USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 845 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 87 LYS NZ :NH3+ -162:sc= 0.112 (180deg=0.0453) USER MOD Set 1.2: A 90 HIS : no HD1:sc=-0.00144 X(o=0.11,f=0.033) USER MOD Set 2.1: A 64 SER OG : rot 175:sc= 0.781 USER MOD Set 2.2: A 67 ASN :FLIP amide:sc= 0.567 F(o=0.073,f=1.3) USER MOD Single : A 4 THR OG1 : rot -36:sc= 0.0316 USER MOD Single : A 6 CYS SG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0264 USER MOD Single : A 11 MET CE :methyl 170:sc= -0.0296 (180deg=-0.291) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl -148:sc= -0.247 (180deg=-0.994) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0747) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HD1:sc=-0.00326 X(o=-0.0033,f=-0.092) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.0704 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot -107:sc= 0.0218 USER MOD Single : A 42 GLN : amide:sc= -0.573 K(o=-0.57,f=-5.2!) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.526 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -147:sc= 0.942 USER MOD Single : A 55 SER OG : rot 180:sc= -0.304 USER MOD Single : A 59 ASN : amide:sc= -0.0339 X(o=-0.034,f=-0.12) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -1.09 K(o=-1.1,f=-2.5!) USER MOD Single : A 66 THR OG1 : rot -47:sc= 0.836 USER MOD Single : A 78 SER OG : rot -51:sc= 0.202 USER MOD Single : A 79 LYS NZ :NH3+ -165:sc= 0.209 (180deg=0.146) USER MOD Single : A 91 THR OG1 : rot -122:sc= 0.592 USER MOD Single : A 97 TYR OH : rot 180:sc= -0.6 USER MOD ----------------------------------------------------------------- ATOM 38 N THR A 4 1.344 -8.858 0.122 1.00 34.32 N ATOM 39 CA THR A 4 1.492 -10.304 0.233 1.00 43.14 C ATOM 40 C THR A 4 0.954 -10.812 1.565 1.00 3.35 C ATOM 41 O THR A 4 1.363 -11.867 2.050 1.00 62.01 O ATOM 42 CB THR A 4 2.966 -10.729 0.091 1.00 31.50 C ATOM 43 OG1 THR A 4 3.742 -10.169 1.156 1.00 62.02 O ATOM 44 CG2 THR A 4 3.533 -10.280 -1.247 1.00 74.34 C ATOM 0 HA THR A 4 0.914 -10.744 -0.579 1.00 43.14 H new ATOM 0 HB THR A 4 3.013 -11.817 0.140 1.00 31.50 H new ATOM 0 HG1 THR A 4 3.407 -9.273 1.369 1.00 62.02 H new ATOM 0 HG21 THR A 4 4.575 -10.592 -1.324 1.00 74.34 H new ATOM 0 HG22 THR A 4 2.959 -10.732 -2.056 1.00 74.34 H new ATOM 0 HG23 THR A 4 3.473 -9.194 -1.322 1.00 74.34 H new ATOM 52 N VAL A 5 0.034 -10.054 2.154 1.00 22.33 N ATOM 53 CA VAL A 5 -0.561 -10.429 3.431 1.00 15.02 C ATOM 54 C VAL A 5 -1.987 -9.903 3.548 1.00 55.41 C ATOM 55 O VAL A 5 -2.220 -8.694 3.497 1.00 31.22 O ATOM 56 CB VAL A 5 0.269 -9.898 4.615 1.00 15.01 C ATOM 57 CG1 VAL A 5 -0.387 -10.270 5.936 1.00 10.24 C ATOM 58 CG2 VAL A 5 1.692 -10.430 4.548 1.00 20.24 C ATOM 0 H VAL A 5 -0.315 -9.177 1.767 1.00 22.33 H new ATOM 0 HA VAL A 5 -0.574 -11.518 3.466 1.00 15.02 H new ATOM 0 HB VAL A 5 0.309 -8.811 4.550 1.00 15.01 H new ATOM 0 HG11 VAL A 5 0.213 -9.887 6.761 1.00 10.24 H new ATOM 0 HG12 VAL A 5 -1.386 -9.836 5.981 1.00 10.24 H new ATOM 0 HG13 VAL A 5 -0.459 -11.355 6.013 1.00 10.24 H new ATOM 0 HG21 VAL A 5 2.264 -10.045 5.392 1.00 20.24 H new ATOM 0 HG22 VAL A 5 1.675 -11.519 4.587 1.00 20.24 H new ATOM 0 HG23 VAL A 5 2.157 -10.108 3.617 1.00 20.24 H new ATOM 68 N CYS A 6 -2.938 -10.817 3.705 1.00 54.42 N ATOM 69 CA CYS A 6 -4.343 -10.445 3.829 1.00 54.24 C ATOM 70 C CYS A 6 -4.840 -10.664 5.254 1.00 73.22 C ATOM 71 O CYS A 6 -4.943 -11.800 5.720 1.00 41.41 O ATOM 72 CB CYS A 6 -5.195 -11.253 2.849 1.00 62.34 C ATOM 73 SG CYS A 6 -5.037 -10.728 1.126 1.00 42.42 S ATOM 0 H CYS A 6 -2.762 -11.821 3.749 1.00 54.42 H new ATOM 0 HA CYS A 6 -4.435 -9.385 3.590 1.00 54.24 H new ATOM 0 HB2 CYS A 6 -4.917 -12.304 2.924 1.00 62.34 H new ATOM 0 HB3 CYS A 6 -6.241 -11.178 3.146 1.00 62.34 H new ATOM 0 HG CYS A 6 -5.793 -11.472 0.375 1.00 42.42 H new ATOM 79 N THR A 7 -5.147 -9.570 5.943 1.00 3.34 N ATOM 80 CA THR A 7 -5.630 -9.642 7.316 1.00 0.35 C ATOM 81 C THR A 7 -7.135 -9.883 7.358 1.00 65.31 C ATOM 82 O THR A 7 -7.859 -9.501 6.439 1.00 74.02 O ATOM 83 CB THR A 7 -5.307 -8.352 8.094 1.00 11.21 C ATOM 84 OG1 THR A 7 -4.438 -7.518 7.320 1.00 1.30 O ATOM 85 CG2 THR A 7 -4.653 -8.674 9.429 1.00 23.20 C ATOM 0 H THR A 7 -5.070 -8.623 5.572 1.00 3.34 H new ATOM 0 HA THR A 7 -5.117 -10.480 7.787 1.00 0.35 H new ATOM 0 HB THR A 7 -6.242 -7.825 8.284 1.00 11.21 H new ATOM 0 HG1 THR A 7 -4.239 -6.699 7.821 1.00 1.30 H new ATOM 0 HG21 THR A 7 -4.434 -7.747 9.960 1.00 23.20 H new ATOM 0 HG22 THR A 7 -5.329 -9.284 10.028 1.00 23.20 H new ATOM 0 HG23 THR A 7 -3.726 -9.221 9.257 1.00 23.20 H new ATOM 93 N ILE A 8 -7.598 -10.519 8.429 1.00 43.12 N ATOM 94 CA ILE A 8 -9.017 -10.809 8.590 1.00 60.43 C ATOM 95 C ILE A 8 -9.531 -10.311 9.936 1.00 23.54 C ATOM 96 O ILE A 8 -8.827 -9.606 10.658 1.00 11.51 O ATOM 97 CB ILE A 8 -9.300 -12.319 8.471 1.00 2.33 C ATOM 98 CG1 ILE A 8 -7.987 -13.103 8.421 1.00 31.24 C ATOM 99 CG2 ILE A 8 -10.141 -12.605 7.236 1.00 13.55 C ATOM 100 CD1 ILE A 8 -7.296 -13.041 7.077 1.00 14.41 C ATOM 0 H ILE A 8 -7.011 -10.843 9.198 1.00 43.12 H new ATOM 0 HA ILE A 8 -9.539 -10.286 7.789 1.00 60.43 H new ATOM 0 HB ILE A 8 -9.860 -12.639 9.350 1.00 2.33 H new ATOM 0 HG12 ILE A 8 -7.313 -12.716 9.185 1.00 31.24 H new ATOM 0 HG13 ILE A 8 -8.186 -14.145 8.670 1.00 31.24 H new ATOM 0 HG21 ILE A 8 -10.332 -13.676 7.166 1.00 13.55 H new ATOM 0 HG22 ILE A 8 -11.088 -12.071 7.309 1.00 13.55 H new ATOM 0 HG23 ILE A 8 -9.606 -12.273 6.346 1.00 13.55 H new ATOM 0 HD11 ILE A 8 -6.373 -13.619 7.116 1.00 14.41 H new ATOM 0 HD12 ILE A 8 -7.952 -13.455 6.311 1.00 14.41 H new ATOM 0 HD13 ILE A 8 -7.065 -12.004 6.834 1.00 14.41 H new ATOM 112 N ALA A 9 -10.762 -10.686 10.269 1.00 2.11 N ATOM 113 CA ALA A 9 -11.369 -10.281 11.531 1.00 43.11 C ATOM 114 C ALA A 9 -10.395 -10.460 12.691 1.00 50.42 C ATOM 115 O ALA A 9 -10.212 -9.555 13.505 1.00 13.23 O ATOM 116 CB ALA A 9 -12.643 -11.073 11.782 1.00 70.40 C ATOM 0 H ALA A 9 -11.358 -11.270 9.682 1.00 2.11 H new ATOM 0 HA ALA A 9 -11.620 -9.223 11.462 1.00 43.11 H new ATOM 0 HB1 ALA A 9 -13.086 -10.760 12.728 1.00 70.40 H new ATOM 0 HB2 ALA A 9 -13.350 -10.891 10.973 1.00 70.40 H new ATOM 0 HB3 ALA A 9 -12.408 -12.136 11.826 1.00 70.40 H new ATOM 122 N ASP A 10 -9.773 -11.632 12.760 1.00 54.42 N ATOM 123 CA ASP A 10 -8.818 -11.929 13.820 1.00 3.25 C ATOM 124 C ASP A 10 -7.817 -12.989 13.369 1.00 14.43 C ATOM 125 O ASP A 10 -7.707 -14.051 13.980 1.00 63.21 O ATOM 126 CB ASP A 10 -9.549 -12.402 15.077 1.00 33.44 C ATOM 127 CG ASP A 10 -10.639 -11.441 15.510 1.00 5.12 C ATOM 128 OD1 ASP A 10 -10.331 -10.501 16.273 1.00 32.41 O ATOM 129 OD2 ASP A 10 -11.799 -11.628 15.087 1.00 64.42 O ATOM 0 H ASP A 10 -9.913 -12.392 12.094 1.00 54.42 H new ATOM 0 HA ASP A 10 -8.272 -11.014 14.050 1.00 3.25 H new ATOM 0 HB2 ASP A 10 -9.986 -13.383 14.892 1.00 33.44 H new ATOM 0 HB3 ASP A 10 -8.831 -12.521 15.888 1.00 33.44 H new ATOM 134 N MET A 11 -7.092 -12.692 12.296 1.00 52.41 N ATOM 135 CA MET A 11 -6.101 -13.619 11.763 1.00 31.23 C ATOM 136 C MET A 11 -5.248 -12.947 10.692 1.00 72.32 C ATOM 137 O MET A 11 -5.525 -11.820 10.279 1.00 22.42 O ATOM 138 CB MET A 11 -6.789 -14.856 11.183 1.00 71.24 C ATOM 139 CG MET A 11 -5.970 -16.129 11.322 1.00 2.10 C ATOM 140 SD MET A 11 -6.997 -17.599 11.511 1.00 42.11 S ATOM 141 CE MET A 11 -7.985 -17.515 10.020 1.00 72.24 C ATOM 0 H MET A 11 -7.172 -11.817 11.778 1.00 52.41 H new ATOM 0 HA MET A 11 -5.449 -13.925 12.581 1.00 31.23 H new ATOM 0 HB2 MET A 11 -7.748 -14.995 11.681 1.00 71.24 H new ATOM 0 HB3 MET A 11 -7.000 -14.683 10.128 1.00 71.24 H new ATOM 0 HG2 MET A 11 -5.334 -16.245 10.444 1.00 2.10 H new ATOM 0 HG3 MET A 11 -5.309 -16.039 12.184 1.00 2.10 H new ATOM 0 HE1 MET A 11 -8.543 -18.444 9.900 1.00 72.24 H new ATOM 0 HE2 MET A 11 -8.682 -16.680 10.092 1.00 72.24 H new ATOM 0 HE3 MET A 11 -7.333 -17.370 9.159 1.00 72.24 H new ATOM 151 N THR A 12 -4.209 -13.646 10.244 1.00 13.23 N ATOM 152 CA THR A 12 -3.315 -13.116 9.222 1.00 34.22 C ATOM 153 C THR A 12 -2.969 -14.182 8.189 1.00 23.22 C ATOM 154 O THR A 12 -2.165 -15.077 8.451 1.00 30.25 O ATOM 155 CB THR A 12 -2.013 -12.574 9.841 1.00 71.21 C ATOM 156 OG1 THR A 12 -2.316 -11.706 10.938 1.00 14.14 O ATOM 157 CG2 THR A 12 -1.194 -11.822 8.804 1.00 44.54 C ATOM 0 H THR A 12 -3.966 -14.580 10.573 1.00 13.23 H new ATOM 0 HA THR A 12 -3.843 -12.298 8.733 1.00 34.22 H new ATOM 0 HB THR A 12 -1.427 -13.420 10.200 1.00 71.21 H new ATOM 0 HG1 THR A 12 -1.483 -11.367 11.327 1.00 14.14 H new ATOM 0 HG21 THR A 12 -0.279 -11.448 9.264 1.00 44.54 H new ATOM 0 HG22 THR A 12 -0.940 -12.494 7.984 1.00 44.54 H new ATOM 0 HG23 THR A 12 -1.775 -10.984 8.419 1.00 44.54 H new ATOM 165 N VAL A 13 -3.579 -14.081 7.013 1.00 53.42 N ATOM 166 CA VAL A 13 -3.333 -15.036 5.939 1.00 54.52 C ATOM 167 C VAL A 13 -2.198 -14.567 5.036 1.00 50.32 C ATOM 168 O VAL A 13 -2.141 -13.400 4.648 1.00 53.33 O ATOM 169 CB VAL A 13 -4.596 -15.257 5.085 1.00 41.13 C ATOM 170 CG1 VAL A 13 -4.312 -16.237 3.956 1.00 13.52 C ATOM 171 CG2 VAL A 13 -5.746 -15.748 5.951 1.00 4.35 C ATOM 0 H VAL A 13 -4.248 -13.347 6.779 1.00 53.42 H new ATOM 0 HA VAL A 13 -3.053 -15.978 6.411 1.00 54.52 H new ATOM 0 HB VAL A 13 -4.886 -14.304 4.643 1.00 41.13 H new ATOM 0 HG11 VAL A 13 -5.215 -16.381 3.363 1.00 13.52 H new ATOM 0 HG12 VAL A 13 -3.520 -15.840 3.320 1.00 13.52 H new ATOM 0 HG13 VAL A 13 -3.997 -17.193 4.375 1.00 13.52 H new ATOM 0 HG21 VAL A 13 -6.630 -15.899 5.331 1.00 4.35 H new ATOM 0 HG22 VAL A 13 -5.469 -16.691 6.423 1.00 4.35 H new ATOM 0 HG23 VAL A 13 -5.964 -15.007 6.720 1.00 4.35 H new ATOM 181 N ASP A 14 -1.296 -15.484 4.705 1.00 41.14 N ATOM 182 CA ASP A 14 -0.162 -15.165 3.845 1.00 24.33 C ATOM 183 C ASP A 14 -0.331 -15.794 2.466 1.00 74.22 C ATOM 184 O ASP A 14 -0.446 -17.013 2.339 1.00 41.25 O ATOM 185 CB ASP A 14 1.141 -15.650 4.484 1.00 41.14 C ATOM 186 CG ASP A 14 2.201 -14.567 4.530 1.00 12.35 C ATOM 187 OD1 ASP A 14 2.352 -13.840 3.526 1.00 63.54 O ATOM 188 OD2 ASP A 14 2.878 -14.445 5.572 1.00 1.33 O ATOM 0 H ASP A 14 -1.328 -16.454 5.019 1.00 41.14 H new ATOM 0 HA ASP A 14 -0.120 -14.082 3.727 1.00 24.33 H new ATOM 0 HB2 ASP A 14 0.938 -15.999 5.496 1.00 41.14 H new ATOM 0 HB3 ASP A 14 1.522 -16.504 3.923 1.00 41.14 H new ATOM 193 N MET A 15 -0.348 -14.954 1.436 1.00 23.21 N ATOM 194 CA MET A 15 -0.504 -15.428 0.066 1.00 65.41 C ATOM 195 C MET A 15 0.831 -15.903 -0.500 1.00 70.31 C ATOM 196 O MET A 15 0.875 -16.586 -1.524 1.00 11.22 O ATOM 197 CB MET A 15 -1.080 -14.320 -0.818 1.00 32.45 C ATOM 198 CG MET A 15 -0.178 -13.102 -0.931 1.00 32.14 C ATOM 199 SD MET A 15 -0.204 -12.369 -2.578 1.00 20.41 S ATOM 200 CE MET A 15 0.461 -13.714 -3.557 1.00 12.21 C ATOM 0 H MET A 15 -0.256 -13.942 1.524 1.00 23.21 H new ATOM 0 HA MET A 15 -1.195 -16.271 0.076 1.00 65.41 H new ATOM 0 HB2 MET A 15 -1.263 -14.720 -1.815 1.00 32.45 H new ATOM 0 HB3 MET A 15 -2.045 -14.011 -0.417 1.00 32.45 H new ATOM 0 HG2 MET A 15 -0.489 -12.355 -0.200 1.00 32.14 H new ATOM 0 HG3 MET A 15 0.844 -13.387 -0.680 1.00 32.14 H new ATOM 0 HE1 MET A 15 1.025 -13.308 -4.397 1.00 12.21 H new ATOM 0 HE2 MET A 15 1.120 -14.323 -2.938 1.00 12.21 H new ATOM 0 HE3 MET A 15 -0.356 -14.330 -3.932 1.00 12.21 H new ATOM 210 N VAL A 16 1.918 -15.538 0.172 1.00 12.43 N ATOM 211 CA VAL A 16 3.254 -15.927 -0.263 1.00 75.14 C ATOM 212 C VAL A 16 3.810 -17.049 0.606 1.00 11.00 C ATOM 213 O VAL A 16 4.583 -17.885 0.138 1.00 30.34 O ATOM 214 CB VAL A 16 4.226 -14.733 -0.227 1.00 22.44 C ATOM 215 CG1 VAL A 16 3.905 -13.748 -1.340 1.00 30.01 C ATOM 216 CG2 VAL A 16 4.179 -14.050 1.132 1.00 50.14 C ATOM 0 H VAL A 16 1.899 -14.973 1.021 1.00 12.43 H new ATOM 0 HA VAL A 16 3.162 -16.279 -1.290 1.00 75.14 H new ATOM 0 HB VAL A 16 5.238 -15.105 -0.387 1.00 22.44 H new ATOM 0 HG11 VAL A 16 4.603 -12.911 -1.298 1.00 30.01 H new ATOM 0 HG12 VAL A 16 3.995 -14.247 -2.305 1.00 30.01 H new ATOM 0 HG13 VAL A 16 2.887 -13.378 -1.216 1.00 30.01 H new ATOM 0 HG21 VAL A 16 4.872 -13.208 1.140 1.00 50.14 H new ATOM 0 HG22 VAL A 16 3.168 -13.690 1.323 1.00 50.14 H new ATOM 0 HG23 VAL A 16 4.463 -14.762 1.907 1.00 50.14 H new ATOM 226 N ARG A 17 3.411 -17.061 1.874 1.00 41.13 N ATOM 