USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 680 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 24 THR OG1 : rot -112:sc= 0.347 USER MOD Set 1.2: A 83 HIS :FLIP no HD1:sc= -0.582 F(o=-1.1,f=-0.23) USER MOD Set 2.1: A 7 ASN : amide:sc= 0 X(o=0,f=-0.001) USER MOD Set 2.2: A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 5 LYS NZ :NH3+ -126:sc= -1.39 (180deg=-3.14!) USER MOD Single : A 6 ASN : amide:sc= -1.86 K(o=-1.9,f=-3.2!) USER MOD Single : A 11 SER OG : rot 180:sc= 0.0872 USER MOD Single : A 12 ASN : amide:sc= -0.697 X(o=-0.7,f=-0.48) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.0183 X(o=-0.018,f=0) USER MOD Single : A 17 LYS NZ :NH3+ -155:sc=-0.00118 (180deg=-0.33) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= -0.322 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN :FLIP amide:sc= 0.275 F(o=-0.4,f=0.27) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.172 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc=-0.00647 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.0544 USER MOD Single : A 49 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0901) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 1.58 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0323 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot -4:sc= -0.0464 USER MOD Single : A 68 ASN : amide:sc= -0.46 X(o=-0.46,f=-0.34) USER MOD Single : A 69 ASN : amide:sc= -0.185 K(o=-0.19,f=-2.3!) USER MOD Single : A 71 SER OG : rot 71:sc= -1.69 USER MOD Single : A 72 CYS SG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 36:sc= 0.82 USER MOD Single : A 75 SER OG : rot 19:sc= 1.06 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 150:sc= -2.84! USER MOD Single : A 85 MET CE :methyl -162:sc= -0.442 (180deg=-0.446) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot -1:sc= 0.331 USER MOD Single : A 91 ASN : amide:sc= -0.424 X(o=-0.42,f=-0.017) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ -172:sc= -3.87 (180deg=-4.09) USER MOD Single : A 100 GLN : amide:sc= -4.23! C(o=-4.2!,f=-4.1!) USER MOD Single : A 101 TYR OH : rot -2:sc= -1.63 USER MOD ----------------------------------------------------------------- ATOM 8 N ASN A 2 4.463 -1.002 -1.440 1.00 1.12 N ATOM 9 CA ASN A 2 5.375 -2.130 -1.590 1.00 73.31 C ATOM 10 C ASN A 2 6.344 -2.207 -0.414 1.00 51.03 C ATOM 11 O ASN A 2 6.247 -1.430 0.536 1.00 61.22 O ATOM 12 CB ASN A 2 6.154 -2.012 -2.901 1.00 42.03 C ATOM 13 CG ASN A 2 5.287 -2.281 -4.116 1.00 20.42 C ATOM 14 OD1 ASN A 2 4.606 -3.304 -4.191 1.00 72.14 O ATOM 15 ND2 ASN A 2 5.309 -1.362 -5.074 1.00 20.30 N ATOM 0 HA ASN A 2 4.782 -3.044 -1.609 1.00 73.31 H new ATOM 0 HB2 ASN A 2 6.582 -1.012 -2.977 1.00 42.03 H new ATOM 0 HB3 ASN A 2 6.987 -2.715 -2.890 1.00 42.03 H new ATOM 0 HD21 ASN A 2 4.746 -1.489 -5.915 1.00 20.30 H new ATOM 0 HD22 ASN A 2 5.889 -0.529 -4.969 1.00 20.30 H new ATOM 22 N VAL A 3 7.279 -3.149 -0.486 1.00 2.12 N ATOM 23 CA VAL A 3 8.268 -3.327 0.571 1.00 13.51 C ATOM 24 C VAL A 3 9.681 -3.105 0.045 1.00 41.15 C ATOM 25 O VAL A 3 10.211 -3.923 -0.708 1.00 75.55 O ATOM 26 CB VAL A 3 8.178 -4.733 1.193 1.00 51.21 C ATOM 27 CG1 VAL A 3 7.014 -4.812 2.169 1.00 73.04 C ATOM 28 CG2 VAL A 3 8.046 -5.788 0.105 1.00 33.35 C ATOM 0 H VAL A 3 7.372 -3.801 -1.265 1.00 2.12 H new ATOM 0 HA VAL A 3 8.049 -2.584 1.338 1.00 13.51 H new ATOM 0 HB VAL A 3 9.097 -4.927 1.746 1.00 51.21 H new ATOM 0 HG11 VAL A 3 6.966 -5.813 2.598 1.00 73.04 H new ATOM 0 HG12 VAL A 3 7.157 -4.082 2.966 1.00 73.04 H new ATOM 0 HG13 VAL A 3 6.083 -4.598 1.643 1.00 73.04 H new ATOM 0 HG21 VAL A 3 7.984 -6.776 0.562 1.00 33.35 H new ATOM 0 HG22 VAL A 3 7.144 -5.600 -0.477 1.00 33.35 H new ATOM 0 HG23 VAL A 3 8.916 -5.746 -0.550 1.00 33.35 H new ATOM 38 N LEU A 4 10.288 -1.993 0.445 1.00 23.54 N ATOM 39 CA LEU A 4 11.642 -1.663 0.015 1.00 63.24 C ATOM 40 C LEU A 4 12.516 -1.284 1.206 1.00 13.12 C ATOM 41 O LEU A 4 12.034 -0.719 2.188 1.00 11.51 O ATOM 42 CB LEU A 4 11.611 -0.515 -0.996 1.00 25.13 C ATOM 43 CG LEU A 4 10.666 0.641 -0.669 1.00 1.43 C ATOM 44 CD1 LEU A 4 11.207 1.948 -1.230 1.00 33.44 C ATOM 45 CD2 LEU A 4 9.273 0.361 -1.213 1.00 12.44 C ATOM 0 H LEU A 4 9.864 -1.305 1.067 1.00 23.54 H new ATOM 0 HA LEU A 4 12.071 -2.546 -0.459 1.00 63.24 H new ATOM 0 HB2 LEU A 4 12.621 -0.116 -1.094 1.00 25.13 H new ATOM 0 HB3 LEU A 4 11.333 -0.921 -1.969 1.00 25.13 H new ATOM 0 HG LEU A 4 10.599 0.735 0.415 1.00 1.43 H new ATOM 0 HD11 LEU A 4 10.521 2.760 -0.987 1.00 33.44 H new ATOM 0 HD12 LEU A 4 