USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 811 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 89 THR OG1 : rot 126:sc= 1.19 USER MOD Set 1.2: A 91 ASN : amide:sc= 1.03 K(o=2.2,f=-0.64) USER MOD Set 2.1: A 11 CYS SG : rot 180:sc= -0.132 USER MOD Set 2.2: A 87 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 46 SER OG : rot 21:sc= 0.537! USER MOD Set 3.2: A 75 LYS NZ :NH3+ -173:sc= 0.00197 (180deg=0) USER MOD Set 4.1: A 4 SER OG : rot 120:sc= 0.295 USER MOD Set 4.2: A 36 THR OG1 : rot 171:sc= 0.28 USER MOD Single : A 5 MET CE :methyl -160:sc= -0.105 (180deg=-0.398) USER MOD Single : A 6 ASN : amide:sc= -0.223 X(o=-0.22,f=-0.0037) USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0.021) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.136 K(o=-0.14,f=-2.3!) USER MOD Single : A 61 SER OG : rot 170:sc= -0.717 USER MOD Single : A 64 ASN : amide:sc= -1.34 K(o=-1.3,f=-6.3!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 79:sc= -2.59! USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= -0.193 K(o=-0.19,f=-1.1) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.0494 USER MOD Single : A 90 MET CE :methyl -119:sc= -0.694 (180deg=-2.57!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 ASN : amide:sc= -1.94 K(o=-1.9,f=-5.7!) USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 ASN : amide:sc= -0.0389 K(o=-0.039,f=-1.7!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 29 N SER A 4 8.785 -12.111 -4.118 1.00 70.53 N ATOM 30 CA SER A 4 8.363 -11.245 -3.023 1.00 73.24 C ATOM 31 C SER A 4 7.154 -10.407 -3.429 1.00 64.15 C ATOM 32 O SER A 4 6.974 -10.088 -4.604 1.00 40.31 O ATOM 33 CB SER A 4 9.512 -10.331 -2.597 1.00 23.45 C ATOM 34 OG SER A 4 9.748 -9.322 -3.562 1.00 1.11 O ATOM 0 HA SER A 4 8.079 -11.876 -2.181 1.00 73.24 H new ATOM 0 HB2 SER A 4 9.278 -9.872 -1.637 1.00 23.45 H new ATOM 0 HB3 SER A 4 10.417 -10.922 -2.456 1.00 23.45 H new ATOM 0 HG SER A 4 9.628 -8.441 -3.150 1.00 1.11 H new ATOM 40 N MET A 5 6.331 -10.053 -2.448 1.00 30.53 N ATOM 41 CA MET A 5 5.140 -9.251 -2.702 1.00 21.20 C ATOM 42 C MET A 5 5.465 -7.761 -2.641 1.00 63.42 C ATOM 43 O MET A 5 5.716 -7.215 -1.567 1.00 62.35 O ATOM 44 CB MET A 5 4.046 -9.588 -1.687 1.00 71.02 C ATOM 45 CG MET A 5 2.660 -9.131 -2.114 1.00 62.41 C ATOM 46 SD MET A 5 2.022 -7.794 -1.088 1.00 10.43 S ATOM 47 CE MET A 5 1.872 -8.622 0.493 1.00 41.52 C ATOM 0 H MET A 5 6.467 -10.309 -1.470 1.00 30.53 H new ATOM 0 HA MET A 5 4.781 -9.486 -3.704 1.00 21.20 H new ATOM 0 HB2 MET A 5 4.031 -10.666 -1.526 1.00 71.02 H new ATOM 0 HB3 MET A 5 4.294 -9.126 -0.731 1.00 71.02 H new ATOM 0 HG2 MET A 5 2.694 -8.802 -3.153 1.00 62.41 H new ATOM 0 HG3 MET A 5 1.974 -9.977 -2.070 1.00 62.41 H new ATOM 0 HE1 MET A 5 1.180 -8.069 1.129 1.00 41.52 H new ATOM 0 HE2 MET A 5 1.495 -9.633 0.340 1.00 41.52 H new ATOM 0 HE3 MET A 5 2.849 -8.668 0.974 1.00 41.52 H new ATOM 57 N ASN A 6 5.461 -7.111 -3.800 1.00 53.22 N ATOM 58 CA ASN A 6 5.756 -5.685 -3.878 1.00 30.42 C ATOM 59 C ASN A 6 4.521 -4.855 -3.542 1.00 44.44 C ATOM 60 O ASN A 6 3.446 -5.069 -4.103 1.00 62.13 O ATOM 61 CB ASN A 6 6.264 -5.324 -5.274 1.00 51.34 C ATOM 62 CG ASN A 6 7.634 -4.673 -5.242 1.00 23.12 C ATOM 63 OD1 ASN A 6 8.545 -5.080 -5.964 1.00 14.24 O ATOM 64 ND2 ASN A 6 7.785 -3.658 -4.400 1.00 5.12 N ATOM 0 H ASN A 6 5.257 -7.549 -4.698 1.00 53.22 H new ATOM 0 HA ASN A 6 6.533 -5.459 -3.147 1.00 30.42 H new ATOM 0 HB2 ASN A 6 6.307 -6.225 -5.886 1.00 51.34 H new ATOM 0 HB3 ASN A 6 5.555 -4.648 -5.752 1.00 51.34 H new ATOM 0 HD21 ASN A 6 8.684 -3.181 -4.332 1.00 5.12 H new ATOM 0 HD22 ASN A 6 7.002 -3.355 -3.821 1.00 5.12 H new ATOM 71 N ILE A 7 4.683 -3.906 -2.627 1.00 11.14 N ATOM 72 CA ILE A 7 3.582 -3.043 -2.219 1.00 61.22 C ATOM 73 C ILE A 7 3.715 -1.655 -2.835 1.00 72.04 C ATOM 74 O ILE A 7 4.817 -1.118 -2.952 1.00 42.24 O ATOM 75 CB ILE A 7 3.511 -2.907 -0.686 1.00 55.13 C ATOM 76 CG1 ILE A 7 3.343 -4.282 -0.037 1.00 74.13 C ATOM 77 CG2 ILE A 7 2.368 -1.984 -0.289 1.00 22.13 C ATOM 78 CD1 ILE A 7 3.434 -4.253 1.472 1.00 71.30 C ATOM 0 H ILE A 7 5.566 -3.715 -2.154 1.00 11.14 H new ATOM 0 HA ILE A 7 2.665 -3.511 -2.577 1.00 61.22 H new ATOM 0 HB ILE A 7 4.445 -2.471 -0.331 1.00 55.13 H new ATOM 0 HG12 ILE A 7 2.377 -4.696 -0.327 1.00 74.13 H new ATOM 0 HG13 ILE A 7 4.108 -4.954 -0.426 1.00 74.13 H new ATOM 0 HG21 ILE A 7 2.330 -1.898 0.797 1.00 22.13 H new ATOM 0 HG22 ILE A 7 2.528 -0.998 -0.726 1.00 22.13 H new ATOM 0 HG23 ILE A 7 1.426 -2.394 -0.653 1.00 22.13 H new ATOM 0 HD11 ILE A 7 3.306 -5.262 1.864 1.00 71.30 H new ATOM 0 HD12 ILE A 7 4.410 -3.869 1.770 1.00 71.30 H new ATOM 0 HD13 ILE A 7 2.652 -3.607 1.871 1.00 71.30 H new ATOM 90 N LEU A 8 2.584 -1.077 -3.228 1.00 32.01 N ATOM 91 CA LEU A 8 2.573 0.251 -3.831 1.00 13.10 C ATOM 92 C LEU A 8 1.903 1.263 -2.908 1.00 3.34 C ATOM 93 O LEU A 8 0.783 1.048 -2.441 1.00 44.10 O ATOM 94 CB LEU A 8 1.848 0.215 -5.177 1.00 74.52 C ATOM 95 CG LEU A 8 2.176 1.349 -6.148 1.00 45.13 C ATOM 96 CD1 LEU A 8 1.651 2.675 -5.618 1.00 70.53 C ATOM 97 CD2 LEU A 8 3.678 1.427 -6.389 1.00 14.42 C ATOM 0 H LEU A 8 1.664 -1.508 -3.140 1.00 32.01 H new ATOM 0 HA LEU A 8 3.606 0.559 -3.989 1.00 13.10 H new ATOM 0 HB2 LEU A 8 2.078 -0.732 -5.665 1.00 74.52 H new ATOM 0 HB3 LEU A 8 0.774 0.224 -4.989 1.00 74.52 H new ATOM 0 HG LEU A 8 1.685 1.141 -7.099 1.00 45.13 H new ATOM 0 HD11 LEU A 8 1.894 3.470 -6.323 1.00 70.53 H new ATOM 0 HD12 LEU A 8 0.569 2.616 -5.497 1.00 70.53 H new ATOM 0 HD13 LEU A 8 2.113 2.890 -4.655 1.00 70.53 H new ATOM 0 HD21 LEU A 8 3.893 2.240 -7.083 1.00 14.42 H new ATOM 0 HD22 LEU A 8 4.189 1.611 -5.444 1.00 14.42 H new ATOM 0 HD23 LEU A 8 4.028 0.486 -6.813 1.00 14.42 H new ATOM 109 N LEU A 9 2.594 2.368 -2.649 1.00 42.23 N ATOM 110 CA LEU A 9 2.066 3.417 -1.782 1.00 75.45 C ATOM 111 C LEU A 9 1.953 4.739 -2.534 1.00 40.04 C ATOM 112 O LEU A 9 2.913 5.195 -3.155 1.00 74.15 O ATOM 113 CB LEU A 9 2.961 3.589 -0.554 1.00 12.24 C ATOM 114 CG LEU A 9 2.326 4.295 0.645 1.00 74.21 C ATOM 115 CD1 LEU A 9 1.766 3.279 1.627 1.00 34.43 C ATOM 116 CD2 LEU A 9 3.340 5.199 1.330 1.00 71.23 C ATOM 0 H LEU A 9 3.521 2.561 -3.027 1.00 42.23 H new ATOM 0 HA LEU A 9 1.069 3.119 -1.458 1.00 75.45 H new ATOM 0 HB2 LEU A 9 3.298 2.603 -0.233 1.00 12.24 H new ATOM 0 HB3 LEU A 9 3.848 4.148 -0.851 1.00 12.24 H new ATOM 0 HG LEU A 9 1.504 4.913 0.285 1.00 74.21 H new ATOM 0 HD11 LEU A 9 1.318 3.800 2.474 1.00 34.43 H new ATOM 0 HD12 LEU A 9 1.007 2.673 1.131 1.00 34.43 H new ATOM 0 HD13 LEU A 9 2.570 2.634 1.982 1.00 34.43 H new ATOM 0 HD21 LEU A 9 2.871 5.693 2.181 1.00 71.23 H new ATOM 0 HD22 LEU A 9 4.184 4.602 1.677 1.00 71.23 H new ATOM 0 HD23 LEU A 9 3.693 5.950 0.624 1.00 71.23 H new ATOM 128 N VAL A 10 0.775 5.352 -2.470 1.00 62.24 N ATOM 129 CA VAL A 10 0.538 6.624 -3.142 1.00 31.51 C ATOM 130 C VAL A 10 0.609 7.786 -2.158 1.00 15.05 C ATOM 131 O VAL A 10 -0.351 8.060 -1.435 1.00 21.43 O ATOM 132 CB VAL A 10 -0.834 6.641 -3.843 1.00 10.21 C ATOM 133 CG1 VAL A 10 -0.975 7.883 -4.708 1.00 14.42 C ATOM 134 CG2 VAL A 10 -1.024 5.380 -4.672 1.00 73.42 C ATOM 0 H VAL A 10 -0.030 4.988 -1.960 1.00 62.24 H new ATOM 0 HA VAL A 10 1.321 6.738 -3.891 1.00 31.51 H new ATOM 0 HB VAL A 10 -1.612 6.668 -3.080 1.00 10.21 H new ATOM 0 HG11 VAL A 10 -1.950 7.878 -5.195 1.00 14.42 H new ATOM 0 HG12 VAL A 10 -0.885 8.773 -4.085 1.00 14.42 H new ATOM 0 HG13 VAL A 10 -0.191 7.890 -5.465 1.00 14.42 H new ATOM 0 HG21 VAL A 10 -1.998 5.409 -5.160 1.00 73.42 H new ATOM 0 HG22 VAL A 10 -0.241 5.320 -5.428 1.00 73.42 H new ATOM 0 HG23 VAL A 10 -0.969 4.506 -4.023 1.00 73.42 H new ATOM 144 N CYS A 11 1.749 8.466 -2.135 1.00 53.11 N ATOM 145 CA CYS A 11 1.944 9.601 -1.240 1.00 25.54 C ATOM 146 C CYS A 11 3.033 10.529 -1.768 1.00 24.41 C ATOM 147 O CYS A 11 4.062 10.075 -2.268 1.00 60.21 O ATOM 148 CB CYS A 11 2.311 9.112 0.163 1.00 71.04 C ATOM 149 SG CYS A 11 2.233 10.394 1.436 1.00 55.24 S ATOM 0 H CYS A 11 2.553 8.252 -2.726 1.00 53.11 H new ATOM 0 HA CYS A 11 1.009 10.159 -1.191 1.00 25.54 H new ATOM 0 HB2 CYS A 11 1.640 8.299 0.440 1.00 71.04 H new ATOM 0 HB3 CYS A 11 3.319 8.699 0.140 1.00 71.04 H new ATOM 0 HG CYS A 11 2.558 9.883 2.587 1.00 55.24 H new ATOM 232 N MET A 19 9.096 7.177 7.912 1.00 31.13 N ATOM 233 CA MET A 19 8.630 6.526 9.130 1.00 33.32 C ATOM 234 C MET A 19 7.904 5.224 8.808 1.00 61.34 C ATOM 235 O MET A 19 8.231 4.167 9.350 1.00 22.20 O ATOM 236 CB MET A 19 7.702 7.460 9.910 1.00 24.34 C ATOM 237 CG MET A 19 8.281 8.850 10.124 1.00 33.21 C ATOM 238 SD MET A 19 7.361 9.803 11.347 1.00 20.13 S ATOM 239 CE MET A 19 8.699 10.595 12.236 1.00 43.44 C ATOM 0 HA MET A 19 9.501 6.294 9.743 1.00 33.32 H new ATOM 0 HB2 MET A 19 6.755 7.547 9.377 1.00 24.34 H new ATOM 0 HB3 MET A 19 7.481 7.014 10.880 1.00 24.34 H new ATOM 0 HG2 MET A 19 9.319 8.762 10.444 1.00 33.21 H new ATOM 0 HG3 MET A 19 8.284 9.388 9.176 1.00 33.21 H new ATOM 0 HE1 MET A 19 8.289 11.221 13.028 1.00 43.44 H new ATOM 0 HE2 MET A 19 9.346 9.834 12.673 1.00 43.44 H new ATOM 0 HE3 MET A 19 9.278 11.212 11.548 1.00 43.44 H new ATOM 249 N LEU A 20 6.918 5.305 7.921 1.00 54.34 N ATOM 250 CA LEU A 20 6.145 4.133 7.526 1.00 13.11 C ATOM 251 C LEU A 20 7.063 3.011 7.051 1.00 42.23 C ATOM 252 O LEU A 20 7.116 1.940 7.656 1.00 65.54 O ATOM 253 CB LEU A 20 5.154 4.500 6.419 1.00 22.22 C ATOM 254 CG LEU A 20 3.807 5.056 6.882 1.00 10.12 C ATOM 255 CD1 LEU A 20 3.020 3.993 7.633 1.00 25.35 C ATOM 256 CD2 LEU A 20 4.010 6.288 7.753 1.00 33.01 C ATOM 0 H LEU A 20 6.635 6.171 7.462 1.00 54.34 H new ATOM 0 HA LEU A 20 5.593 3.782 8.397 1.00 13.11 H new ATOM 0 HB2 LEU A 20 5.624 5.237 5.768 1.00 22.22 H new ATOM 0 HB3 LEU A 20 4.970 3.612 5.815 1.00 22.22 H new ATOM 0 HG LEU A 20 3.234 5.348 6.002 1.00 10.12 H new ATOM 0 HD11 LEU A 20 2.064 4.407 7.955 1.00 25.35 H new ATOM 0 HD12 LEU A 20 2.844 3.140 6.978 1.00 25.35 H new ATOM 0 HD13 LEU A 20 3.587 3.669 8.506 1.00 25.35 H new ATOM 0 HD21 LEU A 20 3.041 6.671 8.074 1.00 33.01 H new ATOM 0 HD22 LEU A 20 4.602 6.021 8.628 1.00 33.01 H new ATOM 0 HD23 LEU A 20 4.532 7.056 7.182 1.00 33.01 H new ATOM 268 N VAL A 21 7.786 3.265 5.965 1.00 60.02 N ATOM 269 CA VAL A 21 8.704 2.277 5.410 1.00 41.34 C ATOM 270 C VAL A 21 9.649 1.744 6.480 1.00 24.43 C ATOM 271 O VAL A 21 9.987 0.561 6.489 1.00 30.52 O ATOM 272 CB VAL A 21 9.535 2.870 4.256 1.00 71.34 C ATOM 273 CG1 VAL A 21 10.280 4.114 4.717 1.00 35.11 C ATOM 274 CG2 VAL A 21 10.502 1.831 3.708 1.00 5.43 C ATOM 0 H VAL A 21 7.754 4.146 5.452 1.00 60.02 H new ATOM 0 HA VAL A 21 8.095 1.458 5.027 1.00 41.34 H new ATOM 0 HB VAL A 21 8.856 3.160 3.454 1.00 71.34 H new ATOM 0 HG11 VAL A 21 10.861 4.518 3.888 1.00 35.11 H new ATOM 0 HG12 VAL A 21 9.564 4.862 5.057 1.00 35.11 H new ATOM 0 HG13 VAL A 21 10.950 3.854 5.537 1.00 35.11 H new ATOM 0 HG21 VAL A 21 11.081 2.267 2.894 1.00 5.43 H new ATOM 0 HG22 VAL A 21 11.177 1.508 4.501 1.00 5.43 H new ATOM 0 HG23 VAL A 21 9.942 0.973 3.336 1.00 5.43 H new ATOM 284 N GLN A 22 10.073 2.625 7.380 1.00 12.05 N ATOM 285 CA GLN A 22 10.980 2.242 8.456 1.00 71.04 C ATOM 286 C GLN A 22 10.371 1.140 9.315 1.00 71.40 C ATOM 287 O GLN A 22 10.924 0.045 9.422 