227 CA ARG A 17 3.870 -18.080 2.810 1.00 64.15 C ATOM 228 C ARG A 17 2.813 -19.165 2.995 1.00 40.54 C ATOM 229 O ARG A 17 3.111 -20.261 3.468 1.00 73.31 O ATOM 230 CB ARG A 17 4.209 -17.447 4.160 1.00 32.04 C ATOM 231 CG ARG A 17 5.177 -16.280 4.061 1.00 45.04 C ATOM 232 CD ARG A 17 5.911 -16.051 5.373 1.00 64.34 C ATOM 233 NE ARG A 17 7.151 -15.303 5.183 1.00 24.41 N ATOM 234 CZ ARG A 17 8.108 -15.221 6.101 1.00 33.13 C ATOM 235 NH1 ARG A 17 7.967 -15.838 7.267 1.00 43.14 N ATOM 236 NH2 ARG A 17 9.208 -14.521 5.855 1.00 73.25 N ATOM 0 H ARG A 17 2.771 -16.376 2.276 1.00 41.13 H new ATOM 0 HA ARG A 17 4.768 -18.539 2.396 1.00 64.15 H new ATOM 0 HB2 ARG A 17 3.288 -17.105 4.632 1.00 32.04 H new ATOM 0 HB3 ARG A 17 4.637 -18.209 4.811 1.00 32.04 H new ATOM 0 HG2 ARG A 17 5.899 -16.472 3.268 1.00 45.04 H new ATOM 0 HG3 ARG A 17 4.633 -15.377 3.785 1.00 45.04 H new ATOM 0 HD2 ARG A 17 5.263 -15.509 6.061 1.00 64.34 H new ATOM 0 HD3 ARG A 17 6.135 -17.012 5.836 1.00 64.34 H new ATOM 0 HE ARG A 17 7.290 -14.817 4.297 1.00 24.41 H new ATOM 0 HH11 ARG A 17 7.123 -16.377 7.460 1.00 43.14 H new ATOM 0 HH12 ARG A 17 8.703 -15.774 7.970 1.00 43.14 H new ATOM 0 HH21 ARG A 17 9.320 -14.045 4.960 1.00 73.25 H new ATOM 0 HH22 ARG A 17 9.942 -14.459 6.561 1.00 73.25 H new ATOM 250 N ARG A 18 1.578 -18.850 2.619 1.00 52.44 N ATOM 251 CA ARG A 18 0.476 -19.796 2.745 1.00 61.13 C ATOM 252 C ARG A 18 0.307 -20.243 4.194 1.00 71.53 C ATOM 253 O ARG A 18 0.313 -21.439 4.491 1.00 2.52 O ATOM 254 CB ARG A 18 0.716 -21.013 1.849 1.00 53.33 C ATOM 255 CG ARG A 18 0.394 -20.764 0.384 1.00 15.44 C ATOM 256 CD ARG A 18 1.533 -20.046 -0.323 1.00 31.25 C ATOM 257 NE ARG A 18 1.582 -20.367 -1.746 1.00 53.25 N ATOM 258 CZ ARG A 18 2.460 -19.835 -2.590 1.00 33.12 C ATOM 259 NH1 ARG A 18 3.357 -18.962 -2.154 1.00 64.12 N ATOM 260 NH2 ARG A 18 2.441 -20.177 -3.872 1.00 20.13 N ATOM 0 H ARG A 18 1.315 -17.947 2.225 1.00 52.44 H new ATOM 0 HA ARG A 18 -0.439 -19.295 2.428 1.00 61.13 H new ATOM 0 HB2 ARG A 18 1.759 -21.318 1.936 1.00 53.33 H new ATOM 0 HB3 ARG A 18 0.110 -21.844 2.209 1.00 53.33 H new ATOM 0 HG2 ARG A 18 0.197 -21.714 -0.113 1.00 15.44 H new ATOM 0 HG3 ARG A 18 -0.516 -20.169 0.306 1.00 15.44 H new ATOM 0 HD2 ARG A 18 1.416 -18.970 -0.198 1.00 31.25 H new ATOM 0 HD3 ARG A 18 2.479 -20.320 0.143 1.00 31.25 H new ATOM 0 HE ARG A 18 0.905 -21.036 -2.113 1.00 53.25 H new ATOM 0 HH11 ARG A 18 3.374 -18.697 -1.169 1.00 64.12 H new ATOM 0 HH12 ARG A 18 4.030 -18.555 -2.803 1.00 64.12 H new ATOM 0 HH21 ARG A 18 1.752 -20.849 -4.210 1.00 20.13 H new ATOM 0 HH22 ARG A 18 3.115 -19.768 -4.519 1.00 20.13 H new ATOM 274 N THR A 19 0.156 -19.276 5.093 1.00 50.22 N ATOM 275 CA THR A 19 -0.013 -19.569 6.510 1.00 31.23 C ATOM 276 C THR A 19 -1.149 -18.748 7.110 1.00 3.01 C ATOM 277 O THR A 19 -1.673 -17.836 6.471 1.00 15.11 O ATOM 278 CB THR A 19 1.280 -19.290 7.300 1.00 73.11 C ATOM 279 OG1 THR A 19 1.461 -17.879 7.460 1.00 41.33 O ATOM 280 CG2 THR A 19 2.487 -19.884 6.590 1.00 75.44 C ATOM 0 H THR A 19 0.147 -18.282 4.864 1.00 50.22 H new ATOM 0 HA THR A 19 -0.255 -20.629 6.586 1.00 31.23 H new ATOM 0 HB THR A 19 1.189 -19.758 8.280 1.00 73.11 H new ATOM 0 HG1 THR A 19 2.284 -17.710 7.965 1.00 41.33 H new ATOM 0 HG21 THR A 19 3.388 -19.674 7.167 1.00 75.44 H new ATOM 0 HG22 THR A 19 2.359 -20.962 6.496 1.00 75.44 H new ATOM 0 HG23 THR A 19 2.580 -19.442 5.598 1.00 75.44 H new ATOM 288 N VAL A 20 -1.524 -19.077 8.342 1.00 1.32 N ATOM 289 CA VAL A 20 -2.597 -18.368 9.029 1.00 2.24 C ATOM 290 C VAL A 20 -2.244 -18.121 10.492 1.00 43.42 C ATOM 291 O VAL A 20 -2.163 -19.057 11.288 1.00 44.51 O ATOM 292 CB VAL A 20 -3.922 -19.150 8.958 1.00 40.52 C ATOM 293 CG1 VAL A 20 -4.568 -18.981 7.591 1.00 32.11 C ATOM 294 CG2 VAL A 20 -3.690 -20.620 9.269 1.00 21.33 C ATOM 0 H VAL A 20 -1.101 -19.830 8.885 1.00 1.32 H new ATOM 0 HA VAL A 20 -2.720 -17.412 8.521 1.00 2.24 H new ATOM 0 HB VAL A 20 -4.603 -18.747 9.708 1.00 40.52 H new ATOM 0 HG11 VAL A 20 -5.503 -19.540 7.559 1.00 32.11 H new ATOM 0 HG12 VAL A 20 -4.770 -17.925 7.412 1.00 32.11 H new ATOM 0 HG13 VAL A 20 -3.894 -19.357 6.821 1.00 32.11 H new ATOM 0 HG21 VAL A 20 -4.637 -21.157 9.214 1.00 21.33 H new ATOM 0 HG22 VAL A 20 -2.992 -21.040 8.544 1.00 21.33 H new ATOM 0 HG23 VAL A 20 -3.274 -20.719 10.272 1.00 21.33 H new ATOM 304 N ILE A 21 -2.035 -16.855 10.838 1.00 31.05 N ATOM 305 CA ILE A 21 -1.692 -16.485 12.206 1.00 52.31 C ATOM 306 C ILE A 21 -2.887 -15.865 12.924 1.00 65.24 C ATOM 307 O ILE A 21 -3.334 -14.773 12.575 1.00 15.43 O ATOM 308 CB ILE A 21 -0.515 -15.493 12.242 1.00 3.31 C ATOM 309 CG1 ILE A 21 0.777 -16.184 11.801 1.00 71.13 C ATOM 310 CG2 ILE A 21 -0.358 -14.907 13.638 1.00 72.14 C ATOM 311 CD1 ILE A 21 0.914 -16.307 10.299 1.00 13.12 C ATOM 0 H ILE A 21 -2.097 -16.069 10.191 1.00 31.05 H new ATOM 0 HA ILE A 21 -1.400 -17.402 12.717 1.00 52.31 H new ATOM 0 HB ILE A 21 -0.725 -14.679 11.548 1.00 3.31 H new ATOM 0 HG12 ILE A 21 1.629 -15.627 12.191 1.00 71.13 H new ATOM 0 HG13 ILE A 21 0.817 -17.179 12.244 1.00 71.13 H new ATOM 0 HG21 ILE A 21 0.478 -14.208 13.647 1.00 72.14 H new ATOM 0 HG22 ILE A 21 -1.272 -14.383 13.918 1.00 72.14 H new ATOM 0 HG23 ILE A 21 -0.167 -15.710 14.350 1.00 72.14 H new ATOM 0 HD11 ILE A 21 1.853 -16.806 10.059 1.00 13.12 H new ATOM 0 HD12 ILE A 21 0.082 -16.890 9.904 1.00 13.12 H new ATOM 0 HD13 ILE A 21 0.906 -15.314 9.850 1.00 13.12 H new ATOM 323 N ARG A 22 -3.397 -16.570 13.928 1.00 3.45 N ATOM 324 CA ARG A 22 -4.539 -16.089 14.696 1.00 1.42 C ATOM 325 C ARG A 22 -4.079 -15.338 15.943 1.00 70.51 C ATOM 326 O ARG A 22 -3.613 -15.945 16.908 1.00 53.52 O ATOM 327 CB ARG A 22 -5.441 -17.258 15.095 1.00 10.14 C ATOM 328 CG ARG A 22 -6.891 -16.860 15.320 1.00 5.32 C ATOM 329 CD ARG A 22 -7.453 -17.494 16.583 1.00 50.42 C ATOM 330 NE ARG A 22 -6.688 -17.121 17.770 1.00 61.43 N ATOM 331 CZ ARG A 22 -7.163 -17.207 19.007 1.00 32.02 C ATOM 332 NH1 ARG A 22 -8.395 -17.650 19.219 1.00 62.13 N ATOM 333 NH2 ARG A 22 -6.406 -16.849 20.036 1.00 22.44 N ATOM 0 H ARG A 22 -3.038 -17.476 14.229 1.00 3.45 H new ATOM 0 HA ARG A 22 -5.104 -15.401 14.067 1.00 1.42 H new ATOM 0 HB2 ARG A 22 -5.399 -18.020 14.317 1.00 10.14 H new ATOM 0 HB3 ARG A 22 -5.052 -17.711 16.007 1.00 10.14 H new ATOM 0 HG2 ARG A 22 -6.965 -15.775 15.392 1.00 5.32 H new ATOM 0 HG3 ARG A 22 -7.490 -17.163 14.462 1.00 5.32 H new ATOM 0 HD2 ARG A 22 -8.492 -17.189 16.710 1.00 50.42 H new ATOM 0 HD3 ARG A 22 -7.450 -18.579 16.476 1.00 50.42 H new ATOM 0 HE ARG A 22 -5.737 -16.776 17.642 1.00 61.43 H new ATOM 0 HH11 ARG A 22 -8.980 -17.926 18.431 1.00 62.13 H new ATOM 0 HH12 ARG A 22 -8.757 -17.715 20.170 1.00 62.13 H new ATOM 0 HH21 ARG A 22 -5.458 -16.507 19.877 1.00 22.44 H new ATOM 0 HH22 ARG A 22 -6.772 -16.915 20.986 1.00 22.44 H new ATOM 347 N SER A 23 -4.213 -14.016 15.915 1.00 64.34 N ATOM 348 CA SER A 23 -3.807 -13.183 17.040 1.00 1.22 C ATOM 349 C SER A 23 -2.370 -13.489 17.453 1.00 53.22 C ATOM 350 O SER A 23 -2.014 -13.386 18.626 1.00 41.53 O ATOM 351 CB SER A 23 -4.747 -13.399 18.227 1.00 14.13 C ATOM 352 OG SER A 23 -5.888 -12.564 18.132 1.00 15.15 O ATOM 0 H SER A 23 -4.600 -13.499 15.125 1.00 64.34 H new ATOM 0 HA SER A 23 -3.862 -12.141 16.726 1.00 1.22 H new ATOM 0 HB2 SER A 23 -5.058 -14.443 18.263 1.00 14.13 H new ATOM 0 HB3 SER A 23 -4.217 -13.192 19.157 1.00 14.13 H new ATOM 0 HG SER A 23 -6.474 -12.722 18.901 1.00 15.15 H new ATOM 358 N GLY A 24 -1.549 -13.867 16.478 1.00 42.42 N ATOM 359 CA GLY A 24 -0.160 -14.182 16.758 1.00 34.44 C ATOM 360 C GLY A 24 0.049 -15.651 17.069 1.00 72.23 C ATOM 361 O GLY A 24 1.075 -16.035 17.630 1.00 63.34 O ATOM 0 H GLY A 24 -1.821 -13.961 15.499 1.00 42.42 H new ATOM 0 HA2 GLY A 24 0.453 -13.904 15.900 1.00 34.44 H new ATOM 0 HA3 GLY A 24 0.183 -13.583 17.602 1.00 34.44 H new ATOM 365 N LYS A 25 -0.927 -16.476 16.705 1.00 73.00 N ATOM 366 CA LYS A 25 -0.847 -17.911 16.948 1.00 70.53 C ATOM 367 C LYS A 25 -1.171 -18.697 15.681 1.00 52.53 C ATOM 368 O LYS A 25 -2.331 -18.799 15.281 1.00 32.31 O ATOM 369 CB LYS A 25 -1.807 -18.314 18.070 1.00 63.44 C ATOM 370 CG LYS A 25 -1.462 -17.699 19.415 1.00 70.41 C ATOM 371 CD LYS A 25 -2.095 -16.328 19.580 1.00 34.10 C ATOM 372 CE LYS A 25 -2.086 -15.881 21.034 1.00 44.02 C ATOM 373 NZ LYS A 25 -0.716 -15.922 21.617 1.00 11.24 N ATOM 0 H LYS A 25 -1.783 -16.175 16.240 1.00 73.00 H new ATOM 0 HA LYS A 25 0.174 -18.146 17.249 1.00 70.53 H new ATOM 0 HB2 LYS A 25 -2.819 -18.019 17.794 1.00 63.44 H new ATOM 0 HB3 LYS A 25 -1.806 -19.400 18.165 1.00 63.44 H new ATOM 0 HG2 LYS A 25 -1.803 -18.357 20.215 1.00 70.41 H new ATOM 0 HG3 LYS A 25 -0.379 -17.615 19.511 1.00 70.41 H new ATOM 0 HD2 LYS A 25 -1.556 -15.602 18.972 1.00 34.10 H new ATOM 0 HD3 LYS A 25 -3.121 -16.353 19.212 1.00 34.10 H new ATOM 0 HE2 LYS A 25 -2.481 -14.868 21.105 1.00 44.02 H new ATOM 0 HE3 LYS A 25 -2.748 -16.523 21.616 1.00 44.02 H new ATOM 0 HZ1 LYS A 25 -0.712 -15.425 22.531 1.00 11.24 H new ATOM 0 HZ2 LYS A 25 -0.429 -16.911 21.760 1.00 11.24 H new ATOM 0 HZ3 LYS A 25 -0.049 -15.458 20.968 1.00 11.24 H new ATOM 387 N LYS A 26 -0.139 -19.250 15.053 1.00 73.31 N ATOM 388 CA LYS A 26 -0.314 -20.029 13.833 1.00 43.14 C ATOM 389 C LYS A 26 -1.140 -21.283 14.101 1.00 52.35 C ATOM 390 O LYS A 26 -0.844 -22.047 15.019 1.00 34.51 O ATOM 391 CB LYS A 26 1.048 -20.417 13.252 1.00 71.21 C ATOM 392 CG LYS A 26 0.955 -21.186 11.945 1.00 20.03 C ATOM 393 CD LYS A 26 2.331 -21.478 11.371 1.00 22.22 C ATOM 394 CE LYS A 26 2.941 -20.242 10.729 1.00 3.31 C ATOM 395 NZ LYS A 26 4.424 -20.342 10.632 1.00 51.35 N ATOM 0 H LYS A 26 0.828 -19.173 15.369 1.00 73.31 H new ATOM 0 HA LYS A 26 -0.848 -19.411 13.111 1.00 43.14 H new ATOM 0 HB2 LYS A 26 1.636 -19.513 13.091 1.00 71.21 H new ATOM 0 HB3 LYS A 26 1.586 -21.022 13.982 1.00 71.21 H new ATOM 0 HG2 LYS A 26 0.422 -22.123 12.110 1.00 20.03 H new ATOM 0 HG3 LYS A 26 0.374 -20.611 11.224 1.00 20.03 H new ATOM 0 HD2 LYS A 26 2.987 -21.840 12.163 1.00 22.22 H new ATOM 0 HD3 LYS A 26 2.256 -22.274 10.631 1.00 22.22 H new ATOM 0 HE2 LYS A 26 2.520 -20.105 9.733 1.00 3.31 H new ATOM 0 HE3 LYS A 26 2.674 -19.361 11.312 1.00 3.31 H new ATOM 0 HZ1 LYS A 26 4.802 -19.480 10.189 1.00 51.35 H new ATOM 0 HZ2 LYS A 26 4.828 -20.447 11.585 1.00 51.35 H new ATOM 0 HZ3 LYS A 26 4.679 -21.168 10.055 1.00 51.35 H new ATOM 409 N ILE A 27 -2.175 -21.487 13.293 1.00 60.54 N ATOM 410 CA ILE A 27 -3.042 -22.650 13.442 1.00 45.02 C ATOM 411 C ILE A 27 -2.497 -23.845 12.666 1.00 53.41 C ATOM 412 O ILE A 27 -1.882 -23.685 11.611 1.00 20.41 O ATOM 413 CB ILE A 27 -4.474 -22.350 12.962 1.00 42.22 C ATOM 414 CG1 ILE A 27 -5.014 -21.095 13.652 1.00 62.34 C ATOM 415 CG2 ILE A 27 -5.382 -23.540 13.229 1.00 34.40 C ATOM 416 CD1 ILE A 27 -5.171 -21.249 15.148 1.00 11.12 C ATOM 0 H ILE A 27 -2.434 -20.863 12.529 1.00 60.54 H new ATOM 0 HA ILE A 27 -3.067 -22.891 14.505 1.00 45.02 H new ATOM 0 HB ILE A 27 -4.451 -22.170 11.887 1.00 42.22 H new ATOM 0 HG12 ILE A 27 -4.342 -20.261 13.449 1.00 62.34 H new ATOM 0 HG13 ILE A 27 -5.980 -20.839 13.218 1.00 62.34 H new ATOM 0 HG21 ILE A 27 -6.391 -23.313 12.884 1.00 34.40 H new ATOM 0 HG22 ILE A 27 -5.004 -24.413 12.696 1.00 34.40 H new ATOM 0 HG23 ILE A 27 -5.403 -23.749 14.299 1.00 34.40 H new ATOM 0 HD11 ILE A 27 -5.558 -20.322 15.571 1.00 11.12 H new ATOM 0 HD12 ILE A 27 -5.866 -22.062 15.359 1.00 11.12 H new ATOM 0 HD13 ILE A 27 -4.202 -21.475 15.594 1.00 11.12 H new ATOM 428 N HIS A 28 -2.729 -25.042 13.194 1.00 35.12 N ATOM 429 CA HIS A 28 -2.265 -26.265 12.550 1.00 65.23 C ATOM 430 C HIS A 28 -3.379 -26.903 11.726 1.00 52.43 C ATOM 431 O HIS A 28 -4.556 -26.810 12.077 1.00 52.51 O ATOM 432 CB HIS A 28 -1.757 -27.257 13.597 1.00 73.33 C ATOM 433 CG HIS A 28 -0.431 -26.883 14.183 1.00 63.51 C ATOM 434 ND1 HIS A 28 0.688 -26.637 13.416 1.00 43.30 N ATOM 435 CD2 HIS A 28 -0.048 -26.713 15.470 1.00 60.10 C ATOM 436 CE1 HIS A 28 1.702 -26.332 14.206 1.00 65.40 C ATOM 437 NE2 HIS A 28 1.282 -26.371 15.457 1.00 30.25 N ATOM 0 H HIS A 28 -3.236 -25.191 14.067 1.00 35.12 H new ATOM 0 HA HIS A 28 -1.446 -26.004 11.880 1.00 65.23 H new ATOM 0 HB2 HIS A 28 -2.491 -27.333 