12.184 2.155 -0.792 1.00 33.44 H new ATOM 0 HD13 LEU A 4 11.304 1.867 -2.313 1.00 33.44 H new ATOM 0 HD21 LEU A 4 8.614 1.194 -0.971 1.00 12.44 H new ATOM 0 HD22 LEU A 4 9.323 0.240 -2.295 1.00 12.44 H new ATOM 0 HD23 LEU A 4 8.884 -0.552 -0.763 1.00 12.44 H new ATOM 57 N LYS A 5 13.804 -1.597 1.113 1.00 54.34 N ATOM 58 CA LYS A 5 14.747 -1.286 2.181 1.00 75.15 C ATOM 59 C LYS A 5 16.176 -1.248 1.650 1.00 21.10 C ATOM 60 O LYS A 5 16.975 -0.404 2.052 1.00 11.54 O ATOM 61 CB LYS A 5 14.635 -2.320 3.304 1.00 43.44 C ATOM 62 CG LYS A 5 15.853 -2.366 4.211 1.00 52.24 C ATOM 63 CD LYS A 5 16.006 -1.079 5.004 1.00 42.00 C ATOM 64 CE LYS A 5 16.478 -1.352 6.424 1.00 63.53 C ATOM 65 NZ LYS A 5 17.022 -0.128 7.073 1.00 0.31 N ATOM 0 H LYS A 5 14.219 -2.066 0.308 1.00 54.34 H new ATOM 0 HA LYS A 5 14.499 -0.301 2.577 1.00 75.15 H new ATOM 0 HB2 LYS A 5 13.753 -2.098 3.905 1.00 43.44 H new ATOM 0 HB3 LYS A 5 14.482 -3.306 2.865 1.00 43.44 H new ATOM 0 HG2 LYS A 5 15.766 -3.209 4.897 1.00 52.24 H new ATOM 0 HG3 LYS A 5 16.748 -2.534 3.612 1.00 52.24 H new ATOM 0 HD2 LYS A 5 16.718 -0.424 4.502 1.00 42.00 H new ATOM 0 HD3 LYS A 5 15.052 -0.552 5.031 1.00 42.00 H new ATOM 0 HE2 LYS A 5 15.647 -1.738 7.015 1.00 63.53 H new ATOM 0 HE3 LYS A 5 17.245 -2.126 6.409 1.00 63.53 H new ATOM 0 HZ1 LYS A 5 17.980 -0.320 7.429 1.00 0.31 H new ATOM 0 HZ2 LYS A 5 17.059 0.646 6.379 1.00 0.31 H new ATOM 0 HZ3 LYS A 5 16.407 0.147 7.865 1.00 0.31 H new ATOM 79 N ASN A 6 16.491 -2.168 0.744 1.00 51.13 N ATOM 80 CA ASN A 6 17.824 -2.238 0.157 1.00 24.45 C ATOM 81 C ASN A 6 17.805 -1.775 -1.296 1.00 72.41 C ATOM 82 O ASN A 6 16.762 -1.790 -1.949 1.00 21.13 O ATOM 83 CB ASN A 6 18.367 -3.667 0.242 1.00 14.43 C ATOM 84 CG ASN A 6 19.077 -4.092 -1.028 1.00 52.24 C ATOM 85 OD1 ASN A 6 18.441 -4.357 -2.049 1.00 3.30 O ATOM 86 ND2 ASN A 6 20.402 -4.159 -0.971 1.00 72.12 N ATOM 0 H ASN A 6 15.841 -2.875 0.400 1.00 51.13 H new ATOM 0 HA ASN A 6 18.477 -1.573 0.722 1.00 24.45 H new ATOM 0 HB2 ASN A 6 19.057 -3.741 1.083 1.00 14.43 H new ATOM 0 HB3 ASN A 6 17.545 -4.354 0.443 1.00 14.43 H new ATOM 0 HD21 ASN A 6 20.934 -4.439 -1.795 1.00 72.12 H new ATOM 0 HD22 ASN A 6 20.887 -3.930 -0.104 1.00 72.12 H new ATOM 93 N ASN A 7 18.966 -1.365 -1.797 1.00 32.35 N ATOM 94 CA ASN A 7 19.082 -0.898 -3.173 1.00 43.11 C ATOM 95 C ASN A 7 18.841 0.606 -3.259 1.00 53.03 C ATOM 96 O ASN A 7 19.757 1.379 -3.542 1.00 71.34 O ATOM 97 CB ASN A 7 18.088 -1.638 -4.071 1.00 4.23 C ATOM 98 CG ASN A 7 18.577 -1.754 -5.501 1.00 64.55 C ATOM 99 OD1 ASN A 7 19.537 -2.472 -5.785 1.00 0.23 O ATOM 100 ND2 ASN A 7 17.918 -1.047 -6.412 1.00 33.35 N ATOM 0 H ASN A 7 19.839 -1.347 -1.270 1.00 32.35 H new ATOM 0 HA ASN A 7 20.095 -1.106 -3.517 1.00 43.11 H new ATOM 0 HB2 ASN A 7 17.911 -2.635 -3.668 1.00 4.23 H new ATOM 0 HB3 ASN A 7 17.132 -1.115 -4.058 1.00 4.23 H new ATOM 0 HD21 ASN A 7 18.202 -1.086 -7.391 1.00 33.35 H new ATOM 0 HD22 ASN A 7 17.128 -0.465 -6.133 1.00 33.35 H new ATOM 107 N THR A 8 17.600 1.016 -3.012 1.00 62.35 N ATOM 108 CA THR A 8 17.237 2.426 -3.062 1.00 40.35 C ATOM 109 C THR A 8 16.562 2.866 -1.768 1.00 41.44 C ATOM 110 O THR A 8 15.461 2.428 -1.434 1.00 25.23 O ATOM 111 CB THR A 8 16.296 2.723 -4.245 1.00 60.54 C ATOM 112 OG1 THR A 8 16.805 2.117 -5.439 1.00 55.34 O ATOM 113 CG2 THR A 8 16.146 4.222 -4.455 1.00 72.31 C ATOM 0 H THR A 8 16.830 0.390 -2.775 1.00 62.35 H new ATOM 0 HA THR A 8 18.163 2.986 -3.195 1.00 40.35 H new ATOM 0 HB THR A 8 15.316 2.305 -4.015 1.00 60.54 H new ATOM 0 HG1 THR A 8 16.201 2.309 -6.186 1.00 55.34 H new ATOM 0 HG21 THR A 8 15.477 4.406 -5.296 1.00 72.31 H new ATOM 0 HG22 THR A 8 15.731 4.676 -3.555 1.00 72.31 H new ATOM 0 HG23 THR A 8 17.122 4.659 -4.665 1.00 72.31 H new ATOM 121 N PRO A 9 17.235 3.755 -1.022 1.00 33.22 N ATOM 122 CA PRO A 9 16.718 4.275 0.247 1.00 34.25 C ATOM 123 C PRO A 9 15.521 5.199 0.051 1.00 73.13 C ATOM 124 O PRO A 9 15.372 5.824 -1.000 1.00 31.53 O ATOM 125 CB PRO A 9 17.904 5.052 0.822 1.00 24.03 C ATOM 126 CG PRO A 9 18.716 5.437 -0.366 1.00 3.11 C ATOM 127 CD PRO A 9 18.552 4.321 -1.360 1.00 33.55 C ATOM 0 HA PRO A 9 16.358 3.478 0.897 1.00 34.25 H new ATOM 0 HB2 PRO A 9 17.571 5.930 1.375 1.00 24.03 H new ATOM 0 HB3 PRO A 9 18.481 4.439 1.514 1.00 24.03 H new ATOM 0 HG2 PRO A 9 18.373 6.384 -0.783 1.00 3.11 H new ATOM 0 HG3 PRO A 9 19.764 5.568 -0.096 1.00 3.11 H new ATOM 0 HD2 PRO A 9 18.580 4.689 -2.386 1.00 33.55 H new ATOM 0 HD3 PRO A 9 19.345 3.579 -1.266 1.00 33.55 H new ATOM 135 N VAL A 10 14.669 