USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=17 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 92 HIS : no HD1:sc= -0.0767 X(o=-0.29,f=-0.58) USER MOD Set 1.2: A 93 SER OG : rot -140:sc= -0.211 USER MOD Set 2.1: A 46 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 49 HIS : no HD1:sc= 0.559 K(o=-0.77,f=-13) USER MOD Set 2.3: A 65 ASN : amide:sc= -1.73! C(o=-0.77!,f=-6.5!) USER MOD Set 2.4: A 68 ASN :FLIP amide:sc= -0.846 F(o=-2.4!,f=-0.77) USER MOD Set 2.5: A 70 THR OG1 : rot 85:sc= 1.24 USER MOD Set 3.1: A 10 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 100 HIS : no HD1:sc=-0.00736 X(o=-0.0074,f=0.00064) USER MOD Single : A 7 THR OG1 : rot 32:sc= 0.0712 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.329 K(o=-0.33,f=-0.98) USER MOD Single : A 17 SER OG : rot 97:sc= 1.07 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0.661 USER MOD Single : A 22 GLN : amide:sc= -0.232 K(o=-0.23,f=-1) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0.187 X(o=0.19,f=0) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 37 GLN : amide:sc= -0.0154 X(o=-0.015,f=-0.015) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc=-0.00312 X(o=-0.0031,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -25:sc= 0.0902 USER MOD Single : A 71 THR OG1 : rot -10:sc= 0.0838 USER MOD Single : A 73 ASN :FLIP amide:sc= 0 F(o=-0.84,f=0) USER MOD Single : A 74 ASN : amide:sc= -0.129 X(o=-0.13,f=-0.13) USER MOD Single : A 78 GLN : amide:sc= -0.0988! C(o=-0.099!,f=-3.9!) USER MOD Single : A 81 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 99 MET CE :methyl -175:sc= 0 (180deg=-0.0542) USER MOD ----------------------------------------------------------------- ATOM 62 N THR A 7 -4.440 -9.232 2.454 1.00 72.35 N ATOM 63 CA THR A 7 -3.991 -7.989 2.968 1.00 4.14 C ATOM 64 C THR A 7 -4.266 -6.908 1.920 1.00 73.32 C ATOM 65 O THR A 7 -3.731 -6.945 0.814 1.00 64.20 O ATOM 66 CB THR A 7 -2.476 -8.046 3.300 1.00 1.23 C ATOM 67 OG1 THR A 7 -2.242 -9.078 4.283 1.00 33.34 O ATOM 68 CG2 THR A 7 -1.977 -6.708 3.842 1.00 74.14 C ATOM 0 HA THR A 7 -4.523 -7.760 3.891 1.00 4.14 H new ATOM 0 HB THR A 7 -1.931 -8.267 2.382 1.00 1.23 H new ATOM 0 HG1 THR A 7 -2.890 -9.802 4.158 1.00 33.34 H new ATOM 0 HG21 THR A 7 -0.913 -6.780 4.065 1.00 74.14 H new ATOM 0 HG22 THR A 7 -2.140 -5.930 3.096 1.00 74.14 H new ATOM 0 HG23 THR A 7 -2.522 -6.458 4.752 1.00 74.14 H new ATOM 76 N SER A 8 -5.128 -5.995 2.253 1.00 25.42 N ATOM 77 CA SER A 8 -5.420 -4.877 1.417 1.00 63.14 C ATOM 78 C SER A 8 -5.058 -3.621 2.179 1.00 23.43 C ATOM 79 O SER A 8 -5.635 -3.326 3.226 1.00 3.31 O ATOM 80 CB SER A 8 -6.904 -4.860 1.038 1.00 13.42 C ATOM 81 OG SER A 8 -7.287 -6.063 0.372 1.00 34.13 O ATOM 0 H SER A 8 -5.654 -6.009 3.127 1.00 25.42 H new ATOM 0 HA SER A 8 -4.845 -4.940 0.493 1.00 63.14 H new ATOM 0 HB2 SER A 8 -7.509 -4.732 1.936 1.00 13.42 H new ATOM 0 HB3 SER A 8 -7.106 -4.005 0.393 1.00 13.42 H new ATOM 0 HG SER A 8 -8.239 -6.022 0.145 1.00 34.13 H new ATOM 87 N VAL A 9 -4.101 -2.907 1.692 1.00 21.40 N ATOM 88 CA VAL A 9 -3.667 -1.725 2.365 1.00 32.32 C ATOM 89 C VAL A 9 -4.407 -0.523 1.794 1.00 63.10 C ATOM 90 O VAL A 9 -4.494 -0.338 0.578 1.00 12.35 O ATOM 91 CB VAL A 9 -2.115 -1.570 2.332 1.00 74.20 C ATOM 92 CG1 VAL A 9 -1.590 -1.607 0.928 1.00 63.40 C ATOM 93 CG2 VAL A 9 -1.660 -0.305 3.044 1.00 4.33 C ATOM 0 H VAL A 9 -3.602 -3.120 0.828 1.00 21.40 H new ATOM 0 HA VAL A 9 -3.917 -1.799 3.423 1.00 32.32 H new ATOM 0 HB VAL A 9 -1.699 -2.422 2.870 1.00 74.20 H new ATOM 0 HG11 VAL A 9 -0.506 -1.496 0.942 1.00 63.40 H new ATOM 0 HG12 VAL A 9 -1.852 -2.559 0.467 1.00 63.40 H new ATOM 0 HG13 VAL A 9 -2.030 -0.792 0.353 1.00 63.40 H new ATOM 0 HG21 VAL A 9 -0.573 -0.233 2.999 1.00 4.33 H new ATOM 0 HG22 VAL A 9 -2.102 0.565 2.558 1.00 4.33 H new ATOM 0 HG23 VAL A 9 -1.979 -0.339 4.086 1.00 4.33 H new ATOM 103 N THR A 10 -4.989 0.228 2.659 1.00 32.34 N ATOM 104 CA THR A 10 -5.809 1.328 2.290 1.00 15.54 C ATOM 105 C THR A 10 -5.308 2.574 2.983 1.00 42.45 C ATOM 106 O THR A 10 -5.019 2.555 4.173 1.00 22.21 O ATOM 107 CB THR A 10 -7.268 1.032 2.695 1.00 0.01 C ATOM 108 OG1 THR A 10 -7.645 -0.235 2.133 1.00 55.24 O ATOM 109 CG2 THR A 10 -8.215 2.106 2.185 1.00 1.32 C ATOM 0 H THR A 10 -4.907 0.093 3.667 1.00 32.34 H new ATOM 0 HA THR A 10 -5.768 1.484 1.212 1.00 15.54 H new ATOM 0 HB THR A 10 -7.334 1.014 3.783 1.00 0.01 H new ATOM 0 HG1 THR A 10 -8.570 -0.441 2.382 1.00 55.24 H new ATOM 0 HG21 THR A 10 -9.234 1.866 2.488 1.00 1.32 H new ATOM 0 HG22 THR A 10 -7.930 3.071 2.603 1.00 1.32 H new ATOM 0 HG23 THR A 10 -8.161 2.152 1.097 1.00 1.32 H new ATOM 117 N LEU A 11 -5.157 3.619 2.244 1.00 0.33 N ATOM 118 CA LEU A 11 -4.709 4.847 2.793 1.00 73.24 C ATOM 119 C LEU A 11 -5.907 5.688 3.186 1.00 24.42 C ATOM 120 O LEU A 11 -6.884 5.756 2.442 1.00 23.12 O ATOM 121 CB LEU A 11 -3.748 5.569 1.796 1.00 60.15 C ATOM 122 CG LEU A 11 -4.286 6.035 0.419 1.00 41.04 C ATOM 123 CD1 LEU A 11 -5.044 7.360 0.509 1.00 52.40 C ATOM 124 CD2 LEU A 11 -3.158 6.139 -0.588 1.00 12.31 C ATOM 0 H LEU A 11 -5.342 3.644 1.241 1.00 0.33 H new ATOM 0 HA LEU A 11 -4.129 4.669 3.698 1.00 73.24 H new ATOM 0 HB2 LEU A 11 -3.349 6.447 2.305 1.00 60.15 H new ATOM 0 HB3 LEU A 11 -2.908 4.900 1.609 1.00 60.15 H new ATOM 0 HG LEU A 11 -4.995 5.279 0.082 1.00 41.04 H new ATOM 0 HD11 LEU A 11 -5.401 7.643 -0.481 1.00 52.40 H new ATOM 0 HD12 LEU A 11 -5.894 7.248 1.182 1.00 52.40 H new ATOM 0 HD13 LEU A 11 -4.379 8.135 0.890 1.00 52.40 H new ATOM 0 HD21 LEU A 11 -3.556 6.467 -1.548 1.00 12.31 H new ATOM 0 HD22 LEU A 11 -2.421 6.860 -0.235 1.00 12.31 H new ATOM 0 HD23 LEU A 11 -2.685 5.164 -0.706 1.00 12.31 H new ATOM 136 N GLN A 12 -5.871 6.234 4.362 1.00 55.20 N ATOM 137 CA GLN A 12 -6.898 7.128 4.826 1.00 11.53 C ATOM 138 C GLN A 12 -6.305 8.512 4.765 1.00 30.34 C ATOM 139 O GLN A 12 -5.387 8.832 5.505 1.00 30.13 O ATOM 140 CB GLN A 12 -7.350 6.739 6.261 1.00 33.22 C ATOM 141 CG GLN A 12 -8.598 7.453 6.784 1.00 2.50 C ATOM 142 CD GLN A 12 -8.374 8.892 7.221 1.00 0.12 C ATOM 143 OE1 GLN A 12 -7.306 9.267 7.703 1.00 31.34 O ATOM 144 NE2 GLN A 12 -9.373 9.691 7.071 1.00 5.31 N ATOM 0 H GLN A 12 -5.123 6.073 5.037 1.00 55.20 H new ATOM 0 HA GLN A 12 -7.796 7.077 4.210 1.00 11.53 H new ATOM 0 HB2 GLN A 12 -7.533 5.665 6.285 1.00 33.22 H new ATOM 0 HB3 GLN A 12 -6.527 6.938 6.947 1.00 33.22 H new ATOM 0 HG2 GLN A 12 -9.360 7.439 6.005 1.00 2.50 H new ATOM 0 HG3 GLN A 12 -8.995 6.889 7.628 1.00 2.50 H new ATOM 0 HE21 GLN A 12 -10.245 9.348 6.668 1.00 5.31 H new ATOM 0 HE22 GLN A 12 -9.292 10.667 7.355 1.00 5.31 H new ATOM 153 N LEU A 13 -6.773 9.288 3.852 1.00 63.44 N ATOM 154 CA LEU A 13 -6.246 10.586 3.625 1.00 53.02 C ATOM 155 C LEU A 13 -7.157 11.633 4.204 1.00 1.42 C ATOM 156 O LEU A 13 -8.341 11.706 3.843 1.00 61.33 O ATOM 157 CB LEU A 13 -6.081 10.815 2.123 1.00 42.00 C ATOM 158 CG LEU A 13 -5.673 12.224 1.703 1.00 52.25 C ATOM 159 CD1 LEU A 13 -4.300 12.594 2.242 1.00 55.51 C ATOM 160 CD2 LEU A 13 -5.738 12.385 0.194 1.00 35.43 C ATOM 0 H LEU A 13 -7.544 9.035 3.233 1.00 63.44 H new ATOM 0 HA LEU A 13 -5.275 10.663 4.114 1.00 53.02 H new ATOM 0 HB2 LEU A 13 -5.334 10.115 1.749 1.00 42.00 H new ATOM 0 HB3 LEU A 13 -7.023 10.569 1.632 1.00 42.00 H new ATOM 0 HG LEU A 13 -6.389 12.918 2.143 1.00 52.25 H new ATOM 0 HD11 LEU A 13 -4.044 13.604 1.922 1.00 55.51 H new ATOM 0 HD12 LEU A 13 -4.313 12.550 3.331 1.00 55.51 H new ATOM 0 HD13 LEU A 13 -3.558 11.893 1.859 1.00 55.51 H new ATOM 0 HD21 LEU A 13 -5.442 13.399 -0.077 1.00 35.43 H new ATOM 0 HD22 LEU A 13 -5.062 11.671 -0.277 1.00 35.43 H new ATOM 0 HD23 LEU A 13 -6.756 12.201 -0.148 1.00 35.43 H new ATOM 172 N ASP A 14 -6.625 12.434 5.091 1.00 31.51 N ATOM 173 CA ASP A 14 -7.374 13.521 5.637 1.00 33.54 C ATOM 174 C ASP A 14 -7.094 14.696 4.729 1.00 20.51 C ATOM 175 O ASP A 14 -6.018 15.308 4.786 1.00 64.42 O ATOM 176 CB ASP A 14 -6.909 13.811 7.072 1.00 54.34 C ATOM 177 CG ASP A 14 -7.795 14.787 7.812 1.00 34.24 C ATOM 178 OD1 ASP A 14 -7.600 16.015 7.695 1.00 20.14 O ATOM 179 OD2 ASP A 14 -8.691 14.338 8.557 1.00 1.15 O ATOM 0 H ASP A 14 -5.673 12.348 5.447 1.00 31.51 H new ATOM 0 HA ASP A 14 -8.441 13.304 5.689 1.00 33.54 H new ATOM 0 HB2 ASP A 14 -6.871 12.875 7.628 1.00 54.34 H new ATOM 0 HB3 ASP A 14 -5.893 14.206 7.043 1.00 54.34 H new ATOM 184 N ASP A 15 -8.019 14.943 3.838 1.00 21.15 N ATOM 185 CA ASP A 15 -7.869 15.973 2.809 1.00 74.40 C ATOM 186 C ASP A 15 -8.976 16.997 2.910 1.00 45.51 C ATOM 187 O ASP A 15 -8.972 18.002 2.199 1.00 40.21 O ATOM 188 CB ASP A 15 -7.976 15.324 1.414 1.00 11.41 C ATOM 189 CG ASP A 15 -9.386 14.810 1.120 1.00 53.33 C ATOM 190 OD1 ASP A 15 -9.940 14.041 1.942 1.00 30.35 O ATOM 191 OD2 ASP A 15 -9.976 15.175 0.066 1.00 4.42 O ATOM 0 H ASP A 15 -8.906 14.441 3.794 1.00 21.15 H new ATOM 0 HA ASP A 15 -6.900 16.452 2.953 1.00 74.40 H new ATOM 0 HB2 ASP A 15 -7.691 16.052 0.654 1.00 11.41 H new ATOM 0 HB3 ASP A 15 -7.269 14.498 1.345 1.00 11.41 H new ATOM 196 N GLY A 16 -9.922 16.735 3.764 1.00 32.43 N ATOM 197 CA GLY A 16 -11.092 17.563 3.838 1.00 62.10 C ATOM 198 C GLY A 16 -12.317 16.751 3.507 1.00 54.44 C ATOM 199 O GLY A 16 -13.449 17.168 3.778 1.00 2.22 O ATOM 0 H GLY A 16 -9.907 15.954 4.420 1.00 32.43 H new ATOM 0 HA2 GLY A 16 -11.185 17.987 4.838 1.00 62.10 H new ATOM 0 HA3 GLY A 16 -11.001 18.399 3.145 1.00 62.10 H new ATOM 203 N SER A 17 -12.092 15.592 2.914 1.00 52.55 N ATOM 204 CA SER A 17 -13.154 14.682 2.580 1.00 22.42 C ATOM 205 C SER A 17 -13.038 13.437 3.462 1.00 42.03 C ATOM 206 O SER A 17 -14.031 12.939 4.015 1.00 62.33 O ATOM 207 CB SER A 17 -13.037 14.269 1.110 1.00 4.11 C ATOM 208 OG SER A 17 -12.750 15.392 0.283 1.00 12.44 O ATOM 0 H SER A 17 -11.163 15.262 2.653 1.00 52.55 H new ATOM 0 HA SER A 17 -14.116 15.168 2.743 1.00 22.42 H new ATOM 0 HB2 SER A 17 -12.250 13.522 1.000 1.00 4.11 H new ATOM 0 HB3 SER A 17 -13.967 13.802 0.785 1.00 4.11 H new ATOM 0 HG SER A 17 -11.785 15.441 0.122 1.00 12.44 H new ATOM 214 N GLY A 18 -11.822 12.949 3.598 1.00 35.04 N ATOM 215 CA GLY A 18 -11.580 11.762 4.355 1.00 23.52 C ATOM 216 C GLY A 18 -11.671 10.609 3.432 1.00 5.20 C ATOM 217 O GLY A 18 -12.599 9.812 3.499 1.00 61.53 O ATOM 0 H GLY A 18 -10.988 13.368 