0 HD21 LEU A 40 1.697 14.657 -0.597 1.00 33.34 H new ATOM 0 HD22 LEU A 40 1.984 16.229 -1.380 1.00 33.34 H new ATOM 0 HD23 LEU A 40 0.449 15.924 -0.533 1.00 33.34 H new ATOM 582 N PRO A 41 -2.893 17.169 -3.985 1.00 64.43 N ATOM 583 CA PRO A 41 -3.758 18.323 -4.239 1.00 44.45 C ATOM 584 C PRO A 41 -3.216 19.633 -3.639 1.00 32.12 C ATOM 585 O PRO A 41 -3.982 20.547 -3.354 1.00 74.12 O ATOM 586 CB PRO A 41 -5.040 17.923 -3.531 1.00 23.33 C ATOM 587 CG PRO A 41 -4.592 17.092 -2.394 1.00 22.14 C ATOM 588 CD PRO A 41 -3.407 16.340 -2.875 1.00 2.41 C ATOM 0 HA PRO A 41 -3.860 18.531 -5.304 1.00 44.45 H new ATOM 0 HB2 PRO A 41 -5.594 18.797 -3.189 1.00 23.33 H new ATOM 0 HB3 PRO A 41 -5.702 17.365 -4.194 1.00 23.33 H new ATOM 0 HG2 PRO A 41 -4.337 17.712 -1.535 1.00 22.14 H new ATOM 0 HG3 PRO A 41 -5.381 16.412 -2.074 1.00 22.14 H new ATOM 0 HD2 PRO A 41 -2.663 16.219 -2.088 1.00 2.41 H new ATOM 0 HD3 PRO A 41 -3.678 15.340 -3.214 1.00 2.41 H new ATOM 596 N ASP A 42 -1.916 19.733 -3.469 1.00 73.00 N ATOM 597 CA ASP A 42 -1.332 20.946 -2.926 1.00 52.13 C ATOM 598 C ASP A 42 -0.083 21.276 -3.711 1.00 54.14 C ATOM 599 O ASP A 42 0.336 20.484 -4.561 1.00 53.35 O ATOM 600 CB ASP A 42 -0.993 20.805 -1.443 1.00 64.54 C ATOM 601 CG ASP A 42 -1.076 22.143 -0.719 1.00 21.20 C ATOM 602 OD1 ASP A 42 -0.115 22.953 -0.779 1.00 71.25 O ATOM 603 OD2 ASP A 42 -2.125 22.425 -0.117 1.00 73.51 O ATOM 0 H ASP A 42 -1.246 18.998 -3.696 1.00 73.00 H new ATOM 0 HA ASP A 42 -2.063 21.750 -3.014 1.00 52.13 H new ATOM 0 HB2 ASP A 42 -1.678 20.096 -0.978 1.00 64.54 H new ATOM 0 HB3 ASP A 42 0.011 20.394 -1.336 1.00 64.54 H new ATOM 608 N THR A 43 0.527 22.378 -3.400 1.00 22.01 N ATOM 609 CA THR A 43 1.646 22.876 -4.140 1.00 21.11 C ATOM 610 C THR A 43 2.949 22.636 -3.328 1.00 74.53 C ATOM 611 O THR A 43 2.888 22.207 -2.180 1.00 21.11 O ATOM 612 CB THR A 43 1.428 24.391 -4.377 1.00 44.24 C ATOM 613 OG1 THR A 43 0.050 24.624 -4.757 1.00 14.32 O ATOM 614 CG2 THR A 43 2.318 24.907 -5.488 1.00 73.04 C ATOM 0 H THR A 43 0.257 22.967 -2.612 1.00 22.01 H new ATOM 0 HA THR A 43 1.737 22.362 -5.097 1.00 21.11 H new ATOM 0 HB THR A 43 1.673 24.914 -3.452 1.00 44.24 H new ATOM 0 HG1 THR A 43 -0.091 25.582 -4.906 1.00 14.32 H new ATOM 0 HG21 THR A 43 2.141 25.973 -5.630 1.00 73.04 H new ATOM 0 HG22 THR A 43 3.363 24.744 -5.223 1.00 73.04 H new ATOM 0 HG23 THR A 43 2.091 24.375 -6.412 1.00 73.04 H new ATOM 622 N GLY A 44 4.113 22.862 -3.940 1.00 70.33 N ATOM 623 CA GLY A 44 5.379 22.736 -3.232 1.00 34.04 C ATOM 624 C GLY A 44 5.917 21.331 -3.288 1.00 71.32 C ATOM 625 O GLY A 44 6.961 21.018 -2.701 1.00 24.44 O ATOM 0 H GLY A 44 4.201 23.132 -4.920 1.00 70.33 H new ATOM 0 HA2 GLY A 44 6.107 23.421 -3.666 1.00 34.04 H new ATOM 0 HA3 GLY A 44 5.244 23.032 -2.192 1.00 34.04 H new ATOM 629 N VAL A 45 5.211 20.490 -3.989 1.00 60.21 N ATOM 630 CA VAL A 45 5.569 19.109 -4.118 1.00 34.10 C ATOM 631 C VAL A 45 6.371 18.923 -5.397 1.00 42.32 C ATOM 632 O VAL A 45 6.013 19.474 -6.453 1.00 72.53 O ATOM 633 CB VAL A 45 4.302 18.207 -4.158 1.00 65.42 C ATOM 634 CG1 VAL A 45 4.673 16.741 -4.149 1.00 74.50 C ATOM 635 CG2 VAL A 45 3.362 18.530 -3.005 1.00 34.44 C ATOM 0 H VAL A 45 4.362 20.748 -4.492 1.00 60.21 H new ATOM 0 HA VAL A 45 6.166 18.818 -3.254 1.00 34.10 H new ATOM 0 HB VAL A 45 3.779 18.417 -5.091 1.00 65.42 H new ATOM 0 HG11 VAL A 45 3.767 16.136 -4.178 1.00 74.50 H new ATOM 0 HG12 VAL A 45 5.287 16.516 -5.021 1.00 74.50 H new ATOM 0 HG13 VAL A 45 5.233 16.513 -3.242 1.00 74.50 H new ATOM 0 HG21 VAL A 45 2.485 17.884 -3.058 1.00 34.44 H new ATOM 0 HG22 VAL A 45 3.877 18.365 -2.059 1.00 34.44 H new ATOM 0 HG23 VAL A 45 3.050 19.572 -3.071 1.00 34.44 H new ATOM 645 N SER A 46 7.452 18.205 -5.294 1.00 40.15 N ATOM 646 CA SER A 46 8.299 17.889 -6.419 1.00 71.23 C ATOM 647 C SER A 46 7.595 16.853 -7.325 1.00 61.04 C ATOM 648 O SER A 46 6.493 16.383 -6.991 1.00 65.51 O ATOM 649 CB SER A 46 9.589 17.321 -5.861 1.00 61.40 C ATOM 650 OG SER A 46 10.082 18.156 -4.814 1.00 74.52 O ATOM 0 H SER A 46 7.780 17.813 -4.411 1.00 40.15 H new ATOM 0 HA SER A 46 8.504 18.774 -7.021 1.00 71.23 H new ATOM 0 HB2 SER A 46 9.418 16.313 -5.482 1.00 61.40 H new ATOM 0 HB3 SER A 46 10.333 17.241 -6.654 1.00 61.40 H new ATOM 0 HG SER A 46 10.914 17.779 -4.460 1.00 74.52 H new ATOM 656 N ARG A 47 8.207 16.498 -8.462 1.00 73.32 N ATOM 657 CA ARG A 47 7.611 15.494 -9.351 1.00 22.23 C ATOM 658 C ARG A 47 7.587 14.140 -8.675 1.00 53.45 C ATOM 659 O ARG A 47 6.651 13.365 -8.832 1.00 51.13 O ATOM 660 CB ARG A 47 8.286 15.438 -10.739 1.00 70.24 C ATOM 661 CG ARG A 47 9.765 15.106 -10.735 1.00 74.32 C ATOM 662 CD ARG A 47 10.341 15.136 -12.141 1.00 62.32 C ATOM 663 NE ARG A 47 9.737 14.124 -13.028 1.00 63.04 N ATOM 664 CZ ARG A 47 10.070 13.917 -14.313 1.00 44.31 C ATOM 665 NH1 ARG A 47 10.970 14.686 -14.923 1.00 22.33 N ATOM 666 NH2 ARG A 47 9.474 12.955 -14.982 1.00 53.21 N ATOM 0 H ARG A 47 9.096 16.882 -8.783 1.00 73.32 H new ATOM 0 HA ARG A 47 6.583 15.801 -9.542 1.00 22.23 H new ATOM 0 HB2 ARG A 47 7.767 14.696 -11.346 1.00 70.24 H new ATOM 0 HB3 ARG A 47 8.150 16.402 -11.229 1.00 70.24 H new ATOM 0 HG2 ARG A 47 10.298 15.819 -10.106 1.00 74.32 H new ATOM 0 HG3 ARG A 47 9.917 14.119 -10.298 1.00 74.32 H new ATOM 0 HD2 ARG A 47 10.188 16.126 -12.570 1.00 62.32 H new ATOM 0 HD3 ARG A 47 11.418 14.973 -12.091 1.00 62.32 H new ATOM 0 HE ARG A 47 9.006 13.532 -12.633 1.00 63.04 H new ATOM 0 HH11 ARG A 47 11.419 15.447 -14.414 1.00 22.33 H new ATOM 0 HH12 ARG A 47 11.210 14.514 -15.899 1.00 22.33 H new ATOM 0 HH21 ARG A 47 8.769 12.377 -14.525 1.00 53.21 H new ATOM 0 HH22 ARG A 47 9.717 12.787 -15.958 1.00 53.21 H new ATOM 680 N ARG A 48 8.604 13.890 -7.894 1.00 14.15 N ATOM 681 CA ARG A 48 8.685 12.716 -7.095 1.00 24.52 C ATOM 682 C ARG A 48 8.914 13.141 -5.681 1.00 61.11 C ATOM 683 O ARG A 48 9.958 13.681 -5.356 1.00 43.23 O ATOM 684 CB ARG A 48 9.810 11.794 -7.556 1.00 53.34 C ATOM 685 CG ARG A 48 9.601 11.204 -8.933 1.00 44.24 C ATOM 686 CD ARG A 48 10.728 10.274 -9.298 1.00 53.44 C ATOM 687 NE ARG A 48 10.498 9.623 -10.575 1.00 54.34 N ATOM 688 CZ ARG A 48 11.195 8.604 -11.061 1.00 63.12 C ATOM 689 NH1 ARG A 48 12.225 8.083 -10.370 1.00 23.23 N ATOM 690 NH2 ARG A 48 10.855 8.107 -12.239 1.00 30.45 N ATOM 0 H ARG A 48 9.407 14.512 -7.800 1.00 14.15 H new ATOM 0 HA ARG A 48 7.756 12.153 -7.187 1.00 24.52 H new ATOM 0 HB2 ARG A 48 10.747 12.351 -7.550 1.00 53.34 H new