5.282 1.068 1.00 23.12 N ATOM 136 CA VAL A 10 13.486 6.131 1.007 1.00 11.44 C ATOM 137 C VAL A 10 13.826 7.574 1.365 1.00 31.22 C ATOM 138 O VAL A 10 14.180 7.874 2.505 1.00 2.51 O ATOM 139 CB VAL A 10 12.382 5.625 1.955 1.00 4.34 C ATOM 140 CG1 VAL A 10 11.125 6.468 1.809 1.00 75.22 C ATOM 141 CG2 VAL A 10 12.085 4.157 1.690 1.00 12.32 C ATOM 0 H VAL A 10 14.776 4.771 1.944 1.00 23.12 H new ATOM 0 HA VAL A 10 13.120 6.091 -0.019 1.00 11.44 H new ATOM 0 HB VAL A 10 12.736 5.720 2.982 1.00 4.34 H new ATOM 0 HG11 VAL A 10 10.356 6.096 2.486 1.00 75.22 H new ATOM 0 HG12 VAL A 10 11.352 7.506 2.053 1.00 75.22 H new ATOM 0 HG13 VAL A 10 10.764 6.408 0.782 1.00 75.22 H new ATOM 0 HG21 VAL A 10 11.303 3.816 2.368 1.00 12.32 H new ATOM 0 HG22 VAL A 10 11.751 4.034 0.660 1.00 12.32 H new ATOM 0 HG23 VAL A 10 12.988 3.568 1.852 1.00 12.32 H new ATOM 151 N SER A 11 13.715 8.463 0.384 1.00 41.14 N ATOM 152 CA SER A 11 14.014 9.875 0.594 1.00 70.24 C ATOM 153 C SER A 11 12.824 10.595 1.221 1.00 72.44 C ATOM 154 O SER A 11 11.672 10.227 0.992 1.00 1.45 O ATOM 155 CB SER A 11 14.387 10.542 -0.732 1.00 23.43 C ATOM 156 OG SER A 11 13.879 9.808 -1.833 1.00 10.24 O ATOM 0 H SER A 11 13.420 8.231 -0.564 1.00 41.14 H new ATOM 0 HA SER A 11 14.860 9.944 1.278 1.00 70.24 H new ATOM 0 HB2 SER A 11 13.993 11.558 -0.755 1.00 23.43 H new ATOM 0 HB3 SER A 11 15.471 10.619 -0.812 1.00 23.43 H new ATOM 0 HG SER A 11 14.129 10.256 -2.668 1.00 10.24 H new ATOM 162 N ASN A 12 13.112 11.622 2.012 1.00 1.54 N ATOM 163 CA ASN A 12 12.066 12.395 2.674 1.00 65.33 C ATOM 164 C ASN A 12 11.048 11.474 3.338 1.00 74.51 C ATOM 165 O ASN A 12 9.886 11.418 2.931 1.00 64.22 O ATOM 166 CB ASN A 12 11.365 13.309 1.667 1.00 35.52 C ATOM 167 CG ASN A 12 11.529 14.777 2.007 1.00 43.30 C ATOM 168 OD1 ASN A 12 10.631 15.399 2.575 1.00 42.02 O ATOM 169 ND2 ASN A 12 12.681 15.339 1.660 1.00 43.14 N ATOM 0 H ASN A 12 14.061 11.939 2.211 1.00 1.54 H new ATOM 0 HA ASN A 12 12.533 13.007 3.446 1.00 65.33 H new ATOM 0 HB2 ASN A 12 11.766 13.123 0.671 1.00 35.52 H new ATOM 0 HB3 ASN A 12 10.304 13.063 1.634 1.00 35.52 H new ATOM 0 HD21 ASN A 12 12.849 16.324 1.863 1.00 43.14 H new ATOM 0 HD22 ASN A 12 13.398 14.785 1.191 1.00 43.14 H new ATOM 176 N LEU A 13 11.490 10.753 4.363 1.00 73.25 N ATOM 177 CA LEU A 13 10.617 9.834 5.085 1.00 74.12 C ATOM 178 C LEU A 13 9.534 10.595 5.844 1.00 71.54 C ATOM 179 O LEU A 13 9.410 11.813 5.716 1.00 53.13 O ATOM 180 CB LEU A 13 11.434 8.981 6.057 1.00 14.21 C ATOM 181 CG LEU A 13 11.990 7.671 5.497 1.00 14.52 C ATOM 182 CD1 LEU A 13 13.396 7.423 6.019 1.00 64.43 C ATOM 183 CD2 LEU A 13 11.074 6.509 5.851 1.00 20.34 C ATOM 0 H LEU A 13 12.448 10.787 4.713 1.00 73.25 H new ATOM 0 HA LEU A 13 10.134 9.182 4.357 1.00 74.12 H new ATOM 0 HB2 LEU A 13 12.268 9.580 6.422 1.00 14.21 H new ATOM 0 HB3 LEU A 13 10.808 8.748 6.919 1.00 14.21 H new ATOM 0 HG LEU A 13 12.037 7.752 4.411 1.00 14.52 H new ATOM 0 HD11 LEU A 13 13.776 6.487 5.610 1.00 64.43 H new ATOM 0 HD12 LEU A 13 14.047 8.242 5.714 1.00 64.43 H new ATOM 0 HD13 LEU A 13 13.375 7.362 7.107 1.00 64.43 H new ATOM 0 HD21 LEU A 13 11.485 5.585 5.445 1.00 20.34 H new ATOM 0 HD22 LEU A 13 10.995 6.425 6.935 1.00 20.34 H new ATOM 0 HD23 LEU A 13 10.085 6.683 5.427 1.00 20.34 H new ATOM 195 N THR A 14 8.752 9.868 6.636 1.00 24.25 N ATOM 196 CA THR A 14 7.681 10.473 7.417 1.00 0.41 C ATOM 197 C THR A 14 7.733 10.016 8.870 1.00 23.12 C ATOM 198 O THR A 14 7.967 8.842 9.154 1.00 73.34 O ATOM 199 CB THR A 14 6.298 10.131 6.832 1.00 14.25 C ATOM 200 OG1 THR A 14 6.236 8.739 6.502 1.00 12.25 O ATOM 201 CG2 THR A 14 6.013 10.965 5.592 1.00 20.21 C ATOM 0 H THR A 14 8.841 8.859 6.753 1.00 24.25 H new ATOM 0 HA THR A 14 7.829 11.552 7.374 1.00 0.41 H new ATOM 0 HB THR A 14 5.543 10.359 7.585 1.00 14.25 H new ATOM 0 HG1 THR A 14 5.353 8.529 6.132 1.00 12.25 H new ATOM 0 HG21 THR A 14 5.031 10.706 5.197 1.00 20.21 H new ATOM 0 HG22 THR A 14 6.031 12.023 5.853 1.00 20.21 H new ATOM 0 HG23 THR A 14 6.773 10.765 4.836 1.00 20.21 H new ATOM 209 N GLY A 15 7.514 10.952 9.789 1.00 74.21 N ATOM 210 CA GLY A 15 7.540 10.624 11.202 1.00 14.25 C ATOM 211 C GLY A 15 6.375 11.231 11.960 1.00 44.42 C ATOM 212 O GLY A 15 6.571 11.978 12.918 1.00 63.12 O ATOM 0 H GLY A 15 7.319 11.931 9.580 1.00 74.21 H new ATOM 0 HA2 GLY A 15 7.522 9.541 11.321 1.00 14.25 H new ATOM 0 HA3 GLY A 15 8.475 10.977 11.637 1.00 14.25 H new ATOM 216 N ASN A 16 5.160 10.912 11.528 1.00 34.13 N ATOM 217 CA ASN A 16 3.959 11.433 12.171 1.00 12.33 