3.187 1.00 35.04 H new ATOM 0 HA2 GLY A 18 -10.596 11.801 4.822 1.00 23.52 H new ATOM 0 HA3 GLY A 18 -12.310 11.666 5.159 1.00 23.52 H new ATOM 221 N ARG A 19 -10.731 10.543 2.544 1.00 42.34 N ATOM 222 CA ARG A 19 -10.759 9.567 1.499 1.00 4.35 C ATOM 223 C ARG A 19 -10.030 8.348 1.910 1.00 13.13 C ATOM 224 O ARG A 19 -9.128 8.404 2.739 1.00 0.32 O ATOM 225 CB ARG A 19 -10.074 10.087 0.267 1.00 20.15 C ATOM 226 CG ARG A 19 -10.559 11.424 -0.222 1.00 21.41 C ATOM 227 CD ARG A 19 -9.788 11.838 -1.447 1.00 15.31 C ATOM 228 NE ARG A 19 -10.089 13.212 -1.845 1.00 12.34 N ATOM 229 CZ ARG A 19 -10.257 13.629 -3.096 1.00 52.34 C ATOM 230 NH1 ARG A 19 -10.200 12.762 -4.118 1.00 61.30 N ATOM 231 NH2 ARG A 19 -10.493 14.916 -3.329 1.00 25.15 N ATOM 0 H ARG A 19 -9.922 11.164 2.522 1.00 42.34 H new ATOM 0 HA ARG A 19 -11.807 9.346 1.295 1.00 4.35 H new ATOM 0 HB2 ARG A 19 -9.005 10.158 0.468 1.00 20.15 H new ATOM 0 HB3 ARG A 19 -10.200 9.358 -0.534 1.00 20.15 H new ATOM 0 HG2 ARG A 19 -11.623 11.371 -0.453 1.00 21.41 H new ATOM 0 HG3 ARG A 19 -10.440 12.172 0.562 1.00 21.41 H new ATOM 0 HD2 ARG A 19 -8.720 11.743 -1.252 1.00 15.31 H new ATOM 0 HD3 ARG A 19 -10.024 11.162 -2.269 1.00 15.31 H new ATOM 0 HE ARG A 19 -10.177 13.907 -1.103 1.00 12.34 H new ATOM 0 HH11 ARG A 19 -10.026 11.773 -3.939 1.00 61.30 H new ATOM 0 HH12 ARG A 19 -10.330 13.092 -5.074 1.00 61.30 H new ATOM 0 HH21 ARG A 19 -10.544 15.574 -2.551 1.00 25.15 H new ATOM 0 HH22 ARG A 19 -10.623 15.246 -4.285 1.00 25.15 H new ATOM 245 N THR A 20 -10.395 7.261 1.337 1.00 2.43 N ATOM 246 CA THR A 20 -9.693 6.052 1.534 1.00 21.43 C ATOM 247 C THR A 20 -9.408 5.453 0.182 1.00 4.04 C ATOM 248 O THR A 20 -10.291 5.399 -0.671 1.00 32.32 O ATOM 249 CB THR A 20 -10.475 5.069 2.430 1.00 54.12 C ATOM 250 OG1 THR A 20 -11.784 4.838 1.886 1.00 54.24 O ATOM 251 CG2 THR A 20 -10.610 5.625 3.830 1.00 15.13 C ATOM 0 H THR A 20 -11.198 7.187 0.712 1.00 2.43 H new ATOM 0 HA THR A 20 -8.759 6.257 2.057 1.00 21.43 H new ATOM 0 HB THR A 20 -9.925 4.129 2.468 1.00 54.12 H new ATOM 0 HG1 THR A 20 -12.271 4.212 2.461 1.00 54.24 H new ATOM 0 HG21 THR A 20 -11.164 4.920 4.450 1.00 15.13 H new ATOM 0 HG22 THR A 20 -9.619 5.782 4.256 1.00 15.13 H new ATOM 0 HG23 THR A 20 -11.144 6.574 3.794 1.00 15.13 H new ATOM 259 N TYR A 21 -8.204 5.055 -0.034 1.00 35.13 N ATOM 260 CA TYR A 21 -7.830 4.509 -1.306 1.00 1.34 C ATOM 261 C TYR A 21 -7.014 3.268 -1.100 1.00 73.44 C ATOM 262 O TYR A 21 -6.028 3.282 -0.356 1.00 10.15 O ATOM 263 CB TYR A 21 -7.058 5.547 -2.146 1.00 53.45 C ATOM 264 CG TYR A 21 -6.635 5.050 -3.516 1.00 22.25 C ATOM 265 CD1 TYR A 21 -7.551 4.969 -4.552 1.00 34.44 C ATOM 266 CD2 TYR A 21 -5.322 4.654 -3.766 1.00 73.53 C ATOM 267 CE1 TYR A 21 -7.178 4.510 -5.797 1.00 73.24 C ATOM 268 CE2 TYR A 21 -4.942 4.193 -5.010 1.00 72.31 C ATOM 269 CZ TYR A 21 -5.873 4.123 -6.022 1.00 20.35 C ATOM 270 OH TYR A 21 -5.501 3.661 -7.270 1.00 22.01 O ATOM 0 H TYR A 21 -7.452 5.095 0.653 1.00 35.13 H new ATOM 0 HA TYR A 21 -8.733 4.249 -1.859 1.00 1.34 H new ATOM 0 HB2 TYR A 21 -7.681 6.433 -2.270 1.00 53.45 H new ATOM 0 HB3 TYR A 21 -6.170 5.856 -1.594 1.00 53.45 H new ATOM 0 HD1 TYR A 21 -8.574 5.270 -4.381 1.00 34.44 H new ATOM 0 HD2 TYR A 21 -4.590 4.709 -2.973 1.00 73.53 H new ATOM 0 HE1 TYR A 21 -7.905 4.453 -6.594 1.00 73.24 H new ATOM 0 HE2 TYR A 21 -3.921 3.889 -5.189 1.00 72.31 H new ATOM 0 HH TYR A 21 -4.549 3.430 -7.263 1.00 22.01 H new ATOM 280 N GLN A 22 -7.441 2.204 -1.704 1.00 75.44 N ATOM 281 CA GLN A 22 -6.748 0.963 -1.619 1.00 2.43 C ATOM 282 C GLN A 22 -5.605 0.967 -2.619 1.00 21.31 C ATOM 283 O GLN A 22 -5.807 1.175 -3.815 1.00 44.32 O ATOM 284 CB GLN A 22 -7.706 -0.204 -1.840 1.00 73.23 C ATOM 285 CG GLN A 22 -7.055 -1.566 -1.730 1.00 12.41 C ATOM 286 CD GLN A 22 -8.052 -2.700 -1.797 1.00 52.33 C ATOM 287 OE1 GLN A 22 -9.204 -2.573 -1.370 1.00 51.42 O ATOM 288 NE2 GLN A 22 -7.636 -3.800 -2.343 1.00 31.41 N ATOM 0 H GLN A 22 -8.287 2.175 -2.273 1.00 75.44 H new ATOM 0 HA GLN A 22 -6.329 0.836 -0.621 1.00 2.43 H new ATOM 0 HB2 GLN A 22 -8.515 -0.140 -1.112 1.00 73.23 H new ATOM 0 HB3 GLN A 22 -8.158 -0.108 -2.827 1.00 73.23 H new ATOM 0 HG2 GLN A 22 -6.327 -1.681 -2.533 1.00 12.41 H new ATOM 0 HG3 GLN A 22 -6.506 -1.626 -0.790 1.00 12.41 H new ATOM 0 HE21 GLN A 22 -6.677 -3.869 -2.685 1.00 31.41 H new ATOM 0 HE22 GLN A 22 -8.267 -4.596 -2.431 1.00 31.41 H new ATOM 297 N LEU A 23 -4.417 0.781 -2.106 1.00 20.32 N ATOM 298 CA LEU A 23 -3.199 0.827 -2.882 1.00 20.05 C ATOM 299 C LEU A 23 -3.124 -0.300 -3.878 1.00 50.31 C ATOM 300 O LEU A 23 -3.499 -1.442 -3.584 1.00 24.34 O ATOM 301 CB LEU A 23 -2.002 0.764 -1.951 1.00 14.35 C ATOM 302 CG LEU A 23 -1.721 2.016 -1.114 1.00 33.41 C ATOM 303 CD1 LEU A 23 -0.644 1.734 -0.093 1.00 63.43 C ATOM 304 CD2 LEU A 23 -1.288 3.171 -2.007 1.00 65.24 C ATOM 0 H LEU A 23 -4.263 0.589 -1.116 1.00 20.32 H new ATOM 0 HA LEU A 23 -3.194 1.764 -3.439 1.00 20.05 H new ATOM 0 HB2 LEU A 23 -2.142 -0.076 -1.271 1.00 14.35 H new ATOM 0 HB3 LEU A 23 -1.116 0.547 -2.548 1.00 14.35 H new ATOM 0 HG LEU A 23 -2.640 2.293 -0.598 1.00 33.41 H new ATOM 0 HD11 LEU A 23 -0.455 2.633 0.494 1.00 63.43 H new ATOM 0 HD12 LEU A 23 -0.970 0.931 0.568 1.00 63.43 H new ATOM 0 HD13 LEU A 23 0.272 1.435 -0.603 1.00 63.43 H new ATOM 0 HD21 LEU A 23 -1.093 4.051 -1.394 1.00 65.24 H new ATOM 0 HD22 LEU A 23 -0.381 2.895 -2.545 1.00 65.24 H new ATOM 0 HD23 LEU A 23 -2.080 3.395 -2.722 1.00 65.24 H new ATOM 316 N ARG A 24 -2.654 0.020 -5.051 1.00 31.04 N ATOM 317 CA ARG A 24 -2.468 -0.962 -6.082 1.00 41.45 C ATOM 318 C ARG A 24 -1.077 -1.523 -5.894 1.00 3.41 C ATOM 319 O ARG A 24 -0.204 -0.825 -5.342 1.00 72.13 O ATOM 320 CB ARG A 24 -2.562 -0.317 -7.469 1.00 54.34 C ATOM 321 CG ARG A 24 -3.751 0.619 -7.665 1.00 22.25 C ATOM 322 CD ARG A 24 -5.100 -0.061 -7.459 1.00 45.52 C ATOM 323 NE ARG A 24 -6.188 0.915 -7.582 1.00 13.42 N ATOM 324 CZ ARG A 24 -7.496 0.684 -7.397 1.00 20.40 C ATOM 325 NH1 ARG A 24 -7.940 -0.528 -7.087 1.00 42.52 N ATOM 326 NH2 ARG A 24 -8.363 1.681 -7.538 1.00 62.21 N ATOM 0 H ARG A 24 -2.389 0.968 -5.319 1.00 31.04 H new ATOM 0 HA ARG A 24 -3.235 -1.734 -6.016 1.00 41.45 H new ATOM 0 HB2 ARG A 24 -1.645 0.241 -7.657 1.00 54.34 H new ATOM 0 HB3 ARG A 24 -2.613 -1.107 -8.218 1.00 54.34 H new ATOM 0 HG2 ARG A 24 -3.664 1.454 -6.970 1.00 22.25 H new ATOM 0 HG3 ARG A 24 -3.713 1.036 -8.671 1.00 22.25 H new ATOM 0 HD2 ARG A 24 -5.230 -0.855 -8.194 1.00 45.52 H new ATOM 0 HD3 ARG A 24 -5.132 -0.529 -6.475 1.00 45.52 H new ATOM 0 HE ARG A 24 -5.923 1.867 -7.834 1.00 13.42 H new ATOM 0 HH11 ARG A 24 -7.283 -1.301 -6.986 1.00 42.52 H new ATOM 0 HH12 ARG A 24 -8.938 -0.686 -6.950 1.00 42.52 H new ATOM 0 HH21 ARG A 24 -8.032 2.614 -7.785 1.00 62.21 H new ATOM 0 HH22 ARG A 24 -9.360 1.514 -7.399 1.00 62.21 H new ATOM 340 N GLU A 25 -0.861 -2.746 -6.325 1.00 51.42 N ATOM 341 CA GLU A 25 0.442 -3.372 -6.189 1.00 65.11 C ATOM 342 C GLU A 25 1.468 -2.724 -7.092 1.00 30.42 C ATOM 343 O GLU A 25 1.206 -2.455 -8.280 1.00 62.25 O ATOM 344 CB GLU A 25 0.382 -4.885 -6.369 1.00 13.21 C ATOM 345 CG GLU A 25 -0.357 -5.349 -7.603 1.00 73.14 C ATOM 346 CD GLU A 25 -0.251 -6.829 -7.776 1.00 22.23 C ATOM 347 OE1 GLU A 25 -0.806 -7.586 -6.959 1.00 51.41 O ATOM 348 OE2 GLU A 25 0.413 -7.274 -8.725 1.00 42.10 O ATOM 0 H GLU A 25 -1.568 -3.329 -6.773 1.00 51.42 H new ATOM 0 HA GLU A 25 0.770 -3.204 -5.163 1.00 65.11 H new ATOM 0 HB2 GLU A 25 1.400 -5.273 -6.405 1.00 13.21 H new ATOM 0 HB3 GLU A 25 -0.095 -5.322 -5.492 1.00 13.21 H new ATOM 0 HG2 GLU A 25 -1.406 -5.064 -7.530 1.00 73.14 H new ATOM 0 HG3 GLU A 25 0.049 -4.848 -8.482 1.00 73.14 H new ATOM 355 N GLY A 26 2.602 -2.462 -6.522 1.00 72.51 N ATOM 356 CA GLY A 26 3.640 -1.741 -7.178 1.00 31.43 C ATOM 357 C GLY A 26 3.904 -0.505 -6.379 1.00 41.24 C ATOM 358 O GLY A 26 3.441 -0.403 -5.235 1.00 33.43 O ATOM 0 H GLY A 26 2.834 -2.749 -5.571 1.00 72.51 H new ATOM 0 HA2 GLY A 26 4.541 -2.349 -7.252 1.00 31.43 H new ATOM 0 HA3 GLY A 26 3.344 -1.484 -8.195 1.00 31.43 H new ATOM 362 N SER A 27 4.612 0.428 -6.908 1.00 60.41 N ATOM 363 CA SER A 27 4.842 1.614 -6.155 1.00 70.22 C ATOM 364 C SER A 27 4.030 2.766 -6.691 1.00 52.01 C ATOM 365 O SER A 27 4.043 3.056 -7.884 1.00 15.45 O ATOM 366 CB SER A 27 6.324 1.943 -6.047 1.00 14.33 C ATOM 367 OG SER A 27 6.930 2.058 -7.329 1.00 10.44 O ATOM 0 H SER A 27 5.034 0.400 -7.836 1.00 60.41 H new ATOM 0 HA SER A 27 4.499 1.430 -5.137 1.00 70.22 H new ATOM 0 HB2 SER A 27 6.451 2.877 -5.499 1.00 14.33 H new ATOM 0 HB3 SER A 27 6.829 1.166 -5.474 1.00 14.33 H new ATOM 0 HG SER A 27 7.881 2.271 -7.224 1.00 10.44 H new ATOM 373 N ASN A 28 3.335 3.401 -5.815 1.00 44.12 N ATOM 374 CA ASN A 28 2.476 4.493 -6.163 1.00 5.51 C ATOM 375 C ASN A 28 3.240 5.773 -5.909 1.00 74.21 C ATOM 376 O ASN A 28 3.581 6.083 -4.761 1.00 14.14 O ATOM 377 CB ASN A 28 1.176 4.424 -5.330 1.00 14.44 C ATOM 378 CG ASN A 28 0.399 3.114 -5.559 1.00 74.22 C ATOM 379 OD1 ASN A 28 -0.470 3.028 -6.430 1.00 32.34 O ATOM 380 ND2 ASN A 28 0.715 2.085 -4.783 1.00 53.11 N ATOM 0 H ASN A 28 3.342 3.178 -4.820 1.00 44.12 H new ATOM 0 HA ASN A 28 2.185 4.449 -7.212 1.00 5.51 H new ATOM 0 HB2 ASN A 28 1.421 4.518 -4.272 1.00 14.44 H new ATOM 0 HB3 ASN A 28 0.539 5.270 -5.586 1.00 14.44 H new ATOM 0 HD21 ASN A 28 0.235 1.193 -4.899 1.00 53.11 H new ATOM 0 HD22 ASN A 28 1.438 2.186 -4.071 1.00 53.11 H new ATOM 387 N ILE A 29 3.568 6.470 -6.976 1.00 24.11 N ATOM 388 CA ILE A 29 4.395 7.671 -6.902 1.00 64.23 C ATOM 389 C ILE A 29 3.531 8.892 -6.611 1.00 42.05 C ATOM 390 O ILE A 29 2.582 9.185 -7.351 1.00 61.12 O ATOM 391 CB ILE A 29 5.168 7.913 -8.233 1.00 73.32 C ATOM 392 CG1 ILE A 29 5.951 6.657 -8.671 1.00 31.13 C ATOM 393 CG2 ILE A 29 6.113 9.114 -8.109 1.00 4.13 C ATOM 394 CD1 ILE A 29 7.007 6.188 -7.692 1.00 51.12 C ATOM 0 H ILE A 29 3.273 6.226 -7.921 1.00 24.11 H new ATOM 0 HA ILE A 29 5.114 7.520 -6.097 1.00 64.23 H new ATOM 0 HB ILE A 29 4.427 8.132 -9.002 1.00 73.32 H new ATOM 0 HG12 ILE A 29 5.243 5.845 -8.835 1.00 31.13 H new ATOM 0 HG13 ILE A 29 6.430 6.861 -9.629 1.00 31.13 H new ATOM 0 HG21 ILE A 29 6.640 9.261 -9.052 1.00 4.13 H new ATOM 0 HG22 ILE A 29 5.536 10.008 -7.873 1.00 4.13 H new ATOM 0 HG23 ILE A 29 6.836 