ATOM 0 HB3 ARG A 48 9.917 10.982 -6.837 1.00 53.34 H new ATOM 0 HG2 ARG A 48 8.655 10.663 -8.961 1.00 44.24 H new ATOM 0 HG3 ARG A 48 9.533 12.005 -9.669 1.00 44.24 H new ATOM 0 HD2 ARG A 48 11.662 10.834 -9.339 1.00 53.44 H new ATOM 0 HD3 ARG A 48 10.842 9.519 -8.520 1.00 53.44 H new ATOM 0 HE ARG A 48 9.734 9.980 -11.149 1.00 54.34 H new ATOM 0 HH11 ARG A 48 12.478 8.471 -9.461 1.00 23.23 H new ATOM 0 HH12 ARG A 48 12.753 7.300 -10.755 1.00 23.23 H new ATOM 0 HH21 ARG A 48 10.071 8.507 -12.754 1.00 30.45 H new ATOM 0 HH22 ARG A 48 11.377 7.324 -12.632 1.00 30.45 H new ATOM 704 N HIS A 49 7.924 12.964 -4.873 1.00 14.34 N ATOM 705 CA HIS A 49 7.996 13.308 -3.462 1.00 4.31 C ATOM 706 C HIS A 49 8.157 12.054 -2.647 1.00 74.13 C ATOM 707 O HIS A 49 8.826 12.043 -1.636 1.00 21.53 O ATOM 708 CB HIS A 49 6.738 14.122 -3.002 1.00 75.22 C ATOM 709 CG HIS A 49 6.594 14.270 -1.492 1.00 4.33 C ATOM 710 ND1 HIS A 49 7.203 15.282 -0.809 1.00 64.22 N ATOM 711 CD2 HIS A 49 5.959 13.457 -0.600 1.00 53.21 C ATOM 712 CE1 HIS A 49 6.941 15.063 0.475 1.00 35.13 C ATOM 713 NE2 HIS A 49 6.195 13.968 0.652 1.00 32.31 N ATOM 0 H HIS A 49 7.026 12.574 -5.160 1.00 14.34 H new ATOM 0 HA HIS A 49 8.863 13.949 -3.305 1.00 4.31 H new ATOM 0 HB2 HIS A 49 6.781 15.115 -3.448 1.00 75.22 H new ATOM 0 HB3 HIS A 49 5.844 13.636 -3.393 1.00 75.22 H new ATOM 0 HD2 HIS A 49 5.379 12.576 -0.835 1.00 53.21 H new ATOM 0 HE1 HIS A 49 7.289 15.694 1.279 1.00 35.13 H new ATOM 0 HE2 HIS A 49 5.867 13.588 1.540 1.00 32.31 H new ATOM 721 N LEU A 50 7.552 10.999 -3.102 1.00 34.44 N ATOM 722 CA LEU A 50 7.554 9.769 -2.387 1.00 20.55 C ATOM 723 C LEU A 50 7.084 8.677 -3.320 1.00 73.43 C ATOM 724 O LEU A 50 6.527 8.964 -4.366 1.00 71.44 O ATOM 725 CB LEU A 50 6.635 9.947 -1.140 1.00 51.42 C ATOM 726 CG LEU A 50 6.413 8.774 -0.193 1.00 54.40 C ATOM 727 CD1 LEU A 50 6.102 9.311 1.185 1.00 71.52 C ATOM 728 CD2 LEU A 50 5.228 7.957 -0.654 1.00 73.12 C ATOM 0 H LEU A 50 7.042 10.972 -3.985 1.00 34.44 H new ATOM 0 HA LEU A 50 8.546 9.487 -2.035 1.00 20.55 H new ATOM 0 HB2 LEU A 50 7.041 10.769 -0.551 1.00 51.42 H new ATOM 0 HB3 LEU A 50 5.656 10.265 -1.499 1.00 51.42 H new ATOM 0 HG LEU A 50 7.309 8.154 -0.177 1.00 54.40 H new ATOM 0 HD11 LEU A 50 5.941 8.480 1.872 1.00 71.52 H new ATOM 0 HD12 LEU A 50 6.938 9.916 1.537 1.00 71.52 H new ATOM 0 HD13 LEU A 50 5.203 9.925 1.142 1.00 71.52 H new ATOM 0 HD21 LEU A 50 5.076 7.120 0.028 1.00 73.12 H new ATOM 0 HD22 LEU A 50 4.336 8.584 -0.665 1.00 73.12 H new ATOM 0 HD23 LEU A 50 5.417 7.577 -1.658 1.00 73.12 H new ATOM 740 N GLU A 51 7.386 7.469 -2.999 1.00 63.32 N ATOM 741 CA GLU A 51 6.894 6.333 -3.742 1.00 43.01 C ATOM 742 C GLU A 51 6.562 5.204 -2.791 1.00 51.41 C ATOM 743 O GLU A 51 7.285 4.958 -1.808 1.00 34.20 O ATOM 744 CB GLU A 51 7.895 5.868 -4.802 1.00 61.42 C ATOM 745 CG GLU A 51 9.258 5.530 -4.251 1.00 2.35 C ATOM 746 CD GLU A 51 10.187 5.020 -5.300 1.00 33.14 C ATOM 747 OE1 GLU A 51 10.222 3.790 -5.530 1.00 52.21 O ATOM 748 OE2 GLU A 51 10.923 5.831 -5.902 1.00 4.33 O ATOM 0 H GLU A 51 7.985 7.225 -2.210 1.00 63.32 H new ATOM 0 HA GLU A 51 5.990 6.640 -4.267 1.00 43.01 H new ATOM 0 HB2 GLU A 51 7.491 4.991 -5.309 1.00 61.42 H new ATOM 0 HB3 GLU A 51 8.002 6.650 -5.554 1.00 61.42 H new ATOM 0 HG2 GLU A 51 9.690 6.417 -3.788 1.00 2.35 H new ATOM 0 HG3 GLU A 51 9.154 4.780 -3.467 1.00 2.35 H new ATOM 755 N ILE A 52 5.473 4.554 -3.040 1.00 4.42 N ATOM 756 CA ILE A 52 5.065 3.450 -2.226 1.00 72.12 C ATOM 757 C ILE A 52 5.133 2.189 -3.035 1.00 14.41 C ATOM 758 O ILE A 52 4.416 2.043 -4.028 1.00 33.51 O ATOM 759 CB ILE A 52 3.620 3.601 -1.684 1.00 43.31 C ATOM 760 CG1 ILE A 52 3.467 4.900 -0.889 1.00 34.54 C ATOM 761 CG2 ILE A 52 3.279 2.400 -0.805 1.00 10.44 C ATOM 762 CD1 ILE A 52 2.064 5.152 -0.371 1.00 70.23 C ATOM 0 H ILE A 52 4.841 4.770 -3.811 1.00 4.42 H new ATOM 0 HA ILE A 52 5.742 3.418 -1.372 1.00 72.12 H new ATOM 0 HB ILE A 52 2.931 3.641 -2.528 1.00 43.31 H new ATOM 0 HG12 ILE A 52 4.155 4.879 -0.044 1.00 34.54 H new ATOM 0 HG13 ILE A 52 3.764 5.737 -1.521 1.00 34.54 H new ATOM 0 HG21 ILE A 52 2.263 2.505 -0.423 1.00 10.44 H new ATOM 0 HG22 ILE A 52 3.353 1.486 -1.394 1.00 10.44 H new ATOM 0 HG23 ILE A 52 3.977 2.351 0.031 1.00 10.44 H new ATOM 0 HD11 ILE A 52 2.043 6.092 0.180 1.00 70.23 H new ATOM 0 HD12 ILE A 52 1.371 5.208 -1.210 1.00 70.23 H new ATOM 0 HD13 ILE A 52 1.768 4.337 0.290 1.00 70.23 H new ATOM 774 N ARG A 53 5.995 1.302 -2.653 1.00 5.10 N ATOM 775 CA ARG A 53 6.047 0.031 -3.287 1.00 20.12 C ATOM 776 C ARG A 53 5.271 -0.949 -2.467 1.00 41.51 C ATOM 777 O ARG A 53 5.693 -1.348 -1.379 1.00 44.03 O ATOM 778 CB ARG A 53 7.472 -0.483 -3.503 1.00 1.13 C ATOM 779 CG ARG A 53 7.487 -1.913 -4.024 1.00 31.35 C ATOM 780 CD ARG A 53 8.875 -2.486 -4.121 1.00 34.44 C ATOM 781 NE ARG A 53 8.824 -3.943 -4.299 1.00 23.44 N ATOM 782 CZ ARG A 53 9.862 -4.761 -4.161 1.00 25.24 C ATOM 783 NH1 ARG A 53 11.091 -4.268 -4.005 1.00 50.13 N ATOM 784 NH2 ARG A 53 9.674 -6.072 -4.178 1.00 21.11 N ATOM 0 H ARG A 53 6.673 1.438 -1.903 1.00 5.10 H new ATOM 0 HA ARG A 53 5.610 0.144 -4.279 1.00 20.12 H new ATOM 0 HB2 ARG A 53 7.989 0.166 -4.210 1.00 1.13 H new ATOM 0 HB3 ARG A 53 8.022 -0.433 -2.563 1.00 1.13 H new ATOM 0 HG2 ARG A 53 6.885 -2.540 -3.366 1.00 31.35 H new ATOM 0 HG3 ARG A 53 7.018 -1.941 -5.008 1.00 31.35 H new ATOM 0 HD2 ARG A 53 9.404 -2.031 -4.958 1.00 34.44 H new ATOM 0 HD3 ARG A 53 9.437 -2.244 -3.219 1.00 34.44 H new ATOM 0 HE ARG A 53 7.926 -4.357 -4.547 1.00 23.44 H new ATOM 0 HH11 ARG A 53 11.238 -3.259 -3.991 1.00 50.13 H new ATOM 0 HH12 ARG A 53 11.884 -4.900 -3.899 1.00 50.13 H new ATOM 0 HH21 ARG A 53 8.735 -6.451 -4.297 1.00 21.11 H new ATOM 0 HH22 ARG A 53 10.469 -6.703 -4.072 1.00 21.11 H new ATOM 798 N TRP A 54 4.154 -1.320 -2.960 1.00 23.20 N ATOM 799 CA TRP A 54 3.363 -2.286 -2.306 1.00 45.23 C ATOM 800 C TRP A 54 3.625 -3.637 -2.940 1.00 42.14 C ATOM 801 O TRP A 54 3.263 -3.893 -4.097 1.00 54.12 O ATOM 802 CB TRP A 54 1.874 -1.887 -2.316 1.00 5.40 C ATOM 803 CG TRP A 54 0.930 -2.986 -1.870 1.00 4.21 C ATOM 804 CD1 TRP A 54 -0.117 -3.482 -2.571 1.00 74.33 C ATOM 805 CD2 TRP A 54 0.975 -3.744 -0.645 1.00 22.03 C ATOM 806 NE1 TRP A 54 -0.720 -4.497 -1.881 1.00 35.12 N ATOM 807 CE2 TRP A 54 -0.071 -4.680 -0.699 1.00 41.12 C ATOM 808 CE3 TRP A 54 1.794 -3.727 0.477 1.00 22.12 C ATOM 809 CZ2 TRP A 54 -0.312 -5.591 0.327 1.00 12.23 C ATOM 810 CZ3 TRP A 54 1.552 -4.628 1.496 1.00 2.53 C ATOM 811 CH2 TRP A 54 0.509 -5.551 1.414 1.00 45.41 C ATOM 0 H TRP A 54 3.761 -0.962 -3.830 1.00 23.20 H new ATOM 0 HA TRP A 54 3.638 -2.348 -1.253 1.00 45.23 H new ATOM 0 HB2 TRP A 54 1.738 -1.022 -1.667 1.00 5.40 H new ATOM 0 HB3 TRP A 54 1.600 -1.576 -3.324 1.00 5.40 H new ATOM 0 HD1 TRP A 54 -0.432 -3.125 -3.541 1.00 74.33 H new ATOM 0 HE1 TRP A 54 -1.527 -5.032 -2.201 1.00 35.12 H new ATOM 0 HE3 TRP A 54 2.607 -3.020 0.552 1.00 22.12 H new ATOM 0 HZ2 TRP A 54 -1.121 -6.304 0.263 1.00 12.23 H new ATOM 0 HZ3 TRP A 54 2.182 -4.618 2.373 1.00 2.53 H new ATOM 0 HH2 TRP A 54 0.350 -6.245 2.226 1.00 45.41 H new ATOM 822 N ASP A 55 4.324 -4.452 -2.211 1.00 71.14 N ATOM 823 CA ASP A 55 4.653 -5.786 -2.640 1.00 74.54 C ATOM 824 C ASP A 55 3.651 -6.705 -1.958 1.00 63.01 C ATOM 825 O ASP A 55 2.930 -6.255 -1.083 1.00 25.04 O ATOM 826 CB ASP A 55 6.098 -6.113 -2.220 1.00 23.52 C ATOM 827 CG ASP A 55 6.638 -7.393 -2.822 1.00 3.24 C ATOM 828 OD1 ASP A 55 6.420 -8.474 -2.258 1.00 14.44 O ATOM 829 OD2 ASP A 55 7.307 -7.334 -3.879 1.00 64.40 O ATOM 0 H ASP A 55 4.689 -4.211 -1.289 1.00 71.14 H new ATOM 0 HA ASP A 55 4.599 -5.903 -3.722 1.00 74.54 H new ATOM 0 HB2 ASP A 55 6.746 -5.286 -2.509 1.00 23.52 H new ATOM 0 HB3 ASP A 55 6.142 -6.187 -1.133 1.00 23.52 H new ATOM 834 N GLY A 56 3.606 -7.964 -2.300 1.00 54.24 N ATOM 835 CA GLY A 56 2.579 -8.829 -1.741 1.00 41.11 C ATOM 836 C GLY A 56 2.908 -9.365 -0.356 1.00 44.42 C ATOM 837 O GLY A 56 2.799 -10.574 -0.116 1.00 41.42 O ATOM 0 H GLY A 56 4.250 -8.416 -2.949 1.00 54.24 H new ATOM 0 HA2 GLY A 56 1.640 -8.277 -1.692 1.00 41.11 H new ATOM 0 HA3 GLY A 56 2.419 -9.670 -2.416 1.00 41.11 H new ATOM 841 N GLN A 57 3.302 -8.469 0.537 1.00 33.12 N ATOM 842 CA GLN A 57 3.596 -8.783 1.920 1.00 55.14 C ATOM 843 C GLN A 57 3.815 -7.484 2.694 1.00 22.43 C ATOM 844 O GLN A 57 3.040 -7.154 3.587 1.00 22.13 O ATOM 845 CB GLN A 57 4.824 -9.699 2.068 1.00 24.15 C ATOM 846 CG GLN A 57 5.056 -10.206 3.492 1.00 74.25 C ATOM 847 CD GLN A 57 3.925 -11.101 4.000 1.00 50.22 C ATOM 848 OE1 GLN A 57 3.266 -11.807 3.228 1.00 55.34 O ATOM 849 NE2 GLN A 57 3.686 -11.074 5.279 1.00 41.11 N ATOM 0 H GLN A 57 3.428 -7.482 0.311 1.00 33.12 H new ATOM 0 HA GLN A 57 2.744 -9.328 2.327 1.00 55.14 H new ATOM 0 HB2 GLN A 57 4.708 -10.555 1.403 1.00 24.15 H new ATOM 0 HB3 GLN A 57 5.710 -9.157 1.738 1.00 24.15 H new ATOM 0 HG2 GLN A 57 5.994 -10.761 3.526 1.00 74.25 H new ATOM 0 HG3 GLN A 57 5.166 -9.353 4.162 1.00 74.25 H new ATOM 0 HE21 GLN A 57 4.247 -10.481 5.890 1.00 41.11 H new ATOM 0 HE22 GLN A 57 2.937 -11.646 5.670 1.00 41.11 H new ATOM 858 N VAL A 58 4.849 -6.738 2.342 1.00 42.30 N ATOM 859 CA VAL A 58 5.134 -5.493 3.048 1.00 31.23 C ATOM 860 C VAL A 58 4.985 -4.274 2.146 1.00 11.12 C ATOM 861 O VAL A 58 5.190 -4.347 0.920 1.00 61.43 O ATOM 862 CB VAL A 58 6.534 -5.476 3.739 1.00 20.43 C ATOM 863 CG1 VAL A 58 6.629 -6.556 4.807 1.00 13.32 C ATOM 864 CG2 VAL A 58 7.664 -5.626 2.726 1.00 73.40 C ATOM 0 H VAL A 58 5.496 -6.964 1.587 1.00 42.30 H new ATOM 0 HA VAL A 58 4.383 -5.440 3.836 1.00 31.23 H new ATOM 0 HB VAL A 58 6.645 -4.504 4.220 1.00 20.43 H new ATOM 0 HG11 VAL A 58 7.614 -6.522 5.272 1.00 13.32 H new ATOM 0 HG12 VAL A 58 5.864 -6.387 5.565 1.00 13.32 H new ATOM 0 HG13 VAL A 58 6.477 -7.534 4.350 1.00 13.32 H new ATOM 0 HG21 VAL A 58 8.622 -5.610 3.245 1.00 73.40 H new ATOM 0 HG22 VAL A 58 7.554 -6.572 2.196 1.00 73.40 H new ATOM 0 HG23 VAL A 58 7.624 -4.804 2.012 1.00 73.40 H new ATOM 874 N ALA A 59 4.610 -3.172 2.751 1.00 32.15 N ATOM 875 CA ALA A 59 4.445 -1.922 2.053 1.00 63.14 C ATOM 876 C ALA A 59 5.667 -1.063 2.270 1.00 22.41 C ATOM 877 O ALA A 59 5.857 -0.481 3.345 1.00 65.31 O ATOM 878 CB ALA A 59 3.196 -1.211 2.534 1.00 64.33 C ATOM 0 H ALA A 59 4.410 -3.119 3.750 1.00 32.15 H new ATOM 0 HA ALA A 59 4.332 -2.115 0.986 1.00 63.14 H new ATOM 0 HB1 ALA A 59 3.085 -0.269 1.998 1.00 64.33 H new ATOM 0 HB2 ALA A 59 2.325 -1.839 2.348 1.00 64.33 H new ATOM 0 HB3 ALA A 59 3.279 -1.013 3.603 1.00 64.33 H new ATOM 884 N LEU A 60 6.491 -1.009 1.273 1.00 53.03 N ATOM 885 CA LEU A 60 7.731 -0.293 1.331 1.00 14.24 C ATOM 886 C LEU A 60 7.476 1.180 1.006 1.00 43.24 C ATOM 887 O LEU A 60 7.083 1.533 -0.112 1.00 43.30 O ATOM 888 CB LEU A 60 8.727 -0.966 0.354 1.00 53.44 C ATOM 889 CG LEU A 60 10.205 -0.517 0.347 1.00 71.02 C ATOM 890 CD1 LEU A 60 11.014 -1.521 -0.442 1.00 13.43 C ATOM 891 CD2 LEU A 60 10.376 0.855 -0.287 1.00 2.13 C ATOM 0 H LEU A 60 6.321 -1.468 0.378 1.00 53.03 H new ATOM 0 HA LEU A 60 8.170 -0.325 2.328 1.00 14.24 H new ATOM 0 HB2 LEU A 60 8.712 -2.037 0.558 1.00 53.44 H new ATOM 0 HB3 LEU A 60 8.339 -0.828 -0.655 1.00 53.44 H new ATOM 0 HG LEU A 60 10.547 -0.459 1.380 1.00 71.02 H new ATOM 0 HD11 LEU A 60 12.060 -1.216 -0.455 1.00 13.43 H new ATOM 0 HD12 LEU A 60 10.928 -2.503 0.023 1.00 13.43 H new ATOM 0 HD13 LEU A 60 10.638 -1.569 -1.464 1.00 13.43 H new ATOM 0 HD21 LEU A 60 11.430 1.134 -0.272 1.00 2.13 H new ATOM 0 HD22 LEU A 60 10.023 0.826 -1.318 1.00 2.13 H new ATOM 0 HD23 LEU A 60 9.798 1.590 0.274 1.00 2.13 H new ATOM 903 N LEU A 61 7.673 2.009 1.985 1.00 73.50 N ATOM 904 CA LEU A 61 7.482 3.428 1.869 1.00 70.22 C ATOM 905 C LEU A 61 8.850 4.078 1.683 1.00 64.01 C ATOM 906 O LEU A 61 9.745 3.926 2.530 1.00 52.12 O ATOM 907 CB LEU A 61 6.756 3.920 3.164 1.00 52.14 C ATOM 908 CG LEU A 61 6.319 5.404 3.310 1.00 24.30 C ATOM 909 CD1 LEU A 61 7.487 6.386 3.398 1.00 43.44 C ATOM 910 CD2 LEU A 61 5.368 5.779 2.199 1.00 50.33 C ATOM 0 H LEU A 61 7.979 1.713 2.912 1.00 73.50 H new ATOM 0 HA LEU A 61 6.866 3.698 1.011 1.00 70.22 H new ATOM 0 HB2 LEU A 61 5.862 3.308 3.283 1.00 52.14 H new ATOM 0 HB3 LEU A 61 7.411 3.694 4.005 1.00 52.14 H new ATOM 0 HG LEU A 61 5.804 5.484 4.267 1.00 24.30 H new ATOM 0 HD11 LEU A 61 7.102 7.401 3.498 1.00 43.44 H new ATOM 0 HD12 LEU A 61 8.102 6.144 4.265 1.00 43.44 H new ATOM 0 HD13 LEU A 61 8.091 6.315 2.494 1.00 43.44 H new ATOM 0 HD21 LEU A 61 5.069 6.821 2.312 1.00 50.33 H new ATOM 0 HD22 LEU A 61 5.862 5.646 1.237 1.00 50.33 H new ATOM 0 HD23 LEU A 61 4.485 5.141 2.245 1.00 50.33 H new ATOM 922 N ALA A 62 9.023 4.765 0.580 1.00 4.24 N ATOM 923 CA ALA A 62 10.266 5.442 0.290 1.00 41.15 C ATOM 924 C ALA A 62 9.995 6.907 -0.034 1.00 52.35 C ATOM 925 O ALA A 62 9.167 7.215 -0.894 1.00 74.45 O ATOM 926 CB ALA A 62 10.987 4.749 -0.856 1.00 23.05 C ATOM 0 H ALA A 62 8.309 4.871 -0.141 1.00 