1.00 11.21 O ATOM 288 CB GLN A 22 11.316 3.455 9.324 1.00 11.12 C ATOM 289 CG GLN A 22 12.638 4.115 8.964 1.00 53.34 C ATOM 290 CD GLN A 22 13.805 3.551 9.748 1.00 21.20 C ATOM 291 OE1 GLN A 22 14.564 2.722 9.244 1.00 3.30 O ATOM 292 NE2 GLN A 22 13.956 3.998 10.989 1.00 12.14 N ATOM 0 H GLN A 22 9.803 3.609 7.386 1.00 12.05 H new ATOM 0 HA GLN A 22 11.897 1.861 8.006 1.00 71.04 H new ATOM 0 HB2 GLN A 22 10.516 4.190 9.232 1.00 11.12 H new ATOM 0 HB3 GLN A 22 11.347 3.146 10.369 1.00 11.12 H new ATOM 0 HG2 GLN A 22 12.825 3.986 7.898 1.00 53.34 H new ATOM 0 HG3 GLN A 22 12.566 5.187 9.148 1.00 53.34 H new ATOM 0 HE21 GLN A 22 13.304 4.685 11.366 1.00 12.14 H new ATOM 0 HE22 GLN A 22 14.724 3.654 11.565 1.00 12.14 H new ATOM 301 N ARG A 23 9.228 1.435 9.927 1.00 41.40 N ATOM 302 CA ARG A 23 8.544 0.470 10.779 1.00 63.24 C ATOM 303 C ARG A 23 8.269 -0.824 10.019 1.00 61.30 C ATOM 304 O ARG A 23 8.671 -1.906 10.451 1.00 63.12 O ATOM 305 CB ARG A 23 7.232 1.057 11.300 1.00 11.10 C ATOM 306 CG ARG A 23 7.417 2.311 12.140 1.00 35.00 C ATOM 307 CD ARG A 23 7.480 1.982 13.624 1.00 45.15 C ATOM 308 NE ARG A 23 6.265 1.320 14.090 1.00 5.22 N ATOM 309 CZ ARG A 23 6.052 0.984 15.358 1.00 1.41 C ATOM 310 NH1 ARG A 23 6.968 1.247 16.280 1.00 55.34 N ATOM 311 NH2 ARG A 23 4.921 0.384 15.706 1.00 72.14 N ATOM 0 H ARG A 23 8.756 2.336 9.848 1.00 41.40 H new ATOM 0 HA ARG A 23 9.193 0.244 11.625 1.00 63.24 H new ATOM 0 HB2 ARG A 23 6.586 1.289 10.453 1.00 11.10 H new ATOM 0 HB3 ARG A 23 6.718 0.303 11.896 1.00 11.10 H new ATOM 0 HG2 ARG A 23 8.333 2.820 11.840 1.00 35.00 H new ATOM 0 HG3 ARG A 23 6.593 3.000 11.953 1.00 35.00 H new ATOM 0 HD2 ARG A 23 8.339 1.340 13.817 1.00 45.15 H new ATOM 0 HD3 ARG A 23 7.634 2.899 14.192 1.00 45.15 H new ATOM 0 HE ARG A 23 5.541 1.104 13.405 1.00 5.22 H new ATOM 0 HH11 ARG A 23 7.839 1.708 16.017 1.00 55.34 H new ATOM 0 HH12 ARG A 23 6.802 0.988 17.252 1.00 55.34 H new ATOM 0 HH21 ARG A 23 4.214 0.180 15.000 1.00 72.14 H new ATOM 0 HH22 ARG A 23 4.759 0.127 16.680 1.00 72.14 H new ATOM 325 N ILE A 24 7.581 -0.707 8.888 1.00 33.14 N ATOM 326 CA ILE A 24 7.253 -1.867 8.070 1.00 35.25 C ATOM 327 C ILE A 24 8.497 -2.691 7.760 1.00 43.25 C ATOM 328 O ILE A 24 8.485 -3.916 7.868 1.00 22.33 O ATOM 329 CB ILE A 24 6.582 -1.451 6.747 1.00 30.32 C ATOM 330 CG1 ILE A 24 5.304 -0.657 7.025 1.00 21.25 C ATOM 331 CG2 ILE A 24 6.276 -2.678 5.901 1.00 43.25 C ATOM 332 CD1 ILE A 24 4.852 0.188 5.856 1.00 11.12 C ATOM 0 H ILE A 24 7.240 0.180 8.518 1.00 33.14 H new ATOM 0 HA ILE A 24 6.555 -2.473 8.647 1.00 35.25 H new ATOM 0 HB ILE A 24 7.270 -0.813 6.192 1.00 30.32 H new ATOM 0 HG12 ILE A 24 4.506 -1.350 7.292 1.00 21.25 H new ATOM 0 HG13 ILE A 24 5.467 -0.011 7.888 1.00 21.25 H new ATOM 0 HG21 ILE A 24 5.802 -2.369 4.969 1.00 43.25 H new ATOM 0 HG22 ILE A 24 7.203 -3.207 5.679 1.00 43.25 H new ATOM 0 HG23 ILE A 24 5.604 -3.339 6.448 1.00 43.25 H new ATOM 0 HD11 ILE A 24 3.941 0.723 6.124 1.00 11.12 H new ATOM 0 HD12 ILE A 24 5.632 0.905 5.602 1.00 11.12 H new ATOM 0 HD13 ILE A 24 4.656 -0.454 4.997 1.00 11.12 H new ATOM 344 N GLU A 25 9.570 -2.008 7.373 1.00 22.23 N ATOM 345 CA GLU A 25 10.825 -2.677 7.048 1.00 72.52 C ATOM 346 C GLU A 25 11.375 -3.422 8.262 1.00 73.22 C ATOM 347 O GLU A 25 11.926 -4.516 8.136 1.00 44.42 O ATOM 348 CB GLU A 25 11.855 -1.664 6.548 1.00 14.20 C ATOM 349 CG GLU A 25 11.697 -1.311 5.078 1.00 3.44 C ATOM 350 CD GLU A 25 12.096 -2.448 4.159 1.00 23.02 C ATOM 351 OE1 GLU A 25 13.304 -2.760 4.093 1.00 22.31 O ATOM 352 OE2 GLU A 25 11.202 -3.025 3.505 1.00 5.50 O ATOM 0 H GLU A 25 9.596 -0.993 7.277 1.00 22.23 H new ATOM 0 HA GLU A 25 10.626 -3.401 6.258 1.00 72.52 H new ATOM 0 HB2 GLU A 25 11.775 -0.754 7.142 1.00 14.20 H new ATOM 0 HB3 GLU A 25 12.855 -2.065 6.711 1.00 14.20 H new ATOM 0 HG2 GLU A 25 10.660 -1.038 4.883 1.00 3.44 H new ATOM 0 HG3 GLU A 25 12.305 -0.435 4.851 1.00 3.44 H new ATOM 359 N LYS A 26 11.221 -2.821 9.436 1.00 34.14 N ATOM 360 CA LYS A 26 11.701 -3.424 10.674 1.00 71.55 C ATOM 361 C LYS A 26 10.947 -4.716 10.977 1.00 11.31 C ATOM 362 O LYS A 26 11.540 -5.793 11.039 1.00 64.34 O ATOM 363 CB LYS A 26 11.544 -2.444 11.839 1.00 71.53 C ATOM 364 CG LYS A 26 12.864 -1.900 12.358 1.00 70.15 C ATOM 365 CD LYS A 26 13.597 -2.929 13.202 1.00 4.33 C ATOM 366 CE LYS A 26 15.101 -2.848 12.998 1.00 44.52 C ATOM 367 NZ LYS A 26 15.781 -4.123 13.357 1.00 33.33 N ATOM 0 H LYS A 26 10.767 -1.916 9.557 1.00 34.14 H new ATOM 0 HA LYS A 26 12.757 -3.661 10.548 1.00 71.55 H new ATOM 0 HB2 LYS A 26 10.917 -1.611 11.520 1.00 71.53 H new ATOM 0 HB3 LYS A 26 11.020 -2.943 12.654 1.00 71.53 H new ATOM 0 HG2 LYS A 26 13.492 -1.603 11.518 1.00 70.15 H new ATOM 0 HG3 LYS A 26 12.681 -1.004 12.952 1.00 70.15 H new ATOM 0 HD2 LYS A 26 13.363 -2.771 14.255 1.00 4.33 H new ATOM 0 HD3 LYS A 26 13.247 -3.929 12.944 1.00 4.33 H new ATOM 0 HE2 LYS A 26 15.313 -2.604 11.957 1.00 44.52 H new ATOM 0 HE3 LYS A 26 15.506 -2.038 13.604 1.00 44.52 H new ATOM 0 HZ1 LYS A 26 16.805 -4.025 13.204 1.00 33.33 H new ATOM 0 HZ2 LYS A 26 15.600 -4.343 14.357 1.00 33.33 H new ATOM 0 HZ3 LYS A 26 15.413 -4.892 12.761 1.00 33.33 H new ATOM 381 N TYR A 27 9.637 -4.600 11.165 1.00 61.31 N ATOM 382 CA TYR A 27 8.803 -5.758 11.463 1.00 32.43 C ATOM 383 C TYR A 27 9.027 -6.869 10.442 1.00 65.24 C ATOM 384 O TYR A 27 9.189 -8.035 10.800 1.00 2.23 O ATOM 385 CB TYR A 27 7.327 -5.359 11.481 1.00 13.52 C ATOM 386 CG TYR A 27 6.385 -6.527 11.668 1.00 51.31 C ATOM 387 CD1 TYR A 27 5.959 -7.281 10.581 1.00 44.24 C ATOM 388 CD2 TYR A 27 5.920 -6.876 12.930 1.00 52.04 C ATOM 389 CE1 TYR A 27 5.099 -8.348 10.745 1.00 35.15 C ATOM 390 CE2 TYR A 27 5.060 -7.943 13.104 1.00 61.21 C ATOM 391 CZ TYR A 27 4.652 -8.676 12.009 1.00 72.11 C ATOM 392 OH TYR A 27 3.794 -9.738 12.179 1.00 24.21 O ATOM 0 H TYR A 27 9.130 -3.716 11.116 1.00 61.31 H new ATOM 0 HA TYR A 27 9.084 -6.131 12.448 1.00 32.43 H new ATOM 0 HB2 TYR A 27 7.164 -4.640 12.283 1.00 13.52 H new ATOM 0 HB3 TYR A 27 7.085 -4.854 10.546 1.00 13.52 H new ATOM 0 HD1 TYR A 27 6.307 -7.028 9.591 1.00 44.24 H new ATOM 0 HD2 TYR A 27 6.236 -6.303 13.789 1.00 52.04 H new ATOM 0 HE1 TYR A 27 4.778 -8.923 9.889 1.00 35.15 H new ATOM 0 HE2 TYR A 27 4.709 -8.202 14.092 1.00 61.21 H new ATOM 0 HH TYR A 27 3.577 -9.834 13.130 1.00 24.21 H new ATOM 402 N ALA A 28 9.037 -6.497 9.166 1.00 71.05 N ATOM 403 CA ALA A 28 9.244 -7.460 8.091 1.00 34.13 C ATOM 404 C ALA A 28 10.629 -8.091 8.179 1.00 64.41 C ATOM 405 O ALA A 28 10.766 -9.315 8.191 1.00 3.22 O ATOM 406 CB ALA A 28 9.052 -6.790 6.739 1.00 61.24 C ATOM 0 H ALA A 28 8.904 -5.536 8.852 1.00 71.05 H new ATOM 0 HA ALA A 28 8.505 -8.253 8.199 1.00 34.13 H new ATOM 0 HB1 ALA A 28 9.210 -7.520 5.945 1.00 61.24 H new ATOM 0 HB2 ALA A 28 8.039 -6.392 6.671 1.00 61.24 H new ATOM 0 HB3 ALA A 28 9.769 -5.976 6.631 1.00 61.24 H new ATOM 412 N LYS A 29 11.655 -7.249 8.239 1.00 53.14 N ATOM 413 CA LYS A 29 13.031 -7.723 8.326 1.00 61.52 C ATOM 414 C LYS A 29 13.223 -8.613 9.550 1.00 62.53 C ATOM 415 O LYS A 29 14.109 -9.467 9.575 1.00 31.23 O ATOM 416 CB LYS A 29 13.998 -6.539 8.387 1.00 14.12 C ATOM 417 CG LYS A 29 14.238 -5.879 7.040 1.00 33.51 C ATOM 418 CD LYS A 29 15.523 -6.376 6.397 1.00 53.30 C ATOM 419 CE LYS A 29 15.615 -5.954 4.939 1.00 34.32 C ATOM 420 NZ LYS A 29 16.329 -6.968 4.112 1.00 13.44 N ATOM 0 H LYS A 29 11.559 -6.234 8.229 1.00 53.14 H new ATOM 0 HA LYS A 29 13.243 -8.311 7.433 1.00 61.52 H new ATOM 0 HB2 LYS A 29 13.606 -5.796 9.081 1.00 14.12 H new ATOM 0 HB3 LYS A 29 14.952 -6.880 8.790 1.00 14.12 H new ATOM 0 HG2 LYS A 29 13.396 -6.083 6.378 1.00 33.51 H new ATOM 0 HG3 LYS A 29 14.288 -4.798 7.167 1.00 33.51 H new ATOM 0 HD2 LYS A 29 16.380 -5.985 6.945 1.00 53.30 H new ATOM 0 HD3 LYS A 29 15.569 -7.463 6.466 1.00 53.30 H new ATOM 0 HE2 LYS A 29 14.612 -5.802 4.541 1.00 34.32 H new ATOM 0 HE3 LYS A 29 16.134 -4.998 4.870 1.00 34.32 H new ATOM 0 HZ1 LYS A 29 16.371 -6.644 3.125 1.00 13.44 H new ATOM 0 HZ2 LYS A 29 17.295 -7.095 4.476 1.00 13.44 H new ATOM 0 HZ3 LYS A 29 15.820 -7.874 4.157 1.00 13.44 H new ATOM 434 N SER A 30 12.386 -8.408 10.562 1.00 24.32 N ATOM 435 CA SER A 30 12.466 -9.190 11.791 1.00 73.14 C ATOM 436 C SER A 30 11.716 -10.511 11.643 1.00 23.31 C ATOM 437 O SER A 30 12.221 -11.571 12.015 1.00 45.34 O ATOM 438 CB SER A 30 11.894 -8.395 12.965 1.00 54.31 C ATOM 439 OG SER A 30 12.928 -7.899 13.798 1.00 44.34 O ATOM 0 H SER A 30 11.645 -7.707 10.555 1.00 24.32 H new ATOM 0 HA SER A 30 13.516 -9.407 11.987 1.00 73.14 H new ATOM 0 HB2 SER A 30 11.296 -7.565 12.589 1.00 54.31 H new ATOM 0 HB3 SER A 30 11.227 -9.030 13.548 1.00 54.31 H new ATOM 0 HG SER A 30 12.536 -7.393 14.540 1.00 44.34 H new ATOM 445 N LYS A 31 10.508 -10.439 11.097 1.00 75.41 N ATOM 446 CA LYS A 31 9.686 -11.628 10.897 1.00 3.41 C ATOM 447 C LYS A 31 10.225 -12.475 9.749 1.00 71.14 C ATOM 448 O LYS A 31 9.823 -13.623 9.571 1.00 64.45 O ATOM 449 CB LYS A 31 8.236 -11.229 10.615 1.00 25.32 C ATOM 450 CG LYS A 31 7.383 -11.114 11.866 1.00 34.12 C ATOM 451 CD LYS A 31 7.935 -10.072 12.824 1.00 55.15 C ATOM 452 CE LYS A 31 7.195 -10.088 14.153 1.00 52.33 C ATOM 453 NZ LYS A 31 7.976 -10.781 15.214 1.00 63.55 N ATOM 0 H LYS A 31 10.075 -9.570 10.784 1.00 75.41 H new ATOM 0 HA LYS A 31 9.721 -12.222 11.810 1.00 3.41 H new ATOM 0 HB2 LYS A 31 8.226 -10.274 10.090 1.00 25.32 H new ATOM 0 HB3 LYS A 31 7.789 -11.965 9.947 1.00 25.32 H new ATOM 0 HG2 LYS A 31 6.363 -10.850 11.589 1.00 34.12 H new ATOM 0 HG3 LYS A 31 7.337 -12.081 12.366 1.00 34.12 H new ATOM 0 HD2 LYS A 31 8.995 -10.259 12.995 1.00 55.15 H new ATOM 0 HD3 LYS A 31 7.854 -9.083 12.373 1.00 55.15 H new ATOM 0 HE2 LYS A 31 6.987 -9.065 14.465 1.00 52.33 H new ATOM 0 HE3 LYS A 31 6.233 -10.585 14.027 1.00 52.33 H new ATOM 0 HZ1 LYS A 31 7.438 -10.771 16.104 1.00 63.55 H new ATOM 0 HZ2 LYS A 31 8.153 -11.765 14.928 1.00 63.55 H new ATOM 0 HZ3 LYS A 31 8.883 -10.292 15.352 1.00 63.55 H new ATOM 467 N ASN A 32 11.137 -11.899 8.971 1.00 32.45 N ATOM 468 CA ASN A 32 11.731 -12.602 7.840 1.00 11.44 C ATOM 469 C ASN A 32 10.661 -13.012 6.832 1.00 63.32 C ATOM 470 O ASN A 32 10.449 -14.199 6.586 1.00 62.54 O ATOM 471 CB ASN A 32 12.493 -13.838 8.324 1.00 34.20 C ATOM 472 CG ASN A 32 13.926 -13.522 8.704 1.00 42.32 C ATOM 473 OD1 ASN A 32 14.180 -12.781 9.653 1.00 53.45 O ATOM 474 ND2 ASN A 32 14.872 -14.084 7.960 1.00 22.34 N ATOM 0 H ASN A 32 11.480 -10.948 9.104 1.00 32.45 H new ATOM 0 HA ASN A 32 12.428 -11.924 7.348 1.00 11.44 H new ATOM 0 HB2 ASN A 32 11.978 -14.265 9.184 1.00 34.20 H new ATOM 0 HB3 ASN A 32 12.487 -14.595 7.540 1.00 34.20 H new ATOM 0 HD21 ASN A 32 15.855 -13.908 8.166 1.00 22.34 H new ATOM 0 HD22 ASN A 32 14.615 -14.692 7.182 1.00 22.34 H new ATOM 481 N ILE A 33 9.992 -12.021 6.252 1.00 13.22 N ATOM 482 CA ILE A 33 8.946 -12.278 5.270 1.00 31.43 C ATOM 483 C ILE A 33 9.367 -11.808 3.882 1.00 5.43 C ATOM 484 O ILE A 33 10.038 -10.786 3.740 1.00 52.32 O ATOM 485 CB ILE A 33 7.627 -11.585 5.657 1.00 3.42 C ATOM 486 CG1 ILE A 33 7.149 -12.077 7.025 1.00 75.21 C ATOM 487 CG2 ILE A 33 6.565 -11.835 4.597 1.00 62.41 C ATOM 488 CD1 ILE A 33 6.572 -10.981 