14.399 1.00 73.33 H new ATOM 0 HB3 HIS A 28 -1.678 -28.244 13.142 1.00 73.33 H new ATOM 0 HD2 HIS A 28 -0.672 -26.825 16.344 1.00 60.10 H new ATOM 0 HE1 HIS A 28 2.704 -26.092 13.883 1.00 65.40 H new ATOM 0 HE2 HIS A 28 1.853 -26.178 16.280 1.00 30.25 H new ATOM 445 N LEU A 29 -3.001 -27.549 10.628 1.00 33.04 N ATOM 446 CA LEU A 29 -3.969 -28.202 9.753 1.00 11.43 C ATOM 447 C LEU A 29 -3.337 -29.386 9.029 1.00 44.41 C ATOM 448 O LEU A 29 -2.155 -29.681 9.213 1.00 73.44 O ATOM 449 CB LEU A 29 -4.521 -27.202 8.735 1.00 31.04 C ATOM 450 CG LEU A 29 -3.514 -26.207 8.158 1.00 10.31 C ATOM 451 CD1 LEU A 29 -2.446 -26.933 7.355 1.00 1.04 C ATOM 452 CD2 LEU A 29 -4.222 -25.172 7.295 1.00 65.32 C ATOM 0 H LEU A 29 -2.032 -27.635 10.323 1.00 33.04 H new ATOM 0 HA LEU A 29 -4.788 -28.573 10.370 1.00 11.43 H new ATOM 0 HB2 LEU A 29 -4.963 -27.761 7.910 1.00 31.04 H new ATOM 0 HB3 LEU A 29 -5.327 -26.640 9.208 1.00 31.04 H new ATOM 0 HG LEU A 29 -3.028 -25.690 8.985 1.00 10.31 H new ATOM 0 HD11 LEU A 29 -1.738 -26.208 6.952 1.00 1.04 H new ATOM 0 HD12 LEU A 29 -1.919 -27.635 8.001 1.00 1.04 H new ATOM 0 HD13 LEU A 29 -2.914 -27.477 6.535 1.00 1.04 H new ATOM 0 HD21 LEU A 29 -3.490 -24.472 6.892 1.00 65.32 H new ATOM 0 HD22 LEU A 29 -4.735 -25.673 6.474 1.00 65.32 H new ATOM 0 HD23 LEU A 29 -4.949 -24.629 7.900 1.00 65.32 H new ATOM 464 N THR A 30 -4.130 -30.060 8.202 1.00 11.24 N ATOM 465 CA THR A 30 -3.648 -31.211 7.449 1.00 13.41 C ATOM 466 C THR A 30 -3.527 -30.885 5.965 1.00 40.31 C ATOM 467 O THR A 30 -3.892 -29.794 5.527 1.00 22.50 O ATOM 468 CB THR A 30 -4.580 -32.425 7.622 1.00 62.21 C ATOM 469 OG1 THR A 30 -3.969 -33.594 7.065 1.00 24.42 O ATOM 470 CG2 THR A 30 -5.921 -32.178 6.948 1.00 33.44 C ATOM 0 H THR A 30 -5.109 -29.828 8.037 1.00 11.24 H new ATOM 0 HA THR A 30 -2.663 -31.459 7.845 1.00 13.41 H new ATOM 0 HB THR A 30 -4.750 -32.576 8.688 1.00 62.21 H new ATOM 0 HG1 THR A 30 -4.567 -34.362 7.180 1.00 24.42 H new ATOM 0 HG21 THR A 30 -6.562 -33.049 7.084 1.00 33.44 H new ATOM 0 HG22 THR A 30 -6.397 -31.304 7.394 1.00 33.44 H new ATOM 0 HG23 THR A 30 -5.766 -32.003 5.883 1.00 33.44 H new ATOM 478 N GLY A 31 -3.012 -31.838 5.194 1.00 32.23 N ATOM 479 CA GLY A 31 -2.853 -31.633 3.767 1.00 42.34 C ATOM 480 C GLY A 31 -4.143 -31.209 3.094 1.00 14.21 C ATOM 481 O GLY A 31 -4.183 -30.201 2.387 1.00 22.44 O ATOM 0 H GLY A 31 -2.702 -32.749 5.533 1.00 32.23 H new ATOM 0 HA2 GLY A 31 -2.091 -30.873 3.595 1.00 42.34 H new ATOM 0 HA3 GLY A 31 -2.494 -32.554 3.309 1.00 42.34 H new ATOM 485 N LYS A 32 -5.203 -31.980 3.312 1.00 13.01 N ATOM 486 CA LYS A 32 -6.503 -31.680 2.722 1.00 25.31 C ATOM 487 C LYS A 32 -6.963 -30.277 3.104 1.00 61.20 C ATOM 488 O LYS A 32 -7.298 -29.468 2.240 1.00 74.23 O ATOM 489 CB LYS A 32 -7.541 -32.710 3.174 1.00 4.11 C ATOM 490 CG LYS A 32 -7.096 -34.149 2.977 1.00 1.21 C ATOM 491 CD LYS A 32 -8.268 -35.112 3.067 1.00 2.12 C ATOM 492 CE LYS A 32 -8.728 -35.296 4.505 1.00 74.40 C ATOM 493 NZ LYS A 32 -9.705 -36.413 4.635 1.00 15.44 N ATOM 0 H LYS A 32 -5.188 -32.818 3.893 1.00 13.01 H new ATOM 0 HA LYS A 32 -6.402 -31.727 1.638 1.00 25.31 H new ATOM 0 HB2 LYS A 32 -7.765 -32.549 4.229 1.00 4.11 H new ATOM 0 HB3 LYS A 32 -8.467 -32.546 2.623 1.00 4.11 H new ATOM 0 HG2 LYS A 32 -6.613 -34.252 2.005 1.00 1.21 H new ATOM 0 HG3 LYS A 32 -6.353 -34.408 3.731 1.00 1.21 H new ATOM 0 HD2 LYS A 32 -9.095 -34.737 2.464 1.00 2.12 H new ATOM 0 HD3 LYS A 32 -7.981 -36.077 2.649 1.00 2.12 H new ATOM 0 HE2 LYS A 32 -7.864 -35.493 5.140 1.00 74.40 H new ATOM 0 HE3 LYS A 32 -9.183 -34.372 4.862 1.00 74.40 H new ATOM 0 HZ1 LYS A 32 -9.995 -36.507 5.629 1.00 15.44 H new ATOM 0 HZ2 LYS A 32 -10.540 -36.214 4.048 1.00 15.44 H new ATOM 0 HZ3 LYS A 32 -9.263 -37.299 4.318 1.00 15.44 H new ATOM 507 N GLU A 33 -6.975 -29.996 4.403 1.00 23.13 N ATOM 508 CA GLU A 33 -7.393 -28.690 4.898 1.00 55.22 C ATOM 509 C GLU A 33 -6.533 -27.580 4.300 1.00 73.33 C ATOM 510 O GLU A 33 -7.022 -26.488 4.012 1.00 13.40 O ATOM 511 CB GLU A 33 -7.310 -28.647 6.425 1.00 35.41 C ATOM 512 CG GLU A 33 -8.232 -29.641 7.113 1.00 51.44 C ATOM 513 CD GLU A 33 -7.911 -29.813 8.584 1.00 3.55 C ATOM 514 OE1 GLU A 33 -7.104 -29.019 9.113 1.00 73.01 O ATOM 515 OE2 GLU A 33 -8.466 -30.741 9.208 1.00 75.21 O ATOM 0 H GLU A 33 -6.700 -30.655 5.131 1.00 23.13 H new ATOM 0 HA GLU A 33 -8.427 -28.529 4.593 1.00 55.22 H new ATOM 0 HB2 GLU A 33 -6.283 -28.846 6.730 1.00 35.41 H new ATOM 0 HB3 GLU A 33 -7.555 -27.641 6.766 1.00 35.41 H new ATOM 0 HG2 GLU A 33 -9.264 -29.307 7.007 1.00 51.44 H new ATOM 0 HG3 GLU A 33 -8.157 -30.607 6.613 1.00 51.44 H new ATOM 522 N TYR A 34 -5.250 -27.869 4.116 1.00 22.10 N ATOM 523 CA TYR A 34 -4.320 -26.896 3.555 1.00 11.23 C ATOM 524 C TYR A 34 -4.701 -26.542 2.121 1.00 60.21 C ATOM 525 O TYR A 34 -4.535 -25.403 1.685 1.00 52.11 O ATOM 526 CB TYR A 34 -2.892 -27.442 3.596 1.00 42.42 C ATOM 527 CG TYR A 34 -1.864 -26.490 3.027 1.00 24.01 C ATOM 528 CD1 TYR A 34 -1.850 -25.150 3.394 1.00 54.04 C ATOM 529 CD2 TYR A 34 -0.904 -26.932 2.124 1.00 54.52 C ATOM 530 CE1 TYR A 34 -0.913 -24.277 2.876 1.00 73.01 C ATOM 531 CE2 TYR A 34 0.037 -26.066 1.602 1.00 5.01 C ATOM 532 CZ TYR A 34 0.029 -24.740 1.981 1.00 54.32 C ATOM 533 OH TYR A 34 0.965 -23.874 1.464 1.00 53.41 O ATOM 0 H TYR A 34 -4.830 -28.769 4.347 1.00 22.10 H new ATOM 0 HA TYR A 34 -4.373 -25.990 4.159 1.00 11.23 H new ATOM 0 HB2 TYR A 34 -2.629 -27.673 4.628 1.00 42.42 H new ATOM 0 HB3 TYR A 34 -2.854 -28.379 3.041 1.00 42.42 H new ATOM 0 HD1 TYR A 34 -2.584 -24.785 4.096 1.00 54.04 H new ATOM 0 HD2 TYR A 34 -0.894 -27.970 1.826 1.00 54.52 H new ATOM 0 HE1 TYR A 34 -0.918 -23.238 3.170 1.00 73.01 H new ATOM 0 HE2 TYR A 34 0.775 -26.425 0.901 1.00 5.01 H new ATOM 0 HH TYR A 34 0.747 -23.676 0.529 1.00 53.41 H new ATOM 543 N VAL A 35 -5.213 -27.528 1.391 1.00 35.25 N ATOM 544 CA VAL A 35 -5.620 -27.323 0.007 1.00 54.25 C ATOM 545 C VAL A 35 -6.875 -26.461 -0.076 1.00 0.55 C ATOM 546 O VAL A 35 -6.894 -25.436 -0.759 1.00 0.10 O ATOM 547 CB VAL A 35 -5.884 -28.663 -0.706 1.00 12.24 C ATOM 548 CG1 VAL A 35 -6.640 -28.437 -2.006 1.00 50.21 C ATOM 549 CG2 VAL A 35 -4.576 -29.397 -0.960 1.00 54.11 C ATOM 0 H VAL A 35 -5.356 -28.477 1.736 1.00 35.25 H new ATOM 0 HA VAL A 35 -4.797 -26.811 -0.491 1.00 54.25 H new ATOM 0 HB VAL A 35 -6.503 -29.284 -0.058 1.00 12.24 H new ATOM 0 HG11 VAL A 35 -6.817 -29.395 -2.495 1.00 50.21 H new ATOM 0 HG12 VAL A 35 -7.595 -27.956 -1.793 1.00 50.21 H new ATOM 0 HG13 VAL A 35 -6.051 -27.798 -2.663 1.00 50.21 H new ATOM 0 HG21 VAL A 35 -4.781 -30.341 -1.464 1.00 54.11 H new ATOM 0 HG22 VAL A 35 -3.930 -28.783 -1.588 1.00 54.11 H new ATOM 0 HG23 VAL A 35 -4.079 -29.593 -0.010 1.00 54.11 H new ATOM 559 N LEU A 36 -7.922 -26.881 0.626 1.00 60.24 N ATOM 560 CA LEU A 36 -9.183 -26.147 0.633 1.00 24.12 C ATOM 561 C LEU A 36 -8.964 -24.695 1.044 1.00 13.55 C ATOM 562 O LEU A 36 -9.584 -23.783 0.495 1.00 44.43 O ATOM 563 CB LEU A 36 -10.178 -26.814 1.584 1.00 72.11 C ATOM 564 CG LEU A 36 -10.902 -28.047 1.041 1.00 2.11 C ATOM 565 CD1 LEU A 36 -9.951 -29.231 0.958 1.00 2.31 C ATOM 566 CD2 LEU A 36 -12.104 -28.386 1.911 1.00 44.12 C ATOM 0 H LEU A 36 -7.923 -27.726 1.198 1.00 60.24 H new ATOM 0 HA LEU A 36 -9.590 -26.162 -0.378 1.00 24.12 H new ATOM 0 HB2 LEU A 36 -9.647 -27.100 2.492 1.00 72.11 H new ATOM 0 HB3 LEU A 36 -10.926 -26.075 1.872 1.00 72.11 H new ATOM 0 HG LEU A 36 -11.258 -27.822 0.036 1.00 2.11 H new ATOM 0 HD11 LEU A 36 -10.484 -30.099 0.570 1.00 2.31 H new ATOM 0 HD12 LEU A 36 -9.123 -28.986 0.293 1.00 2.31 H new ATOM 0 HD13 LEU A 36 -9.564 -29.457 1.952 1.00 2.31 H new ATOM 0 HD21 LEU A 36 -12.607 -29.266 1.510 1.00 44.12 H new ATOM 0 HD22 LEU A 36 -11.771 -28.591 2.928 1.00 44.12 H new ATOM 0 HD23 LEU A 36 -12.796 -27.544 1.919 1.00 44.12 H new ATOM 578 N LEU A 37 -8.079 -24.486 2.013 1.00 51.03 N ATOM 579 CA LEU A 37 -7.777 -23.143 2.497 1.00 64.44 C ATOM 580 C LEU A 37 -6.838 -22.418 1.538 1.00 5.13 C ATOM 581 O LEU A 37 -6.943 -21.206 1.350 1.00 24.43 O ATOM 582 CB LEU A 37 -7.149 -23.212 3.890 1.00 41.51 C ATOM 583 CG LEU A 37 -8.119 -23.121 5.068 1.00 10.23 C ATOM 584 CD1 LEU A 37 -9.241 -24.136 4.916 1.00 61.15 C ATOM 585 CD2 LEU A 37 -7.382 -23.331 6.383 1.00 33.21 C ATOM 0 H LEU A 37 -7.558 -25.229 2.479 1.00 51.03 H new ATOM 0 HA LEU A 37 -8.711 -22.584 2.554 1.00 64.44 H new ATOM 0 HB2 LEU A 37 -6.596 -24.148 3.972 1.00 41.51 H new ATOM 0 HB3 LEU A 37 -6.423 -22.404 3.980 1.00 41.51 H new ATOM 0 HG LEU A 37 -8.558 -22.123 5.076 1.00 10.23 H new ATOM 0 HD11 LEU A 37 -9.921 -24.056 5.764 1.00 61.15 H new ATOM 0 HD12 LEU A 37 -9.787 -23.940 3.993 1.00 61.15 H new ATOM 0 HD13 LEU A 37 -8.820 -25.141 4.882 1.00 61.15 H new ATOM 0 HD21 LEU A 37 -8.088 -23.263 7.211 1.00 33.21 H new ATOM 0 HD22 LEU A 37 -6.915 -24.316 6.385 1.00 33.21 H new ATOM 0 HD23 LEU A 37 -6.615 -22.565 6.496 1.00 33.21 H new ATOM 597 N GLU A 38 -5.922 -23.168 0.934 1.00 64.32 N ATOM 598 CA GLU A 38 -4.965 -22.596 -0.006 1.00 53.34 C ATOM 599 C GLU A 38 -5.683 -21.834 -1.116 1.00 53.54 C ATOM 600 O GLU A 38 -5.319 -20.704 -1.446 1.00 2.13 O ATOM 601 CB GLU A 38 -4.090 -23.696 -0.611 1.00 53.54 C ATOM 602 CG GLU A 38 -2.735 -23.834 0.061 1.00 21.02 C ATOM 603 CD GLU A 38 -1.601 -23.311 -0.799 1.00 23.41 C ATOM 604 OE1 GLU A 38 -1.785 -22.260 -1.448 1.00 22.14 O ATOM 605 OE2 GLU A 38 -0.530 -23.953 -0.824 1.00 22.13 O ATOM 0 H GLU A 38 -5.822 -24.173 1.079 1.00 64.32 H new ATOM 0 HA GLU A 38 -4.331 -21.897 0.540 1.00 53.34 H new ATOM 0 HB2 GLU A 38 -4.618 -24.647 -0.543 1.00 53.54 H new ATOM 0 HB3 GLU A 38 -3.941 -23.489 -1.671 1.00 53.54 H new ATOM 0 HG2 GLU A 38 -2.747 -23.294 1.008 1.00 21.02 H new ATOM 0 HG3 GLU A 38 -2.555 -24.883 0.295 1.00 21.02 H new ATOM 612 N LEU A 39 -6.705 -22.459 -1.690 1.00 70.21 N ATOM 613 CA LEU A 39 -7.475 -21.841 -2.764 1.00 71.30 C ATOM 614 C LEU A 39 -8.453 -20.811 -2.209 1.00 51.44 C ATOM 615 O LEU A 39 -8.629 -19.734 -2.782 1.00 64.31 O ATOM 616 CB LEU A 39 -8.235 -22.909 -3.553 1.00 61.10 C ATOM 617 CG LEU A 39 -7.525 -23.462 -4.789 1.00 60.42 C ATOM 618 CD1 LEU A 39 -7.431 -22.398 -5.872 1.00 21.44 C ATOM 619 CD2 LEU A 39 -6.141 -23.978 -4.423 1.00 44.43 C ATOM 0 H LEU A 39 -7.020 -23.394 -1.430 1.00 70.21 H new ATOM 0 HA LEU A 39 -6.779 -21.332 -3.431 1.00 71.30 H new ATOM 0 HB2 LEU A 39 -8.455 -23.740 -2.883 1.00 61.10 H new ATOM 0 HB3 LEU A 39 -9.192 -22.490 -3.865 1.00 61.10 H new ATOM 0 HG LEU A 39 -8.110 -24.295 -5.178 1.00 60.42 H new ATOM 0 HD11 LEU A 39 -6.923 -22.810 -6.744 1.00 21.44 H new ATOM 0 HD12 LEU A 39 -8.434 -22.077 -6.155 1.00 21.44 H new ATOM 0 HD13 LEU A 39 -6.869 -21.543 -5.495 1.00 21.44 H new ATOM 0 HD21 LEU A 39 -5.650 -24.368 -5.315 1.00 44.43 H new ATOM 0 HD22 LEU A 39 -5.547 -23.163 -4.009 1.00 44.43 H new ATOM 0 HD23 LEU A 39 -6.233 -24.773 -3.683 1.00 44.43 H new ATOM 631 N LEU A 40 -9.086 -21.146 -1.091 1.00 11.44 N ATOM 632 CA LEU A 40 -10.045 -20.248 -0.456 1.00 73.11 C ATOM 633 C LEU A 40 -9.405 -18.899 -0.145 1.00 13.11 C ATOM 634 O LEU A 40 -9.958 -17.847 -0.472 1.00 24.53 O ATOM 635 CB LEU A 40 -10.589 -20.876 0.829 1.00 64.04 C ATOM 636 CG LEU A 40 -11.947 -21.569 0.715 1.00 61.04 C ATOM 637 CD1 LEU A 40 -12.358 -22.162 2.053 1.00 24.14 C ATOM 638 CD2 LEU A 40 -13.003 -20.594 0.215 1.00 42.13 C ATOM 0 H LEU A 40 -8.953 -22.033 -0.605 1.00 11.44 H new ATOM 0 HA LEU A 40 -10.869 -20.087 -1.151 1.00 73.11 H new ATOM 0 HB2 LEU A 40 -9.862 -21.603 1.190 1.00 64.04 H new ATOM 0 HB3 LEU A 40 -10.664 -20.096 1.587 1.00 64.04 H new ATOM 0 HG LEU A 40 -11.859 -22.381 -0.007 1.00 61.04 H new ATOM 0 HD11 LEU A 40 -13.327 -22.651 1.952 1.00 24.14 H new ATOM 0 HD12 LEU A 40 -11.614 -22.893 2.371 1.00 24.14 H new ATOM 0 HD13 LEU A 40 -12.428 -21.368 2.797 1.00 24.14 H new ATOM 0 HD21 LEU A 40 -13.963 -21.105 0.140 1.00 42.13 H new ATOM 0 HD22 LEU A 40 -13.089 -19.761 0.913 1.00 42.13 H new ATOM 0 HD23 LEU A 40 -12.715 -20.217 -0.766 1.00 42.13 H new ATOM 650 N LEU A 41 -8.237 -18.936 0.486 1.00 11.23 N ATOM 651 CA LEU A 41 -7.520 -17.716 0.840 1.00 45.21 C ATOM 652 C LEU A 41 -6.946 -17.042 -0.403 1.00 21.04 C ATOM 653 O LEU A 41 -6.976 -15.818 -0.526 1.00 12.15 O