8.928 -7.314 1.00 4.13 H new ATOM 0 HD11 ILE A 29 7.502 5.301 -8.088 1.00 51.12 H new ATOM 0 HD12 ILE A 29 7.743 6.979 -7.544 1.00 51.12 H new ATOM 0 HD13 ILE A 29 6.537 5.946 -6.738 1.00 51.12 H new ATOM 406 N ILE A 30 3.861 9.583 -5.558 1.00 14.11 N ATOM 407 CA ILE A 30 3.145 10.763 -5.137 1.00 52.52 C ATOM 408 C ILE A 30 4.014 12.006 -5.377 1.00 23.41 C ATOM 409 O ILE A 30 5.238 11.962 -5.162 1.00 33.51 O ATOM 410 CB ILE A 30 2.763 10.655 -3.624 1.00 51.33 C ATOM 411 CG1 ILE A 30 1.841 9.441 -3.387 1.00 54.31 C ATOM 412 CG2 ILE A 30 2.136 11.942 -3.104 1.00 22.20 C ATOM 413 CD1 ILE A 30 1.427 9.239 -1.941 1.00 21.54 C ATOM 0 H ILE A 30 4.647 9.342 -4.955 1.00 14.11 H new ATOM 0 HA ILE A 30 2.228 10.850 -5.719 1.00 52.52 H new ATOM 0 HB ILE A 30 3.681 10.502 -3.057 1.00 51.33 H new ATOM 0 HG12 ILE A 30 0.944 9.557 -3.996 1.00 54.31 H new ATOM 0 HG13 ILE A 30 2.349 8.542 -3.736 1.00 54.31 H new ATOM 0 HG21 ILE A 30 1.886 11.825 -2.050 1.00 22.20 H new ATOM 0 HG22 ILE A 30 2.843 12.764 -3.220 1.00 22.20 H new ATOM 0 HG23 ILE A 30 1.230 12.160 -3.670 1.00 22.20 H new ATOM 0 HD11 ILE A 30 0.781 8.365 -1.866 1.00 21.54 H new ATOM 0 HD12 ILE A 30 2.314 9.088 -1.326 1.00 21.54 H new ATOM 0 HD13 ILE A 30 0.888 10.119 -1.590 1.00 21.54 H new ATOM 425 N GLY A 31 3.397 13.072 -5.873 1.00 31.12 N ATOM 426 CA GLY A 31 4.080 14.334 -6.078 1.00 61.02 C ATOM 427 C GLY A 31 3.449 15.108 -7.185 1.00 32.13 C ATOM 428 O GLY A 31 2.307 14.844 -7.535 1.00 33.11 O ATOM 0 H GLY A 31 2.413 13.082 -6.142 1.00 31.12 H new ATOM 0 HA2 GLY A 31 4.054 14.919 -5.159 1.00 61.02 H new ATOM 0 HA3 GLY A 31 5.129 14.151 -6.309 1.00 61.02 H new ATOM 432 N ARG A 32 4.140 16.078 -7.716 1.00 13.33 N ATOM 433 CA ARG A 32 3.617 16.806 -8.846 1.00 53.02 C ATOM 434 C ARG A 32 4.568 16.692 -9.992 1.00 40.44 C ATOM 435 O ARG A 32 5.628 17.318 -9.990 1.00 1.11 O ATOM 436 CB ARG A 32 3.410 18.287 -8.555 1.00 40.34 C ATOM 437 CG ARG A 32 2.360 18.634 -7.528 1.00 41.45 C ATOM 438 CD ARG A 32 2.027 20.114 -7.678 1.00 53.01 C ATOM 439 NE ARG A 32 0.883 20.560 -6.883 1.00 42.00 N ATOM 440 CZ ARG A 32 -0.094 21.362 -7.359 1.00 62.11 C ATOM 441 NH1 ARG A 32 -0.145 21.651 -8.657 1.00 3.23 N ATOM 442 NH2 ARG A 32 -1.042 21.824 -6.546 1.00 62.45 N ATOM 0 H ARG A 32 5.058 16.383 -7.391 1.00 13.33 H new ATOM 0 HA ARG A 32 2.647 16.367 -9.079 1.00 53.02 H new ATOM 0 HB2 ARG A 32 4.361 18.705 -8.225 1.00 40.34 H new ATOM 0 HB3 ARG A 32 3.150 18.785 -9.489 1.00 40.34 H new ATOM 0 HG2 ARG A 32 1.468 18.026 -7.675 1.00 41.45 H new ATOM 0 HG3 ARG A 32 2.726 18.426 -6.523 1.00 41.45 H new ATOM 0 HD2 ARG A 32 2.901 20.701 -7.396 1.00 53.01 H new ATOM 0 HD3 ARG A 32 1.828 20.324 -8.729 1.00 53.01 H new ATOM 0 HE ARG A 32 0.819 20.248 -5.914 1.00 42.00 H new ATOM 0 HH11 ARG A 32 0.554 21.267 -9.293 1.00 3.23 H new ATOM 0 HH12 ARG A 32 -0.883 22.257 -9.016 1.00 3.23 H new ATOM 0 HH21 ARG A 32 -1.033 21.573 -5.557 1.00 62.45 H new ATOM 0 HH22 ARG A 32 -1.777 22.429 -6.912 1.00 62.45 H new ATOM 456 N GLY A 33 4.216 15.911 -10.956 1.00 75.14 N ATOM 457 CA GLY A 33 5.051 15.760 -12.085 1.00 12.50 C ATOM 458 C GLY A 33 4.505 14.754 -13.029 1.00 42.54 C ATOM 459 O GLY A 33 3.440 14.187 -12.788 1.00 21.20 O ATOM 0 H GLY A 33 3.353 15.369 -10.979 1.00 75.14 H new ATOM 0 HA2 GLY A 33 5.156 16.719 -12.593 1.00 12.50 H new ATOM 0 HA3 GLY A 33 6.048 15.458 -11.765 1.00 12.50 H new ATOM 463 N GLN A 34 5.255 14.500 -14.070 1.00 14.42 N ATOM 464 CA GLN A 34 4.911 13.526 -15.091 1.00 31.12 C ATOM 465 C GLN A 34 5.160 12.116 -14.543 1.00 64.23 C ATOM 466 O GLN A 34 4.561 11.140 -14.978 1.00 4.23 O ATOM 467 CB GLN A 34 5.789 13.789 -16.327 1.00 32.23 C ATOM 468 CG GLN A 34 7.282 13.565 -16.071 1.00 63.32 C ATOM 469 CD GLN A 34 8.182 14.082 -17.164 1.00 15.50 C ATOM 470 OE1 GLN A 34 7.804 14.159 -18.329 1.00 43.52 O ATOM 471 NE2 GLN A 34 9.390 14.408 -16.806 1.00 12.31 N ATOM 0 H GLN A 34 6.143 14.971 -14.242 1.00 14.42 H new ATOM 0 HA GLN A 34 3.861 13.611 -15.370 1.00 31.12 H new ATOM 0 HB2 GLN A 34 5.465 13.137 -17.139 1.00 32.23 H new ATOM 0 HB3 GLN A 34 5.635 14.815 -16.661 1.00 32.23 H new ATOM 0 HG2 GLN A 34 7.555 14.048 -15.133 1.00 63.32 H new ATOM 0 HG3 GLN A 34 7.461 12.497 -15.943 1.00 63.32 H new ATOM 0 HE21 GLN A 34 9.670 14.332 -15.828 1.00 12.31 H new ATOM 0 HE22 GLN A 34 10.056 14.740 -17.503 1.00 12.31 H new ATOM 480 N ASP A 35 6.040 12.052 -13.559 1.00 63.13 N ATOM 481 CA ASP A 35 6.438 10.810 -12.912 1.00 71.13 C ATOM 482 C ASP A 35 5.418 10.405 -11.869 1.00 52.01 C ATOM 483 O ASP A 35 5.371 9.249 -11.447 1.00 14.15 O ATOM 484 CB ASP A 35 7.773 11.000 -12.185 1.00 10.41 C ATOM 485 CG ASP A 35 8.947 11.393 -13.055 1.00 64.04 C ATOM 486 OD1 ASP A 35 9.020 12.556 -13.486 1.00 62.14 O ATOM 487 OD2 ASP A 35 9.862 10.558 -13.261 1.00 63.22 O ATOM 0 H ASP A 35 6.507 12.875 -13.179 1.00 63.13 H new ATOM 0 HA ASP A 35 6.519 10.046 -13.686 1.00 71.13 H new ATOM 0 HB2 ASP A 35 7.642 11.763 -11.418 1.00 10.41 H new ATOM 0 HB3 ASP A 35 8.021 10.071 -11.671 1.00 10.41 H new ATOM 492 N ALA A 36 4.615 11.357 -11.452 1.00 74.24 N ATOM 493 CA ALA A 36 3.678 11.147 -10.376 1.00 61.22 C ATOM 494 C ALA A 36 2.432 10.432 -10.847 1.00 42.05 C ATOM 495 O ALA A 36 1.871 10.754 -11.894 1.00 73.24 O ATOM 496 CB ALA A 36 3.313 12.466 -9.726 1.00 14.33 C ATOM 0 H ALA A 36 4.594 12.296 -11.849 1.00 74.24 H new ATOM 0 HA ALA A 36 4.165 10.510 -9.638 1.00 61.22 H new ATOM 0 HB1 ALA A 36 2.605 12.289 -8.916 1.00 14.33 H new ATOM 0 HB2 ALA A 36 4.212 12.936 -9.326 1.00 14.33 H new ATOM 0 HB3 ALA A 36 2.859 13.124 -10.467 1.00 14.33 H new ATOM 502 N GLN A 37 2.004 9.475 -10.065 1.00 1.44 N ATOM 503 CA GLN A 37 0.817 8.713 -10.339 1.00 23.44 C ATOM 504 C GLN A 37 -0.343 9.319 -9.551 1.00 24.24 C ATOM 505 O GLN A 37 -1.521 9.154 -9.892 1.00 4.42 O ATOM 506 CB GLN A 37 1.036 7.261 -9.912 1.00 23.43 C ATOM 507 CG GLN A 37 2.218 6.565 -10.590 1.00 1.20 C ATOM 508 CD GLN A 37 2.097 6.503 -12.104 1.00 5.55 C ATOM 509 OE1 GLN A 37 2.552 7.399 -12.820 1.00 14.33 O ATOM 510 NE2 GLN A 37 1.473 5.475 -12.598 1.00 21.14 N ATOM 0 H GLN A 37 2.480 9.200 -9.206 1.00 1.44 H new ATOM 0 HA GLN A 37 0.590 8.737 -11.405 1.00 23.44 H new ATOM 0 HB2 GLN A 37 1.186 7.233 -8.833 1.00 23.43 H new ATOM 0 HB3 GLN A 37 0.129 6.694 -10.123 1.00 23.43 H new ATOM 0 HG2 GLN A 37 3.137 7.089 -10.328 1.00 1.20 H new ATOM 0 HG3 GLN A 37 2.306 5.552 -10.199 1.00 1.20 H new ATOM 0 HE21 GLN A 37 1.109 4.752 -11.977 1.00 21.14 H new ATOM 0 HE22 GLN A 37 1.347 5.391 -13.607 1.00 21.14 H new ATOM 519 N PHE A 38 0.015 9.998 -8.486 1.00 52.33 N ATOM 520 CA PHE A 38 -0.908 10.700 -7.636 1.00 71.11 C ATOM 521 C PHE A 38 -0.356 12.088 -7.364 1.00 32.41 C ATOM 522 O PHE A 38 0.755 12.232 -6.836 1.00 11.41 O ATOM 523 CB PHE A 38 -1.130 9.924 -6.323 1.00 1.23 C ATOM 524 CG PHE A 38 -1.974 10.644 -5.296 1.00 23.30 C ATOM 525 CD1 PHE A 38 -3.347 10.748 -5.439 1.00 63.11 C ATOM 526 CD2 PHE A 38 -1.382 11.212 -4.183 1.00 3.24 C ATOM 527 CE1 PHE A 38 -4.106 11.409 -4.490 1.00 24.13 C ATOM 528 CE2 PHE A 38 -2.124 11.867 -3.239 1.00 44.22 C ATOM 529 CZ PHE A 38 -3.491 11.970 -3.385 1.00 44.44 C ATOM 0 H PHE A 38 0.985 10.077 -8.182 1.00 52.33 H new ATOM 0 HA PHE A 38 -1.876 10.787 -8.130 1.00 71.11 H new ATOM 0 HB2 PHE A 38 -1.603 8.970 -6.557 1.00 1.23 H new ATOM 0 HB3 PHE A 38 -0.159 9.699 -5.882 1.00 1.23 H new ATOM 0 HD1 PHE A 38 -3.830 10.309 -6.299 1.00 63.11 H new ATOM 0 HD2 PHE A 38 -0.312 11.137 -4.057 1.00 3.24 H new ATOM 0 HE1 PHE A 38 -5.176 11.487 -4.611 1.00 24.13 H new ATOM 0 HE2 PHE A 38 -1.639 12.304 -2.379 1.00 44.22 H new ATOM 0 HZ PHE A 38 -4.079 12.486 -2.640 1.00 44.44 H new ATOM 539 N ARG A 39 -1.098 13.089 -7.748 1.00 14.15 N ATOM 540 CA ARG A 39 -0.670 14.451 -7.588 1.00 24.23 C ATOM 541 C ARG A 39 -1.268 15.073 -6.346 1.00 30.14 C ATOM 542 O ARG A 39 -2.479 14.984 -6.105 1.00 72.54 O ATOM 543 CB ARG A 39 -0.993 15.283 -8.828 1.00 54.51 C ATOM 544 CG ARG A 39 -0.291 14.793 -10.082 1.00 22.03 C ATOM 545 CD ARG A 39 -0.579 15.689 -11.265 1.00 4.11 C ATOM 546 NE ARG A 39 0.133 15.242 -12.468 1.00 64.32 N ATOM 547 CZ ARG A 39 0.523 16.028 -13.477 1.00 65.31 C ATOM 548 NH1 ARG A 39 0.243 17.329 -13.462 1.00 32.31 N ATOM 549 NH2 ARG A 39 1.185 15.503 -14.505 1.00 62.30 N ATOM 0 H ARG A 39 -2.016 12.984 -8.180 1.00 14.15 H new ATOM 0 HA ARG A 39 0.413 14.442 -7.466 1.00 24.23 H new ATOM 0 HB2 ARG A 39 -2.070 15.270 -8.995 1.00 54.51 H new ATOM 0 HB3 ARG A 39 -0.711 16.320 -8.644 1.00 54.51 H new ATOM 0 HG2 ARG A 39 0.784 14.755 -9.907 1.00 22.03 H new ATOM 0 HG3 ARG A 39 -0.614 13.777 -10.307 1.00 22.03 H new ATOM 0 HD2 ARG A 39 -1.651 15.702 -11.460 1.00 4.11 H new ATOM 0 HD3 ARG A 39 -0.286 16.712 -11.027 1.00 4.11 H new ATOM 0 HE ARG A 39 0.349 14.248 -12.541 1.00 64.32 H new ATOM 0 HH11 ARG A 39 -0.271 17.731 -12.678 1.00 32.31 H new ATOM 0 HH12 ARG A 39 0.543 17.924 -14.234 1.00 32.31 H new ATOM 0 HH21 ARG A 39 1.393 14.505 -14.521 1.00 62.30 H new ATOM 0 HH22 ARG A 39 1.484 16.099 -15.277 1.00 62.30 H new ATOM 563 N LEU A 40 -0.416 15.688 -5.555 1.00 14.23 N ATOM 564 CA LEU A 40 -0.835 16.340 -4.328 1.00 14.44 C ATOM 565 C LEU A 40 -1.486 17.684 -4.618 1.00 61.32 C ATOM 566 O LEU A 40 -1.060 18.392 -5.534 1.00 60.21 O ATOM 567 CB LEU A 40 0.345 16.542 -3.374 1.00 34.41 C ATOM 568 CG LEU A 40 0.944 15.291 -2.754 1.00 51.24 C ATOM 569 CD1 LEU A 40 2.122 15.662 -1.884 1.00 31.13 C ATOM 570 CD2 LEU A 40 -0.099 14.562 -1.923 1.00 2.43 C ATOM 0 H LEU A 40 0.585 15.752 -5.741 1.00 14.23 H new ATOM 0 HA LEU A 40 -1.565 15.686 -3.851 1.00 14.44 H new ATOM 0 HB2 LEU A 40 1.134 17.065 -3.915 1.00 34.41 H new ATOM 0 HB3 LEU A 40 0.022 17.200 -2.567 1.00 34.41 H new ATOM 0 HG LEU A 40 1.281 14.631 -3.554 1.00 51.24 H new ATOM 0 HD11 LEU A 40 2.547 14.760 -1.443 1.00 31.13 H new ATOM 0 HD12 LEU A 40 2.879 16.161 -2.490 1.00 31.13 H new ATOM 0 HD13 LEU A 40 1.792 16.333 -1.091 1.00 31.13 H new ATOM 0 HD21 LEU A 40 0.345 13.668 -1.485 1.00 2.43 H new ATOM 0 HD22 LEU A 40 -0.454 15.218 -1.128 1.00 2.43 H new ATOM 0 HD23 LEU A 40 -0.937 14.277 -2.559 1.00 2.43 H new ATOM 582 N PRO A 41 -2.509 18.077 -3.834 1.00 63.04 N ATOM 583 CA PRO A 41 -3.214 19.347 -4.021 1.00 32.31 C ATOM 584 C PRO A 41 -2.433 20.567 -3.489 1.00 13.02 C ATOM 