7.894 1.00 33.43 C ATOM 0 H ILE A 33 10.156 -11.033 6.445 1.00 13.22 H new ATOM 0 HA ILE A 33 8.788 -13.356 5.253 1.00 31.43 H new ATOM 0 HB ILE A 33 7.803 -10.511 5.719 1.00 3.42 H new ATOM 0 HG12 ILE A 33 6.394 -12.850 6.881 1.00 75.21 H new ATOM 0 HG13 ILE A 33 7.985 -12.541 7.548 1.00 75.21 H new ATOM 0 HG21 ILE A 33 5.639 -11.338 4.886 1.00 62.41 H new ATOM 0 HG22 ILE A 33 6.906 -11.439 3.640 1.00 62.41 H new ATOM 0 HG23 ILE A 33 6.388 -12.907 4.504 1.00 62.41 H new ATOM 0 HD11 ILE A 33 6.254 -11.402 8.848 1.00 33.43 H new ATOM 0 HD12 ILE A 33 7.331 -10.218 8.069 1.00 33.43 H new ATOM 0 HD13 ILE A 33 5.715 -10.532 7.392 1.00 33.43 H new ATOM 500 N ASN A 34 8.967 -12.559 2.862 1.00 44.34 N ATOM 501 CA ASN A 34 9.302 -12.216 1.484 1.00 34.44 C ATOM 502 C ASN A 34 8.335 -11.174 0.932 1.00 53.21 C ATOM 503 O ASN A 34 7.378 -11.507 0.234 1.00 23.52 O ATOM 504 CB ASN A 34 9.276 -13.469 0.606 1.00 55.24 C ATOM 505 CG ASN A 34 10.662 -14.029 0.354 1.00 2.41 C ATOM 506 OD1 ASN A 34 11.020 -15.086 0.875 1.00 43.33 O ATOM 507 ND2 ASN A 34 11.450 -13.320 -0.446 1.00 72.15 N ATOM 0 H ASN A 34 8.411 -13.408 2.963 1.00 44.34 H new ATOM 0 HA ASN A 34 10.307 -11.793 1.474 1.00 34.44 H new ATOM 0 HB2 ASN A 34 8.661 -14.231 1.084 1.00 55.24 H new ATOM 0 HB3 ASN A 34 8.805 -13.231 -0.348 1.00 55.24 H new ATOM 0 HD21 ASN A 34 12.395 -13.646 -0.651 1.00 72.15 H new ATOM 0 HD22 ASN A 34 11.111 -12.450 -0.856 1.00 72.15 H new ATOM 514 N ALA A 35 8.594 -9.909 1.249 1.00 34.13 N ATOM 515 CA ALA A 35 7.748 -8.817 0.783 1.00 13.33 C ATOM 516 C ALA A 35 8.553 -7.533 0.615 1.00 41.12 C ATOM 517 O ALA A 35 9.680 -7.426 1.099 1.00 65.42 O ATOM 518 CB ALA A 35 6.592 -8.595 1.748 1.00 4.22 C ATOM 0 H ALA A 35 9.382 -9.616 1.826 1.00 34.13 H new ATOM 0 HA ALA A 35 7.345 -9.093 -0.191 1.00 13.33 H new ATOM 0 HB1 ALA A 35 5.969 -7.777 1.387 1.00 4.22 H new ATOM 0 HB2 ALA A 35 5.994 -9.504 1.815 1.00 4.22 H new ATOM 0 HB3 ALA A 35 6.984 -8.345 2.734 1.00 4.22 H new ATOM 524 N THR A 36 7.968 -6.559 -0.075 1.00 43.02 N ATOM 525 CA THR A 36 8.632 -5.282 -0.309 1.00 25.20 C ATOM 526 C THR A 36 7.624 -4.141 -0.364 1.00 12.10 C ATOM 527 O THR A 36 6.428 -4.364 -0.554 1.00 73.32 O ATOM 528 CB THR A 36 9.442 -5.302 -1.619 1.00 74.21 C ATOM 529 OG1 THR A 36 9.320 -6.581 -2.252 1.00 10.24 O ATOM 530 CG2 THR A 36 10.908 -4.999 -1.354 1.00 51.23 C ATOM 0 H THR A 36 7.035 -6.630 -0.482 1.00 43.02 H new ATOM 0 HA THR A 36 9.313 -5.121 0.527 1.00 25.20 H new ATOM 0 HB THR A 36 9.042 -4.532 -2.279 1.00 74.21 H new ATOM 0 HG1 THR A 36 9.714 -6.541 -3.148 1.00 10.24 H new ATOM 0 HG21 THR A 36 11.459 -5.019 -2.294 1.00 51.23 H new ATOM 0 HG22 THR A 36 10.999 -4.012 -0.901 1.00 51.23 H new ATOM 0 HG23 THR A 36 11.318 -5.749 -0.677 1.00 51.23 H new ATOM 538 N ILE A 37 8.114 -2.916 -0.198 1.00 34.22 N ATOM 539 CA ILE A 37 7.254 -1.739 -0.231 1.00 22.12 C ATOM 540 C ILE A 37 7.924 -0.591 -0.979 1.00 75.50 C ATOM 541 O ILE A 37 9.148 -0.466 -0.975 1.00 10.03 O ATOM 542 CB ILE A 37 6.890 -1.269 1.190 1.00 55.54 C ATOM 543 CG1 ILE A 37 5.820 -0.176 1.129 1.00 62.45 C ATOM 544 CG2 ILE A 37 8.128 -0.766 1.915 1.00 20.35 C ATOM 545 CD1 ILE A 37 5.131 0.070 2.452 1.00 21.14 C ATOM 0 H ILE A 37 9.101 -2.713 -0.039 1.00 34.22 H new ATOM 0 HA ILE A 37 6.342 -2.027 -0.754 1.00 22.12 H new ATOM 0 HB ILE A 37 6.487 -2.116 1.746 1.00 55.54 H new ATOM 0 HG12 ILE A 37 6.280 0.752 0.790 1.00 62.45 H new ATOM 0 HG13 ILE A 37 5.073 -0.452 0.385 1.00 62.45 H new ATOM 0 HG21 ILE A 37 7.854 -0.437 2.918 1.00 20.35 H new ATOM 0 HG22 ILE A 37 8.861 -1.570 1.984 1.00 20.35 H new ATOM 0 HG23 ILE A 37 8.558 0.070 1.364 1.00 20.35 H new ATOM 0 HD11 ILE A 37 4.386 0.857 2.333 1.00 21.14 H new ATOM 0 HD12 ILE A 37 4.642 -0.846 2.783 1.00 21.14 H new ATOM 0 HD13 ILE A 37 5.868 0.377 3.194 1.00 21.14 H new ATOM 557 N GLU A 38 7.112 0.244 -1.618 1.00 52.45 N ATOM 558 CA GLU A 38 7.627 1.384 -2.369 1.00 30.21 C ATOM 559 C GLU A 38 6.560 2.464 -2.516 1.00 40.54 C ATOM 560 O GLU A 38 5.364 2.186 -2.440 1.00 21.11 O ATOM 561 CB GLU A 38 8.109 0.936 -3.751 1.00 73.51 C ATOM 562 CG GLU A 38 8.952 1.978 -4.468 1.00 74.43 C ATOM 563 CD GLU A 38 9.592 1.439 -5.732 1.00 64.24 C ATOM 564 OE1 GLU A 38 10.662 0.802 -5.631 1.00 3.01 O ATOM 565 OE2 GLU A 38 9.024 1.653 -6.823 1.00 40.45 O ATOM 0 H GLU A 38 6.096 0.154 -1.631 1.00 52.45 H new ATOM 0 HA GLU A 38 8.469 1.802 -1.816 1.00 30.21 H new ATOM 0 HB2 GLU A 38 8.691 0.020 -3.645 1.00 73.51 H new ATOM 0 HB3 GLU A 38 7.243 0.694 -4.368 1.00 73.51 H new ATOM 0 HG2 GLU A 38 8.328 2.836 -4.718 1.00 74.43 H new ATOM 0 HG3 GLU A 38 9.731 2.336 -3.795 1.00 74.43 H new ATOM 572 N ALA A 39 7.002 3.700 -2.728 1.00 64.02 N ATOM 573 CA ALA A 39 6.088 4.823 -2.888 1.00 51.13 C ATOM 574 C ALA A 39 6.381 5.592 -4.172 1.00 74.02 C ATOM 575 O ALA A 39 7.533 5.708 -4.588 1.00 64.41 O ATOM 576 CB ALA A 39 6.174 5.750 -1.684 1.00 64.33 C ATOM 0 H ALA A 39 7.989 3.948 -2.793 1.00 64.02 H new ATOM 0 HA ALA A 39 5.075 4.427 -2.956 1.00 51.13 H new ATOM 0 HB1 ALA A 39 5.486 6.585 -1.817 1.00 64.33 H new ATOM 0 HB2 ALA A 39 5.907 5.200 -0.782 1.00 64.33 H new ATOM 0 HB3 ALA A 39 7.191 6.130 -1.589 1.00 64.33 H new ATOM 582 N ILE A 40 5.330 6.114 -4.795 1.00 75.12 N ATOM 583 CA ILE A 40 5.475 6.871 -6.032 1.00 42.33 C ATOM 584 C ILE A 40 4.349 7.887 -6.191 1.00 15.31 C ATOM 585 O ILE A 40 3.481 8.006 -5.327 1.00 14.10 O ATOM 586 CB ILE A 40 5.492 5.944 -7.262 1.00 55.01 C ATOM 587 CG1 ILE A 40 4.331 4.950 -7.193 1.00 75.14 C ATOM 588 CG2 ILE A 40 6.820 5.210 -7.354 1.00 61.30 C ATOM 589 CD1 ILE A 40 3.543 4.849 -8.481 1.00 0.13 C ATOM 0 H ILE A 40 4.369 6.027 -4.464 1.00 75.12 H new ATOM 0 HA ILE A 40 6.428 7.396 -5.970 1.00 42.33 H new ATOM 0 HB ILE A 40 5.373 6.552 -8.159 1.00 55.01 H new ATOM 0 HG12 ILE A 40 4.722 3.965 -6.938 1.00 75.14 H new ATOM 0 HG13 ILE A 40 3.658 5.245 -6.387 1.00 75.14 H new ATOM 0 HG21 ILE A 40 6.816 4.559 -8.228 1.00 61.30 H new ATOM 0 HG22 ILE A 40 7.630 5.934 -7.444 1.00 61.30 H new ATOM 0 HG23 ILE A 40 6.967 4.610 -6.456 1.00 61.30 H new ATOM 0 HD11 ILE A 40 2.736 4.126 -8.358 1.00 0.13 H new ATOM 0 HD12 ILE A 40 3.122 5.824 -8.728 1.00 0.13 H new ATOM 0 HD13 ILE A 40 4.202 4.524 -9.286 1.00 0.13 H new ATOM 601 N ALA A 41 4.370 8.617 -7.301 1.00 14.32 N ATOM 602 CA ALA A 41 3.348 9.621 -7.574 1.00 63.43 C ATOM 603 C ALA A 41 2.054 8.971 -8.053 1.00 21.11 C ATOM 604 O ALA A 41 1.968 7.748 -8.165 1.00 0.11 O ATOM 605 CB ALA A 41 3.852 10.620 -8.605 1.00 22.40 C ATOM 0 H ALA A 41 5.083 8.532 -8.026 1.00 14.32 H new ATOM 0 HA ALA A 41 3.136 10.150 -6.645 1.00 63.43 H new ATOM 0 HB1 ALA A 41 3.079 11.364 -8.799 1.00 22.40 H new ATOM 0 HB2 ALA A 41 4.745 11.116 -8.225 1.00 22.40 H new ATOM 0 HB3 ALA A 41 4.093 10.097 -9.531 1.00 22.40 H new ATOM 611 N GLU A 42 1.051 9.796 -8.335 1.00 2.15 N ATOM 612 CA GLU A 42 -0.238 9.300 -8.800 1.00 1.15 C ATOM 613 C GLU A 42 -0.275 9.227 -10.324 1.00 14.20 C ATOM 614 O GLU A 42 -1.293 8.865 -10.915 1.00 70.04 O ATOM 615 CB GLU A 42 -1.369 10.199 -8.293 1.00 61.51 C ATOM 616 CG GLU A 42 -1.172 11.668 -8.624 1.00 12.32 C ATOM 617 CD GLU A 42 -1.194 12.551 -7.390 1.00 41.33 C ATOM 618 OE1 GLU A 42 -0.660 12.123 -6.346 1.00 31.14 O ATOM 619 OE2 GLU A 42 -1.745 13.668 -7.470 1.00 3.51 O ATOM 0 H GLU A 42 1.107 10.811 -8.249 1.00 2.15 H new ATOM 0 HA GLU A 42 -0.377 8.295 -8.402 1.00 1.15 H new ATOM 0 HB2 GLU A 42 -2.311 9.861 -8.724 1.00 61.51 H new ATOM 0 HB3 GLU A 42 -1.454 10.087 -7.212 1.00 61.51 H new ATOM 0 HG2 GLU A 42 -0.221 11.796 -9.141 1.00 12.32 H new ATOM 0 HG3 GLU A 42 -1.954 11.990 -9.311 1.00 12.32 H new ATOM 626 N THR A 43 0.841 9.576 -10.955 1.00 23.33 N ATOM 627 CA THR A 43 0.937 9.553 -12.409 1.00 21.21 C ATOM 628 C THR A 43 1.557 8.248 -12.897 1.00 42.35 C ATOM 629 O THR A 43 1.283 7.800 -14.011 1.00 61.53 O ATOM 630 CB THR A 43 1.774 10.734 -12.936 1.00 51.10 C ATOM 631 OG1 THR A 43 1.925 10.632 -14.355 1.00 64.54 O ATOM 632 CG2 THR A 43 3.144 10.764 -12.275 1.00 14.33 C ATOM 0 H THR A 43 1.692 9.878 -10.481 1.00 23.33 H new ATOM 0 HA THR A 43 -0.079 9.637 -12.795 1.00 21.21 H new ATOM 0 HB THR A 43 1.251 11.659 -12.693 1.00 51.10 H new ATOM 0 HG1 THR A 43 2.457 11.387 -14.682 1.00 64.54 H new ATOM 0 HG21 THR A 43 3.717 11.606 -12.663 1.00 14.33 H new ATOM 0 HG22 THR A 43 3.025 10.872 -11.197 1.00 14.33 H new ATOM 0 HG23 THR A 43 3.673 9.836 -12.491 1.00 14.33 H new ATOM 640 N ARG A 44 2.392 7.644 -12.059 1.00 35.21 N ATOM 641 CA ARG A 44 3.050 6.390 -12.407 1.00 53.23 C ATOM 642 C ARG A 44 2.463 5.229 -11.610 1.00 63.21 C ATOM 643 O ARG A 44 3.070 4.161 -11.509 1.00 40.04 O ATOM 644 CB ARG A 44 4.554 6.491 -12.149 1.00 52.52 C ATOM 645 CG ARG A 44 5.306 7.258 -13.225 1.00 24.00 C ATOM 646 CD ARG A 44 6.717 7.605 -12.778 1.00 1.24 C ATOM 647 NE ARG A 44 7.652 7.644 -13.899 1.00 44.14 N ATOM 648 CZ ARG A 44 8.935 7.968 -13.776 1.00 14.44 C ATOM 649 NH1 ARG A 44 9.432 8.279 -12.586 1.00 53.35 N ATOM 650 NH2 ARG A 44 9.723 7.983 -14.843 1.00 34.41 N ATOM 0 H ARG A 44 2.629 8.002 -11.134 1.00 35.21 H new ATOM 0 HA ARG A 44 2.882 6.202 -13.467 1.00 53.23 H new ATOM 0 HB2 ARG A 44 4.717 6.977 -11.187 1.00 52.52 H new ATOM 0 HB3 ARG A 44 4.969 5.486 -12.073 1.00 52.52 H new ATOM 0 HG2 ARG A 44 5.348 6.662 -14.136 1.00 24.00 H new ATOM 0 HG3 ARG A 44 4.765 8.172 -13.467 1.00 24.00 H new ATOM 0 HD2 ARG A 44 6.711 8.573 -12.277 1.00 1.24 H new ATOM 0 HD3 ARG A 44 7.057 6.871 -12.048 1.00 1.24 H new ATOM 0 HE ARG A 44 7.301 7.410 -14.828 1.00 44.14 H new ATOM 0 HH11 ARG A 44 8.829 8.270 -11.763 1.00 53.35 H new ATOM 0 HH12 ARG A 44 10.417 8.527 -12.494 1.00 53.35 H new ATOM 0 HH21 ARG A 44 9.344 7.746 -15.760 1.00 34.41 H new ATOM 0 HH22 ARG A 44 10.707 8.232 -14.747 1.00 34.41 H new ATOM 664 N LEU A 45 1.280 5.443 -11.046 1.00 33.35 N ATOM 665 CA LEU A 45 0.611 4.414 -10.257 1.00 30.40 C ATOM 666 C LEU A 45 0.115 3.281 -11.149 1.00 71.33 C ATOM 667 O LEU A 45 0.473 2.119 -10.951 1.00 42.24 O ATOM 668 CB LEU A 45 -0.561 5.019 -9.482 1.00 74.35 C ATOM 669 CG LEU A 45 -1.582 4.025 -8.925 1.00 44.42 C ATOM 670 CD1 LEU A 45 -2.068 4.473 -7.555 1.00 22.23 C ATOM 671 CD2 LEU A 45 -2.752 3.869 -9.884 1.00 52.20 C ATOM 0 H LEU A 45 0.764 6.320 -11.120 1.00 33.35 H new ATOM 0 HA LEU A 45 1.333 4.006 -9.550 1.00 30.40 H new ATOM 0 HB2 LEU A 45 -0.160 5.601 -8.652 1.00 74.35 H new ATOM 0 HB3 LEU A 45 -1.083 5.716 -10.137 1.00 74.35 H new ATOM 0 HG LEU A 45 -1.096 3.055 -8.817 1.00 44.42 H new ATOM 0 HD11 LEU A 45 -2.794 3.755 -7.174 1.00 22.23 H new ATOM 0 HD12 LEU A 45 -1.222 4.533 -6.870 1.00 22.23 H new ATOM 0 HD13 LEU A 45 -2.537 5.453 -7.638 1.00 22.23 H new ATOM 0 HD21 LEU A 45 -3.468 3.158 -9.472 1.00 52.20 H new ATOM 0 HD22 LEU A 45 -3.238 4.834 -10.025 1.00 52.20 H new ATOM 0 HD23 LEU A 45 -2.389 3.502 -10.844 1.00 52.20 H new ATOM 683 N SER A 46 -0.709 3.626 -12.133 1.00 3.24 N ATOM 684 CA SER A 46 -1.255 2.638 -13.055 1.00 62.31 C ATOM 685 C SER A 46 -0.189 2.165 -14.039 1.00 70.33 C ATOM 686 O SER A 46 -0.398 1.206 -14.783 1.00 2.32 O ATOM 687 CB SER A 46 -2.445 3.223 -13.818 1.00 14.01 C ATOM 688 OG SER A 46 -2.566 2.637 -15.103 1.00 5.21 O ATOM 0 H SER A 46 -1.013 4.583 -12.312 1.00 3.24 H