C ATOM 218 C ASN A 16 3.694 10.717 13.492 1.00 22.01 C ATOM 219 O ASN A 16 3.857 9.501 13.595 1.00 22.04 O ATOM 220 CB ASN A 16 2.751 11.280 11.244 1.00 3.23 C ATOM 221 CG ASN A 16 2.925 12.033 9.939 1.00 11.14 C ATOM 222 OD1 ASN A 16 2.591 13.214 9.842 1.00 3.22 O ATOM 223 ND2 ASN A 16 3.449 11.351 8.928 1.00 23.20 N ATOM 0 H ASN A 16 4.981 10.295 10.736 1.00 34.13 H new ATOM 0 HA ASN A 16 4.118 12.491 12.378 1.00 12.33 H new ATOM 0 HB2 ASN A 16 2.591 10.223 11.032 1.00 3.23 H new ATOM 0 HB3 ASN A 16 1.858 11.642 11.753 1.00 3.23 H new ATOM 0 HD21 ASN A 16 3.589 11.805 8.025 1.00 23.20 H new ATOM 0 HD22 ASN A 16 3.711 10.373 9.054 1.00 23.20 H new ATOM 230 N LYS A 17 3.284 11.479 14.500 1.00 4.13 N ATOM 231 CA LYS A 17 2.995 10.919 15.815 1.00 73.21 C ATOM 232 C LYS A 17 2.052 9.725 15.702 1.00 70.01 C ATOM 233 O LYS A 17 2.070 8.826 16.541 1.00 30.23 O ATOM 234 CB LYS A 17 2.377 11.986 16.722 1.00 62.41 C ATOM 235 CG LYS A 17 1.319 12.831 16.034 1.00 61.31 C ATOM 236 CD LYS A 17 1.859 14.200 15.655 1.00 75.32 C ATOM 237 CE LYS A 17 0.861 15.301 15.980 1.00 4.21 C ATOM 238 NZ LYS A 17 -0.484 15.019 15.407 1.00 22.31 N ATOM 0 H LYS A 17 3.144 12.487 14.431 1.00 4.13 H new ATOM 0 HA LYS A 17 3.934 10.579 16.252 1.00 73.21 H new ATOM 0 HB2 LYS A 17 1.933 11.500 17.591 1.00 62.41 H new ATOM 0 HB3 LYS A 17 3.168 12.639 17.092 1.00 62.41 H new ATOM 0 HG2 LYS A 17 0.967 12.317 15.139 1.00 61.31 H new ATOM 0 HG3 LYS A 17 0.459 12.948 16.694 1.00 61.31 H new ATOM 0 HD2 LYS A 17 2.792 14.384 16.187 1.00 75.32 H new ATOM 0 HD3 LYS A 17 2.090 14.219 14.590 1.00 75.32 H new ATOM 0 HE2 LYS A 17 0.779 15.409 17.062 1.00 4.21 H new ATOM 0 HE3 LYS A 17 1.229 16.251 15.592 1.00 4.21 H new ATOM 0 HZ1 LYS A 17 -0.997 15.913 15.268 1.00 22.31 H new ATOM 0 HZ2 LYS A 17 -0.377 14.535 14.493 1.00 22.31 H new ATOM 0 HZ3 LYS A 17 -1.019 14.411 16.060 1.00 22.31 H new ATOM 252 N GLY A 18 1.230 9.723 14.657 1.00 73.40 N ATOM 253 CA GLY A 18 0.292 8.634 14.453 1.00 65.50 C ATOM 254 C GLY A 18 0.658 7.769 13.263 1.00 65.11 C ATOM 255 O GLY A 18 0.902 6.571 13.409 1.00 52.13 O ATOM 0 H GLY A 18 1.197 10.456 13.948 1.00 73.40 H new ATOM 0 HA2 GLY A 18 0.257 8.016 15.350 1.00 65.50 H new ATOM 0 HA3 GLY A 18 -0.708 9.042 14.308 1.00 65.50 H new ATOM 259 N SER A 19 0.696 8.376 12.081 1.00 2.43 N ATOM 260 CA SER A 19 1.030 7.653 10.860 1.00 34.20 C ATOM 261 C SER A 19 2.404 6.999 10.974 1.00 55.22 C ATOM 262 O SER A 19 3.335 7.582 11.527 1.00 44.01 O ATOM 263 CB SER A 19 1.000 8.598 9.658 1.00 41.34 C ATOM 264 OG SER A 19 -0.152 8.377 8.863 1.00 14.22 O ATOM 0 H SER A 19 0.499 9.367 11.943 1.00 2.43 H new ATOM 0 HA SER A 19 0.285 6.870 10.716 1.00 34.20 H new ATOM 0 HB2 SER A 19 1.014 9.632 10.004 1.00 41.34 H new ATOM 0 HB3 SER A 19 1.896 8.452 9.054 1.00 41.34 H new ATOM 0 HG SER A 19 -0.148 8.995 8.102 1.00 14.22 H new ATOM 270 N GLU A 20 2.520 5.785 10.446 1.00 73.32 N ATOM 271 CA GLU A 20 3.779 5.051 10.489 1.00 42.12 C ATOM 272 C GLU A 20 4.076 4.399 9.141 1.00 15.41 C ATOM 273 O GLU A 20 3.226 4.375 8.250 1.00 30.05 O ATOM 274 CB GLU A 20 3.737 3.984 11.585 1.00 15.51 C ATOM 275 CG GLU A 20 3.323 4.524 12.944 1.00 51.32 C ATOM 276 CD GLU A 20 4.172 5.699 13.388 1.00 43.20 C ATOM 277 OE1 GLU A 20 5.321 5.814 12.912 1.00 62.54 O ATOM 278 OE2 GLU A 20 3.689 6.504 14.211 1.00 20.25 O ATOM 0 H GLU A 20 1.758 5.289 9.984 1.00 73.32 H new ATOM 0 HA GLU A 20 4.575 5.761 10.713 1.00 42.12 H new ATOM 0 HB2 GLU A 20 3.042 3.198 11.289 1.00 15.51 H new ATOM 0 HB3 GLU A 20 4.721 3.524 11.671 1.00 15.51 H new ATOM 0 HG2 GLU A 20 2.277 4.830 12.906 1.00 51.32 H new ATOM 0 HG3 GLU A 20 3.396 3.728 13.685 1.00 51.32 H new ATOM 285 N VAL A 21 5.288 3.873 8.999 1.00 74.50 N ATOM 286 CA VAL A 21 5.697 3.220 7.761 1.00 2.11 C ATOM 287 C VAL A 21 6.530 1.975 8.046 1.00 75.24 C ATOM 288 O VAL A 21 7.379 1.973 8.937 1.00 43.15 O ATOM 289 CB VAL A 21 6.510 4.174 6.866 1.00 3.22 C ATOM 290 CG1 VAL A 21 5.646 4.715 5.737 1.00 33.54 C ATOM 291 CG2 VAL A 21 7.095 5.310 7.692 1.00 14.31 C ATOM 0 H VAL A 21 6.004 3.886 9.726 1.00 74.50 H new ATOM 0 HA VAL A 21 4.785 2.932 7.238 1.00 2.11 H new ATOM 0 HB VAL A 21 7.334 3.615 6.424 1.00 3.22 H new ATOM 0 HG11 VAL A 21 6.238 5.387 5.116 1.00 33.54 H new ATOM 0 HG12 VAL A 21 5.280 3.887 5.130 1.00 33.54 H new ATOM 0 HG13 VAL A 21 4.799 5.259 6.155 1.00 33.54 H new ATOM 0 HG21 VAL A 21 7.666 5.974 7.044 1.00 14.31 H new ATOM 0 HG22 VAL A 21 6.288 5.870 8.164 1.00 14.31 H new ATOM 0 HG23 VAL A 21 7.751 4.901 8.461 1.00 14.31 