585 O PRO A 41 -2.961 21.668 -3.443 1.00 61.21 O ATOM 586 CB PRO A 41 -4.526 19.166 -3.227 1.00 15.12 C ATOM 587 CG PRO A 41 -4.533 17.740 -2.773 1.00 20.11 C ATOM 588 CD PRO A 41 -3.102 17.312 -2.721 1.00 32.24 C ATOM 0 HA PRO A 41 -3.362 19.555 -5.081 1.00 32.31 H new ATOM 0 HB2 PRO A 41 -4.566 19.847 -2.377 1.00 15.12 H new ATOM 0 HB3 PRO A 41 -5.394 19.382 -3.850 1.00 15.12 H new ATOM 0 HG2 PRO A 41 -5.003 17.645 -1.794 1.00 20.11 H new ATOM 0 HG3 PRO A 41 -5.101 17.115 -3.462 1.00 20.11 H new ATOM 0 HD2 PRO A 41 -2.638 17.557 -1.766 1.00 32.24 H new ATOM 0 HD3 PRO A 41 -2.993 16.237 -2.862 1.00 32.24 H new ATOM 596 N ASP A 42 -1.183 20.378 -3.112 1.00 43.22 N ATOM 597 CA ASP A 42 -0.369 21.491 -2.632 1.00 15.34 C ATOM 598 C ASP A 42 0.857 21.556 -3.491 1.00 31.12 C ATOM 599 O ASP A 42 1.178 20.581 -4.189 1.00 72.23 O ATOM 600 CB ASP A 42 0.048 21.307 -1.172 1.00 63.15 C ATOM 601 CG ASP A 42 0.549 22.592 -0.499 1.00 70.33 C ATOM 602 OD1 ASP A 42 0.462 23.695 -1.109 1.00 42.13 O ATOM 603 OD2 ASP A 42 1.043 22.522 0.651 1.00 43.32 O ATOM 0 H ASP A 42 -0.708 19.476 -3.126 1.00 43.22 H new ATOM 0 HA ASP A 42 -0.953 22.410 -2.690 1.00 15.34 H new ATOM 0 HB2 ASP A 42 -0.801 20.921 -0.608 1.00 63.15 H new ATOM 0 HB3 ASP A 42 0.833 20.553 -1.121 1.00 63.15 H new ATOM 608 N THR A 43 1.532 22.645 -3.444 1.00 63.14 N ATOM 609 CA THR A 43 2.672 22.880 -4.255 1.00 13.24 C ATOM 610 C THR A 43 3.939 22.880 -3.352 1.00 13.41 C ATOM 611 O THR A 43 3.823 22.802 -2.122 1.00 22.41 O ATOM 612 CB THR A 43 2.468 24.224 -4.969 1.00 62.42 C ATOM 613 OG1 THR A 43 1.136 24.235 -5.525 1.00 44.24 O ATOM 614 CG2 THR A 43 3.458 24.424 -6.101 1.00 75.34 C ATOM 0 H THR A 43 1.301 23.421 -2.823 1.00 63.14 H new ATOM 0 HA THR A 43 2.806 22.103 -5.007 1.00 13.24 H new ATOM 0 HB THR A 43 2.617 25.024 -4.244 1.00 62.42 H new ATOM 0 HG1 THR A 43 0.981 25.086 -5.986 1.00 44.24 H new ATOM 0 HG21 THR A 43 3.276 25.387 -6.577 1.00 75.34 H new ATOM 0 HG22 THR A 43 4.473 24.401 -5.705 1.00 75.34 H new ATOM 0 HG23 THR A 43 3.337 23.628 -6.835 1.00 75.34 H new ATOM 622 N GLY A 44 5.124 22.925 -3.956 1.00 40.13 N ATOM 623 CA GLY A 44 6.355 22.860 -3.195 1.00 52.41 C ATOM 624 C GLY A 44 6.831 21.436 -3.133 1.00 2.32 C ATOM 625 O GLY A 44 7.826 21.112 -2.489 1.00 41.50 O ATOM 0 H GLY A 44 5.251 23.006 -4.965 1.00 40.13 H new ATOM 0 HA2 GLY A 44 7.115 23.489 -3.658 1.00 52.41 H new ATOM 0 HA3 GLY A 44 6.193 23.245 -2.188 1.00 52.41 H new ATOM 629 N VAL A 45 6.119 20.605 -3.848 1.00 15.23 N ATOM 630 CA VAL A 45 6.336 19.190 -3.896 1.00 24.31 C ATOM 631 C VAL A 45 7.106 18.866 -5.174 1.00 2.33 C ATOM 632 O VAL A 45 6.926 19.537 -6.194 1.00 52.11 O ATOM 633 CB VAL A 45 4.963 18.447 -3.899 1.00 53.13 C ATOM 634 CG1 VAL A 45 5.142 16.955 -3.852 1.00 31.34 C ATOM 635 CG2 VAL A 45 4.092 18.914 -2.738 1.00 52.20 C ATOM 0 H VAL A 45 5.343 20.911 -4.434 1.00 15.23 H new ATOM 0 HA VAL A 45 6.906 18.866 -3.025 1.00 24.31 H new ATOM 0 HB VAL A 45 4.460 18.694 -4.834 1.00 53.13 H new ATOM 0 HG11 VAL A 45 4.165 16.471 -3.855 1.00 31.34 H new ATOM 0 HG12 VAL A 45 5.711 16.629 -4.722 1.00 31.34 H new ATOM 0 HG13 VAL A 45 5.679 16.681 -2.944 1.00 31.34 H new ATOM 0 HG21 VAL A 45 3.140 18.383 -2.760 1.00 52.20 H new ATOM 0 HG22 VAL A 45 4.600 18.708 -1.796 1.00 52.20 H new ATOM 0 HG23 VAL A 45 3.912 19.985 -2.826 1.00 52.20 H new ATOM 645 N SER A 46 7.973 17.891 -5.111 1.00 12.01 N ATOM 646 CA SER A 46 8.770 17.498 -6.245 1.00 12.03 C ATOM 647 C SER A 46 7.942 16.621 -7.216 1.00 20.13 C ATOM 648 O SER A 46 6.795 16.258 -6.904 1.00 41.14 O ATOM 649 CB SER A 46 9.991 16.747 -5.727 1.00 13.45 C ATOM 650 OG SER A 46 10.639 17.506 -4.709 1.00 3.02 O ATOM 0 H SER A 46 8.148 17.344 -4.268 1.00 12.01 H new ATOM 0 HA SER A 46 9.091 18.377 -6.804 1.00 12.03 H new ATOM 0 HB2 SER A 46 9.690 15.777 -5.332 1.00 13.45 H new ATOM 0 HB3 SER A 46 10.684 16.556 -6.546 1.00 13.45 H new ATOM 0 HG SER A 46 11.421 17.014 -4.382 1.00 3.02 H new ATOM 656 N ARG A 47 8.516 16.296 -8.381 1.00 4.41 N ATOM 657 CA ARG A 47 7.842 15.454 -9.387 1.00 15.52 C ATOM 658 C ARG A 47 7.627 14.047 -8.849 1.00 23.51 C ATOM 659 O ARG A 47 6.676 13.359 -9.207 1.00 33.11 O ATOM 660 CB ARG A 47 8.621 15.430 -10.715 1.00 34.05 C ATOM 661 CG ARG A 47 10.035 14.900 -10.600 1.00 3.22 C ATOM 662 CD ARG A 47 10.730 14.838 -11.936 1.00 1.44 C ATOM 663 NE ARG A 47 10.983 16.163 -12.516 1.00 62.02 N ATOM 664 CZ ARG A 47 12.114 16.507 -13.153 1.00 72.14 C ATOM 665 NH1 ARG A 47 13.095 15.621 -13.311 1.00 13.33 N ATOM 666 NH2 ARG A 47 12.254 17.729 -13.638 1.00 44.33 N ATOM 0 H ARG A 47 9.449 16.603 -8.654 1.00 4.41 H new ATOM 0 HA ARG A 47 6.866 15.893 -9.593 1.00 15.52 H new ATOM 0 HB2 ARG A 47 8.074 14.819 -11.432 1.00 34.05 H new ATOM 0 HB3 ARG A 47 8.657 16.441 -11.120 1.00 34.05 H new ATOM 0 HG2 ARG A 47 10.606 15.537 -9.924 1.00 3.22 H new ATOM 0 HG3 ARG A 47 10.013 13.904 -10.157 1.00 3.22 H new ATOM 0 HD2 ARG A 47 11.677 14.311 -11.822 1.00 1.44 H new ATOM 0 HD3 ARG A 47 10.122 14.255 -12.628 1.00 1.44 H new ATOM 0 HE ARG A 47 10.252 16.869 -12.429 1.00 62.02 H new ATOM 0 HH11 ARG A 47 12.990 14.674 -12.947 1.00 13.33 H new ATOM 0 HH12 ARG A 47 13.951 15.889 -13.796 1.00 13.33 H new ATOM 0 HH21 ARG A 47 11.503 18.410 -13.528 1.00 44.33 H new ATOM 0 HH22 ARG A 47 13.113 17.990 -14.122 1.00 44.33 H new ATOM 680 N ARG A 48 8.536 13.650 -8.009 1.00 72.31 N ATOM 681 CA ARG A 48 8.496 12.421 -7.279 1.00 60.41 C ATOM 682 C ARG A 48 8.856 12.798 -5.882 1.00 34.22 C ATOM 683 O ARG A 48 9.972 13.220 -5.637 1.00 1.44 O ATOM 684 CB ARG A 48 9.529 11.435 -7.803 1.00 23.33 C ATOM 685 CG ARG A 48 9.346 11.033 -9.239 1.00 53.04 C ATOM 686 CD ARG A 48 10.549 10.276 -9.756 1.00 61.34 C ATOM 687 NE ARG A 48 11.767 11.083 -9.621 1.00 2.03 N ATOM 688 CZ ARG A 48 12.527 11.525 -10.621 1.00 21.02 C ATOM 689 NH1 ARG A 48 12.153 11.355 -11.900 1.00 65.32 N ATOM 690 NH2 ARG A 48 13.639 12.189 -10.339 1.00 54.14 N ATOM 0 H ARG A 48 9.368 14.204 -7.805 1.00 72.31 H new ATOM 0 HA ARG A 48 7.520 11.943 -7.363 1.00 60.41 H new ATOM 0 HB2 ARG A 48 10.520 11.873 -7.687 1.00 23.33 H new ATOM 0 HB3 ARG A 48 9.502 10.539 -7.183 1.00 23.33 H new ATOM 0 HG2 ARG A 48 8.455 10.413 -9.334 1.00 53.04 H new ATOM 0 HG3 ARG A 48 9.183 11.921 -9.849 1.00 53.04 H new ATOM 0 HD2 ARG A 48 10.662 9.343 -9.204 1.00 61.34 H new ATOM 0 HD3 ARG A 48 10.396 10.011 -10.802 1.00 61.34 H new ATOM 0 HE ARG A 48 12.058 11.328 -8.675 1.00 2.03 H new ATOM 0 HH11 ARG A 48 11.276 10.882 -12.116 1.00 65.32 H new ATOM 0 HH12 ARG A 48 12.746 11.699 -12.655 1.00 65.32 H new ATOM 0 HH21 ARG A 48 13.902 12.355 -9.367 1.00 54.14 H new ATOM 0 HH22 ARG A 48 14.232 12.534 -11.094 1.00 54.14 H new ATOM 704 N HIS A 49 7.909 12.740 -5.018 1.00 71.11 N ATOM 705 CA HIS A 49 8.077 13.136 -3.644 1.00 45.41 C ATOM 706 C HIS A 49 8.171 11.918 -2.757 1.00 25.43 C ATOM 707 O HIS A 49 8.892 11.911 -1.776 1.00 42.42 O ATOM 708 CB HIS A 49 6.910 14.066 -3.216 1.00 24.22 C ATOM 709 CG HIS A 49 6.839 14.390 -1.745 1.00 21.01 C ATOM 710 ND1 HIS A 49 7.359 15.544 -1.240 1.00 62.04 N ATOM 711 CD2 HIS A 49 6.305 13.667 -0.734 1.00 45.33 C ATOM 712 CE1 HIS A 49 7.133 15.489 0.071 1.00 11.22 C ATOM 713 NE2 HIS A 49 6.503 14.372 0.413 1.00 62.14 N ATOM 0 H HIS A 49 6.969 12.410 -5.239 1.00 71.11 H new ATOM 0 HA HIS A 49 9.008 13.693 -3.539 1.00 45.41 H new ATOM 0 HB2 HIS A 49 6.992 15.000 -3.772 1.00 24.22 H new ATOM 0 HB3 HIS A 49 5.970 13.600 -3.512 1.00 24.22 H new ATOM 0 HD2 HIS A 49 5.813 12.709 -0.821 1.00 45.33 H new ATOM 0 HE1 HIS A 49 7.426 16.258 0.770 1.00 11.22 H new ATOM 0 HE2 HIS A 49 6.222 14.095 1.354 1.00 62.14 H new ATOM 721 N LEU A 50 7.433 10.900 -3.094 1.00 32.34 N ATOM 722 CA LEU A 50 7.403 9.722 -2.290 1.00 15.21 C ATOM 723 C LEU A 50 6.835 8.581 -3.085 1.00 21.42 C ATOM 724 O LEU A 50 6.032 8.793 -4.007 1.00 62.13 O ATOM 725 CB LEU A 50 6.596 10.020 -0.992 1.00 13.10 C ATOM 726 CG LEU A 50 6.360 8.886 0.013 1.00 11.33 C ATOM 727 CD1 LEU A 50 6.144 9.477 1.379 1.00 11.24 C ATOM 728 CD2 LEU A 50 5.117 8.107 -0.357 1.00 4.23 C ATOM 0 H LEU A 50 6.843 10.866 -3.925 1.00 32.34 H new ATOM 0 HA LEU A 50 8.409 9.426 -1.992 1.00 15.21 H new ATOM 0 HB2 LEU A 50 7.106 10.826 -0.465 1.00 13.10 H new ATOM 0 HB3 LEU A 50 5.620 10.403 -1.292 1.00 13.10 H new ATOM 0 HG LEU A 50 7.227 8.226 0.004 1.00 11.33 H new ATOM 0 HD11 LEU A 50 5.975 8.676 2.099 1.00 11.24 H new ATOM 0 HD12 LEU A 50 7.025 10.049 1.671 1.00 11.24 H new ATOM 0 HD13 LEU A 50 5.275 10.135 1.358 1.00 11.24 H new ATOM 0 HD21 LEU A 50 4.962 7.305 0.365 1.00 4.23 H new ATOM 0 HD22 LEU A 50 4.254 8.773 -0.350 1.00 4.23 H new ATOM 0 HD23 LEU A 50 5.238 7.680 -1.353 1.00 4.23 H new ATOM 740 N GLU A 51 7.278 7.397 -2.778 1.00 34.14 N ATOM 741 CA GLU A 51 6.773 6.220 -3.405 1.00 30.32 C ATOM 742 C GLU A 51 6.287 5.246 -2.358 1.00 42.03 C ATOM 743 O GLU A 51 7.024 4.873 -1.425 1.00 33.41 O ATOM 744 CB GLU A 51 7.812 5.556 -4.323 1.00 3.15 C ATOM 745 CG GLU A 51 9.127 5.192 -3.654 1.00 15.01 C ATOM 746 CD GLU A 51 10.051 4.425 -4.559 1.00 53.43 C ATOM 747 OE1 GLU A 51 10.833 5.044 -5.289 1.00 52.24 O ATOM 748 OE2 GLU A 51 10.013 3.170 -4.551 1.00 63.53 O ATOM 0 H GLU A 51 8.003 7.224 -2.082 1.00 34.14 H new ATOM 0 HA GLU A 51 5.937 6.517 -4.038 1.00 30.32 H new ATOM 0 HB2 GLU A 51 7.375 4.651 -4.745 1.00 3.15 H new ATOM 0 HB3 GLU A 51 8.020 6.228 -5.156 1.00 3.15 H new ATOM 0 HG2 GLU A 51 9.625 6.103 -3.323 1.00 15.01 H new ATOM 0 HG3 GLU A 51 8.923 4.598 -2.763 1.00 15.01 H new ATOM 755 N ILE A 52 5.049 4.883 -2.456 1.00 32.34 N ATOM 756 CA ILE A 52 4.531 3.870 -1.600 1.00 63.31 C ATOM 757 C ILE A 52 4.600 2.580 -2.364 1.00 25.32 C ATOM 758 O ILE A 52 3.814 2.366 -3.297 1.00 24.30 O ATOM 759 CB ILE A 52 3.060 4.111 -1.180 1.00 12.33 C ATOM 760 CG1 ILE A 52 2.897 5.475 -0.499 1.00 52.23 C ATOM 761 CG2 ILE A 52 2.626 2.996 -0.237 1.00 63.23 C ATOM 762 CD1 ILE A 52 1.469 5.811 -0.104 1.00 52.23 C ATOM 0 H ILE A 52 4.380 5.273 -3.120 1.00 32.34 H new ATOM 0 HA ILE A 52 5.121 3.862 -0.683 1.00 63.31 H new ATOM 0 HB ILE A 52 2.432 4.109 -2.071 1.00 12.33 H new ATOM 0 HG12 ILE A 52 3.523 5.500 0.393 1.00 52.23 H new ATOM 0 HG13 ILE A 52 3.267 6.250 -1.170 1.00 52.23 H new ATOM 0 HG21 ILE A 52 1.591 3.157 0.065 1.00 63.23 H new ATOM 