ATOM 654 CB LEU A 41 -6.395 -18.030 1.828 1.00 34.25 C ATOM 655 CG LEU A 41 -5.236 -18.864 1.283 1.00 25.00 C ATOM 656 CD1 LEU A 41 -4.156 -17.963 0.705 1.00 43.33 C ATOM 657 CD2 LEU A 41 -4.661 -19.756 2.374 1.00 44.12 C ATOM 0 H LEU A 41 -7.766 -19.797 0.763 1.00 11.23 H new ATOM 0 HA LEU A 41 -8.227 -17.032 1.309 1.00 45.21 H new ATOM 0 HB2 LEU A 41 -5.994 -17.088 2.202 1.00 34.25 H new ATOM 0 HB3 LEU A 41 -6.824 -18.555 2.681 1.00 34.25 H new ATOM 0 HG LEU A 41 -5.616 -19.500 0.484 1.00 25.00 H new ATOM 0 HD11 LEU A 41 -3.339 -18.574 0.322 1.00 43.33 H new ATOM 0 HD12 LEU A 41 -4.575 -17.367 -0.106 1.00 43.33 H new ATOM 0 HD13 LEU A 41 -3.779 -17.301 1.484 1.00 43.33 H new ATOM 0 HD21 LEU A 41 -3.837 -20.342 1.968 1.00 44.12 H new ATOM 0 HD22 LEU A 41 -4.297 -19.138 3.195 1.00 44.12 H new ATOM 0 HD23 LEU A 41 -5.437 -20.427 2.742 1.00 44.12 H new ATOM 669 N GLN A 42 -6.426 -17.850 -1.321 1.00 30.01 N ATOM 670 CA GLN A 42 -5.847 -17.331 -2.555 1.00 32.25 C ATOM 671 C GLN A 42 -6.865 -16.497 -3.325 1.00 14.12 C ATOM 672 O GLN A 42 -6.558 -15.399 -3.790 1.00 73.20 O ATOM 673 CB GLN A 42 -5.345 -18.481 -3.430 1.00 0.40 C ATOM 674 CG GLN A 42 -4.692 -18.020 -4.723 1.00 51.02 C ATOM 675 CD GLN A 42 -4.474 -19.155 -5.704 1.00 33.53 C ATOM 676 OE1 GLN A 42 -5.427 -19.789 -6.159 1.00 41.14 O ATOM 677 NE2 GLN A 42 -3.216 -19.419 -6.034 1.00 64.34 N ATOM 0 H GLN A 42 -6.394 -18.866 -1.234 1.00 30.01 H new ATOM 0 HA GLN A 42 -5.005 -16.690 -2.291 1.00 32.25 H new ATOM 0 HB2 GLN A 42 -4.628 -19.073 -2.861 1.00 0.40 H new ATOM 0 HB3 GLN A 42 -6.182 -19.137 -3.669 1.00 0.40 H new ATOM 0 HG2 GLN A 42 -5.316 -17.257 -5.189 1.00 51.02 H new ATOM 0 HG3 GLN A 42 -3.734 -17.553 -4.495 1.00 51.02 H new ATOM 0 HE21 GLN A 42 -2.457 -18.868 -5.633 1.00 64.34 H new ATOM 0 HE22 GLN A 42 -3.008 -20.173 -6.689 1.00 64.34 H new ATOM 686 N ARG A 43 -8.078 -17.025 -3.456 1.00 62.21 N ATOM 687 CA ARG A 43 -9.141 -16.330 -4.172 1.00 2.34 C ATOM 688 C ARG A 43 -10.087 -15.634 -3.197 1.00 40.04 C ATOM 689 O ARG A 43 -11.249 -15.380 -3.517 1.00 20.21 O ATOM 690 CB ARG A 43 -9.923 -17.311 -5.046 1.00 32.42 C ATOM 691 CG ARG A 43 -9.319 -17.513 -6.426 1.00 53.41 C ATOM 692 CD ARG A 43 -7.877 -17.985 -6.339 1.00 64.24 C ATOM 693 NE ARG A 43 -7.341 -18.350 -7.648 1.00 63.50 N ATOM 694 CZ ARG A 43 -7.030 -17.465 -8.588 1.00 54.13 C ATOM 695 NH1 ARG A 43 -7.201 -16.169 -8.366 1.00 33.24 N ATOM 696 NH2 ARG A 43 -6.547 -17.875 -9.754 1.00 74.11 N ATOM 0 H ARG A 43 -8.349 -17.932 -3.076 1.00 62.21 H new ATOM 0 HA ARG A 43 -8.682 -15.574 -4.809 1.00 2.34 H new ATOM 0 HB2 ARG A 43 -9.977 -18.274 -4.538 1.00 32.42 H new ATOM 0 HB3 ARG A 43 -10.946 -16.951 -5.156 1.00 32.42 H new ATOM 0 HG2 ARG A 43 -9.909 -18.243 -6.979 1.00 53.41 H new ATOM 0 HG3 ARG A 43 -9.364 -16.578 -6.984 1.00 53.41 H new ATOM 0 HD2 ARG A 43 -7.263 -17.197 -5.903 1.00 64.24 H new ATOM 0 HD3 ARG A 43 -7.816 -18.843 -5.670 1.00 64.24 H new ATOM 0 HE ARG A 43 -7.198 -19.339 -7.851 1.00 63.50 H new ATOM 0 HH11 ARG A 43 -7.572 -15.849 -7.471 1.00 33.24 H new ATOM 0 HH12 ARG A 43 -6.961 -15.492 -9.090 1.00 33.24 H new ATOM 0 HH21 ARG A 43 -6.414 -18.871 -9.929 1.00 74.11 H new ATOM 0 HH22 ARG A 43 -6.309 -17.194 -10.475 1.00 74.11 H new ATOM 710 N THR A 44 -9.582 -15.328 -2.006 1.00 41.13 N ATOM 711 CA THR A 44 -10.381 -14.663 -0.985 1.00 34.52 C ATOM 712 C THR A 44 -11.073 -13.427 -1.546 1.00 55.25 C ATOM 713 O THR A 44 -10.455 -12.615 -2.234 1.00 23.53 O ATOM 714 CB THR A 44 -9.519 -14.251 0.223 1.00 34.23 C ATOM 715 OG1 THR A 44 -10.349 -13.698 1.251 1.00 20.21 O ATOM 716 CG2 THR A 44 -8.465 -13.234 -0.186 1.00 62.23 C ATOM 0 H THR A 44 -8.623 -15.530 -1.725 1.00 41.13 H new ATOM 0 HA THR A 44 -11.134 -15.380 -0.657 1.00 34.52 H new ATOM 0 HB THR A 44 -9.015 -15.140 0.602 1.00 34.23 H new ATOM 0 HG1 THR A 44 -9.794 -13.440 2.016 1.00 20.21 H new ATOM 0 HG21 THR A 44 -7.869 -12.958 0.684 1.00 62.23 H new ATOM 0 HG22 THR A 44 -7.817 -13.668 -0.948 1.00 62.23 H new ATOM 0 HG23 THR A 44 -8.953 -12.346 -0.588 1.00 62.23 H new ATOM 724 N GLY A 45 -12.362 -13.289 -1.249 1.00 10.43 N ATOM 725 CA GLY A 45 -13.117 -12.147 -1.732 1.00 23.12 C ATOM 726 C GLY A 45 -14.064 -12.513 -2.857 1.00 41.35 C ATOM 727 O GLY A 45 -14.977 -11.753 -3.179 1.00 61.35 O ATOM 0 H GLY A 45 -12.897 -13.948 -0.683 1.00 10.43 H new ATOM 0 HA2 GLY A 45 -13.686 -11.716 -0.908 1.00 23.12 H new ATOM 0 HA3 GLY A 45 -12.426 -11.378 -2.078 1.00 23.12 H new ATOM 731 N GLU A 46 -13.845 -13.678 -3.458 1.00 30.40 N ATOM 732 CA GLU A 46 -14.686 -14.141 -4.556 1.00 44.10 C ATOM 733 C GLU A 46 -14.991 -15.630 -4.418 1.00 10.43 C ATOM 734 O GLU A 46 -14.193 -16.390 -3.871 1.00 24.44 O ATOM 735 CB GLU A 46 -14.003 -13.872 -5.899 1.00 1.33 C ATOM 736 CG GLU A 46 -12.548 -14.307 -5.940 1.00 22.13 C ATOM 737 CD GLU A 46 -12.003 -14.388 -7.352 1.00 63.24 C ATOM 738 OE1 GLU A 46 -11.728 -13.324 -7.945 1.00 24.02 O ATOM 739 OE2 GLU A 46 -11.851 -15.517 -7.865 1.00 52.13 O ATOM 0 H GLU A 46 -13.093 -14.318 -3.203 1.00 30.40 H new ATOM 0 HA GLU A 46 -15.626 -13.590 -4.517 1.00 44.10 H new ATOM 0 HB2 GLU A 46 -14.551 -14.391 -6.686 1.00 1.33 H new ATOM 0 HB3 GLU A 46 -14.061 -12.806 -6.119 1.00 1.33 H new ATOM 0 HG2 GLU A 46 -11.947 -13.605 -5.362 1.00 22.13 H new ATOM 0 HG3 GLU A 46 -12.450 -15.281 -5.460 1.00 22.13 H new ATOM 746 N VAL A 47 -16.153 -16.038 -4.917 1.00 71.32 N ATOM 747 CA VAL A 47 -16.565 -17.435 -4.850 1.00 71.35 C ATOM 748 C VAL A 47 -15.951 -18.244 -5.987 1.00 70.25 C ATOM 749 O VAL A 47 -16.118 -17.911 -7.162 1.00 25.14 O ATOM 750 CB VAL A 47 -18.098 -17.572 -4.908 1.00 12.33 C ATOM 751 CG1 VAL A 47 -18.518 -19.005 -4.619 1.00 10.13 C ATOM 752 CG2 VAL A 47 -18.755 -16.608 -3.931 1.00 52.23 C ATOM 0 H VAL A 47 -16.826 -15.421 -5.372 1.00 71.32 H new ATOM 0 HA VAL A 47 -16.209 -17.824 -3.896 1.00 71.35 H new ATOM 0 HB VAL A 47 -18.431 -17.318 -5.914 1.00 12.33 H new ATOM 0 HG11 VAL A 47 -19.604 -19.082 -4.664 1.00 10.13 H new ATOM 0 HG12 VAL A 47 -18.076 -19.670 -5.360 1.00 10.13 H new ATOM 0 HG13 VAL A 47 -18.175 -19.291 -3.625 1.00 10.13 H new ATOM 0 HG21 VAL A 47 -19.838 -16.718 -3.985 1.00 52.23 H new ATOM 0 HG22 VAL A 47 -18.417 -16.830 -2.919 1.00 52.23 H new ATOM 0 HG23 VAL A 47 -18.481 -15.585 -4.189 1.00 52.23 H new ATOM 762 N LEU A 48 -15.241 -19.309 -5.632 1.00 3.10 N ATOM 763 CA LEU A 48 -14.601 -20.168 -6.623 1.00 11.41 C ATOM 764 C LEU A 48 -15.264 -21.541 -6.663 1.00 11.34 C ATOM 765 O LEU A 48 -15.895 -21.981 -5.701 1.00 43.11 O ATOM 766 CB LEU A 48 -13.111 -20.317 -6.311 1.00 41.03 C ATOM 767 CG LEU A 48 -12.738 -20.380 -4.830 1.00 0.53 C ATOM 768 CD1 LEU A 48 -11.485 -21.218 -4.630 1.00 33.44 C ATOM 769 CD2 LEU A 48 -12.539 -18.978 -4.270 1.00 62.43 C ATOM 0 H LEU A 48 -15.094 -19.599 -4.665 1.00 3.10 H new ATOM 0 HA LEU A 48 -14.716 -19.701 -7.601 1.00 11.41 H new ATOM 0 HB2 LEU A 48 -12.748 -21.223 -6.795 1.00 41.03 H new ATOM 0 HB3 LEU A 48 -12.580 -19.479 -6.763 1.00 41.03 H new ATOM 0 HG LEU A 48 -13.557 -20.853 -4.289 1.00 0.53 H new ATOM 0 HD11 LEU A 48 -11.235 -21.251 -3.570 1.00 33.44 H new ATOM 0 HD12 LEU A 48 -11.663 -22.230 -4.993 1.00 33.44 H new ATOM 0 HD13 LEU A 48 -10.658 -20.774 -5.184 1.00 33.44 H new ATOM 0 HD21 LEU A 48 -12.274 -19.042 -3.215 1.00 62.43 H new ATOM 0 HD22 LEU A 48 -11.738 -18.479 -4.816 1.00 62.43 H new ATOM 0 HD23 LEU A 48 -13.462 -18.408 -4.378 1.00 62.43 H new ATOM 781 N PRO A 49 -15.118 -22.236 -7.800 1.00 63.12 N ATOM 782 CA PRO A 49 -15.693 -23.571 -7.992 1.00 1.24 C ATOM 783 C PRO A 49 -14.999 -24.629 -7.141 1.00 3.34 C ATOM 784 O PRO A 49 -13.771 -24.708 -7.112 1.00 5.11 O ATOM 785 CB PRO A 49 -15.463 -23.846 -9.480 1.00 23.13 C ATOM 786 CG PRO A 49 -14.287 -23.006 -9.843 1.00 13.00 C ATOM 787 CD PRO A 49 -14.379 -21.773 -8.987 1.00 30.21 C ATOM 0 HA PRO A 49 -16.741 -23.610 -7.695 1.00 1.24 H new ATOM 0 HB2 PRO A 49 -15.266 -24.903 -9.662 1.00 23.13 H new ATOM 0 HB3 PRO A 49 -16.338 -23.579 -10.072 1.00 23.13 H new ATOM 0 HG2 PRO A 49 -13.355 -23.540 -9.659 1.00 13.00 H new ATOM 0 HG3 PRO A 49 -14.304 -22.748 -10.902 1.00 13.00 H new ATOM 0 HD2 PRO A 49 -13.392 -21.393 -8.723 1.00 30.21 H new ATOM 0 HD3 PRO A 49 -14.905 -20.967 -9.499 1.00 30.21 H new ATOM 795 N ARG A 50 -15.793 -25.440 -6.449 1.00 43.22 N ATOM 796 CA ARG A 50 -15.254 -26.493 -5.597 1.00 3.42 C ATOM 797 C ARG A 50 -14.531 -27.549 -6.428 1.00 52.42 C ATOM 798 O ARG A 50 -13.632 -28.231 -5.938 1.00 4.35 O ATOM 799 CB ARG A 50 -16.375 -27.146 -4.786 1.00 44.40 C ATOM 800 CG ARG A 50 -15.965 -28.450 -4.121 1.00 52.41 C ATOM 801 CD ARG A 50 -17.102 -29.036 -3.299 1.00 22.43 C ATOM 802 NE ARG A 50 -17.050 -30.495 -3.256 1.00 70.31 N ATOM 803 CZ ARG A 50 -17.279 -31.270 -4.311 1.00 2.13 C ATOM 804 NH1 ARG A 50 -17.573 -30.728 -5.484 1.00 41.33 N ATOM 805 NH2 ARG A 50 -17.213 -32.590 -4.193 1.00 1.03 N ATOM 0 H ARG A 50 -16.812 -25.388 -6.462 1.00 43.22 H new ATOM 0 HA ARG A 50 -14.536 -26.040 -4.913 1.00 3.42 H new ATOM 0 HB2 ARG A 50 -16.712 -26.448 -4.020 1.00 44.40 H new ATOM 0 HB3 ARG A 50 -17.225 -27.334 -5.442 1.00 44.40 H new ATOM 0 HG2 ARG A 50 -15.657 -29.167 -4.882 1.00 52.41 H new ATOM 0 HG3 ARG A 50 -15.102 -28.277 -3.479 1.00 52.41 H new ATOM 0 HD2 ARG A 50 -17.056 -28.641 -2.284 1.00 22.43 H new ATOM 0 HD3 ARG A 50 -18.056 -28.719 -3.722 1.00 22.43 H new ATOM 0 HE ARG A 50 -16.826 -30.944 -2.368 1.00 70.31 H new ATOM 0 HH11 ARG A 50 -17.624 -29.714 -5.579 1.00 41.33 H new ATOM 0 HH12 ARG A 50 -17.748 -31.325 -6.292 1.00 41.33 H new ATOM 0 HH21 ARG A 50 -16.986 -33.011 -3.292 1.00 1.03 H new ATOM 0 HH22 ARG A 50 -17.389 -33.184 -5.003 1.00 1.03 H new ATOM 819 N SER A 51 -14.932 -27.678 -7.689 1.00 2.10 N ATOM 820 CA SER A 51 -14.326 -28.654 -8.587 1.00 42.44 C ATOM 821 C SER A 51 -12.806 -28.515 -8.595 1.00 55.31 C ATOM 822 O SER A 51 -12.080 -29.507 -8.526 1.00 31.05 O ATOM 823 CB SER A 51 -14.872 -28.481 -10.006 1.00 13.32 C ATOM 824 OG SER A 51 -16.228 -28.887 -10.083 1.00 42.40 O ATOM 0 H SER A 51 -15.673 -27.119 -8.111 1.00 2.10 H new ATOM 0 HA SER A 51 -14.581 -29.650 -8.226 1.00 42.44 H new ATOM 0 HB2 SER A 51 -14.784 -27.438 -10.308 1.00 13.32 H new ATOM 0 HB3 SER A 51 -14.273 -29.067 -10.703 1.00 13.32 H new ATOM 0 HG SER A 51 -16.554 -28.765 -10.999 1.00 42.40 H new ATOM 830 N LEU A 52 -12.333 -27.277 -8.680 1.00 44.44 N ATOM 831 CA LEU A 52 -10.899 -27.006 -8.697 1.00 52.54 C ATOM 832 C LEU A 52 -10.240 -27.481 -7.407 1.00 2.23 C ATOM 833 O LEU A 52 -9.264 -28.232 -7.437 1.00 15.13 O ATOM 834 CB LEU A 52 -10.645 -25.510 -8.892 1.00 54.34 C ATOM 835 CG LEU A 52 -9.190 -25.100 -9.119 1.00 41.14 C ATOM 836 CD1 LEU A 52 -9.118 -23.807 -9.917 1.00 65.11 C ATOM 837 CD2 LEU A 52 -8.465 -24.950 -7.790 1.00 45.21 C ATOM 0 H LEU A 52 -12.920 -26.445 -8.738 1.00 44.44 H new ATOM 0 HA LEU A 52 -10.460 -27.555 -9.531 1.00 52.54 H new ATOM 0 HB2 LEU A 52 -11.234 -25.170 -9.744 1.00 54.34 H new ATOM 0 HB3 LEU A 52 -11.018 -24.981 -8.015 1.00 54.34 H new ATOM 0 HG LEU A 52 -8.697 -25.885 -9.693 1.00 41.14 H new ATOM 0 HD11 LEU A 52 -8.075 -23.531 -10.069 1.00 65.11 H new ATOM 0 HD12 LEU A 52 -9.600 -23.949 -10.884 1.00 65.11 H new ATOM 0 HD13 LEU A 52 -9.628 -23.013 -9.371 1.00 65.11 H new ATOM 0 HD21 LEU A 52 -7.431 -24.658 -7.971 1.00 45.21 H new ATOM 0 HD22 LEU A 52 -8.959 -24.185 -7.191 1.00 45.21 H new ATOM 0 HD23 LEU A 52 -8.486 -25.900 -7.255 1.00 45.21 H new ATOM 849 N ILE A 53 -10.780 -27.040 -6.276 1.00 3.05 N ATOM 850 CA ILE A 53 -10.246 -27.423 -4.975 1.00 24.24 C ATOM 851 C ILE A 53 -10.110 -28.938 -4.860 1.00 55.23 C ATOM 852 O ILE A 53 -9.029 -29.456 -4.582 1.00 41.34 O ATOM 853 CB ILE A 53 -11.136 -26.910 -3.827 1.00 61.52 C ATOM 854 CG1 ILE A 53 -11.280 -25.389 -3.905 1.00 73.33 C ATOM 855 CG2 ILE A 53 -10.558 -27.325 -2.482 1.00 44.24 C ATOM 856 CD1 ILE A 53 -12.556 -24.870 -3.279 1.00 61.45 C ATOM 0 H ILE A 53 -11.587 -26.417 -6.234 1.00 3.05 H new ATOM 0 HA ILE A 53 -9.260 -26.965 -4.892 1.00 24.24 H new ATOM 0 HB ILE A 53 -12.126 -27.355 -3.928 1.00 61.52 H new ATOM 0 HG12 ILE A 53 -10.427 -24.925 -3.409 1.00 73.33 H new ATOM 0 HG13 ILE A 53 -11.247 -25.082 -4.950 1.00 73.33 H new ATOM 0 HG21 ILE A 53 -11.198 -26.955 -1.681 1.00 44.24 