new ATOM 0 HA SER A 46 -1.592 1.781 -12.472 1.00 62.31 H new ATOM 0 HB2 SER A 46 -3.361 3.057 -13.252 1.00 14.01 H new ATOM 0 HB3 SER A 46 -2.323 4.302 -13.917 1.00 14.01 H new ATOM 0 HG SER A 46 -2.095 1.778 -15.116 1.00 5.21 H new ATOM 694 N GLU A 47 0.953 2.844 -14.036 1.00 51.42 N ATOM 695 CA GLU A 47 2.052 2.495 -14.929 1.00 0.15 C ATOM 696 C GLU A 47 2.981 1.477 -14.275 1.00 21.44 C ATOM 697 O GLU A 47 3.712 0.759 -14.957 1.00 63.42 O ATOM 698 CB GLU A 47 2.842 3.747 -15.317 1.00 33.45 C ATOM 699 CG GLU A 47 2.059 4.715 -16.188 1.00 75.34 C ATOM 700 CD GLU A 47 2.041 4.301 -17.648 1.00 11.45 C ATOM 701 OE1 GLU A 47 1.871 3.095 -17.919 1.00 72.35 O ATOM 702 OE2 GLU A 47 2.196 5.185 -18.516 1.00 1.30 O ATOM 0 H GLU A 47 1.142 3.639 -13.425 1.00 51.42 H new ATOM 0 HA GLU A 47 1.627 2.049 -15.829 1.00 0.15 H new ATOM 0 HB2 GLU A 47 3.159 4.262 -14.410 1.00 33.45 H new ATOM 0 HB3 GLU A 47 3.747 3.446 -15.845 1.00 33.45 H new ATOM 0 HG2 GLU A 47 1.035 4.782 -15.820 1.00 75.34 H new ATOM 0 HG3 GLU A 47 2.495 5.710 -16.102 1.00 75.34 H new ATOM 709 N VAL A 48 2.948 1.421 -12.947 1.00 22.45 N ATOM 710 CA VAL A 48 3.786 0.491 -12.199 1.00 53.44 C ATOM 711 C VAL A 48 2.947 -0.602 -11.547 1.00 3.10 C ATOM 712 O VAL A 48 3.456 -1.671 -11.209 1.00 4.22 O ATOM 713 CB VAL A 48 4.598 1.218 -11.110 1.00 62.24 C ATOM 714 CG1 VAL A 48 5.419 2.345 -11.719 1.00 72.54 C ATOM 715 CG2 VAL A 48 3.676 1.746 -10.022 1.00 40.15 C ATOM 0 H VAL A 48 2.350 2.009 -12.367 1.00 22.45 H new ATOM 0 HA VAL A 48 4.474 0.039 -12.914 1.00 53.44 H new ATOM 0 HB VAL A 48 5.286 0.504 -10.656 1.00 62.24 H new ATOM 0 HG11 VAL A 48 5.986 2.847 -10.935 1.00 72.54 H new ATOM 0 HG12 VAL A 48 6.107 1.935 -12.459 1.00 72.54 H new ATOM 0 HG13 VAL A 48 4.753 3.061 -12.200 1.00 72.54 H new ATOM 0 HG21 VAL A 48 4.266 2.257 -9.261 1.00 40.15 H new ATOM 0 HG22 VAL A 48 2.962 2.445 -10.458 1.00 40.15 H new ATOM 0 HG23 VAL A 48 3.138 0.915 -9.566 1.00 40.15 H new ATOM 725 N VAL A 49 1.658 -0.328 -11.374 1.00 4.21 N ATOM 726 CA VAL A 49 0.748 -1.289 -10.764 1.00 13.31 C ATOM 727 C VAL A 49 0.826 -2.641 -11.463 1.00 23.23 C ATOM 728 O VAL A 49 0.606 -3.684 -10.846 1.00 64.42 O ATOM 729 CB VAL A 49 -0.708 -0.786 -10.804 1.00 62.13 C ATOM 730 CG1 VAL A 49 -1.226 -0.766 -12.234 1.00 75.52 C ATOM 731 CG2 VAL A 49 -1.594 -1.650 -9.919 1.00 11.10 C ATOM 0 H VAL A 49 1.221 0.552 -11.648 1.00 4.21 H new ATOM 0 HA VAL A 49 1.058 -1.403 -9.725 1.00 13.31 H new ATOM 0 HB VAL A 49 -0.733 0.234 -10.419 1.00 62.13 H new ATOM 0 HG11 VAL A 49 -2.256 -0.408 -12.243 1.00 75.52 H new ATOM 0 HG12 VAL A 49 -0.606 -0.102 -12.836 1.00 75.52 H new ATOM 0 HG13 VAL A 49 -1.188 -1.773 -12.649 1.00 75.52 H new ATOM 0 HG21 VAL A 49 -2.619 -1.281 -9.959 1.00 11.10 H new ATOM 0 HG22 VAL A 49 -1.566 -2.681 -10.272 1.00 11.10 H new ATOM 0 HG23 VAL A 49 -1.233 -1.608 -8.891 1.00 11.10 H new ATOM 741 N ASP A 50 1.142 -2.616 -12.753 1.00 71.22 N ATOM 742 CA ASP A 50 1.252 -3.841 -13.537 1.00 50.20 C ATOM 743 C ASP A 50 2.294 -4.779 -12.936 1.00 21.51 C ATOM 744 O ASP A 50 2.239 -5.993 -13.135 1.00 34.33 O ATOM 745 CB ASP A 50 1.617 -3.514 -14.986 1.00 3.10 C ATOM 746 CG ASP A 50 1.615 -4.741 -15.875 1.00 74.11 C ATOM 747 OD1 ASP A 50 0.749 -5.618 -15.674 1.00 53.41 O ATOM 748 OD2 ASP A 50 2.480 -4.827 -16.772 1.00 3.30 O ATOM 0 H ASP A 50 1.326 -1.761 -13.278 1.00 71.22 H new ATOM 0 HA ASP A 50 0.284 -4.343 -13.519 1.00 50.20 H new ATOM 0 HB2 ASP A 50 0.911 -2.783 -15.379 1.00 3.10 H new ATOM 0 HB3 ASP A 50 2.603 -3.051 -15.013 1.00 3.10 H new ATOM 753 N ARG A 51 3.244 -4.208 -12.202 1.00 72.52 N ATOM 754 CA ARG A 51 4.300 -4.994 -11.575 1.00 41.21 C ATOM 755 C ARG A 51 3.991 -5.241 -10.101 1.00 52.41 C ATOM 756 O ARG A 51 4.138 -6.357 -9.604 1.00 24.30 O ATOM 757 CB ARG A 51 5.645 -4.279 -11.712 1.00 2.43 C ATOM 758 CG ARG A 51 5.924 -3.768 -13.116 1.00 72.13 C ATOM 759 CD ARG A 51 7.413 -3.569 -13.352 1.00 55.14 C ATOM 760 NE ARG A 51 7.788 -2.158 -13.321 1.00 1.31 N ATOM 761 CZ ARG A 51 9.034 -1.725 -13.484 1.00 75.42 C ATOM 762 NH1 ARG A 51 10.017 -2.590 -13.688 1.00 45.31 N ATOM 763 NH2 ARG A 51 9.296 -0.425 -13.443 1.00 73.11 N ATOM 0 H ARG A 51 3.304 -3.205 -12.027 1.00 72.52 H new ATOM 0 HA ARG A 51 4.354 -5.957 -12.084 1.00 41.21 H new ATOM 0 HB2 ARG A 51 5.673 -3.440 -11.017 1.00 2.43 H new ATOM 0 HB3 ARG A 51 6.442 -4.963 -11.418 1.00 2.43 H new ATOM 0 HG2 ARG A 51 5.530 -4.475 -13.846 1.00 72.13 H new ATOM 0 HG3 ARG A 51 5.401 -2.824 -13.271 1.00 72.13 H new ATOM 0 HD2 ARG A 51 7.976 -4.111 -12.592 1.00 55.14 H new ATOM 0 HD3 ARG A 51 7.687 -3.996 -14.317 1.00 55.14 H new ATOM 0 HE ARG A 51 7.054 -1.467 -13.166 1.00 1.31 H new ATOM 0 HH11 ARG A 51 9.818 -3.590 -13.720 1.00 45.31 H new ATOM 0 HH12 ARG A 51 10.973 -2.256 -13.813 1.00 45.31 H new ATOM 0 HH21 ARG A 51 8.541 0.243 -13.286 1.00 73.11 H new ATOM 0 HH22 ARG A 51 10.252 -0.093 -13.568 1.00 73.11 H new ATOM 777 N PHE A 52 3.562 -4.192 -9.408 1.00 11.40 N ATOM 778 CA PHE A 52 3.233 -4.294 -7.991 1.00 4.11 C ATOM 779 C PHE A 52 2.053 -5.237 -7.772 1.00 63.05 C ATOM 780 O PHE A 52 1.519 -5.809 -8.722 1.00 22.24 O ATOM 781 CB PHE A 52 2.909 -2.912 -7.419 1.00 2.00 C ATOM 782 CG PHE A 52 4.127 -2.078 -7.141 1.00 15.20 C ATOM 783 CD1 PHE A 52 4.650 -1.245 -8.117 1.00 21.43 C ATOM 784 CD2 PHE A 52 4.747 -2.126 -5.903 1.00 12.31 C ATOM 785 CE1 PHE A 52 5.771 -0.476 -7.863 1.00 52.43 C ATOM 786 CE2 PHE A 52 5.867 -1.359 -5.644 1.00 3.24 C ATOM 787 CZ PHE A 52 6.380 -0.533 -6.626 1.00 33.42 C ATOM 0 H PHE A 52 3.434 -3.261 -9.805 1.00 11.40 H new ATOM 0 HA PHE A 52 4.101 -4.700 -7.471 1.00 4.11 H new ATOM 0 HB2 PHE A 52 2.266 -2.379 -8.119 1.00 2.00 H new ATOM 0 HB3 PHE A 52 2.343 -3.033 -6.495 1.00 2.00 H new ATOM 0 HD1 PHE A 52 4.177 -1.196 -9.087 1.00 21.43 H new ATOM 0 HD2 PHE A 52 4.351 -2.770 -5.132 1.00 12.31 H new ATOM 0 HE1 PHE A 52 6.170 0.169 -8.632 1.00 52.43 H new ATOM 0 HE2 PHE A 52 6.341 -1.405 -4.675 1.00 3.24 H new ATOM 0 HZ PHE A 52 7.256 0.067 -6.426 1.00 33.42 H new ATOM 797 N ASP A 53 1.654 -5.393 -6.515 1.00 40.42 N ATOM 798 CA ASP A 53 0.537 -6.266 -6.171 1.00 45.33 C ATOM 799 C ASP A 53 -0.600 -5.469 -5.539 1.00 5.12 C ATOM 800 O ASP A 53 -1.718 -5.449 -6.053 1.00 11.14 O ATOM 801 CB ASP A 53 0.999 -7.366 -5.214 1.00 73.05 C ATOM 802 CG ASP A 53 1.861 -8.407 -5.903 1.00 14.04 C ATOM 803 OD1 ASP A 53 1.335 -9.133 -6.772 1.00 32.42 O ATOM 804 OD2 ASP A 53 3.062 -8.493 -5.573 1.00 32.24 O ATOM 0 H ASP A 53 2.087 -4.927 -5.717 1.00 40.42 H new ATOM 0 HA ASP A 53 0.169 -6.724 -7.089 1.00 45.33 H new ATOM 0 HB2 ASP A 53 1.560 -6.918 -4.394 1.00 73.05 H new ATOM 0 HB3 ASP A 53 0.127 -7.852 -4.776 1.00 73.05 H new ATOM 809 N VAL A 54 -0.306 -4.815 -4.419 1.00 52.20 N ATOM 810 CA VAL A 54 -1.304 -4.017 -3.716 1.00 42.20 C ATOM 811 C VAL A 54 -1.016 -2.526 -3.861 1.00 34.14 C ATOM 812 O VAL A 54 0.137 -2.114 -3.982 1.00 61.13 O ATOM 813 CB VAL A 54 -1.356 -4.376 -2.219 1.00 51.42 C ATOM 814 CG1 VAL A 54 -1.937 -5.767 -2.023 1.00 52.33 C ATOM 815 CG2 VAL A 54 0.030 -4.275 -1.599 1.00 22.11 C ATOM 0 H VAL A 54 0.614 -4.822 -3.980 1.00 52.20 H new ATOM 0 HA VAL A 54 -2.269 -4.244 -4.170 1.00 42.20 H new ATOM 0 HB VAL A 54 -2.008 -3.663 -1.714 1.00 51.42 H new ATOM 0 HG11 VAL A 54 -1.966 -6.003 -0.959 1.00 52.33 H new ATOM 0 HG12 VAL A 54 -2.948 -5.800 -2.429 1.00 52.33 H new ATOM 0 HG13 VAL A 54 -1.315 -6.497 -2.540 1.00 52.33 H new ATOM 0 HG21 VAL A 54 -0.025 -4.532 -0.541 1.00 22.11 H new ATOM 0 HG22 VAL A 54 0.706 -4.964 -2.105 1.00 22.11 H new ATOM 0 HG23 VAL A 54 0.403 -3.256 -1.706 1.00 22.11 H new ATOM 825 N VAL A 55 -2.074 -1.722 -3.847 1.00 51.41 N ATOM 826 CA VAL A 55 -1.936 -0.276 -3.974 1.00 51.25 C ATOM 827 C VAL A 55 -2.666 0.448 -2.848 1.00 1.10 C ATOM 828 O VAL A 55 -3.892 0.559 -2.859 1.00 34.44 O ATOM 829 CB VAL A 55 -2.480 0.223 -5.327 1.00 23.44 C ATOM 830 CG1 VAL A 55 -2.234 1.716 -5.484 1.00 21.31 C ATOM 831 CG2 VAL A 55 -1.850 -0.554 -6.473 1.00 41.13 C ATOM 0 H VAL A 55 -3.036 -2.047 -3.749 1.00 51.41 H new ATOM 0 HA VAL A 55 -0.871 -0.054 -3.914 1.00 51.25 H new ATOM 0 HB VAL A 55 -3.556 0.053 -5.352 1.00 23.44 H new ATOM 0 HG11 VAL A 55 -2.625 2.050 -6.445 1.00 21.31 H new ATOM 0 HG12 VAL A 55 -2.737 2.254 -4.681 1.00 21.31 H new ATOM 0 HG13 VAL A 55 -1.163 1.915 -5.439 1.00 21.31 H new ATOM 0 HG21 VAL A 55 -2.245 -0.189 -7.421 1.00 41.13 H new ATOM 0 HG22 VAL A 55 -0.769 -0.418 -6.454 1.00 41.13 H new ATOM 0 HG23 VAL A 55 -2.084 -1.613 -6.366 1.00 41.13 H new ATOM 841 N LEU A 56 -1.904 0.940 -1.878 1.00 71.40 N ATOM 842 CA LEU A 56 -2.477 1.655 -0.743 1.00 33.34 C ATOM 843 C LEU A 56 -2.284 3.160 -0.892 1.00 61.45 C ATOM 844 O LEU A 56 -1.216 3.623 -1.298 1.00 32.44 O ATOM 845 CB LEU A 56 -1.840 1.174 0.563 1.00 24.20 C ATOM 846 CG LEU A 56 -1.748 -0.341 0.747 1.00 23.03 C ATOM 847 CD1 LEU A 56 -1.491 -0.686 2.205 1.00 25.20 C ATOM 848 CD2 LEU A 56 -3.018 -1.016 0.253 1.00 32.44 C ATOM 0 H LEU A 56 -0.888 0.857 -1.854 1.00 71.40 H new ATOM 0 HA LEU A 56 -3.546 1.446 -0.717 1.00 33.34 H new ATOM 0 HB2 LEU A 56 -0.834 1.589 0.628 1.00 24.20 H new ATOM 0 HB3 LEU A 56 -2.410 1.587 1.395 1.00 24.20 H new ATOM 0 HG LEU A 56 -0.911 -0.710 0.155 1.00 23.03 H new ATOM 0 HD11 LEU A 56 -1.429 -1.768 2.317 1.00 25.20 H new ATOM 0 HD12 LEU A 56 -0.553 -0.233 2.526 1.00 25.20 H new ATOM 0 HD13 LEU A 56 -2.307 -0.304 2.819 1.00 25.20 H new ATOM 0 HD21 LEU A 56 -2.935 -2.094 0.392 1.00 32.44 H new ATOM 0 HD22 LEU A 56 -3.872 -0.642 0.818 1.00 32.44 H new ATOM 0 HD23 LEU A 56 -3.159 -0.796 -0.805 1.00 32.44 H new ATOM 860 N LEU A 57 -3.322 3.921 -0.561 1.00 65.23 N ATOM 861 CA LEU A 57 -3.266 5.375 -0.657 1.00 42.01 C ATOM 862 C LEU A 57 -2.958 5.998 0.700 1.00 44.20 C ATOM 863 O LEU A 57 -3.309 5.446 1.742 1.00 24.13 O ATOM 864 CB LEU A 57 -4.590 5.922 -1.194 1.00 45.22 C ATOM 865 CG LEU A 57 -4.754 7.441 -1.151 1.00 74.15 C ATOM 866 CD1 LEU A 57 -3.807 8.109 -2.136 1.00 63.24 C ATOM 867 CD2 LEU A 57 -6.195 7.830 -1.449 1.00 54.10 C ATOM 0 H LEU A 57 -4.212 3.555 -0.224 1.00 65.23 H new ATOM 0 HA LEU A 57 -2.465 5.639 -1.348 1.00 42.01 H new ATOM 0 HB2 LEU A 57 -4.704 5.593 -2.227 1.00 45.22 H new ATOM 0 HB3 LEU A 57 -5.404 5.472 -0.625 1.00 45.22 H new ATOM 0 HG LEU A 57 -4.504 7.785 -0.147 1.00 74.15 H new ATOM 0 HD11 LEU A 57 -3.938 9.190 -2.091 1.00 63.24 H new ATOM 0 HD12 LEU A 57 -2.778 7.858 -1.879 1.00 63.24 H new ATOM 0 HD13 LEU A 57 -4.025 7.759 -3.145 1.00 63.24 H new ATOM 0 HD21 LEU A 57 -6.294 8.915 -1.414 1.00 54.10 H new ATOM 0 HD22 LEU A 57 -6.471 7.472 -2.441 1.00 54.10 H new ATOM 0 HD23 LEU A 57 -6.854 7.382 -0.705 1.00 54.10 H new ATOM 879 N ALA A 58 -2.301 7.154 0.680 1.00 14.45 N ATOM 880 CA ALA A 58 -1.950 7.855 1.909 1.00 15.40 C ATOM 881 C ALA A 58 -3.028 8.864 2.292 1.00 45.32 C ATOM 882 O ALA A 58 -3.847 9.275 1.470 1.00 51.42 O ATOM 883 CB ALA A 58 -0.605 8.548 1.756 1.00 53.14 C ATOM 0 H ALA A 58 -2.001 7.624 -0.174 1.00 14.45 H new ATOM 0 HA ALA A 58 -1.877 7.119 2.710 1.00 15.40 H new ATOM 0 HB1 ALA A 58 -0.356 9.067 2.681 1.00 53.14 H new ATOM 0 HB2 ALA A 58 0.164 7.807 1.538 1.00 53.14 H new ATOM 0 HB3 ALA A 58 -0.657 9.268 0.939 1.00 53.14 H new ATOM 889 N PRO A 59 -3.028 9.274 3.569 1.00 15.45 N ATOM 890 CA PRO A 59 -4.000 10.240 4.090 1.00 54.25 C ATOM 891 C PRO A 59 -3.775 11.643 3.538 1.00 41.44 C ATOM 892 O PRO A 59 -3.230 12.509 4.221 1.00 12.34 O ATOM 893 CB PRO A 59 -3.753 10.214 5.600 1.00 21.20 C ATOM 894 CG PRO A 59 -2.338 9.771 5.743 1.00 1.44 C ATOM 895 CD PRO A 59 -2.081 8.826 4.603 1.00 34.43 C ATOM 0 HA PRO A 59 -5.021 9.983 3.807 1.00 54.25 H new ATOM 0 HB2 PRO A 59 -3.907 11.198 6.044 1.00 21.20 H new ATOM 0 HB3 PRO A 59 -4.436 9.528 6.101 1.00 21.20 H new ATOM 0 HG2 PRO A 59 -1.657 10.622 5.705 1.00 1.44 H new ATOM 0 HG3 PRO A 59 -2.179 9.278 6.702 1.00 1.44 H new ATOM 0 HD2 PRO A 59 -1.049 8.886 4.256 1.00 34.43 H new ATOM 0 HD3 PRO A 59 -2.261 7.790 4.891 1.00 34.43 H new ATOM 903 N GLN A 60 -4.198 11.862 2.296 1.00 32.25 N ATOM 904 CA GLN A 60 -4.042 13.160 1.653 1.00 4.45 C ATOM 905 C GLN A 60 -4.617 13.141 0.241 1.00 42.24 C ATOM 906 O GLN A 60 -4.932 12.081 -0.298 1.00 23.54 O ATOM 907 CB GLN A 60 -2.565 13.558 1.610 1.00 32.40 C ATOM 908 CG GLN A 60 -2.272 14.886 2.286 1.00 13.14 C ATOM 909 CD GLN A 60 -1.038 15.567 1.727 1.00 55.33 C ATOM 910 OE1 GLN A 60 -0.568 15.229 0.640 1.00 75.11 O ATOM 911 NE2 GLN A 60 -0.508 16.534 2.466 1.00 10.20 N ATOM 0 H GLN A 60 -4.651 11.156 1.716 1.00 32.25 H new ATOM 0 HA GLN A 60 -4.592 13.896 2.240 1.00 4.45 H new ATOM 0 HB2 GLN A 60 -1.973 12.778 2.089 1.00 32.40 H new ATOM 0 HB3 GLN A 60 -2.242 13.610 0.570 1.00 32.40 H new ATOM 0 HG2 GLN A 60 -3.131 15.546 2.168 1.00 13.14 H new ATOM 0 HG3 GLN A 60 -2.139 14.723 3.356 1.00 13.14 H new ATOM 0 HE21 GLN A 60 -0.930 16.782 3.361 1.00 10.20 H new ATOM 0 HE22 GLN A 60 0.321 17.029 2.139 1.00 10.20 H new ATOM 920 N SER A 61 -4.751 14.323 -0.354 1.00 62.21 N ATOM 921 CA SER A 61 -5.292 14.442 -1.703 1.00 33.31 C ATOM 922 C SER A 61 -6.748 13.984 -1.747 1.00 4.34 C ATOM 923 O SER A 61 -7.040 12.797 -1.606 1.00 54.31 O ATOM 924 CB SER A 61 -4.458 13.618 -2.685 1.00 23.22 C ATOM 925 OG SER A 61 -4.066 14.399 -3.801 1.00 23.21 O ATOM 0 H SER A 61 -4.492 15.211 0.077 1.00 62.21 H new ATOM 0 HA SER A 61 -5.250 15.492 -1.993 1.00 33.31 H new ATOM 0 HB2 SER A 61 -3.573 13.230 -2.180 1.00 23.22 H new ATOM 0 HB3 SER A 61 -5.035 12.757 -3.024 1.00 23.22 H new ATOM 0 HG SER A 61 -3.406 13.905 -4.330 1.00 23.21 H new ATOM 931 N ARG A 62 -7.655 14.935 -1.943 1.00 43.33 N ATOM 932 CA ARG A 62 -9.079 14.632 -2.005 1.00 21.14 C ATOM 933 C ARG A 62 -9.468 14.128 -3.392 1.00 11.50 C ATOM 934 O ARG A 62 -10.082 13.070 -3.530 1.00 51.12 O ATOM 935 CB ARG A 62 -9.902 15.872 -1.651 1.00 31.30 C ATOM 936 CG ARG A 62 -10.950 15.621 -0.580 1.00 15.53 C ATOM 937 CD ARG A 62 -11.873 16.820 -0.411 1.00 64.10 C ATOM 938 NE ARG A 62 -11.220 17.916 0.300 1.00 21.34 N ATOM 939 CZ ARG A 62 -11.804 19.084 0.543 1.00 22.54 C ATOM 940 NH1 ARG A 62 -13.045 19.306 0.136 1.00 70.12 N ATOM 941 NH2 ARG A 62 -11.145 20.033 1.197 1.00 61.23 N ATOM 0 H ARG A 62 -7.429 15.922 -2.062 1.00 43.33 H new ATOM 0 HA ARG A 62 -9.290 13.846 -1.280 1.00 21.14 H new ATOM 0 HB2 ARG A 62 -9.229 16.660 -1.312 1.00 31.30 H new ATOM 0 HB3 ARG A 62 -10.395 16.240 -2.551 1.00 31.30 H new ATOM 0 HG2 ARG A 62 -11.538 14.742 -0.844 1.00 15.53 H new ATOM 0 HG3 ARG A 62 -10.458 15.403 0.368 1.00 15.53 H new ATOM 0 HD2 ARG A 62 -12.200 17.167 -1.391 1.00 64.10 H new ATOM 0 HD3 ARG A 62 -12.767 16.516 0.134 1.00 64.10 H new ATOM 0 HE ARG A 62 -10.264 17.777 0.628 1.00 21.34 H new ATOM 0 HH11 ARG A 62 -13.555 18.579 -0.366 1.00 70.12 H new ATOM 0 HH12 ARG A 62 -13.491 20.204 0.324 1.00 70.12 H new ATOM 0 HH21 ARG A 62 -10.190 19.865 1.513 1.00 61.23 H new ATOM 0 HH22 ARG A 62 -11.594 20.930 1.383 1.00 61.23 H new ATOM 955 N PHE A 63 -9.107 14.895 -4.416 1.00 34.43 N ATOM 956 CA PHE A 63 -9.421 14.527 -5.792 1.00 44.13 C ATOM 957 C PHE A 63 -8.736 13.218 -6.174 1.00 71.52 C ATOM 958 O PHE A 63 -9.313 12.386 -6.874 1.00 63.51 O ATOM 959 CB PHE A 63 -8.989 15.639 -6.750 1.00 1.22 C ATOM 960 CG PHE A 63 -10.127 16.496 -7.227 1.00 3.05 C ATOM 961 CD1 PHE A 63 -10.770 17.363 -6.358 1.00 43.53 C ATOM 962 CD2 PHE A 63 -10.556 16.432 -8.543 1.00 12.22 C ATOM 963 CE1 PHE A 63 -11.817 18.153 -6.793 1.00 43.14 C ATOM 964 CE2 PHE A 63 -11.602 17.219 -8.984 1.00 14.44 C ATOM 965 CZ PHE A 63 -12.235 18.080 -8.108 1.00 22.54 C ATOM 0 H PHE A 63 -8.598 15.773 -4.319 1.00 34.43 H new ATOM 0 HA PHE A 63 -10.500 14.389 -5.868 1.00 44.13 H new ATOM 0 HB2 PHE A 63 -8.253 16.271 -6.252 1.00 1.22 H new ATOM 0 HB3 PHE A 63 -8.495 15.192 -7.613 1.00 1.22 H new ATOM 0 HD1 PHE A 63 -10.449 17.422 -5.328 1.00 43.53 H new ATOM 0 HD2 PHE A 63 -10.067 15.759 -9.232 1.00 12.22 H new ATOM 0 HE1 PHE A 63 -12.308 18.827 -6.106 1.00 43.14 H new ATOM 0 HE2 PHE A 63 -11.925 17.161 -10.013 1.00 14.44 H new ATOM 0 HZ PHE A 63 -13.055 18.694 -8.450 1.00 22.54 H new ATOM 975 N ASN A 64 -7.504 13.043 -5.710 1.00 44.35 N ATOM 976 CA ASN A 64 -6.740 11.836 -6.004 1.00 11.14 C ATOM 977 C ASN A 64 -7.398 10.611 -5.378 1.00 70.42 C ATOM 978 O ASN A 64 -7.377 9.520 -5.951 1.00 54.21 O ATOM 979 CB ASN A 64 -5.306 11.977 -5.489 1.00 71.30 C ATOM 980 CG ASN A 64 -4.286 11.415 -6.460 1.00 5.31 C ATOM 981 OD1 ASN A 64 -3.448 10.592 -6.089 1.00 62.45 O ATOM 982 ND2 ASN A 64 -4.351 11.859 -7.710 1.00 4.14 N ATOM 0 H ASN A 64 -7.013 13.722 -5.128 1.00 44.35 H new ATOM 0 HA ASN A 64 -6.719 11.703 -7.086 1.00 11.14 H new ATOM 0 HB2 ASN A 64 -5.090 13.030 -5.308 1.00 71.30 H new ATOM 0 HB3 ASN A 64 -5.214 11.463 -4.532 1.00 71.30 H new ATOM 0 HD21 ASN A 64 -3.690 11.518 -8.407 1.00 4.14 H new ATOM 0 HD22 ASN A 64 -5.062 12.541 -7.973 1.00 4.14 H new ATOM 989 N LYS A 65 -7.984 10.796 -4.200 1.00 41.30 N ATOM 990 CA LYS A 65 -8.650 9.707 -3.496 1.00 53.54 C ATOM 991 C LYS A 65 -9.865 9.218 -4.278 1.00 53.41 C ATOM 992 O LYS A 65 -10.006 8.024 -4.544 1.00 54.11 O ATOM 993 CB LYS A 65 -9.079 10.162 -2.099 1.00 64.42 C ATOM 994 CG LYS A 65 -10.009 9.186 -1.400 1.00 32.21 C ATOM 995 CD LYS A 65 -9.992 9.382 0.107 1.00 74.42 C ATOM 996 CE LYS A 65 -11.049 10.381 0.551 1.00 11.00 C ATOM 997 NZ LYS A 65 -10.454 11.517 1.307 1.00 50.31 N ATOM 0 H LYS A 65 -8.011 11.691 -3.712 1.00 41.30 H new ATOM 0 HA LYS A 65 -7.944 8.882 -3.402 1.00 53.54 H new ATOM 0 HB2 LYS A 65 -8.190 10.307 -1.485 1.00 64.42 H new ATOM 0 HB3 LYS A 65 -9.574 11.130 -2.177 1.00 64.42 H new ATOM 0 HG2 LYS A 65 -11.024 9.318 -1.774 1.00 32.21 H new ATOM 0 HG3 LYS A 65 -9.712 8.165 -1.638 1.00 32.21 H new ATOM 0 HD2 LYS A 65 -10.163 8.426 0.601 1.00 74.42 H new ATOM 0 HD3 LYS A 65 -9.007 9.730 0.419 1.00 74.42 H new ATOM 0 HE2 LYS A 65 -11.578 10.763 -0.322 1.00 11.00 H new ATOM 0 HE3 LYS A 65 -11.787 9.876 1.175 1.00 11.00 H new ATOM 0 HZ1 LYS A 65 -11.206 12.176 1.592 1.00 50.31 H new ATOM 0 HZ2 LYS A 65 -9.971 11.155 2.154 1.00 50.31 H new ATOM 0 HZ3 LYS A 65 -9.768 12.014 0.704 1.00 50.31 H new ATOM 1011 N LYS A 66 -10.741 10.148 -4.645 1.00 22.32 N ATOM 1012 CA LYS A 66 -11.944 9.813 -5.399 1.00 24.23 C ATOM 1013 C LYS A 66 -11.586 9.171 -6.735 1.00 62.30 C ATOM 1014 O LYS A 66 -12.148 8.141 -7.109 1.00 64.34 O ATOM 1015 CB LYS A 66 -12.789 11.067 -5.633 1.00 71.33 C ATOM 1016 CG LYS A 66 -14.035 10.812 -6.463 1.00 54.22 C ATOM 1017 CD LYS A 66 -14.871 12.073 -6.615 1.00 45.22 C ATOM 1018 CE LYS A 66 -15.762 12.301 -5.405 1.00 34.13 C ATOM 1019 NZ LYS A 66 -16.001 13.750 -5.156 1.00 22.22 N ATOM 0 H LYS A 66 -10.640 11.140 -4.432 1.00 22.32 H new ATOM 0 HA LYS A 66 -12.522 9.097 -4.815 1.00 24.23 H new ATOM 0 HB2 LYS A 66 -13.083 11.482 -4.669 1.00 71.33 H new ATOM 0 HB3 LYS A 66 -12.178 11.819 -6.131 1.00 71.33 H new ATOM 0 HG2 LYS A 66 -13.748 10.443 -7.448 1.00 54.22 H new ATOM 0 HG3 LYS A 66 -14.634 10.032 -5.993 1.00 54.22 H new ATOM 0 HD2 LYS A 66 -14.214 12.932 -6.751 1.00 45.22 H new ATOM 0 HD3 LYS A 66 -15.486 11.997 -7.512 1.00 45.22 H new ATOM 0 HE2 LYS A 66 -16.716 11.797 -5.557 1.00 34.13 H new ATOM 0 HE3 LYS A 66 -15.301 11.853 -4.525 1.00 34.13 H new ATOM 0 HZ1 LYS A 66 -16.613 13.863 -4.323 1.00 22.22 H new ATOM 0 HZ2 LYS A 66 -15.093 14.227 -4.986 1.00 22.22 H new ATOM 0 HZ3 LYS A 66 -16.464 14.173 -5.985 1.00 22.22 H new ATOM 1033 N ARG A 67 -10.649 9.785 -7.450 1.00 63.44 N ATOM 1034 CA ARG A 67 -10.217 9.272 -8.744 1.00 63.25 C ATOM 1035 C ARG A 67 -9.577 7.894 -8.598 1.00 52.22 C ATOM 1036 O ARG A 67 -9.969 6.941 -9.273 1.00 25.35 O ATOM 1037 CB ARG A 67 -9.226 10.239 -9.396 1.00 3.23 C ATOM 1038 CG ARG A 67 -9.597 10.625 -10.818 1.00 22.41 C ATOM 1039 CD ARG A 67 -8.529 11.499 -11.455 1.00 4.44 C ATOM 1040 NE ARG A 67 -9.106 12.552 -12.285 1.00 43.11 N ATOM 1041 CZ ARG A 67 -8.435 13.187 -13.240 1.00 40.11 C ATOM 1042 NH1 ARG A 67 -7.169 12.877 -13.482 1.00 61.14 N ATOM 1043 NH2 ARG A 67 -9.030 14.134 -13.954 1.00 41.32 N ATOM 0 H ARG A 67 -10.175 10.638 -7.155 1.00 63.44 H new ATOM 0 HA ARG A 67 -11.097 9.179 -9.381 1.00 63.25 H new ATOM 0 HB2 ARG A 67 -9.160 11.142 -8.789 1.00 3.23 H new ATOM 0 HB3 ARG A 67 -8.236 9.784 -9.399 1.00 3.23 H new ATOM 0 HG2 ARG A 67 -9.736 9.724 -11.416 1.00 22.41 H new ATOM 0 HG3 ARG A 67 -10.549 11.156 -10.815 1.00 22.41 H new ATOM 0 HD2 ARG A 67 -7.915 11.948 -10.674 1.00 4.44 H new ATOM 0 HD3 ARG A 67 -7.869 10.880 -12.062 1.00 4.44 H new ATOM 0 HE ARG A 67 -10.078 12.815 -12.123 1.00 43.11 H new ATOM 0 HH11 ARG A 67 -6.708 12.150 -12.935 1.00 61.14 H new ATOM 0 HH12 ARG A 67 -6.656 13.366 -14.216 1.00 61.14 H new ATOM 0 HH21 ARG A 67 -10.004 14.375 -13.770 1.00 41.32 H new ATOM 0 HH22 ARG A 67 -8.514 14.621 -14.687 1.00 41.32 H new ATOM 1057 N LEU A 68 -8.590 7.796 -7.713 1.00 53.13 N ATOM 1058 CA LEU A 68 -7.896 6.536 -7.477 1.00 41.14 C ATOM 1059 C LEU A 68 -8.888 5.405 -7.228 1.00 70.01 C ATOM 1060 O LEU A 68 -8.848 4.372 -7.897 1.00 3.35 O ATOM 1061 CB LEU A 68 -6.946 6.669 -6.286 1.00 61.11 C ATOM 1062 CG LEU A 68 -5.594 7.322 -6.574 1.00 35.32 C ATOM 1063 CD1 LEU A 68 -4.968 7.843 -5.289 1.00 55.22 C ATOM 1064 CD2 LEU A 68 -4.661 6.335 -7.262 1.00 12.14 C ATOM 0 H LEU A 68 -8.253 8.575 -7.147 1.00 53.13 H new ATOM 0 HA LEU A 68 -7.318 6.296 -8.369 1.00 41.14 H new ATOM 0 HB2 LEU A 68 -7.448 7.247 -5.510 1.00 61.11 H new ATOM 0 HB3 LEU A 68 -6.767 5.675 -5.877 1.00 61.11 H new ATOM 0 HG LEU A 68 -5.755 8.167 -7.244 1.00 35.32 H new ATOM 0 HD11 LEU A 68 -4.006 8.304 -5.514 1.00 55.22 H new ATOM 0 HD12 LEU A 68 -5.628 8.583 -4.836 1.00 55.22 H new ATOM 0 HD13 LEU A 68 -4.820 7.016 -4.595 1.00 55.22 H new ATOM 0 HD21 LEU A 68 -3.703 6.817 -7.460 1.00 12.14 H new ATOM 0 HD22 LEU A 68 -4.506 5.470 -6.617 1.00 12.14 H new ATOM 0 HD23 LEU A 68 -5.105 6.010 -8.203 1.00 12.14 H new ATOM 1076 N GLU A 69 -9.780 5.610 -6.264 1.00 34.53 N ATOM 1077 CA GLU A 69 -10.784 4.607 -5.928 1.00 21.40 C ATOM 1078 C GLU A 69 -11.750 4.393 -7.089 1.00 51.24 C ATOM 1079 O GLU A 69 -12.186 3.273 -7.350 1.00 33.41 O ATOM 1080 CB GLU A 69 -11.559 5.028 -4.677 1.00 65.53 C ATOM 1081 CG GLU A 69 -10.693 5.139 -3.433 1.00 63.25 C ATOM 1082 CD GLU A 69 -11.501 5.424 -2.182 1.00 60.45 C ATOM 1083 OE1 GLU A 69 -12.459 4.671 -1.912 1.00 31.42 O ATOM 1084 OE2 GLU A 69 -11.177 6.400 -1.476 1.00 5.42 O ATOM 0 H GLU A 69 -9.828 6.460 -5.703 1.00 34.53 H new ATOM 0 HA GLU A 69 -10.269 3.667 -5.729 1.00 21.40 H new ATOM 0 HB2 GLU A 69 -12.038 5.989 -4.863 1.00 65.53 H new ATOM 0 HB3 GLU A 69 -12.354 4.306 -4.492 1.00 65.53 H new ATOM 0 HG2 GLU A 69 -10.137 4.211 -3.298 1.00 63.25 H new ATOM 0 HG3 GLU A 69 -9.959 5.932 -3.575 1.00 63.25 H new ATOM 1091 N GLU A 70 -12.081 5.478 -7.784 1.00 5.02 N ATOM 1092 CA GLU A 70 -12.996 5.411 -8.916 1.00 72.32 C ATOM 1093 C GLU A 70 -12.377 4.626 -10.070 1.00 45.31 C ATOM 1094 O GLU A 70 -13.085 4.109 -10.934 1.00 51.11 O ATOM 1095 CB GLU A 70 -13.369 6.818 -9.385 1.00 12.14 C ATOM 1096 CG GLU A 70 -14.524 7.431 -8.610 1.00 44.41 C ATOM 1097 CD GLU A 70 -15.854 7.266 -9.318 1.00 21.53 C ATOM 1098 OE1 GLU A 70 -16.042 6.234 -9.996 1.00 20.30 O ATOM 1099 OE2 GLU A 70 -16.709 8.169 -9.194 1.00 23.43 O ATOM 0 H GLU A 70 -11.728 6.413 -7.582 1.00 5.02 H new ATOM 0 HA GLU A 70 -13.899 4.894 -8.589 1.00 72.32 H new ATOM 0 HB2 GLU A 70 -12.497 7.466 -9.294 1.00 12.14 H new ATOM 0 HB3 GLU A 70 -13.630 6.782 -10.443 1.00 12.14 H new ATOM 0 HG2 GLU A 70 -14.581 6.969 -7.625 1.00 44.41 H new ATOM 0 HG3 GLU A 70 -14.329 8.492 -8.453 1.00 44.41 H new ATOM 1106 N ILE A 71 -11.050 4.544 -10.077 1.00 21.01 N ATOM 1107 CA ILE A 71 -10.336 3.823 -11.123 1.00 41.02 C ATOM 1108 C ILE A 71 -10.015 2.398 -10.688 1.00 33.42 C ATOM 1109 O ILE A 71 -10.098 1.460 -11.482 1.00 72.14 O ATOM 1110 CB ILE A 71 -9.026 4.538 -11.505 1.00 41.21 C ATOM 1111 CG1 ILE A 71 -9.319 5.954 -12.006 1.00 53.25 C ATOM 1112 CG2 ILE A 71 -8.276 3.741 -12.562 1.00 15.21 C ATOM 1113 CD1 ILE A 71 -8.174 6.919 -11.796 1.00 13.53 C ATOM 0 H ILE A 71 -10.449 4.968 -9.370 1.00 21.01 H new ATOM 0 HA ILE A 71 -10.993 3.795 -11.992 1.00 41.02 H new ATOM 0 HB ILE A 71 -8.397 4.610 -10.618 1.00 41.21 H new ATOM 0 HG12 ILE A 71 -9.558 5.912 -13.069 1.00 53.25 H new ATOM 0 HG13 ILE A 71 -10.203 6.336 -11.495 1.00 53.25 H new ATOM 0 HG21 ILE A 71 -7.353 4.259 -12.821 1.00 15.21 H new ATOM 0 HG22 ILE A 71 -8.039 2.751 -12.171 1.00 15.21 H new ATOM 0 HG23 ILE A 71 -8.898 3.641 -13.452 1.00 15.21 H new ATOM 0 HD11 ILE A 71 -8.453 7.902 -12.175 1.00 13.53 H new ATOM 0 HD12 ILE A 71 -7.949 6.990 -10.732 1.00 13.53 H new ATOM 0 HD13 ILE A 71 -7.294 6.561 -12.330 1.00 13.53 H new ATOM 1125 N THR A 72 -9.649 2.239 -9.420 1.00 1.51 N ATOM 1126 CA THR A 72 -9.316 0.928 -8.877 1.00 42.53 C ATOM 1127 C THR A 72 -10.542 0.022 -8.838 1.00 40.45 C ATOM 1128 O THR A 72 -10.453 -1.172 -9.123 1.00 12.22 O ATOM 1129 CB THR A 72 -8.729 1.040 -7.458 1.00 61.34 C ATOM 1130 OG1 THR A 72 -9.688 1.631 -6.576 1.00 35.02 O ATOM 1131 CG2 THR A 72 -7.456 1.873 -7.463 1.00 64.21 C ATOM 0 H THR A 72 -9.576 3.004 -8.749 1.00 1.51 H new ATOM 0 HA THR A 72 -8.567 0.493 -9.538 1.00 42.53 H new ATOM 0 HB THR A 72 -8.486 0.036 -7.109 1.00 61.34 H new ATOM 0 HG1 THR A 72 -10.347 0.956 -6.310 1.00 35.02 H new ATOM 0 HG21 THR A 72 -7.060 1.938 -6.450 1.00 64.21 H new ATOM 0 HG22 THR A 72 -6.717 1.404 -8.112 1.00 64.21 H new ATOM 0 HG23 THR A 72 -7.678 2.875 -7.831 1.00 64.21 H new ATOM 1139 N LYS A 73 -11.686 0.598 -8.485 1.00 4.13 N ATOM 1140 CA LYS A 73 -12.931 -0.156 -8.410 1.00 35.10 C ATOM 1141 C LYS A 73 -13.162 -0.953 -9.690 1.00 61.20 C ATOM 1142 O LYS A 73 -13.239 -2.182 -9.679 1.00 2.25 O ATOM 1143 CB LYS A 73 -14.111 0.789 -8.166 1.00 44.42 C ATOM 1144 CG LYS A 73 -14.769 0.602 -6.810 1.00 45.03 C ATOM 1145 CD LYS A 73 -15.407 1.890 -6.318 1.00 51.34 C ATOM 1146 CE LYS A 73 -16.787 1.640 -5.731 1.00 23.55 C ATOM 1147 NZ LYS A 73 -16.712 1.186 -4.314 1.00 61.01 N ATOM 0 H LYS A 73 -11.776 1.586 -8.246 1.00 4.13 H new ATOM 0 HA LYS A 73 -12.854 -0.854 -7.576 1.00 35.10 H new ATOM 0 HB2 LYS A 73 -13.765 1.819 -8.254 1.00 44.42 H new ATOM 0 HB3 LYS A 73 -14.856 0.635 -8.946 1.00 44.42 H new ATOM 0 HG2 LYS A 73 -15.527 -0.178 -6.877 1.00 45.03 H new ATOM 0 HG3 LYS A 73 -14.026 0.264 -6.088 1.00 45.03 H new ATOM 0 HD2 LYS A 73 -14.768 2.349 -5.564 1.00 51.34 H new ATOM 0 HD3 LYS A 73 -15.484 2.597 -7.144 1.00 51.34 H new ATOM 0 HE2 LYS A 73 -17.378 2.554 -5.789 1.00 23.55 H new ATOM 0 HE3 LYS A 73 -17.305 0.888 -6.327 1.00 23.55 H new ATOM 0 HZ1 LYS A 73 -17.673 1.026 -3.949 1.00 61.01 H new ATOM 0 HZ2 LYS A 73 -16.170 0.300 -4.262 1.00 61.01 H new ATOM 0 HZ3 LYS A 73 -16.241 1.915 -3.741 1.00 61.01 H new ATOM 1161 N PRO A 74 -13.274 -0.241 -10.821 1.00 1.23 N ATOM 1162 CA PRO A 74 -13.495 -0.862 -12.129 1.00 34.31 C ATOM 1163 C PRO A 74 -12.274 -1.632 -12.620 1.00 3.43 C ATOM 1164 O PRO A 74 -12.398 -2.623 -13.339 1.00 51.23 O ATOM 1165 CB PRO A 74 -13.778 0.331 -13.045 1.00 13.52 C ATOM 1166 CG PRO A 74 -13.101 1.483 -12.387 1.00 73.41 C ATOM 1167 CD PRO A 74 -13.192 1.227 -10.908 1.00 73.02 C ATOM 0 HA PRO A 74 -14.301 -1.596 -12.100 1.00 34.31 H new ATOM 0 HB2 PRO A 74 -13.386 0.162 -14.048 1.00 13.52 H new ATOM 0 HB3 PRO A 74 -14.849 0.507 -13.147 1.00 13.52 H new ATOM 0 HG2 PRO A 74 -12.062 1.559 -12.707 1.00 73.41 H new ATOM 0 HG3 PRO A 74 -13.586 2.423 -12.651 1.00 73.41 H new ATOM 0 HD2 PRO A 74 -12.321 1.613 -10.379 1.00 73.02 H new ATOM 0 HD3 PRO A 74 -14.068 1.705 -10.470 1.00 73.02 H new ATOM 1175 N LYS A 75 -11.092 -1.170 -12.224 1.00 72.24 N ATOM 1176 CA LYS A 75 -9.846 -1.815 -12.622 1.00 63.44 C ATOM 1177 C LYS A 75 -9.753 -3.223 -12.041 1.00 61.11 C ATOM 1178 O LYS A 75 -9.168 -4.119 -12.648 1.00 53.15 O ATOM 1179 CB LYS A 75 -8.647 -0.982 -12.163 1.00 33.51 C ATOM 1180 CG LYS A 75 -8.210 0.064 -13.174 1.00 73.45 C ATOM 1181 CD LYS A 75 -7.286 -0.528 -14.224 1.00 61.55 C ATOM 1182 CE LYS A 75 -6.487 0.553 -14.937 1.00 13.24 C ATOM 1183 NZ LYS A 75 -5.072 0.591 -14.478 1.00 40.03 N ATOM 0 H LYS A 75 -10.971 -0.351 -11.628 1.00 72.24 H new ATOM 0 HA LYS A 75 -9.835 -1.888 -13.710 1.00 63.44 H new ATOM 0 HB2 LYS A 75 -8.897 -0.486 -11.225 1.00 33.51 H new ATOM 0 HB3 LYS A 75 -7.809 -1.649 -11.957 1.00 33.51 H new ATOM 0 HG2 LYS A 75 -9.087 0.491 -13.659 1.00 73.45 H new ATOM 0 HG3 LYS A 75 -7.702 0.879 -12.659 1.00 73.45 H new ATOM 0 HD2 LYS A 75 -6.603 -1.235 -13.753 1.00 61.55 H new ATOM 0 HD3 LYS A 75 -7.873 -1.088 -14.952 1.00 61.55 H new ATOM 0 HE2 LYS A 75 -6.515 0.376 -16.012 1.00 13.24 H new ATOM 0 HE3 LYS A 75 -6.952 1.523 -14.762 1.00 13.24 H new ATOM 0 HZ1 LYS A 75 -4.593 1.413 -14.898 1.00 40.03 H new ATOM 0 HZ2 LYS A 75 -5.045 0.667 -13.441 1.00 40.03 H new ATOM 0 HZ3 LYS A 75 -4.587 -0.280 -14.774 1.00 40.03 H new ATOM 1197 N GLY A 76 -10.336 -3.411 -10.861 1.00 43.03 N ATOM 1198 CA GLY A 76 -10.308 -4.713 -10.219 1.00 12.32 C ATOM 1199 C GLY A 76 -8.952 -5.038 -9.626 1.00 10.42 C ATOM 1200 O GLY A 76 -8.279 -5.968 -10.071 1.00 72.34 O ATOM 0 H GLY A 76 -10.827 -2.686 -10.338 1.00 43.03 H new ATOM 0 HA2 GLY A 76 -11.062 -4.743 -9.432 1.00 12.32 H new ATOM 0 HA3 GLY A 76 -10.576 -5.479 -10.946 1.00 12.32 H new ATOM 1204 N ILE A 77 -8.548 -4.268 -8.620 1.00 63.41 N ATOM 1205 CA ILE A 77 -7.262 -4.480 -7.966 1.00 73.34 C ATOM 1206 C ILE A 77 -7.361 -4.226 -6.466 1.00 24.51 C ATOM 1207 O ILE A 77 -8.213 -3.475 -5.992 1.00 42.51 O ATOM 1208 CB ILE A 77 -6.172 -3.567 -8.560 1.00 33.12 C ATOM 1209 CG1 ILE A 77 -6.637 -2.109 -8.551 1.00 73.34 C ATOM 1210 CG2 ILE A 77 -5.823 -4.010 -9.973 1.00 5.44 C ATOM 1211 CD1 ILE A 77 -5.747 -1.195 -7.740 1.00 65.13 C ATOM 0 H ILE A 77 -9.092 -3.493 -8.241 1.00 63.41 H new ATOM 0 HA ILE A 77 -6.987 -5.520 -8.138 1.00 73.34 H new ATOM 0 HB ILE A 77 -5.276 -3.646 -7.944 1.00 33.12 H new ATOM 0 HG12 ILE A 77 -6.680 -1.744 -9.577 1.00 73.34 H new ATOM 0 HG13 ILE A 77 -7.651 -2.062 -8.153 1.00 73.34 H new ATOM 0 HG21 ILE A 77 -5.052 -3.356 -10.379 1.00 5.44 H new ATOM 0 HG22 ILE A 77 -5.455 -5.036 -9.952 1.00 5.44 H new ATOM 0 HG23 ILE A 77 -6.712 -3.956 -10.601 1.00 5.44 H new ATOM 0 HD11 ILE A 77 -6.138 -0.178 -7.779 1.00 65.13 H new ATOM 0 HD12 ILE A 77 -5.723 -1.535 -6.705 1.00 65.13 H new ATOM 0 HD13 ILE A 77 -4.737 -1.212 -8.151 1.00 65.13 H new ATOM 1223 N PRO A 78 -6.467 -4.868 -5.698 1.00 3.01 N ATOM 1224 CA PRO A 78 -6.431 -4.726 -4.240 1.00 25.22 C ATOM 1225 C PRO A 78 -5.961 -3.343 -3.802 1.00 62.14 C ATOM 1226 O PRO A 78 -4.760 -3.092 -3.690 1.00 11.21 O ATOM 1227 CB PRO A 78 -5.424 -5.794 -3.805 1.00 34.23 C ATOM 1228 CG PRO A 78 -4.547 -5.995 -4.991 1.00 43.33 C ATOM 1229 CD PRO A 78 -5.423 -5.780 -6.195 1.00 41.53 C ATOM 0 HA PRO A 78 -7.419 -4.844 -3.795 1.00 25.22 H new ATOM 0 HB2 PRO A 78 -4.849 -5.466 -2.939 1.00 34.23 H new ATOM 0 HB3 PRO A 78 -5.926 -6.719 -3.523 1.00 34.23 H new ATOM 0 HG2 PRO A 78 -3.714 -5.292 -4.984 1.00 43.33 H new ATOM 0 HG3 PRO A 78 -4.118 -6.997 -4.994 1.00 43.33 H new ATOM 0 HD2 PRO A 78 -4.867 -5.341 -7.023 1.00 41.53 H new ATOM 0 HD3 PRO A 78 -5.847 -6.717 -6.556 1.00 41.53 H new ATOM 1237 N ILE A 79 -6.912 -2.449 -3.559 1.00 35.33 N ATOM 1238 CA ILE A 79 -6.595 -1.092 -3.133 1.00 40.43 C ATOM 1239 C ILE A 79 -7.137 -0.812 -1.735 1.00 72.51 C ATOM 1240 O ILE A 79 -8.309 -1.059 -1.454 1.00 73.52 O ATOM 1241 CB ILE A 79 -7.165 -0.047 -4.111 1.00 41.30 C ATOM 1242 CG1 ILE A 79 -6.727 1.360 -3.701 1.00 4.32 C ATOM 1243 CG2 ILE A 79 -8.683 -0.141 -4.160 1.00 71.14 C ATOM 1244 CD1 ILE A 79 -5.683 1.958 -4.618 1.00 1.41 C ATOM 0 H ILE A 79 -7.910 -2.640 -3.650 1.00 35.33 H new ATOM 0 HA ILE A 79 -5.508 -1.012 -3.121 1.00 40.43 H new ATOM 0 HB ILE A 79 -6.774 -0.253 -5.108 1.00 41.30 H new ATOM 0 HG12 ILE A 79 -7.600 2.013 -3.683 1.00 4.32 H new ATOM 0 HG13 ILE A 79 -6.332 1.328 -2.686 1.00 4.32 H new ATOM 0 HG21 ILE A 79 -9.071 0.603 -4.855 1.00 71.14 H new ATOM 0 HG22 ILE A 79 -8.975 -1.137 -4.494 1.00 71.14 H new ATOM 0 HG23 ILE A 79 -9.091 0.043 -3.166 1.00 71.14 H new ATOM 0 HD11 ILE A 79 -5.419 2.956 -4.267 1.00 1.41 H new ATOM 0 HD12 ILE A 79 -4.794 1.327 -4.618 1.00 1.41 H new ATOM 0 HD13 ILE A 79 -6.082 2.023 -5.630 1.00 1.41 H new ATOM 1256 N GLU A 80 -6.276 -0.296 -0.864 1.00 53.15 N ATOM 1257 CA GLU A 80 -6.670 0.018 0.503 1.00 13.03 C ATOM 1258 C GLU A 80 -6.281 1.448 0.869 1.00 64.42 C ATOM 1259 O GLU A 80 -5.546 2.108 0.133 1.00 2.30 O ATOM 1260 CB GLU A 80 -6.023 -0.964 1.482 1.00 10.04 C ATOM 1261 CG GLU A 80 -7.015 -1.638 2.415 1.00 33.00 C ATOM 1262 CD GLU A 80 -8.170 -2.282 1.671 1.00 64.50 C ATOM 1263 OE1 GLU A 80 -7.907 -3.068 0.736 1.00 22.04 O ATOM 1264 OE2 GLU A 80 -9.334 -2.002 2.024 1.00 14.21 O ATOM 0 H GLU A 80 -5.302 -0.087 -1.081 1.00 53.15 H new ATOM 0 HA GLU A 80 -7.754 -0.073 0.570 1.00 13.03 H new ATOM 0 HB2 GLU A 80 -5.491 -1.729 0.917 1.00 10.04 H new ATOM 0 HB3 GLU A 80 -5.280 -0.433 2.078 1.00 10.04 H new ATOM 0 HG2 GLU A 80 -6.498 -2.397 3.003 1.00 33.00 H new ATOM 0 HG3 GLU A 80 -7.405 -0.902 3.118 1.00 33.00 H new ATOM 1271 N ILE A 81 -6.778 1.918 2.007 1.00 61.34 N ATOM 1272 CA ILE A 81 -6.482 3.268 2.469 1.00 4.11 C ATOM 1273 C ILE A 81 -6.118 3.275 3.950 1.00 21.04 C ATOM 1274 O ILE A 81 -6.862 2.757 4.785 1.00 64.13 O ATOM 1275 CB ILE A 81 -7.674 4.216 2.240 1.00 1.23 C ATOM 1276 CG1 ILE A 81 -8.041 4.259 0.756 1.00 50.53 C ATOM 1277 CG2 ILE A 81 -7.346 5.611 2.752 1.00 13.02 C ATOM 1278 CD1 ILE A 81 -9.202 5.179 0.447 1.00 51.20 C ATOM 0 H ILE A 81 -7.388 1.384 2.626 1.00 61.34 H new ATOM 0 HA ILE A 81 -5.631 3.621 1.887 1.00 4.11 H new ATOM 0 HB ILE A 81 -8.532 3.839 2.796 1.00 1.23 H new ATOM 