0 HG22 ILE A 52 2.711 2.036 -0.746 1.00 63.23 H new ATOM 0 HG23 ILE A 52 3.265 2.997 0.646 1.00 63.23 H new ATOM 0 HD11 ILE A 52 1.444 6.792 0.371 1.00 52.23 H new ATOM 0 HD12 ILE A 52 0.839 5.822 -0.993 1.00 52.23 H new ATOM 0 HD13 ILE A 52 1.098 5.061 0.594 1.00 52.23 H new ATOM 774 N ARG A 53 5.540 1.749 -2.029 1.00 14.22 N ATOM 775 CA ARG A 53 5.663 0.502 -2.699 1.00 60.21 C ATOM 776 C ARG A 53 4.889 -0.537 -1.974 1.00 50.22 C ATOM 777 O ARG A 53 5.265 -0.989 -0.899 1.00 62.11 O ATOM 778 CB ARG A 53 7.120 0.057 -2.890 1.00 44.35 C ATOM 779 CG ARG A 53 7.231 -1.335 -3.515 1.00 21.34 C ATOM 780 CD ARG A 53 8.665 -1.763 -3.734 1.00 53.33 C ATOM 781 NE ARG A 53 8.737 -3.166 -4.165 1.00 24.44 N ATOM 782 CZ ARG A 53 9.784 -3.739 -4.765 1.00 53.12 C ATOM 783 NH1 ARG A 53 10.807 -2.999 -5.189 1.00 0.53 N ATOM 784 NH2 ARG A 53 9.773 -5.054 -4.984 1.00 45.02 N ATOM 0 H ARG A 53 6.229 1.917 -1.296 1.00 14.22 H new ATOM 0 HA ARG A 53 5.254 0.636 -3.700 1.00 60.21 H new ATOM 0 HB2 ARG A 53 7.637 0.778 -3.523 1.00 44.35 H new ATOM 0 HB3 ARG A 53 7.627 0.060 -1.925 1.00 44.35 H new ATOM 0 HG2 ARG A 53 6.734 -2.059 -2.870 1.00 21.34 H new ATOM 0 HG3 ARG A 53 6.704 -1.344 -4.469 1.00 21.34 H new ATOM 0 HD2 ARG A 53 9.128 -1.124 -4.486 1.00 53.33 H new ATOM 0 HD3 ARG A 53 9.232 -1.633 -2.812 1.00 53.33 H new ATOM 0 HE ARG A 53 7.920 -3.751 -3.992 1.00 24.44 H new ATOM 0 HH11 ARG A 53 10.794 -1.988 -5.056 1.00 0.53 H new ATOM 0 HH12 ARG A 53 11.603 -3.444 -5.646 1.00 0.53 H new ATOM 0 HH21 ARG A 53 8.970 -5.613 -4.694 1.00 45.02 H new ATOM 0 HH22 ARG A 53 10.567 -5.502 -5.441 1.00 45.02 H new ATOM 798 N TRP A 54 3.824 -0.904 -2.549 1.00 43.44 N ATOM 799 CA TRP A 54 3.041 -1.929 -2.028 1.00 55.44 C ATOM 800 C TRP A 54 3.452 -3.204 -2.717 1.00 11.23 C ATOM 801 O TRP A 54 3.205 -3.393 -3.920 1.00 33.53 O ATOM 802 CB TRP A 54 1.540 -1.620 -2.185 1.00 61.45 C ATOM 803 CG TRP A 54 0.654 -2.826 -1.951 1.00 4.44 C ATOM 804 CD1 TRP A 54 -0.261 -3.342 -2.813 1.00 31.22 C ATOM 805 CD2 TRP A 54 0.645 -3.694 -0.801 1.00 74.43 C ATOM 806 NE1 TRP A 54 -0.819 -4.477 -2.290 1.00 2.12 N ATOM 807 CE2 TRP A 54 -0.283 -4.716 -1.059 1.00 34.45 C ATOM 808 CE3 TRP A 54 1.333 -3.708 0.410 1.00 34.33 C ATOM 809 CZ2 TRP A 54 -0.532 -5.746 -0.154 1.00 71.41 C ATOM 810 CZ3 TRP A 54 1.082 -4.720 1.307 1.00 75.03 C ATOM 811 CH2 TRP A 54 0.163 -5.730 1.022 1.00 13.23 C ATOM 0 H TRP A 54 3.467 -0.492 -3.411 1.00 43.44 H new ATOM 0 HA TRP A 54 3.200 -2.034 -0.955 1.00 55.44 H new ATOM 0 HB2 TRP A 54 1.263 -0.832 -1.484 1.00 61.45 H new ATOM 0 HB3 TRP A 54 1.358 -1.233 -3.188 1.00 61.45 H new ATOM 0 HD1 TRP A 54 -0.512 -2.917 -3.774 1.00 31.22 H new ATOM 0 HE1 TRP A 54 -1.525 -5.053 -2.749 1.00 2.12 H new ATOM 0 HE3 TRP A 54 2.052 -2.936 0.641 1.00 34.33 H new ATOM 0 HZ2 TRP A 54 -1.246 -6.526 -0.374 1.00 71.41 H new ATOM 0 HZ3 TRP A 54 1.607 -4.733 2.251 1.00 75.03 H new ATOM 0 HH2 TRP A 54 -0.002 -6.515 1.745 1.00 13.23 H new ATOM 822 N ASP A 55 4.141 -4.030 -1.993 1.00 23.20 N ATOM 823 CA ASP A 55 4.587 -5.276 -2.522 1.00 32.54 C ATOM 824 C ASP A 55 3.720 -6.350 -1.895 1.00 63.22 C ATOM 825 O ASP A 55 2.836 -6.032 -1.114 1.00 44.02 O ATOM 826 CB ASP A 55 6.080 -5.494 -2.225 1.00 1.30 C ATOM 827 CG ASP A 55 6.717 -6.477 -3.184 1.00 2.44 C ATOM 828 OD1 ASP A 55 6.574 -7.695 -3.000 1.00 61.34 O ATOM 829 OD2 ASP A 55 7.357 -6.037 -4.172 1.00 4.13 O ATOM 0 H ASP A 55 4.408 -3.859 -1.024 1.00 23.20 H new ATOM 0 HA ASP A 55 4.491 -5.303 -3.607 1.00 32.54 H new ATOM 0 HB2 ASP A 55 6.604 -4.540 -2.285 1.00 1.30 H new ATOM 0 HB3 ASP A 55 6.196 -5.858 -1.204 1.00 1.30 H new ATOM 834 N GLY A 56 3.984 -7.583 -2.144 1.00 35.32 N ATOM 835 CA GLY A 56 3.064 -8.603 -1.721 1.00 42.11 C ATOM 836 C GLY A 56 3.277 -9.128 -0.327 1.00 33.21 C ATOM 837 O GLY A 56 3.451 -10.340 -0.149 1.00 42.51 O ATOM 0 H GLY A 56 4.815 -7.917 -2.631 1.00 35.32 H new ATOM 0 HA2 GLY A 56 2.051 -8.206 -1.790 1.00 42.11 H new ATOM 0 HA3 GLY A 56 3.128 -9.438 -2.419 1.00 42.11 H new ATOM 841 N GLN A 57 3.244 -8.229 0.644 1.00 21.10 N ATOM 842 CA GLN A 57 3.346 -8.565 2.057 1.00 41.22 C ATOM 843 C GLN A 57 3.255 -7.298 2.892 1.00 63.40 C ATOM 844 O GLN A 57 2.290 -7.092 3.632 1.00 64.23 O ATOM 845 CB GLN A 57 4.643 -9.318 2.395 1.00 13.13 C ATOM 846 CG GLN A 57 4.683 -9.817 3.827 1.00 42.13 C ATOM 847 CD GLN A 57 5.916 -10.619 4.127 1.00 5.41 C ATOM 848 OE1 GLN A 57 5.936 -11.831 3.948 1.00 53.34 O ATOM 849 NE2 GLN A 57 6.941 -9.971 4.585 1.00 70.52 N ATOM 0 H GLN A 57 3.144 -7.229 0.470 1.00 21.10 H new ATOM 0 HA GLN A 57 2.517 -9.233 2.291 1.00 41.22 H new ATOM 0 HB2 GLN A 57 4.752 -10.165 1.718 1.00 13.13 H new ATOM 0 HB3 GLN A 57 5.494 -8.660 2.222 1.00 13.13 H new ATOM 0 HG2 GLN A 57 4.634 -8.965 4.506 1.00 42.13 H new ATOM 0 HG3 GLN A 57 3.801 -10.428 4.019 1.00 42.13 H new ATOM 0 HE21 GLN A 57 6.887 -8.962 4.721 1.00 70.52 H new ATOM 0 HE22 GLN A 57 7.802 -10.471 4.809 1.00 70.52 H new ATOM 858 N VAL A 58 4.243 -6.436 2.754 1.00 3.14 N ATOM 859 CA VAL A 58 4.289 -5.212 3.522 1.00 14.01 C ATOM 860 C VAL A 58 4.224 -4.020 2.598 1.00 42.20 C ATOM 861 O VAL A 58 4.552 -4.123 1.403 1.00 61.51 O ATOM 862 CB VAL A 58 5.570 -5.102 4.420 1.00 42.25 C ATOM 863 CG1 VAL A 58 5.644 -6.244 5.421 1.00 23.41 C ATOM 864 CG2 VAL A 58 6.844 -5.044 3.579 1.00 60.24 C ATOM 0 H VAL A 58 5.027 -6.563 2.114 1.00 3.14 H new ATOM 0 HA VAL A 58 3.425 -5.227 4.186 1.00 14.01 H new ATOM 0 HB VAL A 58 5.491 -4.167 4.975 1.00 42.25 H new ATOM 0 HG11 VAL A 58 6.543 -6.138 6.028 1.00 23.41 H new ATOM 0 HG12 VAL A 58 4.766 -6.220 6.066 1.00 23.41 H new ATOM 0 HG13 VAL A 58 5.676 -7.194 4.887 1.00 23.41 H new ATOM 0 HG21 VAL A 58 7.710 -4.968 4.236 1.00 60.24 H new ATOM 0 HG22 VAL A 58 6.924 -5.949 2.976 1.00 60.24 H new ATOM 0 HG23 VAL A 58 6.808 -4.174 2.924 1.00 60.24 H new ATOM 874 N ALA A 59 3.788 -2.914 3.127 1.00 33.32 N ATOM 875 CA ALA A 59 3.725 -1.704 2.372 1.00 20.11 C ATOM 876 C ALA A 59 4.948 -0.881 2.699 1.00 34.34 C ATOM 877 O ALA A 59 5.113 -0.389 3.819 1.00 3.01 O ATOM 878 CB ALA A 59 2.433 -0.952 2.649 1.00 51.31 C ATOM 0 H ALA A 59 3.468 -2.829 4.092 1.00 33.32 H new ATOM 0 HA ALA A 59 3.720 -1.925 1.305 1.00 20.11 H new ATOM 0 HB1 ALA A 59 2.413 -0.035 2.060 1.00 51.31 H new ATOM 0 HB2 ALA A 59 1.583 -1.577 2.377 1.00 51.31 H new ATOM 0 HB3 ALA A 59 2.376 -0.704 3.709 1.00 51.31 H new ATOM 884 N LEU A 60 5.808 -0.787 1.750 1.00 63.31 N ATOM 885 CA LEU A 60 7.070 -0.131 1.891 1.00 4.25 C ATOM 886 C LEU A 60 6.940 1.350 1.567 1.00 4.21 C ATOM 887 O LEU A 60 6.523 1.731 0.478 1.00 32.13 O ATOM 888 CB LEU A 60 8.063 -0.801 0.955 1.00 53.21 C ATOM 889 CG LEU A 60 9.480 -0.260 0.939 1.00 75.45 C ATOM 890 CD1 LEU A 60 10.160 -0.473 2.284 1.00 25.23 C ATOM 891 CD2 LEU A 60 10.247 -0.928 -0.173 1.00 42.32 C ATOM 0 H LEU A 60 5.653 -1.176 0.820 1.00 63.31 H new ATOM 0 HA LEU A 60 7.420 -0.213 2.920 1.00 4.25 H new ATOM 0 HB2 LEU A 60 8.109 -1.859 1.214 1.00 53.21 H new ATOM 0 HB3 LEU A 60 7.667 -0.738 -0.058 1.00 53.21 H new ATOM 0 HG LEU A 60 9.455 0.815 0.760 1.00 75.45 H new ATOM 0 HD11 LEU A 60 11.175 -0.076 2.246 1.00 25.23 H new ATOM 0 HD12 LEU A 60 9.598 0.043 3.062 1.00 25.23 H new ATOM 0 HD13 LEU A 60 10.196 -1.539 2.509 1.00 25.23 H new ATOM 0 HD21 LEU A 60 11.267 -0.545 -0.192 1.00 42.32 H new ATOM 0 HD22 LEU A 60 10.267 -2.005 -0.006 1.00 42.32 H new ATOM 0 HD23 LEU A 60 9.763 -0.718 -1.127 1.00 42.32 H new ATOM 903 N LEU A 61 7.296 2.156 2.497 1.00 41.24 N ATOM 904 CA LEU A 61 7.218 3.577 2.359 1.00 43.50 C ATOM 905 C LEU A 61 8.617 4.091 2.103 1.00 73.53 C ATOM 906 O LEU A 61 9.535 3.787 2.860 1.00 1.34 O ATOM 907 CB LEU A 61 6.623 4.147 3.677 1.00 35.23 C ATOM 908 CG LEU A 61 6.284 5.663 3.804 1.00 33.43 C ATOM 909 CD1 LEU A 61 7.508 6.577 3.759 1.00 63.42 C ATOM 910 CD2 LEU A 61 5.263 6.065 2.757 1.00 25.33 C ATOM 0 H LEU A 61 7.659 1.848 3.399 1.00 41.24 H new ATOM 0 HA LEU A 61 6.580 3.884 1.530 1.00 43.50 H new ATOM 0 HB2 LEU A 61 5.706 3.595 3.881 1.00 35.23 H new ATOM 0 HB3 LEU A 61 7.324 3.907 4.476 1.00 35.23 H new ATOM 0 HG LEU A 61 5.856 5.799 4.797 1.00 33.43 H new ATOM 0 HD11 LEU A 61 7.190 7.615 3.853 1.00 63.42 H new ATOM 0 HD12 LEU A 61 8.179 6.327 4.581 1.00 63.42 H new ATOM 0 HD13 LEU A 61 8.029 6.441 2.811 1.00 63.42 H new ATOM 0 HD21 LEU A 61 5.036 7.126 2.858 1.00 25.33 H new ATOM 0 HD22 LEU A 61 5.667 5.874 1.763 1.00 25.33 H new ATOM 0 HD23 LEU A 61 4.351 5.484 2.896 1.00 25.33 H new ATOM 922 N ALA A 62 8.790 4.825 1.039 1.00 55.53 N ATOM 923 CA ALA A 62 10.065 5.417 0.746 1.00 20.21 C ATOM 924 C ALA A 62 9.884 6.866 0.351 1.00 65.31 C ATOM 925 O ALA A 62 9.118 7.182 -0.573 1.00 73.45 O ATOM 926 CB ALA A 62 10.798 4.638 -0.328 1.00 33.25 C ATOM 0 H ALA A 62 8.059 5.028 0.357 1.00 55.53 H new ATOM 0 HA ALA A 62 10.680 5.380 1.645 1.00 20.21 H new ATOM 0 HB1 ALA A 62 11.760 5.111 -0.528 1.00 33.25 H new ATOM 0 HB2 ALA A 62 10.960 3.615 0.011 1.00 33.25 H new ATOM 0 HB3 ALA A 62 10.202 4.628 -1.241 1.00 33.25 H new ATOM 932 N ASP A 63 10.568 7.727 1.049 1.00 74.52 N ATOM 933 CA ASP A 63 10.497 9.164 0.820 1.00 53.32 C ATOM 934 C ASP A 63 11.483 9.543 -0.249 1.00 12.23 C ATOM 935 O ASP A 63 12.603 9.012 -0.281 1.00 4.00 O ATOM 936 CB ASP A 63 10.801 9.923 2.115 1.00 43.04 C ATOM 937 CG ASP A 63 10.895 11.427 1.935 1.00 12.13 C ATOM 938 OD1 ASP A 63 9.843 12.085 1.817 1.00 61.45 O ATOM 939 OD2 ASP A 63 12.022 11.965 1.987 1.00 5.24 O ATOM 0 H ASP A 63 11.201 7.461 1.804 1.00 74.52 H new ATOM 0 HA ASP A 63 9.491 9.430 0.495 1.00 53.32 H new ATOM 0 HB2 ASP A 63 10.023 9.702 2.846 1.00 43.04 H new ATOM 0 HB3 ASP A 63 11.741 9.556 2.528 1.00 43.04 H new ATOM 944 N LEU A 64 11.083 10.400 -1.140 1.00 13.35 N ATOM 945 CA LEU A 64 11.936 10.798 -2.204 1.00 21.44 C ATOM 946 C LEU A 64 11.884 12.316 -2.345 1.00 23.04 C ATOM 947 O LEU A 64 11.285 12.855 -3.263 1.00 31.41 O ATOM 948 CB LEU A 64 11.457 10.077 -3.493 1.00 12.34 C ATOM 949 CG LEU A 64 12.259 10.286 -4.771 1.00 11.24 C ATOM 950 CD1 LEU A 64 13.733 9.993 -4.533 1.00 4.23 C ATOM 951 CD2 LEU A 64 11.730 9.365 -5.852 1.00 3.25 C ATOM 0 H LEU A 64 10.161 10.837 -1.145 1.00 13.35 H new ATOM 0 HA LEU A 64 12.973 10.522 -2.013 1.00 21.44 H new ATOM 0 HB2 LEU A 64 11.431 9.007 -3.287 1.00 12.34 H new ATOM 0 HB3 LEU