H new ATOM 0 HG22 ILE A 53 -10.503 -28.412 -2.430 1.00 44.24 H new ATOM 0 HG23 ILE A 53 -9.558 -26.905 -2.371 1.00 44.24 H new ATOM 0 HD11 ILE A 53 -12.591 -23.784 -3.371 1.00 61.45 H new ATOM 0 HD12 ILE A 53 -13.415 -25.305 -3.790 1.00 61.45 H new ATOM 0 HD13 ILE A 53 -12.583 -25.146 -2.225 1.00 61.45 H new ATOM 868 N SER A 54 -11.216 -29.643 -5.078 1.00 62.23 N ATOM 869 CA SER A 54 -11.222 -31.099 -4.998 1.00 22.20 C ATOM 870 C SER A 54 -10.144 -31.697 -5.897 1.00 21.21 C ATOM 871 O SER A 54 -9.597 -32.761 -5.606 1.00 2.35 O ATOM 872 CB SER A 54 -12.594 -31.647 -5.394 1.00 71.31 C ATOM 873 OG SER A 54 -12.734 -33.003 -5.004 1.00 42.44 O ATOM 0 H SER A 54 -12.119 -29.230 -5.311 1.00 62.23 H new ATOM 0 HA SER A 54 -11.009 -31.382 -3.967 1.00 22.20 H new ATOM 0 HB2 SER A 54 -13.377 -31.049 -4.927 1.00 71.31 H new ATOM 0 HB3 SER A 54 -12.726 -31.560 -6.472 1.00 71.31 H new ATOM 0 HG SER A 54 -13.293 -33.475 -5.656 1.00 42.44 H new ATOM 879 N SER A 55 -9.844 -31.005 -6.991 1.00 71.35 N ATOM 880 CA SER A 55 -8.835 -31.469 -7.936 1.00 44.32 C ATOM 881 C SER A 55 -7.431 -31.281 -7.367 1.00 74.24 C ATOM 882 O SER A 55 -6.516 -32.046 -7.676 1.00 34.25 O ATOM 883 CB SER A 55 -8.964 -30.718 -9.263 1.00 10.53 C ATOM 884 OG SER A 55 -8.240 -31.370 -10.291 1.00 73.43 O ATOM 0 H SER A 55 -10.285 -30.121 -7.245 1.00 71.35 H new ATOM 0 HA SER A 55 -8.999 -32.532 -8.111 1.00 44.32 H new ATOM 0 HB2 SER A 55 -10.015 -30.647 -9.543 1.00 10.53 H new ATOM 0 HB3 SER A 55 -8.596 -29.699 -9.145 1.00 10.53 H new ATOM 0 HG SER A 55 -8.340 -30.871 -11.129 1.00 73.43 H new ATOM 890 N LEU A 56 -7.269 -30.258 -6.535 1.00 72.44 N ATOM 891 CA LEU A 56 -5.978 -29.969 -5.922 1.00 3.50 C ATOM 892 C LEU A 56 -5.643 -30.997 -4.847 1.00 25.14 C ATOM 893 O LEU A 56 -4.524 -31.033 -4.335 1.00 25.53 O ATOM 894 CB LEU A 56 -5.982 -28.564 -5.316 1.00 54.25 C ATOM 895 CG LEU A 56 -5.218 -27.494 -6.097 1.00 1.00 C ATOM 896 CD1 LEU A 56 -3.718 -27.684 -5.934 1.00 61.01 C ATOM 897 CD2 LEU A 56 -5.605 -27.528 -7.568 1.00 71.42 C ATOM 0 H LEU A 56 -8.015 -29.615 -6.270 1.00 72.44 H new ATOM 0 HA LEU A 56 -5.215 -30.021 -6.699 1.00 3.50 H new ATOM 0 HB2 LEU A 56 -7.017 -28.239 -5.210 1.00 54.25 H new ATOM 0 HB3 LEU A 56 -5.562 -28.622 -4.312 1.00 54.25 H new ATOM 0 HG LEU A 56 -5.486 -26.517 -5.695 1.00 1.00 H new ATOM 0 HD11 LEU A 56 -3.190 -26.914 -6.497 1.00 61.01 H new ATOM 0 HD12 LEU A 56 -3.454 -27.608 -4.879 1.00 61.01 H new ATOM 0 HD13 LEU A 56 -3.433 -28.667 -6.309 1.00 61.01 H new ATOM 0 HD21 LEU A 56 -5.051 -26.760 -8.108 1.00 71.42 H new ATOM 0 HD22 LEU A 56 -5.367 -28.507 -7.984 1.00 71.42 H new ATOM 0 HD23 LEU A 56 -6.674 -27.342 -7.667 1.00 71.42 H new ATOM 909 N VAL A 57 -6.619 -31.833 -4.510 1.00 33.51 N ATOM 910 CA VAL A 57 -6.427 -32.865 -3.498 1.00 33.40 C ATOM 911 C VAL A 57 -6.750 -34.248 -4.054 1.00 41.45 C ATOM 912 O VAL A 57 -5.851 -35.039 -4.338 1.00 44.12 O ATOM 913 CB VAL A 57 -7.304 -32.606 -2.258 1.00 43.23 C ATOM 914 CG1 VAL A 57 -6.475 -32.002 -1.135 1.00 43.41 C ATOM 915 CG2 VAL A 57 -8.474 -31.702 -2.614 1.00 13.32 C ATOM 0 H VAL A 57 -7.551 -31.816 -4.923 1.00 33.51 H new ATOM 0 HA VAL A 57 -5.377 -32.829 -3.206 1.00 33.40 H new ATOM 0 HB VAL A 57 -7.703 -33.559 -1.910 1.00 43.23 H new ATOM 0 HG11 VAL A 57 -7.111 -31.826 -0.267 1.00 43.41 H new ATOM 0 HG12 VAL A 57 -5.674 -32.689 -0.864 1.00 43.41 H new ATOM 0 HG13 VAL A 57 -6.045 -31.057 -1.468 1.00 43.41 H new ATOM 0 HG21 VAL A 57 -9.083 -31.529 -1.727 1.00 13.32 H new ATOM 0 HG22 VAL A 57 -8.098 -30.749 -2.987 1.00 13.32 H new ATOM 0 HG23 VAL A 57 -9.081 -32.179 -3.384 1.00 13.32 H new ATOM 925 N TRP A 58 -8.038 -34.531 -4.208 1.00 71.14 N ATOM 926 CA TRP A 58 -8.480 -35.819 -4.732 1.00 1.30 C ATOM 927 C TRP A 58 -8.411 -35.840 -6.255 1.00 2.21 C ATOM 928 O TRP A 58 -7.513 -36.448 -6.836 1.00 74.40 O ATOM 929 CB TRP A 58 -9.907 -36.118 -4.270 1.00 1.03 C ATOM 930 CG TRP A 58 -10.456 -37.396 -4.827 1.00 20.40 C ATOM 931 CD1 TRP A 58 -11.114 -37.558 -6.013 1.00 3.21 C ATOM 932 CD2 TRP A 58 -10.396 -38.691 -4.219 1.00 74.55 C ATOM 933 NE1 TRP A 58 -11.467 -38.875 -6.179 1.00 63.32 N ATOM 934 CE2 TRP A 58 -11.037 -39.591 -5.093 1.00 73.44 C ATOM 935 CE3 TRP A 58 -9.862 -39.179 -3.024 1.00 14.13 C ATOM 936 CZ2 TRP A 58 -11.158 -40.948 -4.807 1.00 32.55 C ATOM 937 CZ3 TRP A 58 -9.983 -40.526 -2.740 1.00 54.03 C ATOM 938 CH2 TRP A 58 -10.626 -41.398 -3.629 1.00 33.43 C ATOM 0 H TRP A 58 -8.795 -33.887 -3.978 1.00 71.14 H new ATOM 0 HA TRP A 58 -7.812 -36.589 -4.346 1.00 1.30 H new ATOM 0 HB2 TRP A 58 -9.926 -36.167 -3.181 1.00 1.03 H new ATOM 0 HB3 TRP A 58 -10.557 -35.293 -4.564 1.00 1.03 H new ATOM 0 HD1 TRP A 58 -11.326 -36.767 -6.717 1.00 3.21 H new ATOM 0 HE1 TRP A 58 -11.968 -39.258 -6.981 1.00 63.32 H new ATOM 0 HE3 TRP A 58 -9.363 -38.515 -2.334 1.00 14.13 H new ATOM 0 HZ2 TRP A 58 -11.654 -41.622 -5.490 1.00 32.55 H new ATOM 0 HZ3 TRP A 58 -9.575 -40.913 -1.818 1.00 54.03 H new ATOM 0 HH2 TRP A 58 -10.703 -42.446 -3.380 1.00 33.43 H new ATOM 949 N ASN A 59 -9.364 -35.171 -6.896 1.00 30.13 N ATOM 950 CA ASN A 59 -9.411 -35.114 -8.352 1.00 44.12 C ATOM 951 C ASN A 59 -10.604 -34.290 -8.826 1.00 70.35 C ATOM 952 O ASN A 59 -11.433 -33.861 -8.024 1.00 45.33 O ATOM 953 CB ASN A 59 -9.487 -36.526 -8.937 1.00 4.14 C ATOM 954 CG ASN A 59 -8.445 -36.763 -10.013 1.00 51.22 C ATOM 955 OD1 ASN A 59 -7.268 -36.452 -9.833 1.00 24.15 O ATOM 956 ND2 ASN A 59 -8.876 -37.316 -11.141 1.00 43.32 N ATOM 0 H ASN A 59 -10.114 -34.661 -6.430 1.00 30.13 H new ATOM 0 HA ASN A 59 -8.498 -34.632 -8.701 1.00 44.12 H new ATOM 0 HB2 ASN A 59 -9.352 -37.255 -8.138 1.00 4.14 H new ATOM 0 HB3 ASN A 59 -10.480 -36.690 -9.355 1.00 4.14 H new ATOM 0 HD21 ASN A 59 -8.222 -37.499 -11.902 1.00 43.32 H new ATOM 0 HD22 ASN A 59 -9.861 -37.558 -11.247 1.00 43.32 H new ATOM 963 N MET A 60 -10.685 -34.075 -10.135 1.00 44.24 N ATOM 964 CA MET A 60 -11.778 -33.304 -10.717 1.00 22.32 C ATOM 965 C MET A 60 -12.752 -34.216 -11.456 1.00 14.32 C ATOM 966 O MET A 60 -12.353 -35.218 -12.047 1.00 23.05 O ATOM 967 CB MET A 60 -11.230 -32.242 -11.672 1.00 60.31 C ATOM 968 CG MET A 60 -10.731 -32.811 -12.991 1.00 1.43 C ATOM 969 SD MET A 60 -9.387 -31.840 -13.701 1.00 74.20 S ATOM 970 CE MET A 60 -10.263 -30.926 -14.968 1.00 71.11 C ATOM 0 H MET A 60 -10.007 -34.424 -10.813 1.00 44.24 H new ATOM 0 HA MET A 60 -12.314 -32.810 -9.906 1.00 22.32 H new ATOM 0 HB2 MET A 60 -12.011 -31.509 -11.874 1.00 60.31 H new ATOM 0 HB3 MET A 60 -10.414 -31.711 -11.182 1.00 60.31 H new ATOM 0 HG2 MET A 60 -10.392 -33.835 -12.835 1.00 1.43 H new ATOM 0 HG3 MET A 60 -11.558 -32.853 -13.700 1.00 1.43 H new ATOM 0 HE1 MET A 60 -9.565 -30.278 -15.498 1.00 71.11 H new ATOM 0 HE2 MET A 60 -10.716 -31.624 -15.672 1.00 71.11 H new ATOM 0 HE3 MET A 60 -11.042 -30.319 -14.506 1.00 71.11 H new ATOM 980 N ASN A 61 -14.033 -33.860 -11.418 1.00 24.50 N ATOM 981 CA ASN A 61 -15.064 -34.648 -12.084 1.00 12.52 C ATOM 982 C ASN A 61 -16.410 -33.930 -12.039 1.00 43.32 C ATOM 983 O ASN A 61 -16.681 -33.153 -11.123 1.00 33.40 O ATOM 984 CB ASN A 61 -15.186 -36.025 -11.429 1.00 14.12 C ATOM 985 CG ASN A 61 -14.446 -37.100 -12.201 1.00 5.25 C ATOM 986 OD1 ASN A 61 -14.296 -37.013 -13.419 1.00 43.14 O ATOM 987 ND2 ASN A 61 -13.978 -38.121 -11.492 1.00 10.12 N ATOM 0 H ASN A 61 -14.381 -33.032 -10.934 1.00 24.50 H new ATOM 0 HA ASN A 61 -14.773 -34.774 -13.127 1.00 12.52 H new ATOM 0 HB2 ASN A 61 -14.795 -35.977 -10.413 1.00 14.12 H new ATOM 0 HB3 ASN A 61 -16.239 -36.296 -11.353 1.00 14.12 H new ATOM 0 HD21 ASN A 61 -13.471 -38.874 -11.956 1.00 10.12 H new ATOM 0 HD22 ASN A 61 -14.126 -38.152 -10.483 1.00 10.12 H new ATOM 994 N PHE A 62 -17.249 -34.195 -13.035 1.00 20.12 N ATOM 995 CA PHE A 62 -18.566 -33.575 -13.110 1.00 55.40 C ATOM 996 C PHE A 62 -19.376 -33.862 -11.849 1.00 4.54 C ATOM 997 O PHE A 62 -20.264 -33.093 -11.480 1.00 30.12 O ATOM 998 CB PHE A 62 -19.322 -34.080 -14.340 1.00 73.44 C ATOM 999 CG PHE A 62 -20.544 -33.270 -14.669 1.00 24.02 C ATOM 1000 CD1 PHE A 62 -20.425 -32.025 -15.266 1.00 34.32 C ATOM 1001 CD2 PHE A 62 -21.810 -33.753 -14.380 1.00 2.20 C ATOM 1002 CE1 PHE A 62 -21.547 -31.277 -15.570 1.00 32.13 C ATOM 1003 CE2 PHE A 62 -22.935 -33.009 -14.682 1.00 31.41 C ATOM 1004 CZ PHE A 62 -22.804 -31.770 -15.276 1.00 44.43 C ATOM 0 H PHE A 62 -17.040 -34.835 -13.801 1.00 20.12 H new ATOM 0 HA PHE A 62 -18.427 -32.497 -13.194 1.00 55.40 H new ATOM 0 HB2 PHE A 62 -18.650 -34.073 -15.198 1.00 73.44 H new ATOM 0 HB3 PHE A 62 -19.617 -35.116 -14.175 1.00 73.44 H new ATOM 0 HD1 PHE A 62 -19.445 -31.635 -15.496 1.00 34.32 H new ATOM 0 HD2 PHE A 62 -21.919 -34.721 -13.914 1.00 2.20 H new ATOM 0 HE1 PHE A 62 -21.441 -30.309 -16.037 1.00 32.13 H new ATOM 0 HE2 PHE A 62 -23.917 -33.397 -14.453 1.00 31.41 H new ATOM 0 HZ PHE A 62 -23.682 -31.187 -15.511 1.00 44.43 H new ATOM 1014 N ASP A 63 -19.062 -34.973 -11.192 1.00 1.10 N ATOM 1015 CA ASP A 63 -19.759 -35.362 -9.971 1.00 65.45 C ATOM 1016 C ASP A 63 -19.081 -34.761 -8.744 1.00 33.42 C ATOM 1017 O ASP A 63 -18.205 -33.905 -8.863 1.00 23.52 O ATOM 1018 CB ASP A 63 -19.804 -36.886 -9.849 1.00 74.32 C ATOM 1019 CG ASP A 63 -21.204 -37.404 -9.580 1.00 3.34 C ATOM 1020 OD1 ASP A 63 -21.975 -36.700 -8.893 1.00 62.25 O ATOM 1021 OD2 ASP A 63 -21.528 -38.512 -10.055 1.00 50.43 O ATOM 0 H ASP A 63 -18.330 -35.620 -11.484 1.00 1.10 H new ATOM 0 HA ASP A 63 -20.778 -34.979 -10.025 1.00 65.45 H new ATOM 0 HB2 ASP A 63 -19.425 -37.333 -10.768 1.00 74.32 H new ATOM 0 HB3 ASP A 63 -19.141 -37.203 -9.044 1.00 74.32 H new ATOM 1026 N SER A 64 -19.495 -35.215 -7.565 1.00 2.33 N ATOM 1027 CA SER A 64 -18.932 -34.718 -6.315 1.00 24.24 C ATOM 1028 C SER A 64 -18.407 -35.868 -5.461 1.00 22.35 C ATOM 1029 O SER A 64 -19.104 -36.858 -5.236 1.00 13.55 O ATOM 1030 CB SER A 64 -19.984 -33.928 -5.535 1.00 12.02 C ATOM 1031 OG SER A 64 -19.800 -34.074 -4.137 1.00 42.04 O ATOM 0 H SER A 64 -20.218 -35.926 -7.449 1.00 2.33 H new ATOM 0 HA SER A 64 -18.099 -34.058 -6.558 1.00 24.24 H new ATOM 0 HB2 SER A 64 -19.925 -32.873 -5.804 1.00 12.02 H new ATOM 0 HB3 SER A 64 -20.981 -34.272 -5.812 1.00 12.02 H new ATOM 0 HG SER A 64 -20.431 -33.494 -3.662 1.00 42.04 H new ATOM 1037 N ASP A 65 -17.173 -35.731 -4.988 1.00 1.51 N ATOM 1038 CA ASP A 65 -16.553 -36.757 -4.157 1.00 52.35 C ATOM 1039 C ASP A 65 -17.126 -36.731 -2.744 1.00 2.32 C ATOM 1040 O ASP A 65 -16.513 -36.189 -1.823 1.00 42.13 O ATOM 1041 CB ASP A 65 -15.037 -36.558 -4.111 1.00 34.52 C ATOM 1042 CG ASP A 65 -14.441 -36.331 -5.486 1.00 24.22 C ATOM 1043 OD1 ASP A 65 -14.542 -37.242 -6.335 1.00 3.32 O ATOM 1044 OD2 ASP A 65 -13.873 -35.242 -5.713 1.00 72.43 O ATOM 0 H ASP A 65 -16.582 -34.919 -5.166 1.00 1.51 H new ATOM 0 HA ASP A 65 -16.770 -37.729 -4.599 1.00 52.35 H new ATOM 0 HB2 ASP A 65 -14.805 -35.706 -3.472 1.00 34.52 H new ATOM 0 HB3 ASP A 65 -14.572 -37.433 -3.657 1.00 34.52 H new ATOM 1049 N THR A 66 -18.306 -37.319 -2.578 1.00 35.11 N ATOM 1050 CA THR A 66 -18.963 -37.362 -1.278 1.00 12.44 C ATOM 1051 C THR A 66 -18.833 -36.027 -0.552 1.00 21.41 C ATOM 1052 O THR A 66 -18.714 -35.985 0.672 1.00 44.13 O ATOM 1053 CB THR A 66 -18.378 -38.476 -0.389 1.00 15.30 C ATOM 1054 OG1 THR A 66 -19.139 -38.589 0.819 1.00 73.12 O ATOM 1055 CG2 THR A 66 -16.923 -38.191 -0.052 1.00 65.02 C ATOM 0 H THR A 66 -18.827 -37.773 -3.329 1.00 35.11 H new ATOM 0 HA THR A 66 -20.017 -37.571 -1.463 1.00 12.44 H new ATOM 0 HB THR A 66 -18.430 -39.415 -0.940 1.00 15.30 H new ATOM 0 HG1 THR A 66 -19.279 -37.698 1.202 1.00 73.12 H new ATOM 0 HG21 THR A 66 -16.532 -38.991 0.576 1.00 65.02 H new ATOM 0 HG22 THR A 66 -16.341 -38.134 -0.972 1.00 65.02 H new ATOM 0 HG23 THR A 66 -16.852 -37.243 0.481 1.00 65.02 H new ATOM 1063 N ASN A 67 -18.857 -34.939 -1.315 1.00 32.33 N ATOM 1064 CA ASN A 67 -18.742 -33.603 -0.743 1.00 42.52 C ATOM 1065 C ASN A 67 -17.637 -33.554 0.308 1.00 14.12 C ATOM 1066 O ASN A 67 -17.789 -32.923 1.354 1.00 4.15 O ATOM 1067 CB ASN A 67 -20.073 -33.174 -0.121 1.00 64.53 C ATOM 1068 CG ASN A 67 -21.246 -33.401 -1.054 1.00 73.34 C ATOM 1069 OD1 ASN A 67 -21.302 -32.629 -2.133 1.00 73.01 O flip ATOM 1070 ND2 ASN A 67 -22.092 -34.261 -0.808 1.00 52.12 