0 HG12 ILE A 81 -7.171 4.581 0.184 1.00 50.53 H new ATOM 0 HG13 ILE A 81 -8.287 3.251 0.422 1.00 50.53 H new ATOM 0 HG21 ILE A 81 -8.198 6.270 2.583 1.00 13.02 H new ATOM 0 HG22 ILE A 81 -7.128 5.565 3.819 1.00 13.02 H new ATOM 0 HG23 ILE A 81 -6.477 5.998 2.221 1.00 13.02 H new ATOM 0 HD11 ILE A 81 -9.407 5.160 -0.623 1.00 51.20 H new ATOM 0 HD12 ILE A 81 -10.085 4.845 0.991 1.00 51.20 H new ATOM 0 HD13 ILE A 81 -8.951 6.196 0.750 1.00 51.20 H new ATOM 1290 N ILE A 82 -4.972 3.866 4.270 1.00 74.21 N ATOM 1291 CA ILE A 82 -4.512 3.942 5.651 1.00 14.43 C ATOM 1292 C ILE A 82 -5.321 4.963 6.444 1.00 13.10 C ATOM 1293 O ILE A 82 -5.740 5.989 5.910 1.00 60.13 O ATOM 1294 CB ILE A 82 -3.020 4.316 5.728 1.00 53.12 C ATOM 1295 CG1 ILE A 82 -2.208 3.468 4.747 1.00 70.54 C ATOM 1296 CG2 ILE A 82 -2.501 4.138 7.147 1.00 44.21 C ATOM 1297 CD1 ILE A 82 -0.733 3.805 4.733 1.00 75.53 C ATOM 0 H ILE A 82 -4.345 4.299 3.592 1.00 74.21 H new ATOM 0 HA ILE A 82 -4.653 2.952 6.085 1.00 14.43 H new ATOM 0 HB ILE A 82 -2.909 5.364 5.451 1.00 53.12 H new ATOM 0 HG12 ILE A 82 -2.329 2.415 5.003 1.00 70.54 H new ATOM 0 HG13 ILE A 82 -2.612 3.601 3.744 1.00 70.54 H new ATOM 0 HG21 ILE A 82 -1.445 4.406 7.185 1.00 44.21 H new ATOM 0 HG22 ILE A 82 -3.063 4.782 7.824 1.00 44.21 H new ATOM 0 HG23 ILE A 82 -2.622 3.098 7.451 1.00 44.21 H new ATOM 0 HD11 ILE A 82 -0.220 3.165 4.015 1.00 75.53 H new ATOM 0 HD12 ILE A 82 -0.601 4.849 4.448 1.00 75.53 H new ATOM 0 HD13 ILE A 82 -0.314 3.645 5.726 1.00 75.53 H new ATOM 1309 N ASN A 83 -5.536 4.674 7.724 1.00 74.45 N ATOM 1310 CA ASN A 83 -6.295 5.567 8.592 1.00 42.01 C ATOM 1311 C ASN A 83 -5.421 6.717 9.086 1.00 32.21 C ATOM 1312 O ASN A 83 -4.208 6.569 9.238 1.00 51.42 O ATOM 1313 CB ASN A 83 -6.862 4.794 9.784 1.00 5.10 C ATOM 1314 CG ASN A 83 -8.330 5.089 10.020 1.00 61.55 C ATOM 1315 OD1 ASN A 83 -9.088 5.313 9.076 1.00 14.10 O ATOM 1316 ND2 ASN A 83 -8.738 5.090 11.284 1.00 71.35 N ATOM 0 H ASN A 83 -5.195 3.829 8.182 1.00 74.45 H new ATOM 0 HA ASN A 83 -7.119 5.983 8.013 1.00 42.01 H new ATOM 0 HB2 ASN A 83 -6.732 3.725 9.615 1.00 5.10 H new ATOM 0 HB3 ASN A 83 -6.295 5.047 10.680 1.00 5.10 H new ATOM 0 HD21 ASN A 83 -9.715 5.282 11.504 1.00 71.35 H new ATOM 0 HD22 ASN A 83 -8.074 4.899 12.034 1.00 71.35 H new ATOM 1323 N THR A 84 -6.047 7.863 9.338 1.00 42.05 N ATOM 1324 CA THR A 84 -5.328 9.038 9.813 1.00 21.24 C ATOM 1325 C THR A 84 -4.472 8.702 11.030 1.00 12.12 C ATOM 1326 O THR A 84 -3.255 8.893 11.016 1.00 14.22 O ATOM 1327 CB THR A 84 -6.296 10.178 10.180 1.00 70.25 C ATOM 1328 OG1 THR A 84 -7.422 10.167 9.296 1.00 11.13 O ATOM 1329 CG2 THR A 84 -5.597 11.527 10.101 1.00 31.23 C ATOM 0 H THR A 84 -7.051 8.002 9.221 1.00 42.05 H new ATOM 0 HA THR A 84 -4.684 9.367 8.997 1.00 21.24 H new ATOM 0 HB THR A 84 -6.636 10.022 11.204 1.00 70.25 H new ATOM 0 HG1 THR A 84 -8.034 10.894 9.537 1.00 11.13 H new ATOM 0 HG21 THR A 84 -6.300 12.317 10.364 1.00 31.23 H new ATOM 0 HG22 THR A 84 -4.757 11.543 10.795 1.00 31.23 H new ATOM 0 HG23 THR A 84 -5.232 11.689 9.087 1.00 31.23 H new ATOM 1337 N ILE A 85 -5.114 8.202 12.080 1.00 3.11 N ATOM 1338 CA ILE A 85 -4.410 7.838 13.303 1.00 2.53 C ATOM 1339 C ILE A 85 -3.325 6.804 13.028 1.00 54.24 C ATOM 1340 O ILE A 85 -2.203 6.918 13.521 1.00 12.33 O ATOM 1341 CB ILE A 85 -5.377 7.282 14.365 1.00 74.42 C ATOM 1342 CG1 ILE A 85 -6.487 8.293 14.657 1.00 1.33 C ATOM 1343 CG2 ILE A 85 -4.622 6.933 15.638 1.00 0.53 C ATOM 1344 CD1 ILE A 85 -7.835 7.890 14.101 1.00 3.14 C ATOM 0 H ILE A 85 -6.121 8.040 12.108 1.00 3.11 H new ATOM 0 HA ILE A 85 -3.950 8.750 13.684 1.00 2.53 H new ATOM 0 HB ILE A 85 -5.835 6.372 13.976 1.00 74.42 H new ATOM 0 HG12 ILE A 85 -6.573 8.424 15.736 1.00 1.33 H new ATOM 0 HG13 ILE A 85 -6.205 9.260 14.240 1.00 1.33 H new ATOM 0 HG21 ILE A 85 -5.319 6.541 16.379 1.00 0.53 H new ATOM 0 HG22 ILE A 85 -3.866 6.180 15.418 1.00 0.53 H new ATOM 0 HG23 ILE A 85 -4.139 7.827 16.031 1.00 0.53 H new ATOM 0 HD11 ILE A 85 -8.573 8.654 14.346 1.00 3.14 H new ATOM 0 HD12 ILE A 85 -7.766 7.787 13.018 1.00 3.14 H new ATOM 0 HD13 ILE A 85 -8.139 6.939 14.537 1.00 3.14 H new ATOM 1356 N ASP A 86 -3.666 5.795 12.234 1.00 70.44 N ATOM 1357 CA ASP A 86 -2.720 4.740 11.888 1.00 41.04 C ATOM 1358 C ASP A 86 -1.465 5.324 11.248 1.00 43.42 C ATOM 1359 O ASP A 86 -0.345 4.978 11.624 1.00 45.24 O ATOM 1360 CB ASP A 86 -3.371 3.733 10.938 1.00 71.30 C ATOM 1361 CG ASP A 86 -4.533 3.000 11.579 1.00 12.02 C ATOM 1362 OD1 ASP A 86 -4.794 3.236 12.777 1.00 21.34 O ATOM 1363 OD2 ASP A 86 -5.182 2.191 10.882 1.00 5.43 O ATOM 0 H ASP A 86 -4.591 5.685 11.818 1.00 70.44 H new ATOM 0 HA ASP A 86 -2.433 4.228 12.806 1.00 41.04 H new ATOM 0 HB2 ASP A 86 -3.721 4.253 10.046 1.00 71.30 H new ATOM 0 HB3 ASP A 86 -2.624 3.009 10.613 1.00 71.30 H new ATOM 1368 N TYR A 87 -1.660 6.211 10.278 1.00 3.21 N ATOM 1369 CA TYR A 87 -0.543 6.841 9.582 1.00 75.21 C ATOM 1370 C TYR A 87 0.309 7.657 10.549 1.00 41.24 C ATOM 1371 O TYR A 87 1.515 7.443 10.662 1.00 5.24 O ATOM 1372 CB TYR A 87 -1.058 7.738 8.456 1.00 51.43 C ATOM 1373 CG TYR A 87 0.041 8.352 7.619 1.00 25.15 C ATOM 1374 CD1 TYR A 87 0.713 7.602 6.661 1.00 32.15 C ATOM 1375 CD2 TYR A 87 0.411 9.680 7.788 1.00 2.44 C ATOM 1376 CE1 TYR A 87 1.719 8.158 5.896 1.00 3.20 C ATOM 1377 CE2 TYR A 87 1.415 10.246 7.026 1.00 32.42 C ATOM 1378 CZ TYR A 87 2.067 9.480 6.081 1.00 12.23 C ATOM 1379 OH TYR A 87 3.068 10.038 5.321 1.00 11.32 O ATOM 0 H TYR A 87 -2.580 6.510 9.956 1.00 3.21 H new ATOM 0 HA TYR A 87 0.078 6.054 9.155 1.00 75.21 H new ATOM 0 HB2 TYR A 87 -1.713 7.154 7.809 1.00 51.43 H new ATOM 0 HB3 TYR A 87 -1.664 8.535 8.887 1.00 51.43 H new ATOM 0 HD1 TYR A 87 0.444 6.567 6.512 1.00 32.15 H new ATOM 0 HD2 TYR A 87 -0.095 10.281 8.529 1.00 2.44 H new ATOM 0 HE1 TYR A 87 2.231 7.561 5.156 1.00 3.20 H new ATOM 0 HE2 TYR A 87 1.688 11.281 7.169 1.00 32.42 H new ATOM 0 HH TYR A 87 3.188 10.977 5.576 1.00 11.32 H new ATOM 1389 N GLY A 88 -0.327 8.594 11.244 1.00 52.33 N ATOM 1390 CA GLY A 88 0.387 9.429 12.192 1.00 41.11 C ATOM 1391 C GLY A 88 1.197 8.617 13.183 1.00 50.51 C ATOM 1392 O GLY A 88 2.306 9.003 13.555 1.00 12.51 O ATOM 0 H GLY A 88 -1.325 8.790 11.168 1.00 52.33 H new ATOM 0 HA2 GLY A 88 1.051 10.103 11.650 1.00 41.11 H new ATOM 0 HA3 GLY A 88 -0.326 10.051 12.733 1.00 41.11 H new ATOM 1396 N THR A 89 0.643 7.489 13.615 1.00 60.51 N ATOM 1397 CA THR A 89 1.320 6.621 14.571 1.00 45.12 C ATOM 1398 C THR A 89 2.378 5.766 13.883 1.00 21.12 C ATOM 1399 O THR A 89 3.306 5.276 14.526 1.00 63.13 O ATOM 1400 CB THR A 89 0.323 5.700 15.297 1.00 33.54 C ATOM 1401 OG1 THR A 89 -0.290 4.806 14.361 1.00 14.51 O ATOM 1402 CG2 THR A 89 -0.749 6.513 16.006 1.00 1.24 C ATOM 0 H THR A 89 -0.274 7.155 13.318 1.00 60.51 H new ATOM 0 HA THR A 89 1.801 7.270 15.302 1.00 45.12 H new ATOM 0 HB THR A 89 0.872 5.125 16.042 1.00 33.54 H new ATOM 0 HG1 THR A 89 -0.167 3.882 14.663 1.00 14.51 H new ATOM 0 HG21 THR A 89 -1.441 5.840 16.511 1.00 1.24 H new ATOM 0 HG22 THR A 89 -0.282 7.170 16.739 1.00 1.24 H new ATOM 0 HG23 THR A 89 -1.293 7.112 15.276 1.00 1.24 H new ATOM 1410 N MET A 90 2.232 5.591 12.574 1.00 23.22 N ATOM 1411 CA MET A 90 3.178 4.794 11.800 1.00 13.54 C ATOM 1412 C MET A 90 3.167 3.340 12.258 1.00 22.32 C ATOM 1413 O MET A 90 4.163 2.834 12.772 1.00 20.44 O ATOM 1414 CB MET A 90 4.589 5.371 11.929 1.00 51.51 C ATOM 1415 CG MET A 90 4.645 6.882 11.766 1.00 41.23 C ATOM 1416 SD MET A 90 5.119 7.728 13.286 1.00 10.01 S ATOM 1417 CE MET A 90 6.689 6.941 13.636 1.00 50.42 C ATOM 0 H MET A 90 1.469 5.990 12.027 1.00 23.22 H new ATOM 0 HA MET A 90 2.873 4.829 10.754 1.00 13.54 H new ATOM 0 HB2 MET A 90 4.994 5.104 12.905 1.00 51.51 H new ATOM 0 HB3 MET A 90 5.232 4.909 11.180 1.00 51.51 H new ATOM 0 HG2 MET A 90 5.356 7.132 10.979 1.00 41.23 H new ATOM 0 HG3 MET A 90 3.670 7.245 11.442 1.00 41.23 H new ATOM 0 HE1 MET A 90 6.634 6.432 14.598 1.00 50.42 H new ATOM 0 HE2 MET A 90 6.915 6.216 12.854 1.00 50.42 H new ATOM 0 HE3 MET A 90 7.475 7.696 13.669 1.00 50.42 H new ATOM 1427 N ASN A 91 2.033 2.673 12.069 1.00 74.30 N ATOM 1428 CA ASN A 91 1.893 1.275 12.464 1.00 42.23 C ATOM 1429 C ASN A 91 2.327 0.345 11.335 1.00 50.11 C ATOM 1430 O ASN A 91 1.505 -0.109 10.540 1.00 62.05 O ATOM 1431 CB ASN A 91 0.444 0.978 12.857 1.00 62.14 C ATOM 1432 CG ASN A 91 0.170 1.273 14.319 1.00 73.03 C ATOM 1433 OD1 ASN A 91 -0.587 2.187 14.647 1.00 4.14 O ATOM 1434 ND2 ASN A 91 0.785 0.498 15.203 1.00 1.14 N ATOM 0 H ASN A 91 1.198 3.077 11.645 1.00 74.30 H new ATOM 0 HA ASN A 91 2.539 1.099 13.324 1.00 42.23 H new ATOM 0 HB2 ASN A 91 -0.227 1.573 12.237 1.00 62.14 H new ATOM 0 HB3 ASN A 91 0.222 -0.069 12.653 1.00 62.14 H new ATOM 0 HD21 ASN A 91 0.639 0.648 16.201 1.00 1.14 H new ATOM 0 HD22 ASN A 91 1.404 -0.248 14.884 1.00 1.14 H new ATOM 1441 N GLY A 92 3.625 0.065 11.273 1.00 52.34 N ATOM 1442 CA GLY A 92 4.146 -0.810 10.238 1.00 21.41 C ATOM 1443 C GLY A 92 3.403 -2.130 10.167 1.00 21.31 C ATOM 1444 O GLY A 92 3.000 -2.565 9.089 1.00 11.12 O ATOM 0 H GLY A 92 4.325 0.428 11.920 1.00 52.34 H new ATOM 0 HA2 GLY A 92 4.079 -0.307 9.273 1.00 21.41 H new ATOM 0 HA3 GLY A 92 5.203 -1.001 10.426 1.00 21.41 H new ATOM 1448 N GLU A 93 3.224 -2.769 11.319 1.00 55.12 N ATOM 1449 CA GLU A 93 2.527 -4.048 11.382 1.00 54.14 C ATOM 1450 C GLU A 93 1.158 -3.955 10.713 1.00 11.42 C ATOM 1451 O GLU A 93 0.775 -4.826 9.932 1.00 42.02 O ATOM 1452 CB GLU A 93 2.368 -4.497 12.835 1.00 10.32 C ATOM 1453 CG GLU A 93 1.847 -5.918 12.981 1.00 54.32 C ATOM 1454 CD GLU A 93 1.498 -6.267 14.414 1.00 2.22 C ATOM 1455 OE1 GLU A 93 1.177 -5.341 15.188 1.00 22.25 O ATOM 1456 OE2 GLU A 93 1.546 -7.466 14.762 1.00 52.41 O ATOM 0 H GLU A 93 3.552 -2.422 12.220 1.00 55.12 H new ATOM 0 HA GLU A 93 3.125 -4.785 10.846 1.00 54.14 H new ATOM 0 HB2 GLU A 93 3.332 -4.419 13.338 1.00 10.32 H new ATOM 0 HB3 GLU A 93 1.687 -3.815 13.344 1.00 10.32 H new ATOM 0 HG2 GLU A 93 0.963 -6.043 12.355 1.00 54.32 H new ATOM 0 HG3 GLU A 93 2.599 -6.616 12.614 1.00 54.32 H new ATOM 1463 N LYS A 94 0.424 -2.893 11.029 1.00 54.24 N ATOM 1464 CA LYS A 94 -0.903 -2.683 10.460 1.00 62.45 C ATOM 1465 C LYS A 94 -0.824 -2.502 8.948 1.00 63.45 C ATOM 1466 O LYS A 94 -1.654 -3.028 8.205 1.00 4.13 O ATOM 1467 CB LYS A 94 -1.565 -1.459 11.096 1.00 21.54 C ATOM 1468 CG LYS A 94 -1.872 -1.634 12.574 1.00 63.43 C ATOM 1469 CD LYS A 94 -2.997 -2.631 12.796 1.00 12.23 C ATOM 1470 CE LYS A 94 -2.541 -3.809 13.643 1.00 2.52 C ATOM 1471 NZ LYS A 94 -3.571 -4.882 13.702 1.00 4.34 N ATOM 0 H LYS A 94 0.725 -2.164 11.676 1.00 54.24 H new ATOM 0 HA LYS A 94 -1.506 -3.566 10.672 1.00 62.45 H new ATOM 0 HB2 LYS A 94 -0.912 -0.596 10.969 1.00 21.54 H new ATOM 0 HB3 LYS A 94 -2.491 -1.240 10.564 1.00 21.54 H new ATOM 0 HG2 LYS A 94 -0.976 -1.973 13.095 1.00 63.43 H new ATOM 0 HG3 LYS A 94 -2.147 -0.672 13.006 1.00 63.43 H new ATOM 0 HD2 LYS A 94 -3.834 -2.133 13.285 1.00 12.23 H new ATOM 0 HD3 LYS A 94 -3.359 -2.992 11.834 1.00 12.23 H new ATOM 0 HE2 LYS A 94 -1.617 -4.215 13.232 1.00 2.52 H new ATOM 0 HE3 LYS A 94 -2.317 -3.465 14.653 1.00 2.52 H new ATOM 0 HZ1 LYS A 94 -3.222 -5.667 14.289 1.00 4.34 H new