A 64 10.431 10.389 -3.688 1.00 12.34 H new ATOM 0 HG LEU A 64 12.156 11.325 -5.084 1.00 11.24 H new ATOM 0 HD11 LEU A 64 14.289 10.148 -5.458 1.00 4.23 H new ATOM 0 HD12 LEU A 64 14.117 10.661 -3.762 1.00 4.23 H new ATOM 0 HD13 LEU A 64 13.851 8.959 -4.208 1.00 4.23 H new ATOM 0 HD21 LEU A 64 12.302 9.513 -6.768 1.00 3.25 H new ATOM 0 HD22 LEU A 64 11.826 8.329 -5.527 1.00 3.25 H new ATOM 0 HD23 LEU A 64 10.680 9.590 -6.040 1.00 3.25 H new ATOM 963 N ASN A 65 12.547 12.988 -1.450 1.00 71.40 N ATOM 964 CA ASN A 65 12.576 14.436 -1.426 1.00 71.52 C ATOM 965 C ASN A 65 13.568 14.835 -0.373 1.00 3.44 C ATOM 966 O ASN A 65 13.682 14.172 0.647 1.00 24.13 O ATOM 967 CB ASN A 65 11.164 14.995 -1.094 1.00 71.45 C ATOM 968 CG ASN A 65 10.988 16.490 -1.367 1.00 15.54 C ATOM 969 OD1 ASN A 65 11.902 17.305 -1.212 1.00 53.33 O ATOM 970 ND2 ASN A 65 9.799 16.865 -1.760 1.00 71.44 N ATOM 0 H ASN A 65 13.090 12.550 -0.706 1.00 71.40 H new ATOM 0 HA ASN A 65 12.865 14.840 -2.396 1.00 71.52 H new ATOM 0 HB2 ASN A 65 10.424 14.444 -1.675 1.00 71.45 H new ATOM 0 HB3 ASN A 65 10.951 14.804 -0.042 1.00 71.45 H new ATOM 0 HD21 ASN A 65 9.610 17.850 -1.946 1.00 71.44 H new ATOM 0 HD22 ASN A 65 9.060 16.173 -1.881 1.00 71.44 H new ATOM 977 N SER A 66 14.310 15.868 -0.605 1.00 41.12 N ATOM 978 CA SER A 66 15.321 16.244 0.333 1.00 61.43 C ATOM 979 C SER A 66 14.803 17.325 1.289 1.00 34.44 C ATOM 980 O SER A 66 14.927 17.199 2.510 1.00 21.42 O ATOM 981 CB SER A 66 16.584 16.702 -0.414 1.00 50.10 C ATOM 982 OG SER A 66 17.677 16.924 0.467 1.00 54.20 O ATOM 0 H SER A 66 14.238 16.464 -1.429 1.00 41.12 H new ATOM 0 HA SER A 66 15.583 15.378 0.940 1.00 61.43 H new ATOM 0 HB2 SER A 66 16.861 15.949 -1.152 1.00 50.10 H new ATOM 0 HB3 SER A 66 16.368 17.620 -0.961 1.00 50.10 H new ATOM 0 HG SER A 66 18.459 17.212 -0.048 1.00 54.20 H new ATOM 988 N THR A 67 14.178 18.353 0.751 1.00 25.25 N ATOM 989 CA THR A 67 13.767 19.483 1.569 1.00 54.15 C ATOM 990 C THR A 67 12.352 19.291 2.168 1.00 60.44 C ATOM 991 O THR A 67 11.945 20.000 3.084 1.00 53.53 O ATOM 992 CB THR A 67 13.895 20.826 0.769 1.00 1.20 C ATOM 993 OG1 THR A 67 13.615 21.965 1.593 1.00 52.41 O ATOM 994 CG2 THR A 67 12.987 20.854 -0.447 1.00 54.53 C ATOM 0 H THR A 67 13.944 18.432 -0.239 1.00 25.25 H new ATOM 0 HA THR A 67 14.448 19.538 2.418 1.00 54.15 H new ATOM 0 HB THR A 67 14.931 20.877 0.433 1.00 1.20 H new ATOM 0 HG1 THR A 67 13.030 21.698 2.333 1.00 52.41 H new ATOM 0 HG21 THR A 67 13.109 21.802 -0.970 1.00 54.53 H new ATOM 0 HG22 THR A 67 13.249 20.034 -1.116 1.00 54.53 H new ATOM 0 HG23 THR A 67 11.950 20.746 -0.129 1.00 54.53 H new ATOM 1002 N ASN A 68 11.632 18.312 1.682 1.00 20.32 N ATOM 1003 CA ASN A 68 10.263 18.070 2.167 1.00 43.31 C ATOM 1004 C ASN A 68 10.125 16.673 2.732 1.00 51.42 C ATOM 1005 O ASN A 68 9.017 16.139 2.753 1.00 52.25 O ATOM 1006 CB ASN A 68 9.225 18.245 1.047 1.00 40.25 C ATOM 1007 CG ASN A 68 9.177 19.622 0.434 1.00 14.31 C ATOM 1008 OD1 ASN A 68 9.939 19.834 -0.606 1.00 33.22 O flip ATOM 1009 ND2 ASN A 68 8.442 20.489 0.890 1.00 24.22 N flip ATOM 0 H ASN A 68 11.950 17.667 0.959 1.00 20.32 H new ATOM 0 HA ASN A 68 10.077 18.806 2.949 1.00 43.31 H new ATOM 0 HB2 ASN A 68 9.435 17.520 0.260 1.00 40.25 H new ATOM 0 HB3 ASN A 68 8.239 18.006 1.445 1.00 40.25 H new ATOM 0 HD21 ASN A 68 7.860 20.288 1.704 1.00 24.22 H new ATOM 0 HD22 ASN A 68 8.411 21.412 0.456 1.00 24.22 H new ATOM 1016 N GLY A 69 11.245 16.121 3.235 1.00 72.44 N ATOM 1017 CA GLY A 69 11.300 14.733 3.749 1.00 14.12 C ATOM 1018 C GLY A 69 10.102 14.349 4.614 1.00 13.13 C ATOM 1019 O GLY A 69 9.891 14.911 5.703 1.00 13.33 O ATOM 0 H GLY A 69 12.134 16.618 3.298 1.00 72.44 H new ATOM 0 HA2 GLY A 69 11.363 14.045 2.906 1.00 14.12 H new ATOM 0 HA3 GLY A 69 12.212 14.607 4.332 1.00 14.12 H new ATOM 1023 N THR A 70 9.330 13.421 4.103 1.00 55.23 N ATOM 1024 CA THR A 70 8.091 12.962 4.684 1.00 65.43 C ATOM 1025 C THR A 70 8.294 12.288 6.048 1.00 44.15 C ATOM 1026 O THR A 70 9.318 11.625 6.311 1.00 44.02 O ATOM 1027 CB THR A 70 7.403 11.993 3.709 1.00 63.53 C ATOM 1028 OG1 THR A 70 7.331 12.616 2.416 1.00 23.22 O ATOM 1029 CG2 THR A 70 5.994 11.629 4.177 1.00 41.21 C ATOM 0 H THR A 70 9.558 12.943 3.231 1.00 55.23 H new ATOM 0 HA THR A 70 7.461 13.834 4.856 1.00 65.43 H new ATOM 0 HB THR A 70 7.987 11.074 3.664 1.00 63.53 H new ATOM 0 HG1 THR A 70 8.169 12.462 1.931 1.00 23.22 H new ATOM 0 HG21 THR A 70 5.539 10.943 3.463 1.00 41.21 H new ATOM 0 HG22 THR A 70 6.048 11.152 5.155 1.00 41.21 H new ATOM 0 HG23 THR A 70 5.389 12.533 4.247 1.00 41.21 H new ATOM 1037 N THR A 71 7.317 12.458 6.905 1.00 35.12 N ATOM 1038 CA THR A 71 7.380 11.931 8.219 1.00 10.53 C ATOM 1039 C THR A 71 6.418 10.783 8.428 1.00 62.10 C ATOM 1040 O THR A 71 5.301 10.800 7.921 1.00 61.30 O ATOM 1041 CB THR A 71 7.107 13.034 9.252 1.00 1.34 C ATOM 1042 OG1 THR A 71 5.900 13.759 8.925 1.00 25.23 O ATOM 1043 CG2 THR A 71 8.258 13.987 9.295 1.00 63.30 C ATOM 0 H THR A 71 6.459 12.969 6.697 1.00 35.12 H new ATOM 0 HA THR A 71 8.389 11.542 8.356 1.00 10.53 H new ATOM 0 HB THR A 71 6.981 12.563 10.227 1.00 1.34 H new ATOM 0 HG1 THR A 71 5.600 13.507 8.027 1.00 25.23 H new ATOM 0 HG21 THR A 71 8.058 14.767 10.030 1.00 63.30 H new ATOM 0 HG22 THR A 71 9.165 13.450 9.574 1.00 63.30 H new ATOM 0 HG23 THR A 71 8.392 14.440 8.313 1.00 63.30 H new ATOM 1051 N VAL A 72 6.872 9.801 9.148 1.00 20.14 N ATOM 1052 CA VAL A 72 6.070 8.693 9.582 1.00 13.10 C ATOM 1053 C VAL A 72 6.092 8.735 11.099 1.00 64.11 C ATOM 1054 O VAL A 72 7.161 8.801 11.713 1.00 75.31 O ATOM 1055 CB VAL A 72 6.597 7.320 9.050 1.00 10.34 C ATOM 1056 CG1 VAL A 72 6.496 7.289 7.540 1.00 52.12 C ATOM 1057 CG2 VAL A 72 8.039 7.129 9.452 1.00 63.02 C ATOM 0 H VAL A 72 7.842 9.746 9.460 1.00 20.14 H new ATOM 0 HA VAL A 72 5.058 8.780 9.185 1.00 13.10 H new ATOM 0 HB VAL A 72 5.993 6.520 9.478 1.00 10.34 H new ATOM 0 HG11 VAL A 72 6.864 6.332 7.170 1.00 52.12 H new ATOM 0 HG12 VAL A 72 5.455 7.418 7.242 1.00 52.12 H new ATOM 0 HG13 VAL A 72 7.096 8.095 7.119 1.00 52.12 H new ATOM 0 HG21 VAL A 72 8.397 6.170 9.077 1.00 63.02 H new ATOM 0 HG22 VAL A 72 8.644 7.932 9.031 1.00 63.02 H new ATOM 0 HG23 VAL A 72 8.119 7.146 10.539 1.00 63.02 H new ATOM 1067 N ASN A 73 4.925 8.829 11.688 1.00 1.14 N ATOM 1068 CA ASN A 73 4.762 8.963 13.151 1.00 3.23 C ATOM 1069 C ASN A 73 5.411 10.267 13.607 1.00 45.24 C ATOM 1070 O ASN A 73 5.829 10.408 14.759 1.00 51.00 O ATOM 1071 CB ASN A 73 5.365 7.757 13.914 1.00 14.33 C ATOM 1072 CG ASN A 73 4.758 6.443 13.492 1.00 74.43 C ATOM 1073 OD1 ASN A 73 5.354 5.829 12.516 1.00 60.33 O flip ATOM 1074 ND2 ASN A 73 3.760 5.984 14.050 1.00 41.15 N flip ATOM 0 H ASN A 73 4.042 8.816 11.178 1.00 1.14 H new ATOM 0 HA ASN A 73 3.696 8.980 13.380 1.00 3.23 H new ATOM 0 HB2 ASN A 73 6.442 7.727 13.746 1.00 14.33 H new ATOM 0 HB3 ASN A 73 5.213 7.896 14.984 1.00 14.33 H new ATOM 0 HD21 ASN A 73 3.321 6.498 14.814 1.00 41.15 H new ATOM 0 HD22 ASN A 73 3.373 5.090 13.748 1.00 41.15 H new ATOM 1081 N ASN A 74 5.487 11.224 12.651 1.00 15.14 N ATOM 1082 CA ASN A 74 6.062 12.569 12.838 1.00 41.11 C ATOM 1083 C ASN A 74 7.616 12.546 12.770 1.00 63.00 C ATOM 1084 O ASN A 74 8.284 13.563 12.922 1.00 13.23 O ATOM 1085 CB ASN A 74 5.477 13.261 14.117 1.00 40.14 C ATOM 1086 CG ASN A 74 5.973 14.675 14.388 1.00 75.32 C ATOM 1087 OD1 ASN A 74 5.421 15.647 13.867 1.00 44.13 O ATOM 1088 ND2 ASN A 74 6.947 14.808 15.255 1.00 4.03 N ATOM 0 H ASN A 74 5.139 11.073 11.704 1.00 15.14 H new ATOM 0 HA ASN A 74 5.756 13.198 12.002 1.00 41.11 H new ATOM 0 HB2 ASN A 74 4.391 13.287 14.029 1.00 40.14 H new ATOM 0 HB3 ASN A 74 5.712 12.641 14.982 1.00 40.14 H new ATOM 0 HD21 ASN A 74 7.271 15.738 15.519 1.00 4.03 H new ATOM 0 HD22 ASN A 74 7.380 13.981 15.666 1.00 4.03 H new ATOM 1095 N ALA A 75 8.179 11.386 12.463 1.00 34.05 N ATOM 1096 CA ALA A 75 9.624 11.251 12.303 1.00 10.21 C ATOM 1097 C ALA A 75 9.976 11.111 10.811 1.00 5.43 C ATOM 1098 O ALA A 75 9.414 10.262 10.123 1.00 42.31 O ATOM 1099 CB ALA A 75 10.137 10.048 13.090 1.00 71.42 C ATOM 0 H ALA A 75 7.657 10.521 12.319 1.00 34.05 H new ATOM 0 HA ALA A 75 10.107 12.146 12.694 1.00 10.21 H new ATOM 0 HB1 ALA A 75 11.216 9.961 12.960 1.00 71.42 H new ATOM 0 HB2 ALA A 75 9.908 10.181 14.147 1.00 71.42 H new ATOM 0 HB3 ALA A 75 9.654 9.142 12.725 1.00 71.42 H new ATOM 1105 N PRO A 76 10.864 11.972 10.276 1.00 73.54 N ATOM 1106 CA PRO A 76 11.273 11.902 8.869 1.00 53.53 C ATOM 1107 C PRO A 76 12.207 10.724 8.614 1.00 1.04 C ATOM 1108 O PRO A 76 13.190 10.513 9.346 1.00 4.34 O ATOM 1109 CB PRO A 76 11.985 13.234 8.625 1.00 41.10 C ATOM 1110 CG PRO A 76 12.452 13.686 9.967 1.00 25.42 C ATOM 1111 CD PRO A 76 11.529 13.078 10.992 1.00 62.31 C ATOM 0 HA PRO A 76 10.427 11.748 8.199 1.00 53.53 H new ATOM 0 HB2 PRO A 76 12.823 13.112 7.938 1.00 41.10 H new ATOM 0 HB3 PRO A 76 11.310 13.964 8.178 1.00 41.10 H new ATOM 0 HG2 PRO A 76 13.481 13.371 10.142 1.00 25.42 H new ATOM 0 HG3 PRO A 76 12.436 14.774 10.033 1.00 25.42 H new ATOM 0 HD2 PRO A 76 12.081 12.715 11.859 1.00 62.31 H new ATOM 0 HD3 PRO A 76 10.806 13.807 11.357 1.00 62.31 H new ATOM 1119 N VAL A 77 11.908 9.959 7.599 1.00 32.05 N ATOM 1120 CA VAL A 77 12.668 8.749 7.296 1.00 13.02 C ATOM 1121 C VAL A 77 12.960 8.659 5.811 1.00 11.24 C ATOM 1122 O VAL A 77 12.288 9.303 5.005 1.00 54.11 O ATOM 1123 CB VAL A 77 11.887 7.465 7.707 1.00 31.32 C ATOM 1124 CG1 VAL A 77 11.656 7.408 9.212 1.00 53.22 C ATOM 1125 CG2 VAL A 77 10.558 7.388 6.956 1.00 11.44 C ATOM 0 H VAL A 77 11.139 10.144 6.955 1.00 32.05 H new ATOM 0 HA VAL A 77 13.596 8.811 7.865 1.00 13.02 H new ATOM 0 HB VAL A 77 12.496 6.603 7.435 1.00 31.32 H new ATOM 0 HG11 VAL A 77 11.109 6.499 9.462 1.00 53.22 H new ATOM 0 HG12 VAL A 77 12.616 7.407 9.728 1.00 53.22 H new ATOM 0 HG13 VAL A 77 11.078 8.277 9.525 1.00 53.22 H new ATOM 0 HG21 VAL A 77 10.024 6.486 7.254 1.00 11.44 H new ATOM 0 HG22 VAL A 77 9.954 8.263 7.195 1.00 11.44 H new ATOM 0 HG23 VAL A 77 10.748 7.360 5.883 1.00 11.44 H new ATOM 1135 N GLN A 78 13.965 7.885 5.461 1.00 3.45 N ATOM 1136 CA GLN A 78 14.268 7.611 4.070 1.00 31.14 C ATOM 1137 C GLN A 78 13.354 6.491 3.573 1.00 64.35 C ATOM 1138 O GLN A 78 12.842 6.535 2.454 1.00 73.23 O ATOM 1139 