H new ATOM 301 N PHE A 22 6.280 0.916 7.282 1.00 10.03 N ATOM 302 CA PHE A 22 7.006 -0.337 7.452 1.00 21.12 C ATOM 303 C PHE A 22 7.397 -0.927 6.100 1.00 4.43 C ATOM 304 O PHE A 22 6.662 -0.804 5.121 1.00 54.32 O ATOM 305 CB PHE A 22 6.156 -1.342 8.233 1.00 41.14 C ATOM 306 CG PHE A 22 4.835 -1.641 7.584 1.00 60.24 C ATOM 307 CD1 PHE A 22 3.764 -0.774 7.730 1.00 61.42 C ATOM 308 CD2 PHE A 22 4.664 -2.790 6.828 1.00 41.23 C ATOM 309 CE1 PHE A 22 2.547 -1.047 7.134 1.00 42.44 C ATOM 310 CE2 PHE A 22 3.450 -3.067 6.229 1.00 73.11 C ATOM 311 CZ PHE A 22 2.390 -2.195 6.383 1.00 73.10 C ATOM 0 H PHE A 22 5.581 0.901 6.540 1.00 10.03 H new ATOM 0 HA PHE A 22 7.916 -0.127 8.014 1.00 21.12 H new ATOM 0 HB2 PHE A 22 6.716 -2.271 8.344 1.00 41.14 H new ATOM 0 HB3 PHE A 22 5.980 -0.954 9.236 1.00 41.14 H new ATOM 0 HD1 PHE A 22 3.881 0.125 8.316 1.00 61.42 H new ATOM 0 HD2 PHE A 22 5.489 -3.476 6.706 1.00 41.23 H new ATOM 0 HE1 PHE A 22 1.720 -0.363 7.256 1.00 42.44 H new ATOM 0 HE2 PHE A 22 3.330 -3.965 5.641 1.00 73.11 H new ATOM 0 HZ PHE A 22 1.440 -2.411 5.917 1.00 73.10 H new ATOM 321 N TYR A 23 8.561 -1.566 6.055 1.00 32.11 N ATOM 322 CA TYR A 23 9.052 -2.172 4.824 1.00 64.35 C ATOM 323 C TYR A 23 9.756 -3.495 5.111 1.00 72.44 C ATOM 324 O TYR A 23 10.083 -3.803 6.257 1.00 21.22 O ATOM 325 CB TYR A 23 10.009 -1.218 4.107 1.00 5.03 C ATOM 326 CG TYR A 23 9.597 0.234 4.197 1.00 32.21 C ATOM 327 CD1 TYR A 23 8.505 0.712 3.484 1.00 75.43 C ATOM 328 CD2 TYR A 23 10.299 1.128 4.997 1.00 71.45 C ATOM 329 CE1 TYR A 23 8.125 2.037 3.562 1.00 14.43 C ATOM 330 CE2 TYR A 23 9.925 2.455 5.082 1.00 22.14 C ATOM 331 CZ TYR A 23 8.838 2.905 4.363 1.00 32.00 C ATOM 332 OH TYR A 23 8.462 4.226 4.445 1.00 14.11 O ATOM 0 H TYR A 23 9.182 -1.677 6.857 1.00 32.11 H new ATOM 0 HA TYR A 23 8.195 -2.369 4.180 1.00 64.35 H new ATOM 0 HB2 TYR A 23 11.007 -1.331 4.531 1.00 5.03 H new ATOM 0 HB3 TYR A 23 10.075 -1.504 3.057 1.00 5.03 H new ATOM 0 HD1 TYR A 23 7.943 0.035 2.857 1.00 75.43 H new ATOM 0 HD2 TYR A 23 11.151 0.779 5.562 1.00 71.45 H new ATOM 0 HE1 TYR A 23 7.274 2.392 2.999 1.00 14.43 H new ATOM 0 HE2 TYR A 23 10.481 3.137 5.708 1.00 22.14 H new ATOM 0 HH TYR A 23 9.067 4.701 5.052 1.00 14.11 H new ATOM 342 N THR A 24 9.986 -4.276 4.059 1.00 4.22 N ATOM 343 CA THR A 24 10.650 -5.566 4.196 1.00 21.01 C ATOM 344 C THR A 24 11.512 -5.873 2.977 1.00 72.23 C ATOM 345 O THR A 24 11.137 -5.565 1.845 1.00 14.33 O ATOM 346 CB THR A 24 9.631 -6.704 4.390 1.00 32.41 C ATOM 347 OG1 THR A 24 8.782 -6.417 5.507 1.00 50.10 O ATOM 348 CG2 THR A 24 10.339 -8.032 4.613 1.00 34.42 C ATOM 0 H THR A 24 9.722 -4.037 3.103 1.00 4.22 H new ATOM 0 HA THR A 24 11.285 -5.502 5.080 1.00 21.01 H new ATOM 0 HB THR A 24 9.027 -6.779 3.486 1.00 32.41 H new ATOM 0 HG1 THR A 24 8.963 -7.056 6.228 1.00 50.10 H new ATOM 0 HG21 THR A 24 9.599 -8.821 4.748 1.00 34.42 H new ATOM 0 HG22 THR A 24 10.962 -8.262 3.748 1.00 34.42 H new ATOM 0 HG23 THR A 24 10.965 -7.966 5.503 1.00 34.42 H new ATOM 356 N PHE A 25 12.668 -6.483 3.214 1.00 64.13 N ATOM 357 CA PHE A 25 13.584 -6.832 2.134 1.00 41.03 C ATOM 358 C PHE A 25 14.566 -7.912 2.580 1.00 15.33 C ATOM 359 O PHE A 25 14.743 -8.151 3.775 1.00 2.53 O ATOM 360 CB PHE A 25 14.350 -5.593 1.665 1.00 11.25 C ATOM 361 CG PHE A 25 14.714 -5.628 0.209 1.00 71.13 C ATOM 362 CD1 PHE A 25 13.830 -5.163 -0.751 1.00 51.33 C ATOM 363 CD2 PHE A 25 15.940 -6.127 -0.201 1.00 20.14 C ATOM 364 CE1 PHE A 25 14.162 -5.193 -2.093 1.00 31.32 C ATOM 365 CE2 PHE A 25 16.278 -6.160 -1.540 1.00 53.24 C ATOM 366 CZ PHE A 25 15.387 -5.694 -2.488 1.00 1.43 C ATOM 0 H PHE A 25 12.993 -6.746 4.144 1.00 64.13 H new ATOM 0 HA PHE A 25 12.995 -7.222 1.304 1.00 41.03 H new ATOM 0 HB2 PHE A 25 13.745 -4.707 1.859 1.00 11.25 H new ATOM 0 HB3 PHE A 25 15.260 -5.493 2.256 1.00 11.25 H new ATOM 0 HD1 PHE A 25 12.870 -4.772 -0.448 1.00 51.33 H new ATOM 0 HD2 PHE A 25 16.640 -6.495 0.535 1.00 20.14 H new ATOM 0 HE1 PHE A 25 13.465 -4.825 -2.831 1.00 31.32 H new ATOM 0 HE2 PHE A 25 17.238 -6.550 -1.846 1.00 53.24 H new ATOM 0 HZ PHE A 25 15.648 -5.722 -3.536 1.00 1.43 H new ATOM 376 N THR A 26 15.201 -8.563 1.611 1.00 2.20 N ATOM 377 CA THR A 26 16.163 -9.618 1.902 1.00 22.15 C ATOM 378 C THR A 26 17.478 -9.382 1.167 1.00 34.43 C ATOM 379 O THR A 26 17.571 -8.506 0.308 1.00 43.11 O ATOM 380 CB THR A 26 15.612 -11.003 1.514 1.00 23.35 C ATOM 381 OG1 THR A 26 15.630 -11.156 0.091 1.00 71.32 O ATOM 382 CG2 THR A 26 14.193 -11.186 2.032 1.00 43.44 C ATOM 0 H THR A 26 15.066 -8.378 0.617 1.00 2.20 H new ATOM 0 HA THR A 26 16.342 -9.595 2.977 1.00 22.15 H new ATOM 0 HB THR A 26 16.248 -11.763 1.968 1.00 23.35 H new ATOM 0 HG1 THR A 26 15.280 -12.040 -0.147 1.00 71.32 H new ATOM 0 HG21 THR A 26 13.825 -12.171 1.746 1.00 43.44 H new ATOM 0 HG22 THR A 26 14.188 -11.099 3.118 1.00 43.44 H new ATOM 0 HG23 THR A 26 13.548 -10.419 1.603 1.00 43.44 H new ATOM 390 N VAL A 27 18.492 -10.171 1.510 1.00 54.33 N ATOM 391 CA VAL A 27 19.801 -10.049 0.880 1.00 1.24 C ATOM 392 C VAL A 27 20.074 -11.223 -0.052 1.00 60.34 C ATOM 393 O VAL A 27 19.300 -12.179 -0.106 1.00 63.43 O ATOM 394 CB VAL A 27 20.924 -9.971 1.932 1.00 50.22 C ATOM 395 CG1 VAL A 27 20.865 -8.647 2.679 1.00 32.43 C ATOM 396 CG2 VAL A 27 20.832 -11.143 2.897 1.00 15.44 C ATOM 0 H VAL A 27 18.432 -10.901 2.220 1.00 54.33 H new ATOM 0 HA VAL A 27 19.789 -9.125 0.302 1.00 1.24 H new ATOM 0 HB VAL A 27 21.884 -10.028 1.419 1.00 50.22 H new ATOM 0 HG11 VAL A 27 21.666 -8.610 3.418 1.00 32.43 H new ATOM 0 HG12 VAL A 27 20.985 -7.825 1.973 1.00 32.43 H new ATOM 0 HG13 VAL A 27 19.902 -8.556 3.182 1.00 32.43 H new ATOM 0 HG21 VAL A 27 21.633 -11.072 3.633 1.00 15.44 H new ATOM 0 HG22 VAL A 27 19.868 -11.121 3.406 1.00 15.44 H new ATOM 0 HG23 VAL A 27 20.929 -12.078 2.345 1.00 15.44 H new ATOM 406 N ASP A 28 21.179 -11.145 -0.785 1.00 62.03 N ATOM 407 CA ASP A 28 21.556 -12.203 -1.716 1.00 1.31 C ATOM 408 C ASP A 28 22.790 -12.949 -1.219 1.00 64.03 C ATOM 409 O ASP A 28 22.750 -14.160 -1.002 1.00 60.25 O ATOM 410 CB ASP A 28 21.822 -11.619 -3.104 1.00 41.13 C ATOM 411 CG ASP A 28 20.547 -11.400 -3.894 1.00 52.32 C ATOM 412 OD1 ASP A 28 19.454 -11.520 -3.302 1.00 54.11 O ATOM 413 OD2 ASP A 28 20.642 -11.107 -5.104 1.00 72.13 O ATOM 0 H ASP A 28 21.830 -10.360 -0.753 1.00 62.03 H new ATOM 0 HA ASP A 28 20.728 -12.909 -1.780 1.00 1.31 H new ATOM 0 HB2 ASP A 28 22.350 -10.671 -3.001 1.00 41.13 H new ATOM 0 HB3 ASP A 28 22.478 -12.290 -3.658 1.00 41.13 H new ATOM 418 N ARG A 29 23.886 -12.218 -1.042 1.00 62.14 N ATOM 419 CA ARG A 29 25.133 -12.811 -0.574 1.00 32.32 C ATOM 420 C ARG A 29 25.689 -12.037 0.617 1.00 4.13 C ATOM 421 O ARG A 29 25.626 -10.809 0.656 1.00 15.03 O ATOM 422 CB ARG A 29 26.164 -12.841 -1.703 1.00 62.51 C ATOM 423 CG ARG A 29 26.881 -11.517 -1.909 1.00 22.13 C ATOM 424 CD ARG A 29 25.914 -10.418 -2.318 1.00 12.52 C ATOM 425 NE ARG A 29 26.530 -9.457 -3.229 1.00 64.10 N ATOM 426 CZ ARG A 29 25.978 -8.294 -3.555 1.00 12.01 C ATOM 427 NH1 ARG A 29 24.803 -7.949 -3.046 1.00 42.41 N ATOM 428 NH2 ARG A 29 26.601 -7.473 -4.391 1.00 33.20 N ATOM 0 H ARG A 29 23.936 -11.214 -1.216 1.00 62.14 H new ATOM 0 HA ARG A 29 24.924 -13.832 -0.256 1.00 32.32 H new ATOM 0 HB2 ARG A 29 26.902 -13.614 -1.489 1.00 62.51 H new ATOM 0 HB3 ARG A 29 25.666 -13.123 -2.631 1.00 62.51 H new ATOM 0 HG2 ARG A 29 27.391 -11.231 -0.989 1.00 22.13 H new ATOM 0 HG3 ARG A 29 27.648 -11.632 -2.675 1.00 22.13 H new ATOM 0 HD2 ARG A 29 25.041 -10.863 -2.796 1.00 12.52 H new ATOM 0 HD3 ARG A 29 25.559 -9.898 -1.428 1.00 12.52 H new ATOM 0 HE ARG A 29 27.435 -9.692 -3.638 1.00 64.10 H new ATOM 0 HH11 ARG A 29 24.322 -8.577 -2.403 1.00 42.41 H new ATOM 0 HH12 ARG A 29 24.381 -7.055 -3.298 1.00 42.41 H new ATOM 0 HH21 ARG A 29 27.505 -7.735 -4.784 1.00 33.20 H new ATOM 0 HH22 ARG A 29 26.176 -6.580 -4.641 1.00 33.20 H new ATOM 442 N ASN A 30 26.235 -12.764 1.587 1.00 35.20 N ATOM 443 CA ASN A 30 26.801 -12.146 2.780 1.00 43.31 C ATOM 444 C ASN A 30 27.763 -11.022 2.405 1.00 22.24 C ATOM 445 O ASN A 30 28.762 -11.248 1.723 1.00 73.25 O ATOM 446 CB ASN A 30 27.527 -13.193 3.627 1.00 45.13 C ATOM 447 CG ASN A 30 28.300 -14.187 2.780 1.00 15.44 C ATOM 448 OD1 ASN A 30 27.836 -15.431 2.758 1.00 72.40 O flip ATOM 449 ND2 ASN A 30 29.301 -13.839 2.154 1.00 13.33 N flip ATOM 0 H ASN A 30 26.297 -13.782 1.570 1.00 35.20 H new ATOM 0 HA ASN A 30 25.983 -11.722 3.362 1.00 43.31 H new ATOM 0 HB2 ASN A 30 28.212 -12.692 4.311 1.00 45.13 H new ATOM 0 HB3 ASN A 30 26.801 -13.728 4.239 1.00 45.13 H new ATOM 0 HD21 ASN A 30 29.621 -12.872 2.201 1.00 13.33 H new ATOM 0 HD22 ASN A 30 29.810 -14.518 1.588 1.00 13.33 H new ATOM 456 N ALA A 31 27.455 -9.811 2.858 1.00 20.30 N ATOM 457 CA ALA A 31 28.293 -8.653 2.573 1.00 31.11 C ATOM 458 C ALA A 31 28.421 -7.754 3.798 1.00 43.21 C ATOM 459 O ALA A 31 27.424 -7.388 4.421 1.00 73.33 O ATOM 460 CB ALA A 31 27.728 -7.870 1.397 1.00 2.44 C ATOM 0 H ALA A 31 26.631 -9.607 3.424 1.00 20.30 H new ATOM 0 HA ALA A 31 29.289 -9.011 2.312 1.00 31.11 H new