ATOM 0 HZ2 LYS A 94 -4.445 -4.502 14.117 1.00 4.34 H new ATOM 0 HZ3 LYS A 94 -3.767 -5.229 12.741 1.00 4.34 H new ATOM 1485 N VAL A 95 0.180 -1.757 8.496 1.00 4.01 N ATOM 1486 CA VAL A 95 0.369 -1.509 7.072 1.00 21.13 C ATOM 1487 C VAL A 95 0.602 -2.811 6.314 1.00 74.13 C ATOM 1488 O VAL A 95 -0.215 -3.213 5.484 1.00 22.44 O ATOM 1489 CB VAL A 95 1.557 -0.562 6.820 1.00 41.45 C ATOM 1490 CG1 VAL A 95 1.735 -0.312 5.330 1.00 14.52 C ATOM 1491 CG2 VAL A 95 1.362 0.747 7.569 1.00 1.53 C ATOM 0 H VAL A 95 0.876 -1.314 9.097 1.00 4.01 H new ATOM 0 HA VAL A 95 -0.545 -1.038 6.709 1.00 21.13 H new ATOM 0 HB VAL A 95 2.464 -1.037 7.194 1.00 41.45 H new ATOM 0 HG11 VAL A 95 2.579 0.359 5.172 1.00 14.52 H new ATOM 0 HG12 VAL A 95 1.924 -1.258 4.822 1.00 14.52 H new ATOM 0 HG13 VAL A 95 0.830 0.142 4.927 1.00 14.52 H new ATOM 0 HG21 VAL A 95 2.211 1.404 7.380 1.00 1.53 H new ATOM 0 HG22 VAL A 95 0.446 1.229 7.227 1.00 1.53 H new ATOM 0 HG23 VAL A 95 1.289 0.547 8.638 1.00 1.53 H new ATOM 1501 N LEU A 96 1.721 -3.466 6.604 1.00 72.23 N ATOM 1502 CA LEU A 96 2.062 -4.725 5.949 1.00 71.11 C ATOM 1503 C LEU A 96 0.906 -5.715 6.039 1.00 31.22 C ATOM 1504 O LEU A 96 0.485 -6.284 5.032 1.00 53.42 O ATOM 1505 CB LEU A 96 3.316 -5.329 6.583 1.00 3.44 C ATOM 1506 CG LEU A 96 3.327 -5.404 8.111 1.00 35.21 C ATOM 1507 CD1 LEU A 96 3.006 -6.816 8.577 1.00 60.31 C ATOM 1508 CD2 LEU A 96 4.672 -4.953 8.658 1.00 20.04 C ATOM 0 H LEU A 96 2.407 -3.147 7.288 1.00 72.23 H new ATOM 0 HA LEU A 96 2.258 -4.518 4.897 1.00 71.11 H new ATOM 0 HB2 LEU A 96 3.449 -6.337 6.189 1.00 3.44 H new ATOM 0 HB3 LEU A 96 4.178 -4.745 6.262 1.00 3.44 H new ATOM 0 HG LEU A 96 2.559 -4.732 8.494 1.00 35.21 H new ATOM 0 HD11 LEU A 96 3.018 -6.851 9.666 1.00 60.31 H new ATOM 0 HD12 LEU A 96 2.018 -7.103 8.216 1.00 60.31 H new ATOM 0 HD13 LEU A 96 3.751 -7.507 8.183 1.00 60.31 H new ATOM 0 HD21 LEU A 96 4.661 -5.013 9.746 1.00 20.04 H new ATOM 0 HD22 LEU A 96 5.459 -5.598 8.267 1.00 20.04 H new ATOM 0 HD23 LEU A 96 4.862 -3.924 8.353 1.00 20.04 H new ATOM 1520 N GLN A 97 0.397 -5.915 7.250 1.00 30.21 N ATOM 1521 CA GLN A 97 -0.712 -6.837 7.470 1.00 33.11 C ATOM 1522 C GLN A 97 -1.869 -6.531 6.526 1.00 52.30 C ATOM 1523 O GLN A 97 -2.413 -7.429 5.881 1.00 62.13 O ATOM 1524 CB GLN A 97 -1.188 -6.758 8.922 1.00 72.41 C ATOM 1525 CG GLN A 97 -0.300 -7.516 9.895 1.00 2.23 C ATOM 1526 CD GLN A 97 -0.811 -8.912 10.187 1.00 75.35 C ATOM 1527 OE1 GLN A 97 -1.614 -9.114 11.099 1.00 40.12 O ATOM 1528 NE2 GLN A 97 -0.348 -9.886 9.413 1.00 50.24 N ATOM 0 H GLN A 97 0.734 -5.452 8.094 1.00 30.21 H new ATOM 0 HA GLN A 97 -0.358 -7.847 7.266 1.00 33.11 H new ATOM 0 HB2 GLN A 97 -1.234 -5.712 9.224 1.00 72.41 H new ATOM 0 HB3 GLN A 97 -2.202 -7.153 8.985 1.00 72.41 H new ATOM 0 HG2 GLN A 97 0.708 -7.581 9.486 1.00 2.23 H new ATOM 0 HG3 GLN A 97 -0.230 -6.957 10.828 1.00 2.23 H new ATOM 0 HE21 GLN A 97 0.316 -9.674 8.669 1.00 50.24 H new ATOM 0 HE22 GLN A 97 -0.657 -10.847 9.563 1.00 50.24 H new ATOM 1537 N LEU A 98 -2.243 -5.259 6.449 1.00 43.31 N ATOM 1538 CA LEU A 98 -3.338 -4.833 5.583 1.00 3.11 C ATOM 1539 C LEU A 98 -3.073 -5.232 4.134 1.00 24.45 C ATOM 1540 O LEU A 98 -3.899 -5.889 3.501 1.00 62.43 O ATOM 1541 CB LEU A 98 -3.531 -3.319 5.678 1.00 4.33 C ATOM 1542 CG LEU A 98 -4.886 -2.784 5.214 1.00 5.21 C ATOM 1543 CD1 LEU A 98 -6.013 -3.431 6.002 1.00 32.33 C ATOM 1544 CD2 LEU A 98 -4.937 -1.270 5.351 1.00 53.35 C ATOM 0 H LEU A 98 -1.804 -4.504 6.976 1.00 43.31 H new ATOM 0 HA LEU A 98 -4.248 -5.331 5.918 1.00 3.11 H new ATOM 0 HB2 LEU A 98 -3.380 -3.018 6.715 1.00 4.33 H new ATOM 0 HB3 LEU A 98 -2.751 -2.836 5.089 1.00 4.33 H new ATOM 0 HG LEU A 98 -5.014 -3.038 4.162 1.00 5.21 H new ATOM 0 HD11 LEU A 98 -6.970 -3.038 5.658 1.00 32.33 H new ATOM 0 HD12 LEU A 98 -5.989 -4.510 5.852 1.00 32.33 H new ATOM 0 HD13 LEU A 98 -5.890 -3.209 7.062 1.00 32.33 H new ATOM 0 HD21 LEU A 98 -5.909 -0.907 5.016 1.00 53.35 H new ATOM 0 HD22 LEU A 98 -4.786 -0.994 6.395 1.00 53.35 H new ATOM 0 HD23 LEU A 98 -4.153 -0.823 4.741 1.00 53.35 H new ATOM 1556 N ALA A 99 -1.915 -4.835 3.618 1.00 5.23 N ATOM 1557 CA ALA A 99 -1.539 -5.155 2.247 1.00 74.21 C ATOM 1558 C ALA A 99 -1.611 -6.657 1.995 1.00 74.32 C ATOM 1559 O ALA A 99 -2.026 -7.097 0.922 1.00 30.32 O ATOM 1560 CB ALA A 99 -0.142 -4.634 1.947 1.00 11.21 C ATOM 0 H ALA A 99 -1.220 -4.291 4.129 1.00 5.23 H new ATOM 0 HA ALA A 99 -2.248 -4.666 1.579 1.00 74.21 H new ATOM 0 HB1 ALA A 99 0.125 -4.880 0.919 1.00 11.21 H new ATOM 0 HB2 ALA A 99 -0.121 -3.552 2.078 1.00 11.21 H new ATOM 0 HB3 ALA A 99 0.573 -5.096 2.628 1.00 11.21 H new ATOM 1566 N ILE A 100 -1.204 -7.439 2.989 1.00 12.01 N ATOM 1567 CA ILE A 100 -1.224 -8.892 2.874 1.00 23.41 C ATOM 1568 C ILE A 100 -2.647 -9.412 2.709 1.00 14.13 C ATOM 1569 O ILE A 100 -2.996 -9.981 1.675 1.00 4.35 O ATOM 1570 CB ILE A 100 -0.584 -9.563 4.104 1.00 44.22 C ATOM 1571 CG1 ILE A 100 0.880 -9.139 4.240 1.00 44.12 C ATOM 1572 CG2 ILE A 100 -0.695 -11.077 4.000 1.00 3.40 C ATOM 1573 CD1 ILE A 100 1.363 -9.082 5.672 1.00 12.42 C ATOM 0 H ILE A 100 -0.857 -7.091 3.883 1.00 12.01 H new ATOM 0 HA ILE A 100 -0.643 -9.146 1.988 1.00 23.41 H new ATOM 0 HB ILE A 100 -1.121 -9.239 4.996 1.00 44.22 H new ATOM 0 HG12 ILE A 100 1.505 -9.836 3.682 1.00 44.12 H new ATOM 0 HG13 ILE A 100 1.010 -8.158 3.782 1.00 44.12 H new ATOM 0 HG21 ILE A 100 -0.238 -11.536 4.877 1.00 3.40 H new ATOM 0 HG22 ILE A 100 -1.746 -11.362 3.947 1.00 3.40 H new ATOM 0 HG23 ILE A 100 -0.181 -11.419 3.102 1.00 3.40 H new ATOM 0 HD11 ILE A 100 2.409 -8.775 5.691 1.00 12.42 H new ATOM 0 HD12 ILE A 100 0.763 -8.363 6.230 1.00 12.42 H new ATOM 0 HD13 ILE A 100 1.266 -10.067 6.128 1.00 12.42 H new ATOM 1585 N ASN A 101 -3.468 -9.211 3.736 1.00 43.11 N ATOM 1586 CA ASN A 101 -4.856 -9.658 3.705 1.00 65.10 C ATOM 1587 C ASN A 101 -5.575 -9.114 2.474 1.00 11.25 C ATOM 1588 O ASN A 101 -6.448 -9.773 1.911 1.00 55.20 O ATOM 1589 CB ASN A 101 -5.585 -9.215 4.974 1.00 15.22 C ATOM 1590 CG ASN A 101 -6.299 -7.888 4.797 1.00 41.15 C ATOM 1591 OD1 ASN A 101 -5.739 -6.827 5.074 1.00 13.01 O ATOM 1592 ND2 ASN A 101 -7.542 -7.943 4.333 1.00 41.04 N ATOM 0 H ASN A 101 -3.196 -8.742 4.600 1.00 43.11 H new ATOM 0 HA ASN A 101 -4.860 -10.747 3.654 1.00 65.10 H new ATOM 0 HB2 ASN A 101 -6.309 -9.979 5.260 1.00 15.22 H new ATOM 0 HB3 ASN A 101 -4.869 -9.133 5.791 1.00 15.22 H new ATOM 0 HD21 ASN A 101 -8.073 -7.083 4.193 1.00 41.04 H new ATOM 0 HD22 ASN A 101 -7.966 -8.845 4.117 1.00 41.04 H new ATOM 1599 N ALA A 102 -5.201 -7.907 2.062 1.00 20.32 N ATOM 1600 CA ALA A 102 -5.808 -7.274 0.898 1.00 62.22 C ATOM 1601 C ALA A 102 -5.461 -8.031 -0.380 1.00 74.14 C ATOM 1602 O ALA A 102 -6.326 -8.277 -1.221 1.00 22.23 O ATOM 1603 CB ALA A 102 -5.361 -5.824 0.792 1.00 13.11 C ATOM 0 H ALA A 102 -4.480 -7.348 2.518 1.00 20.32 H new ATOM 0 HA ALA A 102 -6.890 -7.300 1.024 1.00 62.22 H new ATOM 0 HB1 ALA A 102 -5.822 -5.364 -0.082 1.00 13.11 H new ATOM 0 HB2 ALA A 102 -5.664 -5.283 1.689 1.00 13.11 H new ATOM 0 HB3 ALA A 102 -4.276 -5.784 0.693 1.00 13.11 H new ATOM 1609 N PHE A 103 -4.191 -8.396 -0.520 1.00 72.34 N ATOM 1610 CA PHE A 103 -3.730 -9.124 -1.697 1.00 54.34 C ATOM 1611 C PHE A 103 -4.383 -10.500 -1.776 1.00 34.22 C ATOM 1612 O PHE A 103 -4.944 -10.875 -2.805 1.00 14.01 O ATOM 1613 CB PHE A 103 -2.208 -9.270 -1.669 1.00 0.32 C ATOM 1614 CG PHE A 103 -1.633 -9.805 -2.950 1.00 2.53 C ATOM 1615 CD1 PHE A 103 -2.045 -9.301 -4.172 1.00 71.44 C ATOM 1616 CD2 PHE A 103 -0.681 -10.811 -2.929 1.00 22.41 C ATOM 1617 CE1 PHE A 103 -1.518 -9.794 -5.353 1.00 3.34 C ATOM 1618 CE2 PHE A 103 -0.150 -11.306 -4.106 1.00 35.41 C ATOM 1619 CZ PHE A 103 -0.568 -10.796 -5.318 1.00 53.43 C ATOM 0 H PHE A 103 -3.463 -8.200 0.167 1.00 72.34 H new ATOM 0 HA PHE A 103 -4.017 -8.554 -2.581 1.00 54.34 H new ATOM 0 HB2 PHE A 103 -1.762 -8.298 -1.458 1.00 0.32 H new ATOM 0 HB3 PHE A 103 -1.930 -9.933 -0.850 1.00 0.32 H new ATOM 0 HD1 PHE A 103 -2.785 -8.515 -4.204 1.00 71.44 H new ATOM 0 HD2 PHE A 103 -0.350 -11.213 -1.983 1.00 22.41 H new ATOM 0 HE1 PHE A 103 -1.849 -9.396 -6.301 1.00 3.34 H new ATOM 0 HE2 PHE A 103 0.591 -12.091 -4.077 1.00 35.41 H new ATOM 0 HZ PHE A 103 -0.153 -11.180 -6.238 1.00 53.43 H new ATOM 1629 N ASN A 104 -4.305 -11.250 -0.681 1.00 44.04 N ATOM 1630 CA ASN A 104 -4.886 -12.586 -0.626 1.00 12.05 C ATOM 1631 C ASN A 104 -6.396 -12.532 -0.843 1.00 45.15 C ATOM 1632 O ASN A 104 -6.923 -13.165 -1.756 1.00 14.53 O ATOM 1633 CB ASN A 104 -4.576 -13.244 0.720 1.00 33.44 C ATOM 1634 CG ASN A 104 -3.405 -14.203 0.640 1.00 11.42 C ATOM 1635 OD1 ASN A 104 -3.584 -15.421 0.645 1.00 25.33 O ATOM 1636 ND2 ASN A 104 -2.197 -13.656 0.565 1.00 63.31 N ATOM 0 H ASN A 104 -3.845 -10.955 0.180 1.00 44.04 H new ATOM 0 HA ASN A 104 -4.443 -13.181 -1.425 1.00 12.05 H new ATOM 0 HB2 ASN A 104 -4.359 -12.471 1.457 1.00 33.44 H new ATOM 0 HB3 ASN A 104 -5.458 -13.780 1.070 1.00 33.44 H new ATOM 0 HD21 ASN A 104 -1.370 -14.251 0.508 1.00 63.31 H new ATOM 0 HD22 ASN A 104 -2.096 -12.641 0.564 1.00 63.31 H new ATOM 1643 N ASN A 105 -7.082 -11.770 0.002 1.00 13.03 N ATOM 1644 CA ASN A 105 -8.530 -11.633 -0.098 1.00 33.21 C ATOM 1645 C ASN A 105 -8.938 -11.164 -1.491 1.00 41.04 C ATOM 1646 O ASN A 105 -9.953 -11.602 -2.033 1.00 51.44 O ATOM 1647 CB ASN A 105 -9.044 -10.647 0.954 1.00 32.24 C ATOM 1648 CG ASN A 105 -10.530 -10.801 1.214 1.00 53.20 C ATOM 1649 OD1 ASN A 105 -11.126 -11.827 0.884 1.00 15.22 O ATOM 1650 ND2 ASN A 105 -11.136 -9.779 1.808 1.00 71.43 N ATOM 0 H ASN A 105 -6.659 -11.238 0.763 1.00 13.03 H new ATOM 0 HA ASN A 105 -8.975 -12.612 0.082 1.00 33.21 H new ATOM 0 HB2 ASN A 105 -8.498 -10.796 1.885 1.00 32.24 H new ATOM 0 HB3 ASN A 105 -8.839 -9.629 0.624 1.00 32.24 H new ATOM 0 HD21 ASN A 105 -12.135 -9.825 2.008 1.00 71.43 H new ATOM 0 HD22 ASN A 105 -10.602 -8.948 2.064 1.00 71.43 H new ATOM 1657 N LYS A 106 -8.139 -10.271 -2.066 1.00 73.50 N ATOM 1658 CA LYS A 106 -8.414 -9.744 -3.397 1.00 42.40 C ATOM 1659 C LYS A 106 -9.729 -8.970 -3.415 1.00 25.33 C ATOM 1660 O LYS A 106 -10.394 -8.833 -2.389 1.00 2.34 O ATOM 1661 CB LYS A 106 -8.466 -10.882 -4.419 1.00 50.42 C ATOM 1662 CG LYS A 106 -7.461 -10.730 -5.549 1.00 13.04 C ATOM 1663 CD LYS A 106 -8.147 -10.706 -6.904 1.00 53.43 C ATOM 1664 CE LYS A 106 -7.144 -10.529 -8.034 1.00 11.32 C ATOM 1665 NZ LYS A 106 -6.404 -11.789 -8.321 1.00 55.22 N ATOM 0 H LYS A 106 -7.296 -9.897 -1.631 1.00 73.50 H new ATOM 0 HA LYS A 106 -7.607 -9.062 -3.664 1.00 42.40 H new ATOM 0 HB2 LYS A 106 -8.285 -11.827 -3.907 1.00 50.42 H new ATOM 0 HB3 LYS A 106 -9.470 -10.935 -4.841 1.00 50.42 H new ATOM 0 HG2 LYS A 106 -6.893 -9.810 -5.411 1.00 13.04 H new ATOM 0 HG3 LYS A 106 -6.747 -11.553 -5.516 1.00 13.04 H new ATOM 0 HD2 LYS A 106 -8.700 -11.634 -7.049 1.00 53.43 H new ATOM 0 HD3 LYS A 106 -8.874 -9.894 -6.931 1.00 53.43 H new ATOM 0 HE2 LYS A 106 -7.665 -10.201 -8.934 1.00 11.32 H new ATOM 0 HE3 LYS A 106 -6.435 -9.744 -7.771 1.00 11.32 H new ATOM 0 HZ1 LYS A 106 -5.730 -11.627 -9.097 1.00 55.22 H new ATOM 0 HZ2 LYS A 106 -5.887 -12.089 -7.470 1.00 55.22 H new ATOM 0 HZ3 LYS A 106 -7.077 -12.532 -8.597 1.00 55.22 H new