CB GLN A 78 15.778 7.268 3.846 1.00 41.53 C ATOM 1140 CG GLN A 78 16.310 5.940 4.453 1.00 22.02 C ATOM 1141 CD GLN A 78 16.176 5.832 5.969 1.00 31.41 C ATOM 1142 OE1 GLN A 78 16.198 6.829 6.679 1.00 4.04 O ATOM 1143 NE2 GLN A 78 16.038 4.631 6.466 1.00 10.21 N ATOM 0 H GLN A 78 14.591 7.431 6.126 1.00 3.45 H new ATOM 0 HA GLN A 78 14.081 8.514 3.489 1.00 31.14 H new ATOM 0 HB2 GLN A 78 15.962 7.244 2.772 1.00 41.53 H new ATOM 0 HB3 GLN A 78 16.373 8.086 4.253 1.00 41.53 H new ATOM 0 HG2 GLN A 78 15.776 5.108 3.995 1.00 22.02 H new ATOM 0 HG3 GLN A 78 17.361 5.830 4.186 1.00 22.02 H new ATOM 0 HE21 GLN A 78 16.024 3.821 5.846 1.00 10.21 H new ATOM 0 HE22 GLN A 78 15.945 4.504 7.474 1.00 10.21 H new ATOM 1152 N GLU A 79 13.120 5.514 4.438 1.00 75.11 N ATOM 1153 CA GLU A 79 12.232 4.423 4.160 1.00 4.33 C ATOM 1154 C GLU A 79 11.685 3.904 5.466 1.00 31.25 C ATOM 1155 O GLU A 79 12.309 4.089 6.521 1.00 12.04 O ATOM 1156 CB GLU A 79 12.906 3.296 3.360 1.00 0.34 C ATOM 1157 CG GLU A 79 14.054 2.598 4.063 1.00 63.43 C ATOM 1158 CD GLU A 79 14.613 1.481 3.231 1.00 70.40 C ATOM 1159 OE1 GLU A 79 14.081 0.350 3.296 1.00 24.35 O ATOM 1160 OE2 GLU A 79 15.572 1.720 2.469 1.00 11.43 O ATOM 0 H GLU A 79 13.553 5.468 5.360 1.00 75.11 H new ATOM 0 HA GLU A 79 11.422 4.792 3.531 1.00 4.33 H new ATOM 0 HB2 GLU A 79 12.151 2.552 3.106 1.00 0.34 H new ATOM 0 HB3 GLU A 79 13.274 3.710 2.421 1.00 0.34 H new ATOM 0 HG2 GLU A 79 14.841 3.320 4.280 1.00 63.43 H new ATOM 0 HG3 GLU A 79 13.710 2.204 5.019 1.00 63.43 H new ATOM 1167 N TRP A 80 10.545 3.288 5.401 1.00 62.43 N ATOM 1168 CA TRP A 80 9.844 2.796 6.555 1.00 73.24 C ATOM 1169 C TRP A 80 8.864 1.744 6.101 1.00 13.42 C ATOM 1170 O TRP A 80 8.399 1.792 4.969 1.00 32.04 O ATOM 1171 CB TRP A 80 9.124 3.994 7.196 1.00 51.25 C ATOM 1172 CG TRP A 80 8.255 3.740 8.371 1.00 13.24 C ATOM 1173 CD1 TRP A 80 6.925 3.467 8.356 1.00 13.04 C ATOM 1174 CD2 TRP A 80 8.632 3.832 9.741 1.00 21.20 C ATOM 1175 NE1 TRP A 80 6.459 3.366 9.626 1.00 43.45 N ATOM 1176 CE2 TRP A 80 7.482 3.586 10.497 1.00 50.02 C ATOM 1177 CE3 TRP A 80 9.832 4.094 10.404 1.00 53.52 C ATOM 1178 CZ2 TRP A 80 7.486 3.597 11.879 1.00 42.11 C ATOM 1179 CZ3 TRP A 80 9.834 4.111 11.780 1.00 62.32 C ATOM 1180 CH2 TRP A 80 8.662 3.861 12.500 1.00 45.41 C ATOM 0 H TRP A 80 10.060 3.107 4.522 1.00 62.43 H new ATOM 0 HA TRP A 80 10.515 2.345 7.286 1.00 73.24 H new ATOM 0 HB2 TRP A 80 9.882 4.719 7.493 1.00 51.25 H new ATOM 0 HB3 TRP A 80 8.514 4.467 6.426 1.00 51.25 H new ATOM 0 HD1 TRP A 80 6.327 3.348 7.465 1.00 13.04 H new ATOM 0 HE1 TRP A 80 5.495 3.158 9.887 1.00 43.45 H new ATOM 0 HE3 TRP A 80 10.740 4.279 9.849 1.00 53.52 H new ATOM 0 HZ2 TRP A 80 6.586 3.403 12.443 1.00 42.11 H new ATOM 0 HZ3 TRP A 80 10.752 4.320 12.310 1.00 62.32 H new ATOM 0 HH2 TRP A 80 8.694 3.879 13.579 1.00 45.41 H new ATOM 1191 N GLN A 81 8.588 0.781 6.919 1.00 24.50 N ATOM 1192 CA GLN A 81 7.581 -0.167 6.560 1.00 72.15 C ATOM 1193 C GLN A 81 6.305 0.186 7.286 1.00 63.23 C ATOM 1194 O GLN A 81 6.255 0.231 8.524 1.00 2.25 O ATOM 1195 CB GLN A 81 8.003 -1.648 6.742 1.00 44.32 C ATOM 1196 CG GLN A 81 8.254 -2.130 8.165 1.00 32.55 C ATOM 1197 CD GLN A 81 8.602 -3.608 8.203 1.00 51.00 C ATOM 1198 OE1 GLN A 81 8.180 -4.380 7.340 1.00 0.41 O ATOM 1199 NE2 GLN A 81 9.326 -4.023 9.208 1.00 43.14 N ATOM 0 H GLN A 81 9.035 0.630 7.823 1.00 24.50 H new ATOM 0 HA GLN A 81 7.414 -0.094 5.485 1.00 72.15 H new ATOM 0 HB2 GLN A 81 7.228 -2.277 6.304 1.00 44.32 H new ATOM 0 HB3 GLN A 81 8.912 -1.814 6.164 1.00 44.32 H new ATOM 0 HG2 GLN A 81 9.066 -1.553 8.607 1.00 32.55 H new ATOM 0 HG3 GLN A 81 7.367 -1.949 8.773 1.00 32.55 H new ATOM 0 HE21 GLN A 81 9.660 -3.358 9.905 1.00 43.14 H new ATOM 0 HE22 GLN A 81 9.558 -5.012 9.295 1.00 43.14 H new ATOM 1208 N LEU A 82 5.324 0.543 6.512 1.00 1.22 N ATOM 1209 CA LEU A 82 4.030 0.958 7.002 1.00 43.44 C ATOM 1210 C LEU A 82 3.347 -0.154 7.770 1.00 32.23 C ATOM 1211 O LEU A 82 3.515 -1.338 7.458 1.00 4.30 O ATOM 1212 CB LEU A 82 3.154 1.328 5.823 1.00 45.44 C ATOM 1213 CG LEU A 82 3.719 2.388 4.899 1.00 72.53 C ATOM 1214 CD1 LEU A 82 2.852 2.563 3.664 1.00 44.41 C ATOM 1215 CD2 LEU A 82 3.839 3.681 5.638 1.00 5.44 C ATOM 0 H LEU A 82 5.397 0.556 5.495 1.00 1.22 H new ATOM 0 HA LEU A 82 4.176 1.808 7.669 1.00 43.44 H new ATOM 0 HB2 LEU A 82 2.960 0.428 5.240 1.00 45.44 H new ATOM 0 HB3 LEU A 82 2.193 1.675 6.202 1.00 45.44 H new ATOM 0 HG LEU A 82 4.706 2.067 4.566 1.00 72.53 H new ATOM 0 HD11 LEU A 82 3.284 3.330 3.022 1.00 44.41 H new ATOM 0 HD12 LEU A 82 2.800 1.620 3.119 1.00 44.41 H new ATOM 0 HD13 LEU A 82 1.848 2.864 3.964 1.00 44.41 H new ATOM 0 HD21 LEU A 82 4.245 4.443 4.974 1.00 5.44 H new ATOM 0 HD22 LEU A 82 2.855 3.992 5.989 1.00 5.44 H new ATOM 0 HD23 LEU A 82 4.504 3.552 6.492 1.00 5.44 H new ATOM 1227 N ALA A 83 2.583 0.229 8.740 1.00 52.10 N ATOM 1228 CA ALA A 83 1.804 -0.679 9.530 1.00 3.22 C ATOM 1229 C ALA A 83 0.431 -0.076 9.663 1.00 22.41 C ATOM 1230 O ALA A 83 0.243 1.099 9.305 1.00 14.23 O ATOM 1231 CB ALA A 83 2.436 -0.871 10.902 1.00 3.55 C ATOM 0 H ALA A 83 2.478 1.206 9.015 1.00 52.10 H new ATOM 0 HA ALA A 83 1.754 -1.660 9.057 1.00 3.22 H new ATOM 0 HB1 ALA A 83 1.831 -1.563 11.488 1.00 3.55 H new ATOM 0 HB2 ALA A 83 3.441 -1.276 10.786 1.00 3.55 H new ATOM 0 HB3 ALA A 83 2.489 0.089 11.416 1.00 3.55 H new ATOM 1237 N ASP A 84 -0.517 -0.839 10.139 1.00 5.10 N ATOM 1238 CA ASP A 84 -1.862 -0.325 10.322 1.00 60.55 C ATOM 1239 C ASP A 84 -1.865 0.703 11.436 1.00 14.33 C ATOM 1240 O ASP A 84 -1.427 0.430 12.555 1.00 3.42 O ATOM 1241 CB ASP A 84 -2.863 -1.444 10.624 1.00 1.25 C ATOM 1242 CG ASP A 84 -4.284 -0.929 10.767 1.00 72.35 C ATOM 1243 OD1 ASP A 84 -4.970 -0.755 9.746 1.00 41.31 O ATOM 1244 OD2 ASP A 84 -4.741 -0.696 11.905 1.00 63.32 O ATOM 0 H ASP A 84 -0.391 -1.815 10.408 1.00 5.10 H new ATOM 0 HA ASP A 84 -2.175 0.145 9.390 1.00 60.55 H new ATOM 0 HB2 ASP A 84 -2.827 -2.185 9.825 1.00 1.25 H new ATOM 0 HB3 ASP A 84 -2.570 -1.952 11.543 1.00 1.25 H new ATOM 1249 N GLY A 85 -2.279 1.890 11.104 1.00 52.51 N ATOM 1250 CA GLY A 85 -2.327 2.962 12.049 1.00 71.12 C ATOM 1251 C GLY A 85 -1.052 3.767 12.070 1.00 30.24 C ATOM 1252 O GLY A 85 -0.771 4.461 13.064 1.00 32.33 O ATOM 0 H GLY A 85 -2.594 2.141 10.167 1.00 52.51 H new ATOM 0 HA2 GLY A 85 -3.164 3.618 11.808 1.00 71.12 H new ATOM 0 HA3 GLY A 85 -2.515 2.558 13.044 1.00 71.12 H new ATOM 1256 N ASP A 86 -0.253 3.660 11.006 1.00 25.12 N ATOM 1257 CA ASP A 86 0.977 4.457 10.919 1.00 53.25 C ATOM 1258 C ASP A 86 0.595 5.822 10.396 1.00 1.44 C ATOM 1259 O ASP A 86 -0.406 5.944 9.662 1.00 24.12 O ATOM 1260 CB ASP A 86 2.036 3.831 9.995 1.00 44.51 C ATOM 1261 CG ASP A 86 3.419 4.179 10.433 1.00 20.12 C ATOM 1262 OD1 ASP A 86 3.832 5.303 10.233 1.00 43.13 O ATOM 1263 OD2 ASP A 86 4.104 3.301 11.026 1.00 53.04 O ATOM 0 H ASP A 86 -0.427 3.046 10.210 1.00 25.12 H new ATOM 0 HA ASP A 86 1.426 4.509 11.911 1.00 53.25 H new ATOM 0 HB2 ASP A 86 1.918 2.747 9.986 1.00 44.51 H new ATOM 0 HB3 ASP A 86 1.879 4.177 8.973 1.00 44.51 H new ATOM 1268 N VAL A 87 1.355 6.827 10.731 1.00 40.23 N ATOM 1269 CA VAL A 87 0.984 8.185 10.391 1.00 10.33 C ATOM 1270 C VAL A 87 1.967 8.758 9.406 1.00 1.40 C ATOM 1271 O VAL A 87 3.109 9.002 9.745 1.00 43.02 O ATOM 1272 CB VAL A 87 0.970 9.094 11.644 1.00 22.11 C ATOM 1273 CG1 VAL A 87 0.457 10.484 11.303 1.00 71.30 C ATOM 1274 CG2 VAL A 87 0.153 8.474 12.762 1.00 25.31 C ATOM 0 H VAL A 87 2.235 6.739 11.239 1.00 40.23 H new ATOM 0 HA VAL A 87 -0.016 8.151 9.958 1.00 10.33 H new ATOM 0 HB VAL A 87 1.997 9.191 11.996 1.00 22.11 H new ATOM 0 HG11 VAL A 87 0.457 11.102 12.201 1.00 71.30 H new ATOM 0 HG12 VAL A 87 1.103 10.936 10.551 1.00 71.30 H new ATOM 0 HG13 VAL A 87 -0.558 10.412 10.913 1.00 71.30 H new ATOM 0 HG21 VAL A 87 0.162 9.135 13.629 1.00 25.31 H new ATOM 0 HG22 VAL A 87 -0.874 8.330 12.426 1.00 25.31 H new ATOM 0 HG23 VAL A 87 0.583 7.511 13.036 1.00 25.31 H new ATOM 1284 N ILE A 88 1.522 8.999 8.223 1.00 54.53 N ATOM 1285 CA ILE A 88 2.361 9.526 7.190 1.00 71.33 C ATOM 1286 C ILE A 88 1.963 10.973 6.971 1.00 1.11 C ATOM 1287 O ILE A 88 0.827 11.266 6.570 1.00 53.43 O ATOM 1288 CB ILE A 88 2.250 8.688 5.853 1.00 72.41 C ATOM 1289 CG1 ILE A 88 2.906 7.285 5.973 1.00 3.12 C ATOM 1290 CG2 ILE A 88 2.869 9.432 4.673 1.00 24.13 C ATOM 1291 CD1 ILE A 88 2.333 6.361 7.038 1.00 11.41 C ATOM 0 H ILE A 88 0.557 8.836 7.936 1.00 54.53 H new ATOM 0 HA ILE A 88 3.406 9.462 7.495 1.00 71.33 H new ATOM 0 HB ILE A 88 1.183 8.552 5.676 1.00 72.41 H new ATOM 0 HG12 ILE A 88 2.825 6.786 5.007 1.00 3.12 H new ATOM 0 HG13 ILE A 88 3.969 7.420 6.173 1.00 3.12 H new ATOM 0 HG21 ILE A 88 2.775 8.827 3.771 1.00 24.13 H new ATOM 0 HG22 ILE A 88 2.352 10.381 4.529 1.00 24.13 H new ATOM 0 HG23 ILE A 88 3.923 9.621 4.875 1.00 24.13 H new ATOM 0 HD11 ILE A 88 2.871 5.413 7.025 1.00 11.41 H new ATOM 0 HD12 ILE A 88 2.439 6.826 8.018 1.00 11.41 H new ATOM 0 HD13 ILE A 88 1.277 6.181 6.834 1.00 11.41 H new ATOM 1303 N ARG A 89 2.851 11.879 7.279 1.00 13.31 N ATOM 1304 CA ARG A 89 2.532 13.262 7.172 1.00 3.45 C ATOM 1305 C ARG A 89 3.511 13.956 6.267 1.00 42.11 C ATOM 1306 O ARG A 89 4.745 13.822 6.421 1.00 34.13 O ATOM 1307 CB ARG A 89 2.491 13.925 8.550 1.00 53.40 C ATOM 1308 CG ARG A 89 1.714 15.221 8.550 1.00 61.22 C ATOM 1309 CD ARG A 89 1.598 15.830 9.930 1.00 55.22 C ATOM 1310 NE ARG A 89 0.437 16.733 10.010 1.00 40.23 N ATOM 1311 CZ ARG A 89 0.418 17.971 10.492 1.00 65.10 C ATOM 1312 NH1 ARG A 89 1.546 18.595 10.827 1.00 44.23 N ATOM 1313 NH2 ARG A 89 -0.742 18.588 10.613 1.00 41.44 N ATOM 0 H ARG A 89 3.796 11.678 7.604 1.00 13.31 H new ATOM 0 HA ARG A 89 1.538 13.352 6.734 1.00 3.45 H new ATOM 0 HB2 ARG A 89 2.042 13.237 9.267 1.00 53.40 H new ATOM 0 HB3 ARG A 89 3.510 14.117 8.887 1.00 53.40 H new ATOM 0 HG2 ARG A 89 2.201 15.932 7.883 1.00 61.22 H new ATOM 0 HG3 ARG A 89 0.716 15.042 8.151 1.00 61.22 H new ATOM 0 HD2 ARG A 89 1.501 15.039 10.674 1.00 55.22 H new ATOM 0 HD3 ARG A 89 2.509 16.380 10.167 1.00 55.22 H new ATOM 0 HE ARG A 89 -0.448 16.369 9.657 1.00 40.23 H new ATOM 0 HH11 ARG A 89 2.443 18.122 10.715 1.00 44.23 H new ATOM 0 HH12 ARG A 89 1.513 19.546 11.196 1.00 44.23 H new ATOM 0 HH21 ARG A 89 -1.603 