ATOM 0 HB1 ALA A 31 28.364 -7.008 1.195 1.00 2.44 H new ATOM 0 HB2 ALA A 31 27.695 -8.511 0.516 1.00 2.44 H new ATOM 0 HB3 ALA A 31 26.721 -7.530 1.637 1.00 2.44 H new ATOM 466 N THR A 32 29.656 -7.400 4.140 1.00 44.02 N ATOM 467 CA THR A 32 29.915 -6.545 5.291 1.00 24.03 C ATOM 468 C THR A 32 30.018 -5.081 4.877 1.00 20.55 C ATOM 469 O THR A 32 31.011 -4.663 4.284 1.00 44.21 O ATOM 470 CB THR A 32 31.212 -6.954 6.015 1.00 63.44 C ATOM 471 OG1 THR A 32 31.208 -8.364 6.268 1.00 41.31 O ATOM 472 CG2 THR A 32 31.362 -6.199 7.326 1.00 1.33 C ATOM 0 H THR A 32 30.493 -7.693 3.636 1.00 44.02 H new ATOM 0 HA THR A 32 29.073 -6.669 5.972 1.00 24.03 H new ATOM 0 HB THR A 32 32.055 -6.703 5.372 1.00 63.44 H new ATOM 0 HG1 THR A 32 32.036 -8.616 6.727 1.00 41.31 H new ATOM 0 HG21 THR A 32 32.285 -6.505 7.819 1.00 1.33 H new ATOM 0 HG22 THR A 32 31.395 -5.128 7.127 1.00 1.33 H new ATOM 0 HG23 THR A 32 30.514 -6.422 7.974 1.00 1.33 H new ATOM 480 N ALA A 33 28.985 -4.308 5.195 1.00 3.33 N ATOM 481 CA ALA A 33 28.961 -2.890 4.859 1.00 41.34 C ATOM 482 C ALA A 33 28.343 -2.068 5.985 1.00 72.51 C ATOM 483 O ALA A 33 27.496 -2.559 6.731 1.00 14.15 O ATOM 484 CB ALA A 33 28.198 -2.668 3.561 1.00 20.30 C ATOM 0 H ALA A 33 28.154 -4.640 5.685 1.00 3.33 H new ATOM 0 HA ALA A 33 29.990 -2.557 4.725 1.00 41.34 H new ATOM 0 HB1 ALA A 33 28.188 -1.605 3.322 1.00 20.30 H new ATOM 0 HB2 ALA A 33 28.685 -3.216 2.755 1.00 20.30 H new ATOM 0 HB3 ALA A 33 27.174 -3.024 3.675 1.00 20.30 H new ATOM 490 N VAL A 34 28.772 -0.816 6.103 1.00 42.05 N ATOM 491 CA VAL A 34 28.260 0.074 7.138 1.00 63.30 C ATOM 492 C VAL A 34 27.271 1.079 6.559 1.00 31.30 C ATOM 493 O VAL A 34 27.646 1.961 5.786 1.00 33.23 O ATOM 494 CB VAL A 34 29.401 0.837 7.836 1.00 2.15 C ATOM 495 CG1 VAL A 34 30.293 1.520 6.811 1.00 62.10 C ATOM 496 CG2 VAL A 34 28.839 1.849 8.824 1.00 73.43 C ATOM 0 H VAL A 34 29.473 -0.395 5.494 1.00 42.05 H new ATOM 0 HA VAL A 34 27.750 -0.552 7.870 1.00 63.30 H new ATOM 0 HB VAL A 34 30.008 0.120 8.390 1.00 2.15 H new ATOM 0 HG11 VAL A 34 31.093 2.054 7.323 1.00 62.10 H new ATOM 0 HG12 VAL A 34 30.724 0.771 6.147 1.00 62.10 H new ATOM 0 HG13 VAL A 34 29.702 2.226 6.227 1.00 62.10 H new ATOM 0 HG21 VAL A 34 29.659 2.379 9.308 1.00 73.43 H new ATOM 0 HG22 VAL A 34 28.208 2.563 8.294 1.00 73.43 H new ATOM 0 HG23 VAL A 34 28.247 1.331 9.578 1.00 73.43 H new ATOM 506 N VAL A 35 26.004 0.940 6.938 1.00 24.13 N ATOM 507 CA VAL A 35 24.960 1.837 6.458 1.00 31.23 C ATOM 508 C VAL A 35 24.172 2.433 7.619 1.00 54.20 C ATOM 509 O VAL A 35 23.898 1.756 8.610 1.00 53.13 O ATOM 510 CB VAL A 35 23.987 1.109 5.511 1.00 0.44 C ATOM 511 CG1 VAL A 35 23.134 2.112 4.749 1.00 32.32 C ATOM 512 CG2 VAL A 35 24.751 0.209 4.552 1.00 31.24 C ATOM 0 H VAL A 35 25.676 0.215 7.576 1.00 24.13 H new ATOM 0 HA VAL A 35 25.457 2.638 5.911 1.00 31.23 H new ATOM 0 HB VAL A 35 23.324 0.484 6.109 1.00 0.44 H new ATOM 0 HG11 VAL A 35 22.453 1.580 4.085 1.00 32.32 H new ATOM 0 HG12 VAL A 35 22.559 2.711 5.455 1.00 32.32 H new ATOM 0 HG13 VAL A 35 23.779 2.765 4.160 1.00 32.32 H new ATOM 0 HG21 VAL A 35 24.048 -0.297 3.890 1.00 31.24 H new ATOM 0 HG22 VAL A 35 25.439 0.811 3.958 1.00 31.24 H new ATOM 0 HG23 VAL A 35 25.314 -0.532 5.119 1.00 31.24 H new ATOM 522 N SER A 36 23.809 3.705 7.489 1.00 10.40 N ATOM 523 CA SER A 36 23.054 4.395 8.529 1.00 43.12 C ATOM 524 C SER A 36 22.021 5.336 7.917 1.00 43.34 C ATOM 525 O SER A 36 22.009 5.559 6.705 1.00 21.45 O ATOM 526 CB SER A 36 24.000 5.181 9.439 1.00 23.52 C ATOM 527 OG SER A 36 24.285 6.458 8.897 1.00 5.53 O ATOM 0 H SER A 36 24.025 4.279 6.674 1.00 10.40 H new ATOM 0 HA SER A 36 22.531 3.645 9.122 1.00 43.12 H new ATOM 0 HB2 SER A 36 23.551 5.293 10.426 1.00 23.52 H new ATOM 0 HB3 SER A 36 24.927 4.624 9.573 1.00 23.52 H new ATOM 0 HG SER A 36 24.890 6.941 9.498 1.00 5.53 H new ATOM 533 N ILE A 37 21.156 5.886 8.762 1.00 24.13 N ATOM 534 CA ILE A 37 20.120 6.804 8.306 1.00 62.34 C ATOM 535 C ILE A 37 20.440 8.239 8.711 1.00 74.24 C ATOM 536 O ILE A 37 21.210 8.475 9.641 1.00 43.22 O ATOM 537 CB ILE A 37 18.739 6.419 8.868 1.00 22.32 C ATOM 538 CG1 ILE A 37 18.664 6.743 10.362 1.00 63.33 C ATOM 539 CG2 ILE A 37 18.462 4.943 8.626 1.00 34.53 C ATOM 540 CD1 ILE A 37 17.459 6.142 11.051 1.00 63.43 C ATOM 0 H ILE A 37 21.152 5.712 9.767 1.00 24.13 H new ATOM 0 HA ILE A 37 20.092 6.734 7.219 1.00 62.34 H new ATOM 0 HB ILE A 37 17.977 7.001 8.350 1.00 22.32 H new ATOM 0 HG12 ILE A 37 19.569 6.381 10.850 1.00 63.33 H new ATOM 0 HG13 ILE A 37 