4.24 H new ATOM 0 HA ALA A 62 10.912 5.400 1.167 1.00 41.15 H new ATOM 0 HB1 ALA A 62 11.922 5.269 -1.065 1.00 23.05 H new ATOM 0 HB2 ALA A 62 11.200 3.716 -0.580 1.00 23.05 H new ATOM 0 HB3 ALA A 62 10.357 4.765 -1.745 1.00 23.05 H new ATOM 932 N ASP A 63 10.671 7.787 0.657 1.00 64.12 N ATOM 933 CA ASP A 63 10.492 9.237 0.494 1.00 34.24 C ATOM 934 C ASP A 63 11.552 9.809 -0.434 1.00 31.13 C ATOM 935 O ASP A 63 12.725 9.380 -0.405 1.00 12.12 O ATOM 936 CB ASP A 63 10.584 9.925 1.865 1.00 23.22 C ATOM 937 CG ASP A 63 10.485 11.446 1.815 1.00 14.43 C ATOM 938 OD1 ASP A 63 11.519 12.100 1.631 1.00 21.42 O ATOM 939 OD2 ASP A 63 9.374 11.986 2.002 1.00 41.01 O ATOM 0 H ASP A 63 11.369 7.534 1.357 1.00 64.12 H new ATOM 0 HA ASP A 63 9.511 9.418 0.055 1.00 34.24 H new ATOM 0 HB2 ASP A 63 9.788 9.542 2.504 1.00 23.22 H new ATOM 0 HB3 ASP A 63 11.529 9.650 2.333 1.00 23.22 H new ATOM 944 N LEU A 64 11.140 10.712 -1.287 1.00 24.31 N ATOM 945 CA LEU A 64 12.044 11.435 -2.163 1.00 65.30 C ATOM 946 C LEU A 64 11.882 12.928 -1.897 1.00 3.50 C ATOM 947 O LEU A 64 11.262 13.643 -2.694 1.00 51.21 O ATOM 948 CB LEU A 64 11.704 11.207 -3.672 1.00 23.34 C ATOM 949 CG LEU A 64 11.900 9.827 -4.319 1.00 61.24 C ATOM 950 CD1 LEU A 64 13.347 9.378 -4.248 1.00 3.13 C ATOM 951 CD2 LEU A 64 10.966 8.773 -3.751 1.00 61.33 C ATOM 0 H LEU A 64 10.160 10.973 -1.399 1.00 24.31 H new ATOM 0 HA LEU A 64 13.054 11.077 -1.963 1.00 65.30 H new ATOM 0 HB2 LEU A 64 10.658 11.481 -3.810 1.00 23.34 H new ATOM 0 HB3 LEU A 64 12.298 11.918 -4.246 1.00 23.34 H new ATOM 0 HG LEU A 64 11.636 9.942 -5.370 1.00 61.24 H new ATOM 0 HD11 LEU A 64 13.447 8.398 -4.715 1.00 3.13 H new ATOM 0 HD12 LEU A 64 13.977 10.096 -4.773 1.00 3.13 H new ATOM 0 HD13 LEU A 64 13.658 9.316 -3.205 1.00 3.13 H new ATOM 0 HD21 LEU A 64 11.150 7.819 -4.246 1.00 61.33 H new ATOM 0 HD22 LEU A 64 11.145 8.667 -2.681 1.00 61.33 H new ATOM 0 HD23 LEU A 64 9.932 9.075 -3.918 1.00 61.33 H new ATOM 963 N ASN A 65 12.426 13.405 -0.812 1.00 73.45 N ATOM 964 CA ASN A 65 12.365 14.819 -0.490 1.00 24.12 C ATOM 965 C ASN A 65 13.360 15.078 0.625 1.00 21.14 C ATOM 966 O ASN A 65 13.757 14.157 1.335 1.00 31.11 O ATOM 967 CB ASN A 65 10.914 15.208 -0.080 1.00 34.10 C ATOM 968 CG ASN A 65 10.617 16.712 -0.076 1.00 51.41 C ATOM 969 OD1 ASN A 65 11.451 17.556 0.269 1.00 71.14 O ATOM 970 ND2 ASN A 65 9.425 17.060 -0.488 1.00 11.13 N ATOM 0 H ASN A 65 12.922 12.837 -0.126 1.00 73.45 H new ATOM 0 HA ASN A 65 12.624 15.434 -1.352 1.00 24.12 H new ATOM 0 HB2 ASN A 65 10.218 14.718 -0.761 1.00 34.10 H new ATOM 0 HB3 ASN A 65 10.717 14.812 0.916 1.00 34.10 H new ATOM 0 HD21 ASN A 65 9.167 18.046 -0.530 1.00 11.13 H new ATOM 0 HD22 ASN A 65 8.753 16.345 -0.768 1.00 11.13 H new ATOM 977 N SER A 66 13.844 16.273 0.716 1.00 11.42 N ATOM 978 CA SER A 66 14.801 16.604 1.715 1.00 42.51 C ATOM 979 C SER A 66 14.170 17.507 2.778 1.00 32.22 C ATOM 980 O SER A 66 14.281 17.249 3.974 1.00 70.04 O ATOM 981 CB SER A 66 16.027 17.267 1.063 1.00 53.24 C ATOM 982 OG SER A 66 17.061 17.502 2.005 1.00 34.23 O ATOM 0 H SER A 66 13.587 17.045 0.101 1.00 11.42 H new ATOM 0 HA SER A 66 15.134 15.694 2.214 1.00 42.51 H new ATOM 0 HB2 SER A 66 16.402 16.630 0.262 1.00 53.24 H new ATOM 0 HB3 SER A 66 15.730 18.211 0.606 1.00 53.24 H new ATOM 0 HG SER A 66 17.824 17.922 1.555 1.00 34.23 H new ATOM 988 N THR A 67 13.489 18.546 2.340 1.00 31.44 N ATOM 989 CA THR A 67 12.937 19.528 3.254 1.00 23.34 C ATOM 990 C THR A 67 11.520 19.169 3.722 1.00 15.02 C ATOM 991 O THR A 67 11.161 19.380 4.881 1.00 71.15 O ATOM 992 CB THR A 67 12.972 20.918 2.604 1.00 12.42 C ATOM 993 OG1 THR A 67 14.322 21.166 2.183 1.00 71.32 O ATOM 994 CG2 THR A 67 12.556 21.999 3.590 1.00 11.14 C ATOM 0 H THR A 67 13.304 18.733 1.355 1.00 31.44 H new ATOM 0 HA THR A 67 13.559 19.534 4.149 1.00 23.34 H new ATOM 0 HB THR A 67 12.277 20.942 1.764 1.00 12.42 H new ATOM 0 HG1 THR A 67 14.376 22.049 1.761 1.00 71.32 H new ATOM 0 HG21 THR A 67 12.591 22.972 3.100 1.00 11.14 H new ATOM 0 HG22 THR A 67 11.541 21.804 3.937 1.00 11.14 H new ATOM 0 HG23 THR A 67 13.237 21.997 4.441 1.00 11.14 H new ATOM 1002 N ASN A 68 10.743 18.594 2.852 1.00 51.35 N ATOM 1003 CA ASN A 68 9.370 18.236 3.190 1.00 3.35 C ATOM 1004 C ASN A 68 9.273 16.751 3.390 1.00 11.42 C ATOM 1005 O ASN A 68 8.193 16.170 3.231 1.00 3.33 O ATOM 1006 CB ASN A 68 8.393 18.686 2.097 1.00 23.23 C ATOM 1007 CG ASN A 68 8.277 20.188 1.964 1.00 2.13 C ATOM 1008 OD1 ASN A 68 9.052 20.823 1.250 1.00 11.40 O ATOM 1009 ND2 ASN A 68 7.302 20.765 2.617 1.00 23.43 N ATOM 0 H ASN A 68 11.023 18.357 1.900 1.00 51.35 H new ATOM 0 HA ASN A 68 9.097 18.748 4.113 1.00 3.35 H new ATOM 0 HB2 ASN A 68 8.714 18.270 1.142 1.00 23.23 H new ATOM 0 HB3 ASN A 68 7.407 18.272 2.311 1.00 23.23 H new ATOM 0 HD21 ASN A 68 7.165 21.773 2.543 1.00 23.43 H new ATOM 0 HD22 ASN A 68 6.678 20.207 3.200 1.00 23.43 H new ATOM 1016 N GLY A 69 10.409 16.162 3.787 1.00 15.30 N ATOM 1017 CA GLY A 69 10.529 14.731 4.018 1.00 1.34 C ATOM 1018 C GLY A 69 9.416 14.197 4.880 1.00 24.10 C ATOM 1019 O GLY A 69 9.117 14.752 5.960 1.00 51.11 O ATOM 0 H GLY A 69 11.273 16.677 3.956 1.00 15.30 H new ATOM 0 HA2 GLY A 69 10.527 14.209 3.061 1.00 1.34 H new ATOM 0 HA3 GLY A 69 11.487 14.521 4.494 1.00 1.34 H new ATOM 1023 N THR A 70 8.804 13.179 4.395 1.00 12.31 N ATOM 1024 CA THR A 70 7.669 12.569 4.997 1.00 62.04 C ATOM 1025 C THR A 70 7.979 11.994 6.402 1.00 14.02 C ATOM 1026 O THR A 70 9.004 11.332 6.630 1.00 74.14 O ATOM 1027 CB THR A 70 7.145 11.488 4.041 1.00 25.53 C ATOM 1028 OG1 THR A 70 6.908 12.094 2.749 1.00 0.42 O ATOM 1029 CG2 THR A 70 5.866 10.868 4.538 1.00 13.31 C ATOM 0 H THR A 70 9.092 12.725 3.528 1.00 12.31 H new ATOM 0 HA THR A 70 6.901 13.325 5.160 1.00 62.04 H new ATOM 0 HB THR A 70 7.892 10.697 3.975 1.00 25.53 H new ATOM 0 HG1 THR A 70 7.748 12.132 2.246 1.00 0.42 H new ATOM 0 HG21 THR A 70 5.531 10.109 3.831 1.00 13.31 H new ATOM 0 HG22 THR A 70 6.039 10.407 5.511 1.00 13.31 H new ATOM 0 HG23 THR A 70 5.101 11.639 4.632 1.00 13.31 H new ATOM 1037 N THR A 71 7.109 12.291 7.339 1.00 61.40 N ATOM 1038 CA THR A 71 7.239 11.802 8.671 1.00 74.40 C ATOM 1039 C THR A 71 6.272 10.681 8.887 1.00 42.21 C ATOM 1040 O THR A 71 5.132 10.744 8.445 1.00 53.21 O ATOM 1041 CB THR A 71 6.958 12.905 9.703 1.00 13.41 C ATOM 1042 OG1 THR A 71 5.868 13.705 9.271 1.00 41.43 O ATOM 1043 CG2 THR A 71 8.158 13.769 9.945 1.00 13.43 C ATOM 0 