18.114 10.339 1.00 41.44 H new ATOM 0 HH22 ARG A 89 -0.778 19.539 10.981 1.00 41.44 H new ATOM 1327 N LEU A 90 2.958 14.639 5.318 1.00 24.25 N ATOM 1328 CA LEU A 90 3.660 15.423 4.352 1.00 13.21 C ATOM 1329 C LEU A 90 2.853 16.684 4.147 1.00 71.12 C ATOM 1330 O LEU A 90 1.701 16.735 4.595 1.00 20.14 O ATOM 1331 CB LEU A 90 3.896 14.666 3.005 1.00 1.53 C ATOM 1332 CG LEU A 90 2.679 14.039 2.269 1.00 3.35 C ATOM 1333 CD1 LEU A 90 3.091 13.639 0.872 1.00 24.03 C ATOM 1334 CD2 LEU A 90 2.177 12.788 2.982 1.00 23.12 C ATOM 0 H LEU A 90 1.947 14.667 5.188 1.00 24.25 H new ATOM 0 HA LEU A 90 4.661 15.650 4.720 1.00 13.21 H new ATOM 0 HB2 LEU A 90 4.374 15.362 2.316 1.00 1.53 H new ATOM 0 HB3 LEU A 90 4.611 13.867 3.198 1.00 1.53 H new ATOM 0 HG LEU A 90 1.884 14.785 2.251 1.00 3.35 H new ATOM 0 HD11 LEU A 90 2.239 13.199 0.353 1.00 24.03 H new ATOM 0 HD12 LEU A 90 3.432 14.519 0.327 1.00 24.03 H new ATOM 0 HD13 LEU A 90 3.899 12.910 0.926 1.00 24.03 H new ATOM 0 HD21 LEU A 90 1.326 12.377 2.439 1.00 23.12 H new ATOM 0 HD22 LEU A 90 2.975 12.047 3.021 1.00 23.12 H new ATOM 0 HD23 LEU A 90 1.871 13.045 3.996 1.00 23.12 H new ATOM 1346 N GLY A 91 3.456 17.704 3.564 1.00 25.01 N ATOM 1347 CA GLY A 91 2.777 18.982 3.341 1.00 0.23 C ATOM 1348 C GLY A 91 1.366 18.845 2.776 1.00 22.21 C ATOM 1349 O GLY A 91 1.168 18.215 1.732 1.00 62.35 O ATOM 0 H GLY A 91 4.420 17.678 3.232 1.00 25.01 H new ATOM 0 HA2 GLY A 91 2.728 19.525 4.285 1.00 0.23 H new ATOM 0 HA3 GLY A 91 3.374 19.585 2.657 1.00 0.23 H new ATOM 1353 N HIS A 92 0.385 19.352 3.547 1.00 72.45 N ATOM 1354 CA HIS A 92 -1.050 19.395 3.182 1.00 52.31 C ATOM 1355 C HIS A 92 -1.763 18.049 3.374 1.00 31.30 C ATOM 1356 O HIS A 92 -2.933 18.010 3.757 1.00 0.02 O ATOM 1357 CB HIS A 92 -1.251 19.969 1.745 1.00 43.21 C ATOM 1358 CG HIS A 92 -2.676 20.051 1.236 1.00 44.02 C ATOM 1359 ND1 HIS A 92 -3.431 21.203 1.230 1.00 63.13 N ATOM 1360 CD2 HIS A 92 -3.455 19.098 0.664 1.00 74.30 C ATOM 1361 CE1 HIS A 92 -4.612 20.923 0.673 1.00 11.21 C ATOM 1362 NE2 HIS A 92 -4.676 19.655 0.310 1.00 3.01 N ATOM 0 H HIS A 92 0.570 19.754 4.466 1.00 72.45 H new ATOM 0 HA HIS A 92 -1.528 20.080 3.882 1.00 52.31 H new ATOM 0 HB2 HIS A 92 -0.822 20.970 1.716 1.00 43.21 H new ATOM 0 HB3 HIS A 92 -0.677 19.356 1.051 1.00 43.21 H new ATOM 0 HD2 HIS A 92 -3.170 18.068 0.509 1.00 74.30 H new ATOM 0 HE1 HIS A 92 -5.409 21.639 0.537 1.00 11.21 H new ATOM 0 HE2 HIS A 92 -5.461 19.182 -0.138 1.00 3.01 H new ATOM 1370 N SER A 93 -1.064 16.969 3.169 1.00 64.13 N ATOM 1371 CA SER A 93 -1.687 15.685 3.194 1.00 13.21 C ATOM 1372 C SER A 93 -1.187 14.845 4.355 1.00 11.42 C ATOM 1373 O SER A 93 -0.004 14.529 4.454 1.00 44.32 O ATOM 1374 CB SER A 93 -1.420 14.979 1.875 1.00 21.45 C ATOM 1375 OG SER A 93 -1.797 15.813 0.790 1.00 1.53 O ATOM 0 H SER A 93 -0.061 16.957 2.983 1.00 64.13 H new ATOM 0 HA SER A 93 -2.760 15.820 3.331 1.00 13.21 H new ATOM 0 HB2 SER A 93 -0.363 14.724 1.798 1.00 21.45 H new ATOM 0 HB3 SER A 93 -1.977 14.043 1.835 1.00 21.45 H new ATOM 0 HG SER A 93 -2.228 15.272 0.096 1.00 1.53 H new ATOM 1381 N GLU A 94 -2.067 14.517 5.241 1.00 44.52 N ATOM 1382 CA GLU A 94 -1.738 13.618 6.296 1.00 21.41 C ATOM 1383 C GLU A 94 -2.587 12.383 6.164 1.00 41.42 C ATOM 1384 O GLU A 94 -3.826 12.451 6.115 1.00 33.12 O ATOM 1385 CB GLU A 94 -1.777 14.274 7.676 1.00 41.23 C ATOM 1386 CG GLU A 94 -3.073 14.915 8.089 1.00 51.25 C ATOM 1387 CD GLU A 94 -2.912 15.586 9.422 1.00 65.51 C ATOM 1388 OE1 GLU A 94 -2.450 16.744 9.460 1.00 75.22 O ATOM 1389 OE2 GLU A 94 -3.208 14.964 10.460 1.00 73.32 O ATOM 0 H GLU A 94 -3.027 14.861 5.255 1.00 44.52 H new ATOM 0 HA GLU A 94 -0.696 13.314 6.201 1.00 21.41 H new ATOM 0 HB2 GLU A 94 -1.521 13.518 8.418 1.00 41.23 H new ATOM 0 HB3 GLU A 94 -0.996 15.034 7.713 1.00 41.23 H new ATOM 0 HG2 GLU A 94 -3.382 15.644 7.340 1.00 51.25 H new ATOM 0 HG3 GLU A 94 -3.859 14.162 8.144 1.00 51.25 H new ATOM 1396 N ILE A 95 -1.927 11.281 6.042 1.00 3.34 N ATOM 1397 CA ILE A 95 -2.554 10.047 5.708 1.00 71.20 C ATOM 1398 C ILE A 95 -2.218 8.946 6.712 1.00 24.51 C ATOM 1399 O ILE A 95 -1.081 8.822 7.174 1.00 25.04 O ATOM 1400 CB ILE A 95 -2.231 9.686 4.188 1.00 54.51 C ATOM 1401 CG1 ILE A 95 -2.605 8.248 3.753 1.00 70.33 C ATOM 1402 CG2 ILE A 95 -0.793 10.022 3.803 1.00 64.32 C ATOM 1403 CD1 ILE A 95 -1.623 7.152 4.162 1.00 50.33 C ATOM 0 H ILE A 95 -0.918 11.211 6.174 1.00 3.34 H new ATOM 0 HA ILE A 95 -3.637 10.148 5.784 1.00 71.20 H new ATOM 0 HB ILE A 95 -2.901 10.335 3.624 1.00 54.51 H new ATOM 0 HG12 ILE A 95 -3.583 8.006 4.168 1.00 70.33 H new ATOM 0 HG13 ILE A 95 -2.706 8.232 2.668 1.00 70.33 H new ATOM 0 HG21 ILE A 95 -0.624 9.757 2.759 1.00 64.32 H new ATOM 0 HG22 ILE A 95 -0.620 11.090 3.939 1.00 64.32 H new ATOM 0 HG23 ILE A 95 -0.106 9.460 4.435 1.00 64.32 H new ATOM 0 HD11 ILE A 95 -1.985 6.188 3.805 1.00 50.33 H new ATOM 0 HD12 ILE A 95 -0.646 7.357 3.725 1.00 50.33 H new ATOM 0 HD13 ILE A 95 -1.536 7.128 5.248 1.00 50.33 H new ATOM 1415 N ILE A 96 -3.230 8.195 7.075 1.00 42.55 N ATOM 1416 CA ILE A 96 -3.106 7.079 7.984 1.00 30.34 C ATOM 1417 C ILE A 96 -3.201 5.798 7.174 1.00 70.14 C ATOM 1418 O ILE A 96 -4.129 5.617 6.389 1.00 33.02 O ATOM 1419 CB ILE A 96 -4.239 7.086 9.055 1.00 3.05 C ATOM 1420 CG1 ILE A 96 -4.256 8.412 9.829 1.00 32.13 C ATOM 1421 CG2 ILE A 96 -4.111 5.900 10.018 1.00 43.23 C ATOM 1422 CD1 ILE A 96 -3.004 8.700 10.638 1.00 63.01 C ATOM 0 H ILE A 96 -4.182 8.345 6.741 1.00 42.55 H new ATOM 0 HA ILE A 96 -2.150 7.152 8.503 1.00 30.34 H new ATOM 0 HB ILE A 96 -5.187 6.985 8.527 1.00 3.05 H new ATOM 0 HG12 ILE A 96 -4.408 9.227 9.121 1.00 32.13 H new ATOM 0 HG13 ILE A 96 -5.113 8.411 10.502 1.00 32.13 H new ATOM 0 HG21 ILE A 96 -4.917 5.937 10.751 1.00 43.23 H new ATOM 0 HG22 ILE A 96 -4.173 4.967 9.457 1.00 43.23 H new ATOM 0 HG23 ILE A 96 -3.151 5.951 10.532 1.00 43.23 H new ATOM 0 HD11 ILE A 96 -3.112 9.657 11.148 1.00 63.01 H new ATOM 0 HD12 ILE A 96 -2.858 7.911 11.375 1.00 63.01 H new ATOM 0 HD13 ILE A 96 -2.142 8.739 9.972 1.00 63.01 H new ATOM 1434 N VAL A 97 -2.254 4.944 7.341 1.00 2.52 N ATOM 1435 CA VAL A 97 -2.219 3.693 6.608 1.00 12.21 C ATOM 1436 C VAL A 97 -3.012 2.621 7.327 1.00 75.33 C ATOM 1437 O VAL A 97 -2.795 2.376 8.493 1.00 33.51 O ATOM 1438 CB VAL A 97 -0.760 3.226 6.381 1.00 0.43 C ATOM 1439 CG1 VAL A 97 -0.715 1.805 5.843 1.00 44.33 C ATOM 1440 CG2 VAL A 97 -0.087 4.155 5.403 1.00 54.11 C ATOM 0 H VAL A 97 -1.474 5.077 7.985 1.00 2.52 H new ATOM 0 HA VAL A 97 -2.680 3.864 5.635 1.00 12.21 H new ATOM 0 HB VAL A 97 -0.239 3.245 7.338 1.00 0.43 H new ATOM 0 HG11 VAL A 97 0.322 1.505 5.694 1.00 44.33 H new ATOM 0 HG12 VAL A 97 -1.189 1.131 6.556 1.00 44.33 H new ATOM 0 HG13 VAL A 97 -1.246 1.759 4.892 1.00 44.33 H new ATOM 0 HG21 VAL A 97 0.941 3.830 5.240 1.00 54.11 H new ATOM 0 HG22 VAL A 97 -0.627 4.140 4.456 1.00 54.11 H new ATOM 0 HG23 VAL A 97 -0.088 5.168 5.804 1.00 54.11 H new ATOM 1450 N ARG A 98 -3.950 2.022 6.640 1.00 3.23 N ATOM 1451 CA ARG A 98 -4.728 0.954 7.192 1.00 65.34 C ATOM 1452 C ARG A 98 -4.461 -0.311 6.433 1.00 10.31 C ATOM 1453 O ARG A 98 -4.156 -0.279 5.239 1.00 33.50 O ATOM 1454 CB ARG A 98 -6.220 1.259 7.141 1.00 61.21 C ATOM 1455 CG ARG A 98 -6.622 2.540 7.839 1.00 54.12 C ATOM 1456 CD ARG A 98 -6.134 2.597 9.279 1.00 61.35 C ATOM 1457 NE ARG A 98 -6.503 1.411 10.050 1.00 50.24 N ATOM 1458 CZ ARG A 98 -7.454 1.361 10.966 1.00 73.20 C ATOM 1459 NH1 ARG A 98 -8.261 2.398 11.147 1.00 51.22 N ATOM 1460 NH2 ARG A 98 -7.595 0.275 11.704 1.00 0.25 N ATOM 0 H ARG A 98 -4.193 2.265 5.680 1.00 3.23 H new ATOM 0 HA ARG A 98 -4.437 0.839 8.236 1.00 65.34 H new ATOM 0 HB2 ARG A 98 -6.531 1.315 6.098 1.00 61.21 H new ATOM 0 HB3 ARG A 98 -6.764 0.428 7.591 1.00 61.21 H new ATOM 0 HG2 ARG A 98 -6.221 3.391 7.289 1.00 54.12 H new ATOM 0 HG3 ARG A 98 -7.708 2.633 7.823 1.00 54.12 H new ATOM 0 HD2 ARG A 98 -5.050 2.706 9.286 1.00 61.35 H new ATOM 0 HD3 ARG A 98 -6.547 3.482 9.763 1.00 61.35 H new ATOM 0 HE ARG A 98 -5.984 0.552 9.866 1.00 50.24 H new ATOM 0 HH11 ARG A 98 -8.148 3.237 10.578 1.00 51.22 H new ATOM 0 HH12 ARG A 98 -8.994 2.356 11.855 1.00 51.22 H new ATOM 0 HH21 ARG A 98 -6.971 -0.520 11.566 1.00 0.25 H new ATOM 0 HH22 ARG A 98 -8.328 0.231 12.412 1.00 0.25 H new ATOM 1474 N MET A 99 -4.562 -1.403 7.107 1.00 41.41 N ATOM 1475 CA MET A 99 -4.359 -2.700 6.505 1.00 62.01 C ATOM 1476 C MET A 99 -5.495 -3.617 6.848 1.00 44.25 C ATOM 1477 O MET A 99 -5.743 -3.927 8.019 1.00 73.41 O ATOM 1478 CB MET A 99 -3.025 -3.331 6.904 1.00 31.34 C ATOM 1479 CG MET A 99 -1.808 -2.601 6.374 1.00 34.41 C ATOM 1480 SD MET A 99 -0.260 -3.402 6.830 1.00 11.20 S ATOM 1481 CE MET A 99 0.898 -2.362 5.958 1.00 62.14 C ATOM 0 H MET A 99 -4.789 -1.435 8.101 1.00 41.41 H new ATOM 0 HA MET A 99 -4.329 -2.550 5.426 1.00 62.01 H new ATOM 0 HB2 MET A 99 -2.966 -3.370 7.992 1.00 31.34 H new ATOM 0 HB3 MET A 99 -3.002 -4.360 6.546 1.00 31.34 H new ATOM 0 HG2 MET A 99 -1.873 -2.537 5.288 1.00 34.41 H new ATOM 0 HG3 MET A 99 -1.809 -1.579 6.754 1.00 34.41 H new ATOM 0 HE1 MET A 99 1.903 -2.771 6.060 1.00 62.14 H new ATOM 0 HE2 MET A 99 0.628 -2.322 4.903 1.00 62.14 H new ATOM 0 HE3 MET A 99 0.871 -1.356 6.378 1.00 62.14 H new ATOM 1491 N HIS A 100 -6.188 -4.020 5.846 1.00 24.34 N ATOM 1492 CA HIS A 100 -7.325 -4.880 5.979 1.00 60.14 C ATOM 1493 C HIS A 100 -6.915 -6.271 5.546 1.00 55.03 C ATOM 1494 O HIS A 100 -6.717 -7.152 6.419 1.00 71.32 O ATOM 1495 CB HIS A 100 -8.504 -4.363 5.123 1.00 34.02 C ATOM 1496 CG HIS A 100 -8.957 -2.961 5.468 1.00 22.14 C ATOM 1497 ND1 HIS A 100 -10.101 -2.667 6.175 1.00 32.12 N ATOM 1498 CD2 HIS A 100 -8.390 -1.761 5.172 1.00 71.20 C ATOM 1499 CE1 HIS A 100 -10.197 -1.342 6.287 1.00 45.23 C ATOM 1500 NE2 HIS A 100 -9.178 -0.738 5.694 1.00 14.33 N ATOM 1501 OXT HIS A 100 -6.709 -6.478 4.347 1.00 36.35 O ATOM 0 H HIS A 100 -5.981 -3.759 4.882 1.00 24.34 H new ATOM 0 HA HIS A 100 -7.661 -4.898 7.016 1.00 60.14 H new ATOM 0 HB2 HIS A 100 -8.214 -4.390 4.073 1.00 34.02 H new ATOM 0 HB3 HIS A 100 -9.348 -5.044 5.239 1.00 34.02 H new ATOM 0 HD2 HIS A 100 -7.473 -1.623 4.619 1.00 71.20 H new ATOM 0 HE1 HIS A 100 -11.000 -0.828 6.795 1.00 45.23 H new ATOM 0 HE2 HIS A 100 -9.006 0.266 5.633 1.00 14.33 H new