N flip ATOM 0 H ASN A 67 -18.955 -34.957 -2.330 1.00 32.33 H new ATOM 0 HA ASN A 67 -18.486 -32.913 -1.546 1.00 42.52 H new ATOM 0 HB2 ASN A 67 -20.235 -33.729 0.803 1.00 64.53 H new ATOM 0 HB3 ASN A 67 -20.023 -32.118 0.145 1.00 64.53 H new ATOM 0 HD21 ASN A 67 -22.009 -34.832 0.033 1.00 52.12 H new ATOM 0 HD22 ASN A 67 -22.876 -34.403 -1.445 1.00 52.12 H new ATOM 1077 N VAL A 68 -16.526 -34.224 0.022 1.00 23.33 N ATOM 1078 CA VAL A 68 -15.395 -34.257 0.942 1.00 44.43 C ATOM 1079 C VAL A 68 -14.874 -32.851 1.222 1.00 31.42 C ATOM 1080 O VAL A 68 -14.325 -32.584 2.291 1.00 3.03 O ATOM 1081 CB VAL A 68 -14.244 -35.117 0.386 1.00 11.12 C ATOM 1082 CG1 VAL A 68 -13.771 -34.575 -0.954 1.00 3.12 C ATOM 1083 CG2 VAL A 68 -13.096 -35.177 1.382 1.00 63.30 C ATOM 0 H VAL A 68 -16.384 -34.751 -0.839 1.00 23.33 H new ATOM 0 HA VAL A 68 -15.755 -34.701 1.870 1.00 44.43 H new ATOM 0 HB VAL A 68 -14.613 -36.131 0.230 1.00 11.12 H new ATOM 0 HG11 VAL A 68 -12.958 -35.195 -1.331 1.00 3.12 H new ATOM 0 HG12 VAL A 68 -14.598 -34.589 -1.664 1.00 3.12 H new ATOM 0 HG13 VAL A 68 -13.418 -33.551 -0.828 1.00 3.12 H new ATOM 0 HG21 VAL A 68 -12.291 -35.788 0.973 1.00 63.30 H new ATOM 0 HG22 VAL A 68 -12.726 -34.169 1.572 1.00 63.30 H new ATOM 0 HG23 VAL A 68 -13.447 -35.616 2.316 1.00 63.30 H new ATOM 1093 N ILE A 69 -15.051 -31.957 0.256 1.00 70.15 N ATOM 1094 CA ILE A 69 -14.601 -30.578 0.399 1.00 25.33 C ATOM 1095 C ILE A 69 -15.361 -29.864 1.511 1.00 35.54 C ATOM 1096 O ILE A 69 -14.765 -29.373 2.470 1.00 63.52 O ATOM 1097 CB ILE A 69 -14.772 -29.790 -0.913 1.00 33.23 C ATOM 1098 CG1 ILE A 69 -13.970 -30.448 -2.037 1.00 71.22 C ATOM 1099 CG2 ILE A 69 -14.340 -28.344 -0.722 1.00 61.03 C ATOM 1100 CD1 ILE A 69 -12.475 -30.413 -1.813 1.00 44.00 C ATOM 0 H ILE A 69 -15.503 -32.163 -0.635 1.00 70.15 H new ATOM 0 HA ILE A 69 -13.542 -30.617 0.653 1.00 25.33 H new ATOM 0 HB ILE A 69 -15.826 -29.800 -1.191 1.00 33.23 H new ATOM 0 HG12 ILE A 69 -14.289 -31.485 -2.141 1.00 71.22 H new ATOM 0 HG13 ILE A 69 -14.200 -29.948 -2.978 1.00 71.22 H new ATOM 0 HG21 ILE A 69 -14.467 -27.800 -1.658 1.00 61.03 H new ATOM 0 HG22 ILE A 69 -14.951 -27.881 0.053 1.00 61.03 H new ATOM 0 HG23 ILE A 69 -13.292 -28.314 -0.424 1.00 61.03 H new ATOM 0 HD11 ILE A 69 -11.970 -30.897 -2.649 1.00 44.00 H new ATOM 0 HD12 ILE A 69 -12.142 -29.378 -1.739 1.00 44.00 H new ATOM 0 HD13 ILE A 69 -12.233 -30.939 -0.889 1.00 44.00 H new ATOM 1112 N ASP A 70 -16.682 -29.812 1.378 1.00 71.32 N ATOM 1113 CA ASP A 70 -17.526 -29.161 2.373 1.00 72.11 C ATOM 1114 C ASP A 70 -17.270 -29.736 3.763 1.00 41.34 C ATOM 1115 O ASP A 70 -17.183 -28.998 4.744 1.00 25.24 O ATOM 1116 CB ASP A 70 -19.002 -29.322 2.005 1.00 60.20 C ATOM 1117 CG ASP A 70 -19.919 -28.571 2.950 1.00 54.15 C ATOM 1118 OD1 ASP A 70 -20.202 -29.097 4.046 1.00 33.24 O ATOM 1119 OD2 ASP A 70 -20.354 -27.456 2.592 1.00 21.14 O ATOM 0 H ASP A 70 -17.191 -30.213 0.591 1.00 71.32 H new ATOM 0 HA ASP A 70 -17.277 -28.100 2.387 1.00 72.11 H new ATOM 0 HB2 ASP A 70 -19.161 -28.964 0.988 1.00 60.20 H new ATOM 0 HB3 ASP A 70 -19.263 -30.380 2.015 1.00 60.20 H new ATOM 1124 N VAL A 71 -17.151 -31.058 3.838 1.00 14.43 N ATOM 1125 CA VAL A 71 -16.905 -31.732 5.107 1.00 13.45 C ATOM 1126 C VAL A 71 -15.517 -31.402 5.644 1.00 30.35 C ATOM 1127 O VAL A 71 -15.317 -31.298 6.854 1.00 10.32 O ATOM 1128 CB VAL A 71 -17.040 -33.259 4.967 1.00 33.50 C ATOM 1129 CG1 VAL A 71 -16.751 -33.946 6.293 1.00 3.53 C ATOM 1130 CG2 VAL A 71 -18.426 -33.627 4.459 1.00 52.03 C ATOM 0 H VAL A 71 -17.221 -31.683 3.035 1.00 14.43 H new ATOM 0 HA VAL A 71 -17.658 -31.372 5.808 1.00 13.45 H new ATOM 0 HB VAL A 71 -16.306 -33.605 4.239 1.00 33.50 H new ATOM 0 HG11 VAL A 71 -16.852 -35.025 6.173 1.00 3.53 H new ATOM 0 HG12 VAL A 71 -15.736 -33.709 6.612 1.00 3.53 H new ATOM 0 HG13 VAL A 71 -17.458 -33.597 7.045 1.00 3.53 H new ATOM 0 HG21 VAL A 71 -18.504 -34.710 4.366 1.00 52.03 H new ATOM 0 HG22 VAL A 71 -19.178 -33.268 5.162 1.00 52.03 H new ATOM 0 HG23 VAL A 71 -18.591 -33.167 3.485 1.00 52.03 H new ATOM 1140 N ALA A 72 -14.561 -31.240 4.736 1.00 4.42 N ATOM 1141 CA ALA A 72 -13.191 -30.919 5.118 1.00 22.42 C ATOM 1142 C ALA A 72 -13.117 -29.564 5.813 1.00 52.23 C ATOM 1143 O ALA A 72 -12.328 -29.371 6.738 1.00 51.13 O ATOM 1144 CB ALA A 72 -12.284 -30.939 3.897 1.00 50.34 C ATOM 0 H ALA A 72 -14.710 -31.326 3.731 1.00 4.42 H new ATOM 0 HA ALA A 72 -12.850 -31.677 5.823 1.00 22.42 H new ATOM 0 HB1 ALA A 72 -11.264 -30.698 4.197 1.00 50.34 H new ATOM 0 HB2 ALA A 72 -12.304 -31.931 3.445 1.00 50.34 H new ATOM 0 HB3 ALA A 72 -12.633 -30.203 3.173 1.00 50.34 H new ATOM 1150 N VAL A 73 -13.944 -28.626 5.360 1.00 31.52 N ATOM 1151 CA VAL A 73 -13.973 -27.288 5.939 1.00 62.45 C ATOM 1152 C VAL A 73 -14.715 -27.281 7.270 1.00 32.00 C ATOM 1153 O VAL A 73 -14.347 -26.555 8.194 1.00 62.23 O ATOM 1154 CB VAL A 73 -14.640 -26.279 4.985 1.00 33.25 C ATOM 1155 CG1 VAL A 73 -14.477 -24.861 5.510 1.00 52.21 C ATOM 1156 CG2 VAL A 73 -14.063 -26.408 3.584 1.00 23.01 C ATOM 0 H VAL A 73 -14.602 -28.768 4.594 1.00 31.52 H new ATOM 0 HA VAL A 73 -12.937 -26.991 6.103 1.00 62.45 H new ATOM 0 HB VAL A 73 -15.706 -26.502 4.935 1.00 33.25 H new ATOM 0 HG11 VAL A 73 -14.954 -24.162 4.823 1.00 52.21 H new ATOM 0 HG12 VAL A 73 -14.943 -24.781 6.492 1.00 52.21 H new ATOM 0 HG13 VAL A 73 -13.416 -24.623 5.591 1.00 52.21 H new ATOM 0 HG21 VAL A 73 -14.546 -25.688 2.924 1.00 23.01 H new ATOM 0 HG22 VAL A 73 -12.991 -26.212 3.613 1.00 23.01 H new ATOM 0 HG23 VAL A 73 -14.238 -27.417 3.210 1.00 23.01 H new ATOM 1166 N ARG A 74 -15.763 -28.094 7.362 1.00 44.13 N ATOM 1167 CA ARG A 74 -16.558 -28.181 8.581 1.00 41.35 C ATOM 1168 C ARG A 74 -15.807 -28.947 9.666 1.00 14.20 C ATOM 1169 O ARG A 74 -15.858 -28.586 10.842 1.00 34.31 O ATOM 1170 CB ARG A 74 -17.897 -28.862 8.294 1.00 71.35 C ATOM 1171 CG ARG A 74 -18.890 -27.971 7.566 1.00 73.34 C ATOM 1172 CD ARG A 74 -19.521 -26.956 8.506 1.00 70.13 C ATOM 1173 NE ARG A 74 -20.829 -26.512 8.033 1.00 15.51 N ATOM 1174 CZ ARG A 74 -21.569 -25.605 8.663 1.00 72.45 C ATOM 1175 NH1 ARG A 74 -21.131 -25.050 9.784 1.00 72.10 N ATOM 1176 NH2 ARG A 74 -22.750 -25.253 8.170 1.00 43.41 N ATOM 0 H ARG A 74 -16.081 -28.702 6.607 1.00 44.13 H new ATOM 0 HA ARG A 74 -16.743 -27.168 8.938 1.00 41.35 H new ATOM 0 HB2 ARG A 74 -17.719 -29.757 7.697 1.00 71.35 H new ATOM 0 HB3 ARG A 74 -18.338 -29.189 9.236 1.00 71.35 H new ATOM 0 HG2 ARG A 74 -18.385 -27.450 6.753 1.00 73.34 H new ATOM 0 HG3 ARG A 74 -19.670 -28.585 7.116 1.00 73.34 H new ATOM 0 HD2 ARG A 74 -19.624 -27.396 9.498 1.00 70.13 H new ATOM 0 HD3 ARG A 74 -18.860 -26.095 8.606 1.00 70.13 H new ATOM 0 HE ARG A 74 -21.195 -26.920 7.173 1.00 15.51 H new ATOM 0 HH11 ARG A 74 -20.224 -25.319 10.165 1.00 72.10 H new ATOM 0 HH12 ARG A 74 -21.701 -24.354 10.265 1.00 72.10 H new ATOM 0 HH21 ARG A 74 -23.090 -25.678 7.308 1.00 43.41 H new ATOM 0 HH22 ARG A 74 -23.318 -24.557 8.654 1.00 43.41 H new ATOM 1190 N ARG A 75 -15.112 -30.005 9.263 1.00 71.21 N ATOM 1191 CA ARG A 75 -14.353 -30.823 10.201 1.00 2.01 C ATOM 1192 C ARG A 75 -13.154 -30.053 10.747 1.00 64.04 C ATOM 1193 O ARG A 75 -12.830 -30.144 11.932 1.00 74.43 O ATOM 1194 CB ARG A 75 -13.880 -32.110 9.522 1.00 11.13 C ATOM 1195 CG ARG A 75 -12.806 -31.885 8.471 1.00 43.20 C ATOM 1196 CD ARG A 75 -12.393 -33.190 7.808 1.00 51.41 C ATOM 1197 NE ARG A 75 -11.627 -34.044 8.711 1.00 35.42 N ATOM 1198 CZ ARG A 75 -12.179 -34.960 9.500 1.00 3.24 C ATOM 1199 NH1 ARG A 75 -13.492 -35.138 9.497 1.00 75.41 N ATOM 1200 NH2 ARG A 75 -11.415 -35.699 10.295 1.00 73.22 N ATOM 0 H ARG A 75 -15.059 -30.316 8.293 1.00 71.21 H new ATOM 0 HA ARG A 75 -15.008 -31.079 11.033 1.00 2.01 H new ATOM 0 HB2 ARG A 75 -13.496 -32.791 10.281 1.00 11.13 H new ATOM 0 HB3 ARG A 75 -14.735 -32.600 9.056 1.00 11.13 H new ATOM 0 HG2 ARG A 75 -13.175 -31.192 7.715 1.00 43.20 H new ATOM 0 HG3 ARG A 75 -11.936 -31.419 8.933 1.00 43.20 H new ATOM 0 HD2 ARG A 75 -13.282 -33.723 7.472 1.00 51.41 H new ATOM 0 HD3 ARG A 75 -11.797 -32.973 6.921 1.00 51.41 H new ATOM 0 HE ARG A 75 -10.614 -33.932 8.738 1.00 35.42 H new ATOM 0 HH11 ARG A 75 -14.082 -34.571 8.888 1.00 75.41 H new ATOM 0 HH12 ARG A 75 -13.913 -35.842 10.104 1.00 75.41 H new ATOM 0 HH21 ARG A 75 -10.404 -35.564 10.300 1.00 73.22 H new ATOM 0 HH22 ARG A 75 -11.839 -36.402 10.900 1.00 73.22 H new ATOM 1214 N LEU A 76 -12.497 -29.295 9.875 1.00 74.42 N ATOM 1215 CA LEU A 76 -11.333 -28.509 10.268 1.00 32.33 C ATOM 1216 C LEU A 76 -11.747 -27.308 11.112 1.00 33.01 C ATOM 1217 O LEU A 76 -11.027 -26.899 12.023 1.00 41.22 O ATOM 1218 CB LEU A 76 -10.569 -28.038 9.030 1.00 71.12 C ATOM 1219 CG LEU A 76 -10.955 -26.662 8.486 1.00 10.14 C ATOM 1220 CD1 LEU A 76 -10.247 -25.563 9.264 1.00 72.20 C ATOM 1221 CD2 LEU A 76 -10.629 -26.563 7.003 1.00 24.43 C ATOM 0 H LEU A 76 -12.751 -29.208 8.891 1.00 74.42 H new ATOM 0 HA LEU A 76 -10.682 -29.145 10.868 1.00 32.33 H new ATOM 0 HB2 LEU A 76 -9.505 -28.028 9.267 1.00 71.12 H new ATOM 0 HB3 LEU A 76 -10.712 -28.773 8.238 1.00 71.12 H new ATOM 0 HG LEU A 76 -12.030 -26.532 8.610 1.00 10.14 H new ATOM 0 HD11 LEU A 76 -10.534 -24.591 8.863 1.00 72.20 H new ATOM 0 HD12 LEU A 76 -10.531 -25.620 10.315 1.00 72.20 H new ATOM 0 HD13 LEU A 76 -9.168 -25.689 9.172 1.00 72.20 H new ATOM 0 HD21 LEU A 76 -10.911 -25.577 6.634 1.00 24.43 H new ATOM 0 HD22 LEU A 76 -9.560 -26.714 6.855 1.00 24.43 H new ATOM 0 HD23 LEU A 76 -11.183 -27.327 6.457 1.00 24.43 H new ATOM 1233 N ARG A 77 -12.913 -26.749 10.804 1.00 1.23 N ATOM 1234 CA ARG A 77 -13.423 -25.595 11.535 1.00 74.10 C ATOM 1235 C ARG A 77 -13.699 -25.953 12.993 1.00 44.14 C ATOM 1236 O ARG A 77 -13.328 -25.214 13.904 1.00 1.43 O ATOM 1237 CB ARG A 77 -14.702 -25.073 10.877 1.00 42.31 C ATOM 1238 CG ARG A 77 -15.144 -23.715 11.397 1.00 4.42 C ATOM 1239 CD ARG A 77 -15.952 -23.845 12.678 1.00 33.14 C ATOM 1240 NE ARG A 77 -16.666 -22.613 13.003 1.00 3.13 N ATOM 1241 CZ ARG A 77 -17.371 -22.444 14.116 1.00 11.30 C ATOM 1242 NH1 ARG A 77 -17.457 -23.423 15.006 1.00 43.30 N ATOM 1243 NH2 ARG A 77 -17.992 -21.293 14.341 1.00 54.14 N ATOM 0 H ARG A 77 -13.522 -27.076 10.054 1.00 1.23 H new ATOM 0 HA ARG A 77 -12.663 -24.814 11.508 1.00 74.10 H new ATOM 0 HB2 ARG A 77 -14.546 -25.007 9.800 1.00 42.31 H new ATOM 0 HB3 ARG A 77 -15.504 -25.793 11.039 1.00 42.31 H new ATOM 0 HG2 ARG A 77 -14.269 -23.092 11.579 1.00 4.42 H new ATOM 0 HG3 ARG A 77 -15.742 -23.211 10.638 1.00 4.42 H new ATOM 0 HD2 ARG A 77 -16.667 -24.661 12.574 1.00 33.14 H new ATOM 0 HD3 ARG A 77 -15.287 -24.106 13.501 1.00 33.14 H new ATOM 0 HE ARG A 77 -16.621 -21.840 12.339 1.00 3.13 H new ATOM 0 HH11 ARG A 77 -16.981 -24.309 14.837 1.00 43.30 H new ATOM 0 HH12 ARG A 77 -17.999 -23.290 15.860 1.00 43.30 H new ATOM 0 HH21 ARG A 77 -17.928 -20.537 13.659 1.00 54.14 H new ATOM 0 HH22 ARG A 77 -18.533 -21.164 15.196 1.00 54.14 H new ATOM 1257 N SER A 78 -14.351 -27.091 13.204 1.00 34.30 N ATOM 1258 CA SER A 78 -14.680 -27.545 14.550 1.00 32.22 C ATOM 1259 C SER A 78 -13.473 -28.204 15.211 1.00 13.14 C ATOM 1260 O SER A 78 -13.560 -28.701 16.335 1.00 44.34 O ATOM 1261 CB SER A 78 -15.852 -28.528 14.508 1.00 51.31 C ATOM 1262 OG SER A 78 -16.568 -28.520 15.731 1.00 72.33 O ATOM 0 H SER A 78 -14.662 -27.716 12.460 1.00 34.30 H new ATOM 0 HA SER A 78 -14.966 -26.675 15.140 1.00 32.22 H new ATOM 0 HB2 SER A 78 -16.522 -28.266 13.689 1.00 51.31 H new ATOM 0 HB3 SER A 78 -15.481 -29.533 14.307 1.00 51.31 H new ATOM 0 HG SER A 78 -15.943 -28.639 16.477 1.00 72.33 H new ATOM 1268 N LYS A 79 -12.347 -28.204 14.506 1.00 32.11 N ATOM 1269 CA LYS A 79 -11.121 -28.800 15.022 1.00 4.24 C ATOM 1270 C LYS A 79 -10.301 -27.772 15.796 1.00 23.43 C ATOM 1271 O LYS A 79 -9.512 -28.127 16.673 1.00 33.12 O ATOM 1272 CB LYS A 79 -10.286 -29.374 13.875 1.00 32.43 C ATOM 1273 CG LYS A 79 -10.292 -30.892 13.820 1.00 24.33 C ATOM 1274 CD LYS A 79 -9.671 -31.406 12.532 1.00 41.21 C ATOM 1275 CE LYS A 79 -8.160 -31.227 12.531 1.00 34.43 C ATOM 1276 NZ LYS A 79 -7.480 -32.259 11.700 1.00 54.11 N ATOM 0 H LYS A 79 -12.258 -27.797 13.575 1.00 32.11 H new ATOM 0 HA LYS A 79 -11.397 -29.606 15.702 1.00 