H THR A 71 6.291 12.882 7.187 1.00 61.40 H new ATOM 0 HA THR A 71 8.264 11.455 8.803 1.00 74.40 H new ATOM 0 HB THR A 71 6.708 12.417 10.645 1.00 13.41 H new ATOM 0 HG1 THR A 71 5.600 14.311 9.993 1.00 41.43 H new ATOM 0 HG21 THR A 71 7.913 14.534 10.681 1.00 13.43 H new ATOM 0 HG22 THR A 71 8.978 13.156 10.318 1.00 13.43 H new ATOM 0 HG23 THR A 71 8.457 14.246 9.012 1.00 13.43 H new ATOM 1051 N VAL A 72 6.706 9.689 9.571 1.00 32.33 N ATOM 1052 CA VAL A 72 5.898 8.560 9.875 1.00 11.50 C ATOM 1053 C VAL A 72 5.887 8.385 11.386 1.00 75.35 C ATOM 1054 O VAL A 72 6.939 8.299 12.023 1.00 33.25 O ATOM 1055 CB VAL A 72 6.416 7.286 9.159 1.00 11.25 C ATOM 1056 CG1 VAL A 72 6.310 7.432 7.642 1.00 34.12 C ATOM 1057 CG2 VAL A 72 7.850 7.009 9.539 1.00 51.01 C ATOM 0 H VAL A 72 7.653 9.634 9.945 1.00 32.33 H new ATOM 0 HA VAL A 72 4.882 8.722 9.515 1.00 11.50 H new ATOM 0 HB VAL A 72 5.793 6.450 9.477 1.00 11.25 H new ATOM 0 HG11 VAL A 72 6.679 6.526 7.163 1.00 34.12 H new ATOM 0 HG12 VAL A 72 5.268 7.591 7.364 1.00 34.12 H new ATOM 0 HG13 VAL A 72 6.907 8.284 7.316 1.00 34.12 H new ATOM 0 HG21 VAL A 72 8.195 6.111 9.026 1.00 51.01 H new ATOM 0 HG22 VAL A 72 8.473 7.855 9.249 1.00 51.01 H new ATOM 0 HG23 VAL A 72 7.919 6.861 10.617 1.00 51.01 H new ATOM 1067 N ASN A 73 4.712 8.462 11.962 1.00 60.50 N ATOM 1068 CA ASN A 73 4.518 8.379 13.407 1.00 41.55 C ATOM 1069 C ASN A 73 5.310 9.475 14.118 1.00 21.04 C ATOM 1070 O ASN A 73 5.747 9.312 15.261 1.00 54.42 O ATOM 1071 CB ASN A 73 4.818 6.957 13.942 1.00 52.43 C ATOM 1072 CG ASN A 73 3.758 5.962 13.478 1.00 72.14 C ATOM 1073 OD1 ASN A 73 2.596 6.322 13.311 1.00 44.30 O ATOM 1074 ND2 ASN A 73 4.136 4.729 13.260 1.00 22.41 N ATOM 0 H ASN A 73 3.844 8.586 11.441 1.00 60.50 H new ATOM 0 HA ASN A 73 3.466 8.558 13.629 1.00 41.55 H new ATOM 0 HB2 ASN A 73 5.800 6.635 13.597 1.00 52.43 H new ATOM 0 HB3 ASN A 73 4.853 6.975 15.031 1.00 52.43 H new ATOM 0 HD21 ASN A 73 3.458 4.036 12.942 1.00 22.41 H new ATOM 0 HD22 ASN A 73 5.109 4.460 13.408 1.00 22.41 H new ATOM 1081 N ASN A 74 5.451 10.609 13.394 1.00 64.30 N ATOM 1082 CA ASN A 74 6.122 11.852 13.822 1.00 21.55 C ATOM 1083 C ASN A 74 7.663 11.780 13.647 1.00 53.51 C ATOM 1084 O ASN A 74 8.390 12.752 13.875 1.00 20.24 O ATOM 1085 CB ASN A 74 5.677 12.322 15.247 1.00 5.13 C ATOM 1086 CG ASN A 74 6.235 13.687 15.663 1.00 40.11 C ATOM 1087 OD1 ASN A 74 5.662 14.724 15.344 1.00 60.35 O ATOM 1088 ND2 ASN A 74 7.301 13.694 16.421 1.00 12.10 N ATOM 0 H ASN A 74 5.080 10.683 12.447 1.00 64.30 H new ATOM 0 HA ASN A 74 5.784 12.636 13.145 1.00 21.55 H new ATOM 0 HB2 ASN A 74 4.588 12.362 15.280 1.00 5.13 H new ATOM 0 HB3 ASN A 74 5.991 11.576 15.977 1.00 5.13 H new ATOM 0 HD21 ASN A 74 7.677 14.578 16.764 1.00 12.10 H new ATOM 0 HD22 ASN A 74 7.756 12.816 16.670 1.00 12.10 H new ATOM 1095 N ALA A 75 8.151 10.652 13.188 1.00 73.33 N ATOM 1096 CA ALA A 75 9.572 10.489 12.950 1.00 75.15 C ATOM 1097 C ALA A 75 9.862 10.666 11.457 1.00 24.22 C ATOM 1098 O ALA A 75 9.228 10.015 10.635 1.00 34.33 O ATOM 1099 CB ALA A 75 10.033 9.114 13.421 1.00 62.33 C ATOM 0 H ALA A 75 7.587 9.830 12.971 1.00 73.33 H new ATOM 0 HA ALA A 75 10.120 11.245 13.513 1.00 75.15 H new ATOM 0 HB1 ALA A 75 11.102 9.006 13.236 1.00 62.33 H new ATOM 0 HB2 ALA A 75 9.837 9.010 14.488 1.00 62.33 H new ATOM 0 HB3 ALA A 75 9.490 8.342 12.876 1.00 62.33 H new ATOM 1105 N PRO A 76 10.758 11.586 11.068 1.00 72.15 N ATOM 1106 CA PRO A 76 11.112 11.766 9.670 1.00 60.21 C ATOM 1107 C PRO A 76 12.125 10.735 9.247 1.00 31.53 C ATOM 1108 O PRO A 76 13.205 10.619 9.851 1.00 13.21 O ATOM 1109 CB PRO A 76 11.751 13.167 9.615 1.00 65.25 C ATOM 1110 CG PRO A 76 11.702 13.695 11.015 1.00 4.44 C ATOM 1111 CD PRO A 76 11.488 12.515 11.923 1.00 24.22 C ATOM 0 HA PRO A 76 10.250 11.663 9.011 1.00 60.21 H new ATOM 0 HB2 PRO A 76 12.778 13.114 9.253 1.00 65.25 H new ATOM 0 HB3 PRO A 76 11.206 13.819 8.932 1.00 65.25 H new ATOM 0 HG2 PRO A 76 12.629 14.211 11.265 1.00 4.44 H new ATOM 0 HG3 PRO A 76 10.894 14.419 11.126 1.00 4.44 H new ATOM 0 HD2 PRO A 76 12.432 12.093 12.268 1.00 24.22 H new ATOM 0 HD3 PRO A 76 10.916 12.785 12.811 1.00 24.22 H new ATOM 1119 N VAL A 77 11.798 10.006 8.223 1.00 61.03 N ATOM 1120 CA VAL A 77 12.646 8.974 7.689 1.00 22.45 C ATOM 1121 C VAL A 77 12.390 8.901 6.214 1.00 11.13 C ATOM 1122 O VAL A 77 11.303 9.239 5.763 1.00 73.24 O ATOM 1123 CB VAL A 77 12.372 7.558 8.314 1.00 45.33 C ATOM 1124 CG1 VAL A 77 12.694 7.503 9.798 1.00 54.44 C ATOM 1125 CG2 VAL A 77 10.942 7.128 8.078 1.00 4.44 C ATOM 0 H VAL A 77 10.916 10.111 7.722 1.00 61.03 H new ATOM 0 HA VAL A 77 13.678 9.230 7.927 1.00 22.45 H new ATOM 0 HB VAL A 77 13.042 6.863 7.808 1.00 45.33 H new ATOM 0 HG11 VAL A 77 12.487 6.503 10.178 1.00 54.44 H new ATOM 0 HG12 VAL A 77 13.747 7.738 9.951 1.00 54.44 H new ATOM 0 HG13 VAL A 77 12.079 8.229 10.331 1.00 54.44 H new ATOM 0 HG21 VAL A 77 10.780 6.145 8.521 1.00 4.44 H new ATOM 0 HG22 VAL A 77 10.265 7.849 8.537 1.00 4.44 H new ATOM 0 HG23 VAL A 77 10.749 7.080 7.006 1.00 4.44 H new ATOM 1135 N GLN A 78 13.359 8.493 5.464 1.00 30.52 N ATOM 1136 CA GLN A 78 13.168 8.377 4.046 1.00 12.04 C ATOM 1137 C GLN A 78 12.817 6.941 3.647 1.00 21.05 C ATOM 1138 O GLN A 78 12.586 6.643 2.468 1.00 2.10 O ATOM 1139 CB GLN A 78 14.374 8.918 3.293 1.00 13.33 C ATOM 1140 CG GLN A 78 14.607 10.408 3.531 1.00 70.54 C ATOM 1141 CD GLN A 78 15.889 10.912 2.909 1.00 64.20 C ATOM 1142 OE1 GLN A 78 16.362 10.381 1.910 1.00 34.31 O ATOM 1143 NE2 GLN A 78 16.465 11.936 3.484 1.00 72.54 N ATOM 0 H GLN A 78 14.287 8.235 5.800 1.00 30.52 H new ATOM 0 HA GLN A 78 12.314 8.992 3.761 1.00 12.04 H new ATOM 0 HB2 GLN A 78 15.263 8.364 3.596 1.00 13.33 H new ATOM 0 HB3 GLN A 78 14.237 8.743 2.226 1.00 13.33 H new ATOM 0 HG2 GLN A 78 13.767 10.971 3.125 1.00 70.54 H new ATOM 0 HG3 GLN A 78 14.630 10.600 4.604 1.00 70.54 H new ATOM 0 HE21 GLN A 78 16.047 12.356 4.314 1.00 72.54 H new ATOM 0 HE22 GLN A 78 17.332 12.314 3.102 1.00 72.54 H new ATOM 1152 N GLU A 79 12.758 6.067 4.637 1.00 20.20 N ATOM 1153 CA GLU A 79 12.399 4.675 4.435 1.00 71.05 C ATOM 1154 C GLU A 79 11.654 4.140 5.661 1.00 60.50 C ATOM 1155 O GLU A 79 12.100 4.323 6.802 1.00 71.31 O ATOM 1156 CB GLU A 79 13.638 3.822 4.125 1.00 54.35 C ATOM 1157 CG GLU A 79 14.742 3.921 5.164 1.00 42.50 C ATOM 1158 CD GLU A 79 15.904 3.038 4.853 1.00 62.23 C ATOM 1159 OE1 GLU A 79 16.813 3.471 4.111 1.00 11.21 O ATOM 1160 OE2 GLU A 79 15.925 1.880 5.334 1.00 31.33 O ATOM 0 H GLU A 79 12.959 6.305 5.608 1.00 20.20 H new ATOM 0 HA GLU A 79 11.736 4.612 3.572 1.00 71.05 H new ATOM 0 HB2 GLU A 79 13.333 2.779 4.034 1.00 54.35 H new ATOM 0 HB3 GLU A 79 14.038 4.123 3.157 1.00 54.35 H new ATOM 0 HG2 GLU A 79 15.083 4.954 5.229 1.00 42.50 H new ATOM 0 HG3 GLU A 79 14.340 3.656 6.142 1.00 42.50 H new ATOM 1167 N TRP A 80 10.528 3.517 5.422 1.00 62.52 N ATOM 1168 CA TRP A 80 9.668 2.977 6.467 1.00 55.13 C ATOM 1169 C TRP A 80 8.776 1.938 5.832 1.00 43.14 C ATOM 1170 O TRP A 80 8.573 1.970 4.628 1.00 71.01 O ATOM 1171 CB TRP A 80 8.832 4.132 7.093 1.00 54.35 C ATOM 1172 CG TRP A 80 7.838 3.763 8.164 1.00 43.34 C ATOM 1173 CD1 TRP A 80 6.500 3.553 7.998 1.00 11.24 C ATOM 1174 CD2 TRP A 80 8.093 3.625 9.566 1.00 13.44 C ATOM 1175 NE1 TRP A 80 5.911 3.281 9.202 1.00 13.33 N ATOM 1176 CE2 TRP A 80 6.866 3.318 10.181 1.00 53.14 C ATOM 1177 CE3 TRP A 80 9.238 3.724 10.361 1.00 0.43 C ATOM 1178 CZ2 TRP A 80 6.750 3.116 11.549 1.00 23.20 C ATOM 1179 CZ3 TRP A 80 9.118 3.524 11.720 1.00 31.01 C ATOM 1180 CH2 TRP A 80 7.882 3.223 12.299 1.00 63.53 C ATOM 0 H TRP A 80 10.168 3.363 4.480 1.00 62.52 H new ATOM 0 HA TRP A 80 10.251 2.517 7.265 1.00 55.13 H new ATOM 0 HB2 TRP A 80 9.525 4.861 7.513 1.00 54.35 H new ATOM 0 HB3 TRP A 80 8.292 4.632 6.289 1.00 54.35 H new ATOM 0 HD1 TRP A 80 5.981 3.595 7.052 1.00 11.24 H new ATOM 0 HE1 TRP A 80 4.921 3.083 9.347 1.00 13.33 H new ATOM 0 HE3 TRP A 80 10.197 3.952 9.920 1.00 0.43 H new ATOM 0 HZ2 TRP A 80 5.798 2.883 12.002 1.00 23.20 H new ATOM 0 HZ3 TRP A 80 9.994 3.601 12.347 1.00 31.01 H new ATOM 0 HH2 TRP A 80 7.823 3.072 13.367 1.00 63.53 H new ATOM 1191 N GLN A 81 8.328 0.976 6.578 1.00 42.44 N ATOM 1192 CA GLN A 81 7.368 0.061 6.030 1.00 22.42 C ATOM 1193 C GLN A 81 6.037 0.333 6.681 1.00 73.44 C ATOM 1194 O GLN A 81 5.945 0.391 7.899 1.00 35.20 O ATOM 1195 CB GLN A 81 7.831 -1.429 6.066 1.00 14.14 C ATOM 1196 CG GLN A 81 7.989 -2.102 7.426 1.00 54.13 C ATOM 1197 CD GLN A 81 6.745 -2.857 7.884 1.00 43.35 C ATOM 1198 OE1 GLN A 81 6.573 -4.029 7.560 1.00 52.41 O ATOM 1199 NE2 GLN A 81 5.894 -2.224 8.632 1.00 20.00 N ATOM 0 H GLN A 81 8.601 0.803 7.545 1.00 42.44 H new ATOM 0 HA GLN A 81 7.263 0.236 4.959 1.00 22.42 H new ATOM 0 HB2 GLN A 81 7.117 -2.014 5.486 1.00 14.14 H new ATOM 0 HB3 GLN A 81 8.789 -1.493 5.550 1.00 14.14 H new ATOM 0 HG2 GLN A 81 8.829 -2.795 7.383 1.00 54.13 H new ATOM 0 HG3 GLN A 81 8.238 -1.345 8.170 1.00 54.13 H new ATOM 0 HE21 GLN A 81 6.063 -1.251 8.885 1.00 20.00 H new ATOM 0 HE22 GLN A 81 5.056 -2.700 8.967 1.00 20.00 H new ATOM 1208 N LEU A 82 5.049 0.590 5.871 1.00 62.13 N ATOM 1209 CA LEU A 82 3.721 0.998 6.334 1.00 32.20 C ATOM 1210 C LEU A 82 3.009 -0.090 7.132 1.00 13.45 C ATOM 1211 O LEU A 82 3.088 -1.280 6.791 1.00 51.10 O ATOM 1212 CB LEU A 82 2.846 1.371 5.141 1.00 2.45 C ATOM 1213 CG LEU A 82 3.390 2.432 4.198 1.00 71.43 C ATOM 1214 CD1 LEU A 82 2.410 2.693 3.067 1.00 43.55 C ATOM 1215 CD2 LEU A 82 3.685 3.703 4.952 1.00 71.30 C ATOM 0 H LEU A 82 5.128 0.526 4.856 1.00 62.13 H new ATOM 0 HA LEU A 82 3.874 1.853 6.992 1.00 32.20 H new ATOM 0 HB2 LEU A 82 2.657 0.467 4.562 1.00 2.45 H new ATOM 0 HB3 LEU A 82 1.883 1.714 5.520 1.00 2.45 H new ATOM 0 HG LEU A 82 4.321 2.066 3.764 1.00 71.43 H new ATOM 0 HD11 LEU A 82 2.816 3.455 2.402 1.00 43.55 H new ATOM 0 HD12 LEU A 82 2.247 1.772 2.507 1.00 43.55 H new ATOM 0 HD13 LEU A 82 1.462 3.039 3.479 1.00 43.55 H new ATOM 0 HD21 LEU A 82 4.074 4.453 4.263 1.00 71.30 H new ATOM 0 HD22 LEU A 82 2.769 4.074 5.413 1.00 71.30 H new ATOM 0 HD23 LEU A 82 4.426 3.503 5.726 1.00 71.30 H new ATOM 1227 N ALA A 83 2.345 0.321 8.191 1.00 15.21 N ATOM 1228 CA ALA A 83 1.510 -0.550 8.982 1.00 41.55 C ATOM 1229 C ALA A 83 0.199 0.165 9.294 1.00 63.33 C ATOM 1230 O ALA A 83 0.078 1.378 9.071 1.00 44.34 O ATOM 1231 CB ALA A 83 2.213 -0.970 10.260 1.00 73.34 C ATOM 0 H ALA A 83 2.372 1.283 8.529 1.00 15.21 H new ATOM 0 HA ALA A 83 1.302 -1.457 8.414 1.00 41.55 H new ATOM 0 HB1 ALA A 83 1.560 -1.626 10.836 1.00 73.34 H new ATOM 0 HB2 ALA A 83 3.133 -1.500 10.012 1.00 73.34 H new ATOM 0 HB3 ALA A 83 2.452 -0.086 10.851 1.00 73.34 H new ATOM 1237 N ASP A 84 -0.769 -0.565 9.806 1.00 0.13 N ATOM 1238 CA ASP A 84 -2.083 -0.004 10.114 1.00 35.33 C ATOM 1239 C ASP A 84 -1.990 0.886 11.329 1.00 61.23 C ATOM 1240 O ASP A 84 -1.546 0.452 12.391 1.00 1.44 O ATOM 1241 CB ASP A 84 -3.115 -1.119 10.362 1.00 71.42 C ATOM 1242 CG ASP A 84 -4.522 -0.600 10.633 1.00 23.35 C ATOM 1243 OD1 ASP A 84 -5.246 -0.274 9.671 1.00 45.11 O ATOM 1244 OD2 ASP A 84 -4.952 -0.545 11.806 1.00 73.53 O ATOM 0 H ASP A 84 -0.677 -1.558 10.022 1.00 0.13 H new ATOM 0 HA ASP A 84 -2.412 0.584 9.257 1.00 35.33 H new ATOM 0 HB2 ASP A 84 -3.141 -1.778 9.494 1.00 71.42 H new ATOM 0 HB3 ASP A 84 -2.790 -1.721 11.210 1.00 71.42 H new ATOM 1249 N GLY A 85 -2.348 2.127 11.163 1.00 32.04 N ATOM 1250 CA GLY A 85 -2.342 3.048 12.261 1.00 32.12 C ATOM 1251 C GLY A 85 -1.148 3.968 12.242 1.00 53.50 C ATOM 1252 O GLY A 85 -0.897 4.680 13.221 1.00 24.13 O ATOM 0 H GLY A 85 -2.649 2.525 10.273 1.00 32.04 H new ATOM 0 HA2 GLY A 85 -3.255 3.643 12.236 1.00 32.12 H new ATOM 0 HA3 GLY A 85 -2.351 2.491 13.198 1.00 32.12 H new ATOM 1256 N ASP A 86 -0.396 3.955 11.153 1.00 40.31 N ATOM 1257 CA ASP A 86 0.743 4.850 11.046 1.00 70.43 C ATOM 1258 C ASP A 86 0.279 6.230 10.696 1.00 41.45 C ATOM 1259 O ASP A 86 -0.477 6.421 9.722 1.00 12.22 O ATOM 1260 CB ASP A 86 1.804 4.371 10.040 1.00 54.51 C ATOM 1261 CG ASP A 86 2.608 3.186 10.524 1.00 2.52 C ATOM 1262 OD1 ASP A 86 2.587 2.879 11.743 1.00 24.50 O ATOM 1263 OD2 ASP A 86 3.292 2.541 9.696 1.00 25.41 O ATOM 0 H ASP A 86 -0.549 3.349 10.347 1.00 40.31 H new ATOM 0 HA ASP A 86 1.228 4.857 12.022 1.00 70.43 H new ATOM 0 HB2 ASP A 86 1.312 4.107 9.104 1.00 54.51 H new ATOM 0 HB3 ASP A 86 2.483 5.195 9.822 1.00 54.51 H new ATOM 1268 N VAL A 87 0.689 7.182 11.495 1.00 25.04 N ATOM 1269 CA VAL A 87 0.316 8.559 11.288 1.00 75.23 C ATOM 1270 C VAL A 87 1.405 9.197 10.479 1.00 5.13 C ATOM 1271 O VAL A 87 2.506 9.378 10.953 1.00 30.40 O ATOM 1272 CB VAL A 87 0.165 9.314 12.633 1.00 15.24 C ATOM 1273 CG1 VAL A 87 -0.419 10.694 12.407 1.00 31.32 C ATOM 1274 CG2 VAL A 87 -0.690 8.521 13.610 1.00 51.41 C ATOM 0 H VAL A 87 1.289 7.026 12.305 1.00 25.04 H new ATOM 0 HA VAL A 87 -0.646 8.605 10.777 1.00 75.23 H new ATOM 0 HB VAL A 87 1.157 9.428 