4.24 H new ATOM 0 HB2 LYS A 79 -10.664 -28.983 12.930 1.00 32.43 H new ATOM 0 HB3 LYS A 79 -9.258 -29.026 13.976 1.00 32.43 H new ATOM 0 HG2 LYS A 79 -9.743 -31.290 14.674 1.00 24.33 H new ATOM 0 HG3 LYS A 79 -11.316 -31.256 13.902 1.00 24.33 H new ATOM 0 HD2 LYS A 79 -9.913 -32.461 12.406 1.00 41.21 H new ATOM 0 HD3 LYS A 79 -10.102 -30.876 11.682 1.00 41.21 H new ATOM 0 HE2 LYS A 79 -7.912 -30.235 12.153 1.00 34.43 H new ATOM 0 HE3 LYS A 79 -7.787 -31.281 13.554 1.00 34.43 H new ATOM 0 HZ1 LYS A 79 -6.464 -32.268 11.920 1.00 54.11 H new ATOM 0 HZ2 LYS A 79 -7.887 -33.194 11.906 1.00 54.11 H new ATOM 0 HZ3 LYS A 79 -7.614 -32.037 10.693 1.00 54.11 H new ATOM 1290 N ILE A 80 -10.493 -26.500 15.467 1.00 0.54 N ATOM 1291 CA ILE A 80 -9.773 -25.422 16.134 1.00 41.41 C ATOM 1292 C ILE A 80 -10.634 -24.167 16.237 1.00 23.23 C ATOM 1293 O ILE A 80 -10.691 -23.526 17.287 1.00 73.21 O ATOM 1294 CB ILE A 80 -8.467 -25.075 15.394 1.00 32.12 C ATOM 1295 CG1 ILE A 80 -7.803 -23.853 16.032 1.00 70.10 C ATOM 1296 CG2 ILE A 80 -8.744 -24.825 13.919 1.00 14.24 C ATOM 1297 CD1 ILE A 80 -7.508 -24.026 17.506 1.00 51.15 C ATOM 0 H ILE A 80 -11.141 -26.190 14.743 1.00 0.54 H new ATOM 0 HA ILE A 80 -9.531 -25.777 17.136 1.00 41.41 H new ATOM 0 HB ILE A 80 -7.784 -25.921 15.477 1.00 32.12 H new ATOM 0 HG12 ILE A 80 -6.872 -23.639 15.506 1.00 70.10 H new ATOM 0 HG13 ILE A 80 -8.451 -22.987 15.899 1.00 70.10 H new ATOM 0 HG21 ILE A 80 -7.812 -24.581 13.410 1.00 14.24 H new ATOM 0 HG22 ILE A 80 -9.177 -25.720 13.473 1.00 14.24 H new ATOM 0 HG23 ILE A 80 -9.442 -23.994 13.816 1.00 14.24 H new ATOM 0 HD11 ILE A 80 -7.038 -23.121 17.892 1.00 51.15 H new ATOM 0 HD12 ILE A 80 -8.438 -24.209 18.044 1.00 51.15 H new ATOM 0 HD13 ILE A 80 -6.835 -24.872 17.646 1.00 51.15 H new ATOM 1309 N ASP A 81 -11.303 -23.824 15.142 1.00 5.52 N ATOM 1310 CA ASP A 81 -12.164 -22.647 15.110 1.00 44.02 C ATOM 1311 C ASP A 81 -13.413 -22.865 15.958 1.00 51.45 C ATOM 1312 O ASP A 81 -14.161 -21.926 16.231 1.00 51.32 O ATOM 1313 CB ASP A 81 -12.560 -22.318 13.670 1.00 71.43 C ATOM 1314 CG ASP A 81 -11.379 -22.361 12.720 1.00 11.40 C ATOM 1315 OD1 ASP A 81 -10.275 -21.941 13.127 1.00 71.05 O ATOM 1316 OD2 ASP A 81 -11.559 -22.814 11.571 1.00 64.04 O ATOM 0 H ASP A 81 -11.266 -24.344 14.265 1.00 5.52 H new ATOM 0 HA ASP A 81 -11.607 -21.807 15.526 1.00 44.02 H new ATOM 0 HB2 ASP A 81 -13.318 -23.025 13.334 1.00 71.43 H new ATOM 0 HB3 ASP A 81 -13.012 -21.327 13.638 1.00 71.43 H new ATOM 1321 N ASP A 82 -13.633 -24.108 16.369 1.00 20.25 N ATOM 1322 CA ASP A 82 -14.792 -24.449 17.186 1.00 20.51 C ATOM 1323 C ASP A 82 -14.899 -23.522 18.392 1.00 10.43 C ATOM 1324 O ASP A 82 -15.996 -23.234 18.871 1.00 11.12 O ATOM 1325 CB ASP A 82 -14.704 -25.904 17.652 1.00 50.41 C ATOM 1326 CG ASP A 82 -16.068 -26.548 17.800 1.00 15.54 C ATOM 1327 OD1 ASP A 82 -17.079 -25.859 17.549 1.00 34.04 O ATOM 1328 OD2 ASP A 82 -16.125 -27.740 18.169 1.00 55.34 O ATOM 0 H ASP A 82 -13.024 -24.897 16.150 1.00 20.25 H new ATOM 0 HA ASP A 82 -15.686 -24.324 16.574 1.00 20.51 H new ATOM 0 HB2 ASP A 82 -14.111 -26.476 16.938 1.00 50.41 H new ATOM 0 HB3 ASP A 82 -14.180 -25.946 18.607 1.00 50.41 H new ATOM 1333 N ASP A 83 -13.753 -23.058 18.879 1.00 52.22 N ATOM 1334 CA ASP A 83 -13.718 -22.162 20.029 1.00 22.44 C ATOM 1335 C ASP A 83 -12.553 -21.183 19.920 1.00 31.22 C ATOM 1336 O ASP A 83 -11.907 -20.858 20.916 1.00 2.52 O ATOM 1337 CB ASP A 83 -13.604 -22.967 21.325 1.00 12.23 C ATOM 1338 CG ASP A 83 -14.129 -22.206 22.527 1.00 42.21 C ATOM 1339 OD1 ASP A 83 -15.039 -21.369 22.349 1.00 72.33 O ATOM 1340 OD2 ASP A 83 -13.630 -22.447 23.646 1.00 62.23 O ATOM 0 H ASP A 83 -12.836 -23.288 18.495 1.00 52.22 H new ATOM 0 HA ASP A 83 -14.647 -21.593 20.044 1.00 22.44 H new ATOM 0 HB2 ASP A 83 -14.157 -23.900 21.220 1.00 12.23 H new ATOM 0 HB3 ASP A 83 -12.560 -23.232 21.494 1.00 12.23 H new ATOM 1345 N PHE A 84 -12.290 -20.718 18.704 1.00 40.05 N ATOM 1346 CA PHE A 84 -11.202 -19.777 18.464 1.00 63.55 C ATOM 1347 C PHE A 84 -11.683 -18.587 17.639 1.00 34.05 C ATOM 1348 O PHE A 84 -11.779 -17.469 18.144 1.00 54.33 O ATOM 1349 CB PHE A 84 -10.045 -20.475 17.744 1.00 34.54 C ATOM 1350 CG PHE A 84 -9.050 -21.102 18.678 1.00 21.32 C ATOM 1351 CD1 PHE A 84 -9.419 -22.154 19.501 1.00 0.25 C ATOM 1352 CD2 PHE A 84 -7.745 -20.640 18.733 1.00 1.40 C ATOM 1353 CE1 PHE A 84 -8.505 -22.733 20.362 1.00 72.24 C ATOM 1354 CE2 PHE A 84 -6.827 -21.215 19.591 1.00 62.32 C ATOM 1355 CZ PHE A 84 -7.208 -22.262 20.407 1.00 64.50 C ATOM 0 H PHE A 84 -12.815 -20.977 17.869 1.00 40.05 H new ATOM 0 HA PHE A 84 -10.853 -19.411 19.430 1.00 63.55 H new ATOM 0 HB2 PHE A 84 -10.448 -21.244 17.086 1.00 34.54 H new ATOM 0 HB3 PHE A 84 -9.532 -19.751 17.111 1.00 34.54 H new ATOM 0 HD1 PHE A 84 -10.432 -22.526 19.470 1.00 0.25 H new ATOM 0 HD2 PHE A 84 -7.442 -19.821 18.098 1.00 1.40 H new ATOM 0 HE1 PHE A 84 -8.805 -23.552 20.998 1.00 72.24 H new ATOM 0 HE2 PHE A 84 -5.813 -20.846 19.623 1.00 62.32 H new ATOM 0 HZ PHE A 84 -6.492 -22.712 21.079 1.00 64.50 H new ATOM 1365 N GLU A 85 -11.984 -18.837 16.369 1.00 72.21 N ATOM 1366 CA GLU A 85 -12.454 -17.786 15.475 1.00 54.14 C ATOM 1367 C GLU A 85 -13.902 -18.031 15.060 1.00 34.33 C ATOM 1368 O GLU A 85 -14.407 -19.153 15.110 1.00 32.12 O ATOM 1369 CB GLU A 85 -11.564 -17.706 14.233 1.00 2.40 C ATOM 1370 CG GLU A 85 -11.165 -19.064 13.681 1.00 3.04 C ATOM 1371 CD GLU A 85 -10.227 -18.959 12.494 1.00 21.05 C ATOM 1372 OE1 GLU A 85 -10.526 -18.173 11.571 1.00 64.11 O ATOM 1373 OE2 GLU A 85 -9.195 -19.662 12.489 1.00 72.33 O ATOM 0 H GLU A 85 -11.911 -19.758 15.936 1.00 72.21 H new ATOM 0 HA GLU A 85 -12.403 -16.839 16.012 1.00 54.14 H new ATOM 0 HB2 GLU A 85 -12.087 -17.147 13.457 1.00 2.40 H new ATOM 0 HB3 GLU A 85 -10.663 -17.144 14.478 1.00 2.40 H new ATOM 0 HG2 GLU A 85 -10.685 -19.645 14.468 1.00 3.04 H new ATOM 0 HG3 GLU A 85 -12.061 -19.609 13.384 1.00 3.04 H new ATOM 1380 N PRO A 86 -14.588 -16.957 14.642 1.00 62.03 N ATOM 1381 CA PRO A 86 -15.987 -17.029 14.211 1.00 70.44 C ATOM 1382 C PRO A 86 -16.148 -17.770 12.887 1.00 14.14 C ATOM 1383 O PRO A 86 -15.214 -17.847 12.089 1.00 54.31 O ATOM 1384 CB PRO A 86 -16.386 -15.560 14.053 1.00 11.01 C ATOM 1385 CG PRO A 86 -15.106 -14.846 13.786 1.00 21.33 C ATOM 1386 CD PRO A 86 -14.049 -15.589 14.556 1.00 34.13 C ATOM 0 HA PRO A 86 -16.605 -17.578 14.922 1.00 70.44 H new ATOM 0 HB2 PRO A 86 -17.092 -15.428 13.233 1.00 11.01 H new ATOM 0 HB3 PRO A 86 -16.870 -15.182 14.954 1.00 11.01 H new ATOM 0 HG2 PRO A 86 -14.879 -14.838 12.720 1.00 21.33 H new ATOM 0 HG3 PRO A 86 -15.165 -13.806 14.108 1.00 21.33 H new ATOM 0 HD2 PRO A 86 -13.088 -15.567 14.042 1.00 34.13 H new ATOM 0 HD3 PRO A 86 -13.892 -15.156 15.544 1.00 34.13 H new ATOM 1394 N LYS A 87 -17.339 -18.314 12.660 1.00 13.35 N ATOM 1395 CA LYS A 87 -17.625 -19.047 11.433 1.00 23.10 C ATOM 1396 C LYS A 87 -17.391 -18.169 10.208 1.00 62.22 C ATOM 1397 O LYS A 87 -18.174 -17.262 9.923 1.00 44.30 O ATOM 1398 CB LYS A 87 -19.068 -19.555 11.442 1.00 54.41 C ATOM 1399 CG LYS A 87 -20.088 -18.483 11.786 1.00 1.32 C ATOM 1400 CD LYS A 87 -21.150 -18.357 10.707 1.00 15.54 C ATOM 1401 CE LYS A 87 -21.714 -16.945 10.643 1.00 73.43 C ATOM 1402 NZ LYS A 87 -21.156 -16.177 9.496 1.00 61.02 N ATOM 0 H LYS A 87 -18.122 -18.261 13.311 1.00 13.35 H new ATOM 0 HA LYS A 87 -16.947 -19.899 11.382 1.00 23.10 H new ATOM 0 HB2 LYS A 87 -19.305 -19.969 10.462 1.00 54.41 H new ATOM 0 HB3 LYS A 87 -19.153 -20.370 12.161 1.00 54.41 H new ATOM 0 HG2 LYS A 87 -20.562 -18.723 12.738 1.00 1.32 H new ATOM 0 HG3 LYS A 87 -19.582 -17.526 11.914 1.00 1.32 H new ATOM 0 HD2 LYS A 87 -20.722 -18.623 9.741 1.00 15.54 H new ATOM 0 HD3 LYS A 87 -21.956 -19.064 10.904 1.00 15.54 H new ATOM 0 HE2 LYS A 87 -22.800 -16.991 10.556 1.00 73.43 H new ATOM 0 HE3 LYS A 87 -21.491 -16.422 11.573 1.00 73.43 H new ATOM 0 HZ1 LYS A 87 -21.312 -15.160 9.650 1.00 61.02 H new ATOM 0 HZ2 LYS A 87 -20.136 -16.363 9.417 1.00 61.02 H new ATOM 0 HZ3 LYS A 87 -21.630 -16.471 8.618 1.00 61.02 H new ATOM 1416 N LEU A 88 -16.311 -18.445 9.485 1.00 22.43 N ATOM 1417 CA LEU A 88 -15.975 -17.681 8.289 1.00 63.52 C ATOM 1418 C LEU A 88 -16.338 -18.458 7.027 1.00 25.12 C ATOM 1419 O LEU A 88 -15.943 -18.085 5.922 1.00 51.10 O ATOM 1420 CB LEU A 88 -14.484 -17.340 8.280 1.00 3.21 C ATOM 1421 CG LEU A 88 -14.114 -15.937 8.762 1.00 42.40 C ATOM 1422 CD1 LEU A 88 -14.082 -15.885 10.282 1.00 70.24 C ATOM 1423 CD2 LEU A 88 -12.772 -15.511 8.184 1.00 52.51 C ATOM 0 H LEU A 88 -15.653 -19.192 9.706 1.00 22.43 H new ATOM 0 HA LEU A 88 -16.553 -16.757 8.304 1.00 63.52 H new ATOM 0 HB2 LEU A 88 -13.962 -18.066 8.903 1.00 3.21 H new ATOM 0 HB3 LEU A 88 -14.109 -17.464 7.264 1.00 3.21 H new ATOM 0 HG LEU A 88 -14.876 -15.241 8.411 1.00 42.40 H new ATOM 0 HD11 LEU A 88 -13.817 -14.879 10.606 1.00 70.24 H new ATOM 0 HD12 LEU A 88 -15.064 -16.146 10.676 1.00 70.24 H new ATOM 0 HD13 LEU A 88 -13.342 -16.593 10.655 1.00 70.24 H new ATOM 0 HD21 LEU A 88 -12.525 -14.510 8.538 1.00 52.51 H new ATOM 0 HD22 LEU A 88 -11.999 -16.210 8.504 1.00 52.51 H new ATOM 0 HD23 LEU A 88 -12.829 -15.507 7.096 1.00 52.51 H new ATOM 1435 N ILE A 89 -17.092 -19.538 7.200 1.00 53.11 N ATOM 1436 CA ILE A 89 -17.511 -20.365 6.075 1.00 40.43 C ATOM 1437 C ILE A 89 -18.771 -19.806 5.421 1.00 24.42 C ATOM 1438 O ILE A 89 -19.798 -19.631 6.077 1.00 21.02 O ATOM 1439 CB ILE A 89 -17.773 -21.818 6.511 1.00 35.11 C ATOM 1440 CG1 ILE A 89 -16.505 -22.431 7.108 1.00 31.30 C ATOM 1441 CG2 ILE A 89 -18.264 -22.645 5.332 1.00 43.23 C ATOM 1442 CD1 ILE A 89 -16.780 -23.525 8.117 1.00 44.52 C ATOM 0 H ILE A 89 -17.425 -19.861 8.108 1.00 53.11 H new ATOM 0 HA ILE A 89 -16.694 -20.353 5.353 1.00 40.43 H new ATOM 0 HB ILE A 89 -18.549 -21.818 7.277 1.00 35.11 H new ATOM 0 HG12 ILE A 89 -15.893 -22.836 6.302 1.00 31.30 H new ATOM 0 HG13 ILE A 89 -15.922 -21.645 7.587 1.00 31.30 H new ATOM 0 HG21 ILE A 89 -18.445 -23.670 5.657 1.00 43.23 H new ATOM 0 HG22 ILE A 89 -19.190 -22.217 4.948 1.00 43.23 H new ATOM 0 HG23 ILE A 89 -17.509 -22.641 4.546 1.00 43.23 H new ATOM 0 HD11 ILE A 89 -15.836 -23.914 8.499 1.00 44.52 H new ATOM 0 HD12 ILE A 89 -17.366 -23.120 8.942 1.00 44.52 H new ATOM 0 HD13 ILE A 89 -17.337 -24.330 7.638 1.00 44.52 H new ATOM 1454 N HIS A 90 -18.685 -19.530 4.124 1.00 60.53 N ATOM 1455 CA HIS A 90 -19.819 -18.994 3.380 1.00 72.33 C ATOM 1456 C HIS A 90 -19.888 -19.602 1.982 1.00 51.32 C ATOM 1457 O HIS A 90 -19.004 -19.383 1.153 1.00 4.33 O ATOM 1458 CB HIS A 90 -19.719 -17.472 3.282 1.00 5.34 C ATOM 1459 CG HIS A 90 -20.198 -16.760 4.510 1.00 74.13 C ATOM 1460 ND1 HIS A 90 -19.361 -16.390 5.541 1.00 32.41 N ATOM 1461 CD2 HIS A 90 -21.437 -16.349 4.867 1.00 55.40 C ATOM 1462 CE1 HIS A 90 -20.065 -15.784 6.480 1.00 2.15 C ATOM 1463 NE2 HIS A 90 -21.328 -15.745 6.096 1.00 63.14 N ATOM 0 H HIS A 90 -17.842 -19.669 3.566 1.00 60.53 H new ATOM 0 HA HIS A 90 -20.730 -19.257 3.917 1.00 72.33 H new ATOM 0 HB2 HIS A 90 -18.682 -17.196 3.093 1.00 5.34 H new ATOM 0 HB3 HIS A 90 -20.300 -17.132 2.425 1.00 5.34 H new ATOM 0 HD2 HIS A 90 -22.343 -16.473 4.292 1.00 55.40 H new ATOM 0 HE1 HIS A 90 -19.674 -15.387 7.405 1.00 2.15 H new ATOM 0 HE2 HIS A 90 -22.097 -15.334 6.625 1.00 63.14 H new ATOM 1471 N THR A 91 -20.944 -20.367 1.726 1.00 74.33 N ATOM 1472 CA THR A 91 -21.128 -21.008 0.430 1.00 42.15 C ATOM 1473 C THR A 91 -22.436 -20.572 -0.219 1.00 55.32 C ATOM 1474 O THR A 91 -23.520 -20.937 0.238 1.00 43.01 O ATOM 1475 CB THR A 91 -21.117 -22.543 0.555 1.00 30.12 C ATOM 1476 OG1 THR A 91 -19.844 -22.986 1.039 1.00 70.25 O ATOM 1477 CG2 THR A 91 -21.412 -23.198 -0.786 1.00 2.11 C ATOM 0 H THR A 91 -21.686 -20.558 2.400 1.00 74.33 H new ATOM 0 HA THR A 91 -20.293 -20.696 -0.197 1.00 42.15 H new ATOM 0 HB THR A 91 -21.895 -22.833 1.261 1.00 30.12 H new ATOM 0 HG1 THR A 91 -19.446 -23.606 0.393 1.00 70.25 H new ATOM 0 HG21 THR A 91 -21.399 -24.282 -0.672 1.00 2.11 H new ATOM 0 HG22 THR A 91 -22.394 -22.882 -1.137 1.00 2.11 H new ATOM 0 HG23 THR A 91 -20.655 -22.900 -1.511 1.00 2.11 H new ATOM 1485 N VAL A 92 -22.330 -19.789 -1.288 1.00 3.51 N ATOM 1486 CA VAL A 92 -23.505 -19.304 -2.001 1.00 54.21 C ATOM 1487 C VAL A 92 -24.242 -20.448 -2.688 1.00 32.33 C ATOM 1488 O VAL A 92 -23.622 -21.361 -3.233 1.00 24.11 O ATOM 1489 CB VAL A 92 -23.126 -18.246 -3.055 1.00 32.41 C ATOM 1490 CG1 VAL A 92 -24.374 -17.593 -3.629 1.00 71.43 C ATOM 1491 CG2 VAL A 92 -22.198 -17.203 -2.452 1.00 1.11 C ATOM 0 H VAL A 92 -21.441 -19.477 -1.679 1.00 3.51 H new ATOM 0 HA VAL A 92 -24.159 -18.848 -1.258 1.00 54.21 H new ATOM 0 HB VAL A 92 -22.598 -18.742 -3.869 1.00 32.41 H new ATOM 0 HG11 VAL A 92 -24.086 -16.849 -4.372 1.00 71.43 H new ATOM 0 HG12 VAL A 92 -24.998 -18.352 -4.099 1.00 71.43 H new ATOM 0 HG13 VAL A 92 -24.933 -17.109 -2.828 1.00 71.43 H new ATOM 0 HG21 VAL A 92 -21.940 -16.463 -3.210 1.00 1.11 H new ATOM 0 HG22 VAL A 92 -22.698 -16.709 -1.619 1.00 1.11 H new ATOM 0 HG23 VAL A 92 -21.290 -17.688 -2.094 1.00 1.11 H new ATOM 1501 N ARG A 93 -25.570 -20.393 -2.658 1.00 3.45 N ATOM 1502 CA ARG A 93 -26.392 -21.425 -3.277 1.00 20.14 C ATOM 1503 C ARG A 93 -26.401 -21.275 -4.795 1.00 70.11 C ATOM 1504 O ARG A 93 -27.397 -20.853 -5.381 1.00 62.05 O ATOM 1505 CB ARG A 93 -27.822 -21.359 -2.738 1.00 54.23 C ATOM 1506 CG ARG A 93 -28.741 -22.422 -3.318 1.00 53.53 C ATOM 1507 CD ARG A 93 -30.005 -22.579 -2.488 1.00 14.52 C ATOM 1508 NE ARG A 93 -29.713 -23.002 -1.121 1.00 72.10 N ATOM 1509 CZ ARG A 93 -29.334 -24.234 -0.798 1.00 41.45 C ATOM 1510 NH1 ARG A 93 -29.201 -25.158 -1.740 1.00 11.23 N ATOM 1511 NH2 ARG A 93 -29.086 -24.542 0.468 1.00 60.50 N ATOM 0 H ARG A 93 -26.099 -19.644 -2.211 1.00 3.45 H new ATOM 0 HA ARG A 93 -25.962 -22.395 -3.028 1.00 20.14 H new ATOM 0 HB2 ARG A 93 -27.798 -21.464 -1.653 1.00 54.23 H new ATOM 0 HB3 ARG A 93 -28.237 -20.375 -2.954 1.00 54.23 H new ATOM 0 HG2 ARG A 93 -29.007 -22.156 -4.341 1.00 53.53 H new ATOM 0 HG3 ARG A 93 -28.214 -23.375 -3.364 1.00 53.53 H new ATOM 0 HD2 ARG A 93 -30.545 -21.632 -2.467 1.00 14.52 H new ATOM 0 HD3 ARG A 93 -30.661 -23.310 -2.961 1.00 14.52 H new ATOM 0 HE ARG A 93 -29.805 -22.314 -0.373 1.00 72.10 H new ATOM 0 HH11 ARG A 93 -29.390 -24.924 -2.715 1.00 11.23 H new ATOM 0 HH12 ARG A 93 -28.910 -26.103 -1.490 1.00 11.23 H new ATOM 0 HH21 ARG A 93 -29.186 -23.833 1.194 1.00 60.50 H new ATOM 0 HH22 ARG A 93 -28.795 -25.488 0.715 1.00 60.50 H new ATOM 1525 N GLY A 94 -25.284 -21.624 -5.426 1.00 4.31 N ATOM 1526 CA GLY A 94 -25.184 -21.520 -6.870 1.00 22.00 C ATOM 1527 C GLY A 94 -23.919 -20.813 -7.314 1.00 40.25 C ATOM 1528 O GLY A 94 -23.928 -20.066 -8.293 1.00 33.51 O ATOM 0 H GLY A 94 -24.447 -21.977 -4.963 1.00 4.31 H new ATOM 0 HA2 GLY A 94 -25.210 -22.519 -7.306 1.00 22.00 H new ATOM 0 HA3 GLY A 94 -26.051 -20.982 -7.253 1.00 22.00 H new ATOM 1532 N ALA A 95 -22.828 -21.046 -6.593 1.00 24.31 N ATOM 1533 CA ALA A 95 -21.549 -20.426 -6.919 1.00 33.23 C ATOM 1534 C ALA A 95 -20.395 -21.396 -6.691 1.00 22.12 C ATOM 1535 O ALA A 95 -19.776 -21.874 -7.641 1.00 2.34 O ATOM 1536 CB ALA A 95 -21.350 -19.163 -6.095 1.00 13.25 C ATOM 0 H ALA A 95 -22.804 -21.660 -5.779 1.00 24.31 H new ATOM 0 HA ALA A 95 -21.561 -20.159 -7.976 1.00 33.23 H new ATOM 0 HB1 ALA A 95 -20.391 -18.710 -6.348 1.00 13.25 H new ATOM 0 HB2 ALA A 95 -22.153 -18.458 -6.311 1.00 13.25 H new ATOM 0 HB3 ALA A 95 -21.363 -19.415 -5.035 1.00 13.25 H new ATOM 1542 N GLY A 96 -20.110 -21.683 -5.424 1.00 44.50 N ATOM 1543 CA GLY A 96 -19.029 -22.594 -5.095 1.00 10.43 C ATOM 1544 C GLY A 96 -18.670 -22.559 -3.622 1.00 41.15 C ATOM 1545 O GLY A 96 -19.331 -23.193 -2.800 1.00 31.11 O ATOM 0 H GLY A 96 -20.608 -21.301 -4.620 1.00 44.50 H new ATOM 0 HA2 GLY A 96 -19.316 -23.608 -5.372 1.00 10.43 H new ATOM 0 HA3 GLY A 96 -18.150 -22.338 -5.686 1.00 10.43 H new ATOM 1549 N TYR A 97 -17.619 -21.818 -3.289 1.00 11.11 N ATOM 1550 CA TYR A 97 -17.170 -21.707 -1.906 1.00 54.51 C ATOM 1551 C TYR A 97 -16.345 -20.440 -1.702 1.00 11.25 C ATOM 1552 O TYR A 97 -15.533 -20.070 -2.550 1.00 21.15 O ATOM 1553 CB TYR A 97 -16.346 -22.934 -1.515 1.00 33.32 C ATOM 1554 CG TYR A 97 -16.660 -23.459 -0.132 1.00 11.42 C ATOM 1555 CD1 TYR A 97 -16.268 -22.760 1.003 1.00 24.12 C ATOM 1556 CD2 TYR A 97 -17.350 -24.652 0.040 1.00 73.33 C ATOM 1557 CE1 TYR A 97 -16.552 -23.236 2.269 1.00 44.14 C ATOM 1558 CE2 TYR A 97 -17.640 -25.135 1.301 1.00 30.13 C ATOM 1559 CZ TYR A 97 -17.238 -24.424 2.413 1.00 52.45 C ATOM 1560 OH TYR A 97 -17.524 -24.900 3.671 1.00 33.23 O ATOM 0 H TYR A 97 -17.062 -21.285 -3.957 1.00 11.11 H new ATOM 0 HA TYR A 97 -18.052 -21.652 -1.268 1.00 54.51 H new ATOM 0 HB2 TYR A 97 -16.521 -23.726 -2.243 1.00 33.32 H new ATOM 0 HB3 TYR A 97 -15.287 -22.682 -1.567 1.00 33.32 H new ATOM 0 HD1 TYR A 97 -15.732 -21.829 0.894 1.00 24.12 H new ATOM 0 HD2 TYR A 97 -17.665 -25.212 -0.828 1.00 73.33 H new ATOM 0 HE1 TYR A 97 -16.239 -22.681 3.141 1.00 44.14 H new ATOM 0 HE2 TYR A 97 -18.178 -26.064 1.416 1.00 30.13 H new ATOM 0 HH TYR A 97 -18.012 -25.746 3.597 1.00 33.23 H new ATOM 1570 N VAL A 98 -16.559 -19.778 -0.568 1.00 72.45 N ATOM 1571 CA VAL A 98 -15.835 -18.554 -0.249 1.00 50.15 C ATOM 1572 C VAL A 98 -15.802 -18.311 1.255 1.00 22.22 C ATOM 1573 O VAL A 98 -16.649 -18.813 1.995 1.00 15.40 O ATOM 1574 CB VAL A 98 -16.467 -17.332 -0.942 1.00 1.43 C ATOM 1575 CG1 VAL A 98 -17.818 -17.007 -0.323 1.00 52.15 C ATOM 1576 CG2 VAL A 98 -15.533 -16.133 -0.862 1.00 72.25 C ATOM 0 H VAL A 98 -17.228 -20.070 0.144 1.00 72.45 H new ATOM 0 HA VAL A 98 -14.817 -18.684 -0.615 1.00 50.15 H new ATOM 0 HB VAL A 98 -16.624 -17.573 -1.993 1.00 1.43 H new ATOM 0 HG11 VAL A 98 -18.249 -16.141 -0.825 1.00 52.15 H new ATOM 0 HG12 VAL A 98 -18.485 -17.862 -0.436 1.00 52.15 H new ATOM 0 HG13 VAL A 98 -17.689 -16.785 0.736 1.00 52.15 H new ATOM 0 HG21 VAL A 98 -15.995 -15.278 -1.356 1.00 72.25 H new ATOM 0 HG22 VAL A 98 -15.343 -15.889 0.183 1.00 72.25 H new ATOM 0 HG23 VAL A 98 -14.591 -16.372 -1.355 1.00 72.25 H new ATOM 1586 N LEU A 99 -14.818 -17.539 1.703 1.00 51.34 N ATOM 1587 CA LEU A 99 -14.674 -17.228 3.121 1.00 42.14 C ATOM 1588 C LEU A 99 -14.935 -15.748 3.383 1.00 32.21 C ATOM 1589 O LEU A 99 -14.617 -14.896 2.555 1.00 43.12 O ATOM 1590 CB LEU A 99 -13.273 -17.604 3.605 1.00 5.23 C ATOM 1591 CG LEU A 99 -12.144 -17.445 2.585 1.00 14.24 C ATOM 1592 CD1 LEU A 99 -11.959 -15.981 2.218 1.00 54.30 C ATOM 1593 CD2 LEU A 99 -10.848 -18.028 3.129 1.00 72.24 C ATOM 0 H LEU A 99 -14.108 -17.117 1.105 1.00 51.34 H new ATOM 0 HA LEU A 99 -15.411 -17.811 3.673 1.00 42.14 H new ATOM 0 HB2 LEU A 99 -13.036 -16.994 4.477 1.00 5.23 H new ATOM 0 HB3 LEU A 99 -13.292 -18.642 3.937 1.00 5.23 H new ATOM 0 HG LEU A 99 -12.415 -17.993 1.683 1.00 14.24 H new ATOM 0 HD11 LEU A 99 -11.152 -15.887 1.492 1.00 54.30 H new ATOM 0 HD12 LEU A 99 -12.882 -15.595 1.786 1.00 54.30 H new ATOM 0 HD13 LEU A 99 -11.710 -15.410 3.113 1.00 54.30 H new ATOM 0 HD21 LEU A 99 -10.056 -17.906 2.390 1.00 72.24 H new ATOM 0 HD22 LEU A 99 -10.572 -17.508 4.046 1.00 72.24 H new ATOM 0 HD23 LEU A 99 -10.987 -19.088 3.341 1.00 72.24 H new ATOM 1605 N GLU A 100 -15.515 -15.451 4.542 1.00 70.40 N ATOM 1606 CA GLU A 100 -15.817 -14.074 4.913 1.00 34.14 C ATOM 1607 C GLU A 100 -16.123 -13.967 6.405 1.00 72.34 C ATOM 1608 O GLU A 100 -16.688 -14.885 7.000 1.00 24.43 O ATOM 1609 CB GLU A 100 -17.003 -13.552 4.100 1.00 52.52 C ATOM 1610 CG GLU A 100 -16.607 -12.574 3.006 1.00 73.33 C ATOM 1611 CD GLU A 100 -15.782 -11.415 3.530 1.00 53.13 C ATOM 1612 OE1 GLU A 100 -16.258 -10.714 4.447 1.00 30.32 O ATOM 1613 OE2 GLU A 100 -14.660 -11.209 3.022 1.00 51.24 O ATOM 0 H GLU A 100 -15.785 -16.145 5.239 1.00 70.40 H new ATOM 0 HA GLU A 100 -14.940 -13.465 4.695 1.00 34.14 H new ATOM 0 HB2 GLU A 100 -17.524 -14.397 3.649 1.00 52.52 H new ATOM 0 HB3 GLU A 100 -17.708 -13.065 4.773 1.00 52.52 H new ATOM 0 HG2 GLU A 100 -16.039 -13.102 2.240 1.00 73.33 H new ATOM 0 HG3 GLU A 100 -17.506 -12.187 2.527 1.00 73.33 H new ATOM 1620 N ILE A 101 -15.746 -12.841 7.001 1.00 71.33 N ATOM 1621 CA ILE A 101 -15.980 -12.614 8.421 1.00 32.24 C ATOM 1622 C ILE A 101 -17.369 -12.032 8.664 1.00 45.25 C ATOM 1623 O ILE A 101 -17.927 -11.354 7.801 1.00 14.32 O ATOM 1624 CB ILE A 101 -14.926 -11.665 9.021 1.00 41.01 C ATOM 1625 CG1 ILE A 101 -15.019 -10.285 8.366 1.00 33.14 C ATOM 1626 CG2 ILE A 101 -13.531 -12.246 8.848 1.00 64.02 C ATOM 1627 CD1 ILE A 101 -14.125 -9.249 9.010 1.00 24.22 C ATOM 0 H ILE A 101 -15.277 -12.072 6.522 1.00 71.33 H new ATOM 0 HA ILE A 101 -15.905 -13.584 8.912 1.00 32.24 H new ATOM 0 HB ILE A 101 -15.123 -11.555 10.087 1.00 41.01 H new ATOM 0 HG12 ILE A 101 -14.757 -10.374 7.312 1.00 33.14 H new ATOM 0 HG13 ILE A 101 -16.052 -9.940 8.410 1.00 33.14 H new ATOM 0 HG21 ILE A 101 -12.797 -11.564 9.277 1.00 64.02 H new ATOM 0 HG22 ILE A 101 -13.472 -13.209 9.356 1.00 64.02 H new ATOM 0 HG23 ILE A 101 -13.323 -12.382 7.787 1.00 64.02 H new ATOM 0 HD11 ILE A 101 -14.243 -8.296 8.495 1.00 24.22 H new ATOM 0 HD12 ILE A 101 -14.401 -9.131 10.058 1.00 24.22 H new ATOM 0 HD13 ILE A 101 -13.086 -9.572 8.942 1.00 24.22 H new ATOM 1639 N ARG A 102 -17.919 -12.300 9.843 1.00 10.31 N ATOM 1640 CA ARG A 102 -19.242 -11.802 10.199 1.00 11.34 C ATOM 1641 C ARG A 102 -19.149 -10.418 10.835 1.00 51.51 C ATOM 1642 O ARG A 102 -20.097 -9.634 10.780 1.00 64.42 O ATOM 1643 CB ARG A 102 -19.933 -12.771 11.161 1.00 52.52 C ATOM 1644 CG ARG A 102 -19.243 -12.885 12.510 1.00 15.04 C ATOM 1645 CD ARG A 102 -19.792 -11.872 13.504 1.00 65.33 C ATOM 1646 NE ARG A 102 -19.728 -12.364 14.878 1.00 52.35 N ATOM 1647 CZ ARG A 102 -20.518 -13.320 15.353 1.00 22.30 C ATOM 1648 NH1 ARG A 102 -21.426 -13.885 14.569 1.00 22.54 N ATOM 1649 NH2 ARG A 102 -20.400 -13.714 16.615 1.00 43.42 N ATOM 0 H ARG A 102 -17.469 -12.859 10.568 1.00 10.31 H new ATOM 0 HA ARG A 102 -19.831 -11.725 9.285 1.00 11.34 H new ATOM 0 HB2 ARG A 102 -20.962 -12.445 11.315 1.00 52.52 H new ATOM 0 HB3 ARG A 102 -19.977 -13.758 10.700 1.00 52.52 H new ATOM 0 HG2 ARG A 102 -19.376 -13.892 12.904 1.00 15.04 H new ATOM 0 HG3 ARG A 102 -18.171 -12.731 12.386 1.00 15.04 H new ATOM 0 HD2 ARG A 102 -19.227 -10.943 13.425 1.00 65.33 H new ATOM 0 HD3 ARG A 102 -20.826 -11.639 13.250 1.00 65.33 H new ATOM 0 HE ARG A 102 -19.039 -11.951 15.507 1.00 52.35 H new ATOM 0 HH11 ARG A 102 -21.519 -13.586 13.598 1.00 22.54 H new ATOM 0 HH12 ARG A 102 -22.031 -14.619 14.937 1.00 22.54 H new ATOM 0 HH21 ARG A 102 -19.702 -13.282 17.221 1.00 43.42 H new ATOM 0 HH22 ARG A 102 -21.007 -14.448 16.979 1.00 43.42 H new ATOM 1663 N GLU A 103 -18.001 -10.125 11.438 1.00 50.42 N ATOM 1664 CA GLU A 103 -17.786 -8.836 12.085 1.00 42.44 C ATOM 1665 C GLU A 103 -17.859 -7.699 11.069 1.00 12.45 C ATOM 1666 O GLU A 103 -18.203 -6.568 11.413 1.00 60.10 O ATOM 1667 CB GLU A 103 -16.429 -8.815 12.792 1.00 34.34 C ATOM 1668 CG GLU A 103 -16.050 -7.450 13.341 1.00 24.31 C ATOM 1669 CD GLU A 103 -17.090 -6.895 14.294 1.00 1.52 C ATOM 1670 OE1 GLU A 103 -17.492 -7.623 15.225 1.00 4.13 O ATOM 1671 OE2 GLU A 103 -17.502 -5.730 14.108 1.00 20.23 O ATOM 0 H GLU A 103 -17.206 -10.762 11.492 1.00 50.42 H new ATOM 0 HA GLU A 103 -18.575 -8.693 12.823 1.00 42.44 H new ATOM 0 HB2 GLU A 103 -16.444 -9.535 13.610 1.00 34.34 H new ATOM 0 HB3 GLU A 103 -15.659 -9.143 12.093 1.00 34.34 H new ATOM 0 HG2 GLU A 103 -15.092 -7.523 13.857 1.00 24.31 H new ATOM 0 HG3 GLU A 103 -15.914 -6.755 12.513 1.00 24.31 H new ATOM 1678 N GLU A 104 -17.533 -8.008 9.818 1.00 3.15 N ATOM 1679 CA GLU A 104 -17.560 -7.012 8.754 1.00 52.31 C ATOM 1680 C GLU A 104 -18.925 -6.333 8.679 1.00 71.31 C ATOM 1681 O GLU A 104 -19.029 -5.113 8.792 1.00 11.54 O ATOM 1682 CB GLU A 104 -17.226 -7.661 7.409 1.00 14.31 C ATOM 1683 CG GLU A 104 -17.362 -6.716 6.227 1.00 45.30 C ATOM 1684 CD GLU A 104 -16.644 -7.222 4.991 1.00 53.25 C ATOM 1685 OE1 GLU A 104 -15.873 -8.196 5.109 1.00 64.23 O ATOM 1686 OE2 GLU A 104 -16.855 -6.643 3.904 1.00 15.33 O ATOM 0 H GLU A 104 -17.247 -8.940 9.517 1.00 3.15 H new ATOM 0 HA GLU A 104 -16.809 -6.255 8.980 1.00 52.31 H new ATOM 0 HB2 GLU A 104 -16.206 -8.043 7.443 1.00 14.31 H new ATOM 0 HB3 GLU A 104 -17.882 -8.518 7.256 1.00 14.31 H new ATOM 0 HG2 GLU A 104 -18.418 -6.577 5.998 1.00 45.30 H new ATOM 0 HG3 GLU A 104 -16.963 -5.739 6.500 1.00 45.30 H new