13.070 1.00 15.24 H new ATOM 0 HG11 VAL A 87 -0.517 11.208 13.363 1.00 31.32 H new ATOM 0 HG12 VAL A 87 0.240 11.265 11.754 1.00 31.32 H new ATOM 0 HG13 VAL A 87 -1.400 10.602 11.942 1.00 31.32 H new ATOM 0 HG21 VAL A 87 -0.780 9.073 14.546 1.00 51.41 H new ATOM 0 HG22 VAL A 87 -1.681 8.366 13.183 1.00 51.41 H new ATOM 0 HG23 VAL A 87 -0.222 7.555 13.802 1.00 51.41 H new ATOM 1284 N ILE A 88 1.111 9.551 9.284 1.00 75.22 N ATOM 1285 CA ILE A 88 2.130 10.012 8.399 1.00 31.03 C ATOM 1286 C ILE A 88 1.843 11.448 7.935 1.00 20.14 C ATOM 1287 O ILE A 88 0.694 11.820 7.714 1.00 63.40 O ATOM 1288 CB ILE A 88 2.225 9.036 7.192 1.00 51.24 C ATOM 1289 CG1 ILE A 88 2.532 7.612 7.696 1.00 13.40 C ATOM 1290 CG2 ILE A 88 3.265 9.487 6.185 1.00 32.42 C ATOM 1291 CD1 ILE A 88 2.667 6.575 6.608 1.00 4.03 C ATOM 0 H ILE A 88 0.171 9.533 8.888 1.00 75.22 H new ATOM 0 HA ILE A 88 3.087 10.030 8.920 1.00 31.03 H new ATOM 0 HB ILE A 88 1.263 9.035 6.679 1.00 51.24 H new ATOM 0 HG12 ILE A 88 3.457 7.637 8.273 1.00 13.40 H new ATOM 0 HG13 ILE A 88 1.739 7.303 8.377 1.00 13.40 H new ATOM 0 HG21 ILE A 88 3.301 8.779 5.357 1.00 32.42 H new ATOM 0 HG22 ILE A 88 3.001 10.475 5.807 1.00 32.42 H new ATOM 0 HG23 ILE A 88 4.242 9.532 6.666 1.00 32.42 H new ATOM 0 HD11 ILE A 88 2.883 5.605 7.055 1.00 4.03 H new ATOM 0 HD12 ILE A 88 1.736 6.516 6.044 1.00 4.03 H new ATOM 0 HD13 ILE A 88 3.480 6.854 5.938 1.00 4.03 H new ATOM 1303 N ARG A 89 2.872 12.263 7.865 1.00 14.32 N ATOM 1304 CA ARG A 89 2.756 13.632 7.379 1.00 45.22 C ATOM 1305 C ARG A 89 3.655 13.782 6.184 1.00 5.44 C ATOM 1306 O ARG A 89 4.826 13.419 6.243 1.00 14.12 O ATOM 1307 CB ARG A 89 3.155 14.694 8.426 1.00 45.03 C ATOM 1308 CG ARG A 89 2.233 14.892 9.631 1.00 12.11 C ATOM 1309 CD ARG A 89 2.114 13.662 10.517 1.00 74.45 C ATOM 1310 NE ARG A 89 1.432 13.968 11.773 1.00 11.51 N ATOM 1311 CZ ARG A 89 0.112 14.073 11.958 1.00 5.01 C ATOM 1312 NH1 ARG A 89 -0.731 13.845 10.952 1.00 54.03 N ATOM 1313 NH2 ARG A 89 -0.353 14.378 13.166 1.00 31.45 N ATOM 0 H ARG A 89 3.818 12.000 8.143 1.00 14.32 H new ATOM 0 HA ARG A 89 1.707 13.802 7.136 1.00 45.22 H new ATOM 0 HB2 ARG A 89 4.146 14.438 8.801 1.00 45.03 H new ATOM 0 HB3 ARG A 89 3.246 15.652 7.913 1.00 45.03 H new ATOM 0 HG2 ARG A 89 2.604 15.725 10.228 1.00 12.11 H new ATOM 0 HG3 ARG A 89 1.241 15.171 9.276 1.00 12.11 H new ATOM 0 HD2 ARG A 89 1.568 12.882 9.986 1.00 74.45 H new ATOM 0 HD3 ARG A 89 3.108 13.268 10.729 1.00 74.45 H new ATOM 0 HE ARG A 89 2.023 14.116 12.591 1.00 11.51 H new ATOM 0 HH11 ARG A 89 -0.371 13.588 10.033 1.00 54.03 H new ATOM 0 HH12 ARG A 89 -1.737 13.927 11.101 1.00 54.03 H new ATOM 0 HH21 ARG A 89 0.295 14.529 13.939 1.00 31.45 H new ATOM 0 HH22 ARG A 89 -1.358 14.461 13.320 1.00 31.45 H new ATOM 1327 N LEU A 90 3.134 14.327 5.137 1.00 25.42 N ATOM 1328 CA LEU A 90 3.859 14.480 3.893 1.00 23.41 C ATOM 1329 C LEU A 90 3.686 15.894 3.416 1.00 44.44 C ATOM 1330 O LEU A 90 2.846 16.586 3.947 1.00 63.24 O ATOM 1331 CB LEU A 90 3.451 13.444 2.799 1.00 74.15 C ATOM 1332 CG LEU A 90 2.033 13.510 2.187 1.00 32.52 C ATOM 1333 CD1 LEU A 90 1.942 12.536 1.025 1.00 44.02 C ATOM 1334 CD2 LEU A 90 0.957 13.169 3.208 1.00 10.24 C ATOM 0 H LEU A 90 2.180 14.688 5.107 1.00 25.42 H new ATOM 0 HA LEU A 90 4.912 14.274 4.084 1.00 23.41 H new ATOM 0 HB2 LEU A 90 4.166 13.533 1.981 1.00 74.15 H new ATOM 0 HB3 LEU A 90 3.578 12.449 3.226 1.00 74.15 H new ATOM 0 HG LEU A 90 1.864 14.532 1.847 1.00 32.52 H new ATOM 0 HD11 LEU A 90 0.943 12.580 0.591 1.00 44.02 H new ATOM 0 HD12 LEU A 90 2.679 12.803 0.268 1.00 44.02 H new ATOM 0 HD13 LEU A 90 2.139 11.525 1.382 1.00 44.02 H new ATOM 0 HD21 LEU A 90 -0.024 13.227 2.736 1.00 10.24 H new ATOM 0 HD22 LEU A 90 1.119 12.159 3.584 1.00 10.24 H new ATOM 0 HD23 LEU A 90 1.004 13.876 4.036 1.00 10.24 H new ATOM 1346 N GLY A 91 4.518 16.320 2.474 1.00 4.11 N ATOM 1347 CA GLY A 91 4.526 17.700 1.949 1.00 65.42 C ATOM 1348 C GLY A 91 3.158 18.405 1.882 1.00 4.44 C ATOM 1349 O GLY A 91 2.381 18.193 0.948 1.00 24.12 O ATOM 0 H GLY A 91 5.218 15.718 2.041 1.00 4.11 H new ATOM 0 HA2 GLY A 91 5.192 18.300 2.570 1.00 65.42 H new ATOM 0 HA3 GLY A 91 4.954 17.684 0.946 1.00 65.42 H new ATOM 1353 N HIS A 92 2.887 19.212 2.923 1.00 33.44 N ATOM 1354 CA HIS A 92 1.677 20.057 3.071 1.00 21.22 C ATOM 1355 C HIS A 92 0.384 19.284 3.369 1.00 5.53 C ATOM 1356 O HIS A 92 -0.704 19.863 3.313 1.00 54.22 O ATOM 1357 CB HIS A 92 1.468 21.011 1.874 1.00 0.22 C ATOM 1358 CG HIS A 92 2.547 22.037 1.708 1.00 50.44 C ATOM 1359 ND1 HIS A 92 3.104 22.377 0.499 1.00 35.52 N ATOM 1360 CD2 HIS A 92 3.147 22.830 2.625 1.00 1.34 C ATOM 1361 CE1 HIS A 92 3.999 23.329 0.704 1.00 72.45 C ATOM 1362 NE2 HIS A 92 4.068 23.648 1.980 1.00 1.43 N ATOM 0 H HIS A 92 3.524 19.301 3.715 1.00 33.44 H new ATOM 0 HA HIS A 92 1.888 20.652 3.960 1.00 21.22 H new ATOM 0 HB2 HIS A 92 1.401 20.420 0.961 1.00 0.22 H new ATOM 0 HB3 HIS A 92 0.512 21.522 1.994 1.00 0.22 H new ATOM 0 HD1 HIS A 92 2.867 21.965 -0.404 1.00 35.52 H new ATOM 0 HD2 HIS A 92 2.944 22.828 3.686 1.00 1.34 H new ATOM 0 HE1 HIS A 92 4.595 23.785 -0.073 1.00 72.45 H new ATOM 1370 N SER A 93 0.483 18.026 3.741 1.00 52.51 N ATOM 1371 CA SER A 93 -0.705 17.242 4.029 1.00 71.32 C ATOM 1372 C SER A 93 -0.368 16.110 5.026 1.00 0.31 C ATOM 1373 O SER A 93 0.760 15.991 5.500 1.00 4.04 O ATOM 1374 CB SER A 93 -1.283 16.681 2.697 1.00 4.14 C ATOM 1375 OG SER A 93 -2.537 16.006 2.876 1.00 14.11 O ATOM 0 H SER A 93 1.365 17.525 3.851 1.00 52.51 H new ATOM 0 HA SER A 93 -1.463 17.872 4.495 1.00 71.32 H new ATOM 0 HB2 SER A 93 -1.414 17.500 1.990 1.00 4.14 H new ATOM 0 HB3 SER A 93 -0.564 15.991 2.256 1.00 4.14 H new ATOM 0 HG SER A 93 -3.188 16.348 2.228 1.00 14.11 H new ATOM 1381 N GLU A 94 -1.339 15.300 5.351 1.00 21.20 N ATOM 1382 CA GLU A 94 -1.134 14.176 6.217 1.00 31.41 C ATOM 1383 C GLU A 94 -1.938 12.999 5.713 1.00 15.34 C ATOM 1384 O GLU A 94 -2.953 13.187 5.026 1.00 35.31 O ATOM 1385 CB GLU A 94 -1.432 14.520 7.681 1.00 15.51 C ATOM 1386 CG GLU A 94 -2.821 15.062 7.963 1.00 11.51 C ATOM 1387 CD GLU A 94 -2.967 15.451 9.407 1.00 25.31 C ATOM 1388 OE1 GLU A 94 -3.305 14.591 10.244 1.00 72.44 O ATOM 1389 OE2 GLU A 94 -2.701 16.625 9.756 1.00 1.12 O ATOM 0 H GLU A 94 -2.298 15.404 5.020 1.00 21.20 H new ATOM 0 HA GLU A 94 -0.080 13.897 6.196 1.00 31.41 H new ATOM 0 HB2 GLU A 94 -1.284 13.623 8.283 1.00 15.51 H new ATOM 0 HB3 GLU A 94 -0.701 15.255 8.018 1.00 15.51 H new ATOM 0 HG2 GLU A 94 -3.013 15.928 7.329 1.00 11.51 H new ATOM 0 HG3 GLU A 94 -3.567 14.309 7.709 1.00 11.51 H new ATOM 1396 N ILE A 95 -1.483 11.816 6.013 1.00 1.15 N ATOM 1397 CA ILE A 95 -2.091 10.617 5.518 1.00 42.35 C ATOM 1398 C ILE A 95 -2.070 9.553 6.634 1.00 35.24 C ATOM 1399 O ILE A 95 -1.122 9.492 7.425 1.00 22.25 O ATOM 1400 CB ILE A 95 -1.322 10.111 4.230 1.00 4.24 C ATOM 1401 CG1 ILE A 95 -2.089 9.033 3.498 1.00 72.44 C ATOM 1402 CG2 ILE A 95 0.082 9.635 4.528 1.00 60.25 C ATOM 1403 CD1 ILE A 95 -3.282 9.568 2.776 1.00 5.24 C ATOM 0 H ILE A 95 -0.673 11.657 6.613 1.00 1.15 H new ATOM 0 HA ILE A 95 -3.125 10.810 5.232 1.00 42.35 H new ATOM 0 HB ILE A 95 -1.242 10.983 3.581 1.00 4.24 H new ATOM 0 HG12 ILE A 95 -1.427 8.542 2.785 1.00 72.44 H new ATOM 0 HG13 ILE A 95 -2.410 8.273 4.210 1.00 72.44 H new ATOM 0 HG21 ILE A 95 0.557 9.301 3.605 1.00 60.25 H new ATOM 0 HG22 ILE A 95 0.660 10.453 4.958 1.00 60.25 H new ATOM 0 HG23 ILE A 95 0.043 8.807 5.236 1.00 60.25 H new ATOM 0 HD11 ILE A 95 -3.796 8.752 2.268 1.00 5.24 H new ATOM 0 HD12 ILE A 95 -3.960 10.035 3.490 1.00 5.24 H new ATOM 0 HD13 ILE A 95 -2.962 10.308 2.042 1.00 5.24 H new ATOM 1415 N ILE A 96 -3.121 8.783 6.744 1.00 4.34 N ATOM 1416 CA ILE A 96 -3.189 7.729 7.735 1.00 4.13 C ATOM 1417 C ILE A 96 -3.263 6.395 7.014 1.00 31.21 C ATOM 1418 O ILE A 96 -4.119 6.200 6.157 1.00 65.41 O ATOM 1419 CB ILE A 96 -4.429 7.894 8.662 1.00 0.42 C ATOM 1420 CG1 ILE A 96 -4.410 9.278 9.335 1.00 2.25 C ATOM 1421 CG2 ILE A 96 -4.459 6.784 9.722 1.00 21.32 C ATOM 1422 CD1 ILE A 96 -5.623 9.571 10.195 1.00 54.22 C ATOM 0 H ILE A 96 -3.951 8.864 6.156 1.00 4.34 H new ATOM 0 HA ILE A 96 -2.300 7.779 8.363 1.00 4.13 H new ATOM 0 HB ILE A 96 -5.330 7.814 8.054 1.00 0.42 H new ATOM 0 HG12 ILE A 96 -3.515 9.357 9.952 1.00 2.25 H new ATOM 0 HG13 ILE A 96 -4.333 10.043 8.563 1.00 2.25 H new ATOM 0 HG21 ILE A 96 -5.332 6.915 10.361 1.00 21.32 H new ATOM 0 HG22 ILE A 96 -4.511 5.813 9.230 1.00 21.32 H new ATOM 0 HG23 ILE A 96 -3.555 6.835 10.328 1.00 21.32 H new ATOM 0 HD11 ILE A 96 -5.528 10.566 10.631 1.00 54.22 H new ATOM 0 HD12 ILE A 96 -6.523 9.528 9.582 1.00 54.22 H new ATOM 0 HD13 ILE A 96 -5.691 8.831 10.992 1.00 54.22 H new ATOM 1434 N VAL A 97 -2.373 5.497 7.334 1.00 1.52 N ATOM 1435 CA VAL A 97 -2.332 4.216 6.670 1.00 43.23 C ATOM 1436 C VAL A 97 -3.127 3.170 7.413 1.00 33.42 C ATOM 1437 O VAL A 97 -2.970 2.999 8.625 1.00 32.22 O ATOM 1438 CB VAL A 97 -0.883 3.730 6.477 1.00 62.15 C ATOM 1439 CG1 VAL A 97 -0.862 2.308 5.947 1.00 62.44 C ATOM 1440 CG2 VAL A 97 -0.174 4.643 5.505 1.00 11.13 C ATOM 0 H VAL A 97 -1.662 5.626 8.053 1.00 1.52 H new ATOM 0 HA VAL A 97 -2.789 4.359 5.691 1.00 43.23 H new ATOM 0 HB VAL A 97 -0.375 3.749 7.441 1.00 62.15 H new ATOM 0 HG11 VAL A 97 0.170 1.983 5.817 1.00 62.44 H new ATOM 0 HG12 VAL A 97 -1.364 1.648 6.655 1.00 62.44 H new ATOM 0 HG13 VAL A 97 -1.377 2.270 4.987 1.00 62.44 H new ATOM 0 HG21 VAL A 97 0.852 4.301 5.367 1.00 11.13 H new ATOM 0 HG22 VAL A 97 -0.694 4.628 4.547 1.00 11.13 H new ATOM 0 HG23 VAL A 97 -0.168 5.659 5.899 1.00 11.13 H new ATOM 1450 N ARG A 98 -3.999 2.502 6.698 1.00 14.21 N ATOM 1451 CA ARG A 98 -4.757 1.421 7.230 1.00 72.02 C ATOM 1452 C ARG A 98 -4.434 0.172 6.450 1.00 23.03 C ATOM 1453 O ARG A 98 -4.077 0.240 5.276 1.00 3.03 O ATOM 1454 CB ARG A 98 -6.255 1.689 7.150 1.00 23.13 C ATOM 1455 CG ARG A 98 -6.709 2.993 7.769 1.00 45.35 C ATOM 1456 CD ARG A 98 -6.183 3.217 9.188 1.00 72.13 C ATOM 1457 NE ARG A 98 -6.440 2.105 10.103 1.00 3.24 N ATOM 1458 CZ ARG A 98 -7.122 2.198 11.243 1.00 44.00 C ATOM 1459 NH1 ARG A 98 -7.882 3.261 11.488 1.00 32.23 N ATOM 1460 NH2 ARG A 98 -7.062 1.214 12.129 1.00 30.01 N ATOM 0 H ARG A 98 -4.197 2.705 5.718 1.00 14.21 H new ATOM 0 HA ARG A 98 -4.494 1.302 8.281 1.00 72.02 H new ATOM 0 HB2 ARG A 98 -6.554 1.679 6.102 1.00 23.13 H new ATOM 0 HB3 ARG A 98 -6.781 0.870 7.640 1.00 23.13 H new ATOM 0 HG2 ARG A 98 -6.383 3.818 7.136 1.00 45.35 H new ATOM 0 HG3 ARG A 98 -7.799 3.016 7.787 1.00 45.35 H new ATOM 0 HD2 ARG A 98 -5.109 3.394 9.142 1.00 72.13 H new ATOM 0 HD3 ARG A 98 -6.638 4.120 9.594 1.00 72.13 H new ATOM 0 HE ARG A 98 -6.069 1.190 9.849 1.00 3.24 H new ATOM 0 HH11 ARG A 98 -7.945 4.012 10.801 1.00 32.23 H new ATOM 0 HH12 ARG A 98 -8.402 3.326 12.363 1.00 32.23 H new ATOM 0 HH21 ARG A 98 -6.495 0.388 11.937 1.00 30.01 H new ATOM 0 HH22 ARG A 98 -7.583 1.282 13.003 1.00 30.01 H new ATOM 1474 N MET A 99 -4.543 -0.944 7.087 1.00 72.53 N ATOM 1475 CA MET A 99 -4.272 -2.226 6.444 1.00 73.33 C ATOM 1476 C MET A 99 -5.423 -3.168 6.656 1.00 15.52 C ATOM 1477 O MET A 99 -5.784 -3.471 7.788 1.00 31.24 O ATOM 1478 CB MET A 99 -2.970 -2.880 6.932 1.00 65.31 C ATOM 1479 CG MET A 99 -1.709 -2.081 6.641 1.00 35.45 C ATOM 1480 SD MET A 99 -0.196 -2.930 7.167 1.00 70.32 S ATOM 1481 CE MET A 99 -0.179 -4.356 6.075 1.00 1.41 C ATOM 0 H MET A 99 -4.820 -1.015 8.066 1.00 72.53 H new ATOM 0 HA MET A 99 -4.149 -2.020 5.381 1.00 73.33 H new ATOM 0 HB2 MET A 99 -3.041 -3.041 8.008 1.00 65.31 H new ATOM 0 HB3 MET A 99 -2.877 -3.862 6.468 1.00 65.31 H new ATOM 0 HG2 MET A 99 -1.652 -1.879 5.571 1.00 35.45 H new ATOM 0 HG3 MET A 99 -1.772 -1.117 7.145 1.00 35.45 H new ATOM 0 HE1 MET A 99 0.822 -4.786 6.053 1.00 1.41 H new ATOM 0 HE2 MET A 99 -0.886 -5.101 6.439 1.00 1.41 H new ATOM 0 HE3 MET A 99 -0.463 -4.047 5.069 1.00 1.41 H new ATOM 1491 N HIS A 100 -6.000 -3.593 5.579 1.00 11.15 N ATOM 1492 CA HIS A 100 -7.123 -4.497 5.590 1.00 10.34 C ATOM 1493 C HIS A 100 -6.659 -5.837 5.072 1.00 64.43 C ATOM 1494 O HIS A 100 -6.368 -6.730 5.872 1.00 72.11 O ATOM 1495 CB HIS A 100 -8.257 -3.967 4.688 1.00 35.14 C ATOM 1496 CG HIS A 100 -8.841 -2.643 5.099 1.00 33.55 C ATOM 1497 ND1 HIS A 100 -10.167 -2.455 5.378 1.00 43.43 N ATOM 1498 CD2 HIS A 100 -8.260 -1.420 5.221 1.00 72.14 C ATOM 1499 CE1 HIS A 100 -10.359 -1.170 5.649 1.00 63.33 C ATOM 1500 NE2 HIS A 100 -9.228 -0.488 5.571 1.00 43.43 N ATOM 1501 OXT HIS A 100 -6.532 -5.981 3.850 1.00 38.98 O ATOM 0 H HIS A 100 -5.703 -3.320 4.642 1.00 11.15 H new ATOM 0 HA HIS A 100 -7.505 -4.587 6.607 1.00 10.34 H new ATOM 0 HB2 HIS A 100 -7.877 -3.878 3.670 1.00 35.14 H new ATOM 0 HB3 HIS A 100 -9.057 -4.707 4.666 1.00 35.14 H new ATOM 0 HD2 HIS A 100 -7.212 -1.207 5.070 1.00 72.14 H new ATOM 0 HE1 HIS A 100 -11.316 -0.737 5.901 1.00 63.33 H new ATOM 0 HE2 HIS A 100 -9.095 0.510 5.733 1.00 43.43 H new