18.643 7.825 10.490 1.00 63.33 H new ATOM 0 HG21 ILE A 37 17.482 4.686 9.029 1.00 34.53 H new ATOM 0 HG22 ILE A 37 18.479 4.740 7.555 1.00 34.53 H new ATOM 0 HG23 ILE A 37 19.226 4.344 9.121 1.00 34.53 H new ATOM 0 HD11 ILE A 37 17.471 6.413 12.107 1.00 63.43 H new ATOM 0 HD12 ILE A 37 16.548 6.523 10.589 1.00 63.43 H new ATOM 0 HD13 ILE A 37 17.488 5.057 10.954 1.00 63.43 H new ATOM 552 N SER A 38 19.840 9.194 8.007 1.00 63.24 N ATOM 553 CA SER A 38 20.062 10.607 8.291 1.00 22.33 C ATOM 554 C SER A 38 19.343 11.486 7.272 1.00 20.54 C ATOM 555 O SER A 38 18.911 11.012 6.223 1.00 73.24 O ATOM 556 CB SER A 38 21.559 10.921 8.286 1.00 65.20 C ATOM 557 OG SER A 38 21.897 11.777 7.209 1.00 41.15 O ATOM 0 H SER A 38 19.197 9.015 7.236 1.00 63.24 H new ATOM 0 HA SER A 38 19.656 10.821 9.280 1.00 22.33 H new ATOM 0 HB2 SER A 38 21.838 11.390 9.229 1.00 65.20 H new ATOM 0 HB3 SER A 38 22.128 9.994 8.210 1.00 65.20 H new ATOM 0 HG SER A 38 22.859 11.964 7.229 1.00 41.15 H new ATOM 563 N GLY A 39 19.219 12.770 7.591 1.00 11.43 N ATOM 564 CA GLY A 39 18.552 13.696 6.695 1.00 53.23 C ATOM 565 C GLY A 39 18.287 15.041 7.342 1.00 51.01 C ATOM 566 O GLY A 39 19.098 15.960 7.236 1.00 64.44 O ATOM 0 H GLY A 39 19.569 13.186 8.454 1.00 11.43 H new ATOM 0 HA2 GLY A 39 19.164 13.839 5.804 1.00 53.23 H new ATOM 0 HA3 GLY A 39 17.608 13.262 6.367 1.00 53.23 H new ATOM 595 N ASP A 43 13.219 12.272 14.282 1.00 71.11 N ATOM 596 CA ASP A 43 11.783 12.028 14.208 1.00 10.11 C ATOM 597 C ASP A 43 11.497 10.613 13.716 1.00 33.34 C ATOM 598 O ASP A 43 10.568 9.957 14.188 1.00 50.32 O ATOM 599 CB ASP A 43 11.118 13.047 13.282 1.00 51.41 C ATOM 600 CG ASP A 43 9.787 13.536 13.819 1.00 20.11 C ATOM 601 OD1 ASP A 43 8.851 12.715 13.923 1.00 42.14 O ATOM 602 OD2 ASP A 43 9.681 14.739 14.137 1.00 65.22 O ATOM 0 HA ASP A 43 11.369 12.135 15.211 1.00 10.11 H new ATOM 0 HB2 ASP A 43 11.785 13.898 13.144 1.00 51.41 H new ATOM 0 HB3 ASP A 43 10.967 12.597 12.301 1.00 51.41 H new ATOM 607 N ALA A 44 12.300 10.148 12.765 1.00 4.33 N ATOM 608 CA ALA A 44 12.134 8.811 12.210 1.00 20.34 C ATOM 609 C ALA A 44 13.016 7.801 12.937 1.00 44.31 C ATOM 610 O ALA A 44 14.242 7.843 12.829 1.00 21.10 O ATOM 611 CB ALA A 44 12.448 8.814 10.722 1.00 43.13 C ATOM 0 H ALA A 44 13.073 10.678 12.363 1.00 4.33 H new ATOM 0 HA ALA A 44 11.095 8.513 12.350 1.00 20.34 H new ATOM 0 HB1 ALA A 44 12.320 7.809 10.321 1.00 43.13 H new ATOM 0 HB2 ALA A 44 11.772 9.498 10.209 1.00 43.13 H new ATOM 0 HB3 ALA A 44 13.477 9.137 10.568 1.00 43.13 H new ATOM 617 N ASP A 45 12.386 6.896 13.677 1.00 13.20 N ATOM 618 CA ASP A 45 13.114 5.875 14.422 1.00 51.45 C ATOM 619 C ASP A 45 13.524 4.725 13.507 1.00 31.14 C ATOM 620 O ASP A 45 13.012 4.588 12.396 1.00 55.23 O ATOM 621 CB ASP A 45 12.259 5.347 15.574 1.00 12.24 C ATOM 622 CG ASP A 45 12.207 6.309 16.745 1.00 41.31 C ATOM 623 OD1 ASP A 45 13.260 6.529 17.380 1.00 42.35 O ATOM 624 OD2 ASP A 45 11.114 6.843 17.026 1.00 52.02 O ATOM 0 H ASP A 45 11.372 6.848 13.777 1.00 13.20 H new ATOM 0 HA ASP A 45 14.016 6.331 14.830 1.00 51.45 H new ATOM 0 HB2 ASP A 45 11.247 5.161 15.215 1.00 12.24 H new ATOM 0 HB3 ASP A 45 12.659 4.391 15.911 1.00 12.24 H new ATOM 629 N LEU A 46 14.451 3.901 13.982 1.00 22.32 N ATOM 630 CA LEU A 46 14.932 2.762 13.207 1.00 35.34 C ATOM 631 C LEU A 46 14.762 1.462 13.988 1.00 44.13 C ATOM 632 O LEU A 46 15.022 1.410 15.190 1.00 33.22 O ATOM 633 CB LEU A 46 16.402 2.958 12.834 1.00 72.25 C ATOM 634 CG LEU A 46 16.970 1.977 11.807 1.00 52.33 C ATOM 635 CD1 LEU A 46 18.170 2.584 11.097 1.00 63.31 C ATOM 636 CD2 LEU A 46 17.351 0.665 12.476 1.00 34.13 C ATOM 0 H LEU A 46 14.885 4.000 14.900 1.00 22.32 H new ATOM 0 HA LEU A 46 14.338 2.697 12.295 1.00 35.34 H new ATOM 0 HB2 LEU A 46 16.526 3.970 12.448 1.00 72.25 H new ATOM 0 HB3 LEU A 46 16.999 2.888 13.743 1.00 72.25 H new ATOM 0 HG LEU A 46 16.199 1.772 11.064 1.00 52.33 H new ATOM 0 HD11 LEU A 46 18.561 1.872 10.370 1.00 63.31 H new ATOM 0 HD12 LEU A 46 17.866 3.496 10.584 1.00 63.31 H new ATOM 0 HD13 LEU A 46 18.944 2.819 11.827 1.00 63.31 H new ATOM 0 HD21 LEU A 46 17.753 -0.020 11.730 1.00 34.13 H new ATOM 0 HD22 LEU A 46 18.105 0.852 13.241 1.00 34.13 H new ATOM 0 HD23 LEU A 46 16.468 0.222 12.937 1.00 34.13 H new ATOM 648 N TYR A 47 14.328 0.415 13.295 1.00 22.14 N ATOM 649 CA TYR A 47 14.124 -0.885 13.923 1.00 23.23 C ATOM 650 C TYR A 47 14.290 -2.012 12.909 1.00 61.34 C ATOM 651 O TYR A 47 13.751 -1.952 11.802 1.00 24.35 O ATOM 652 CB TYR A 47 12.735 -0.956 14.558 1.00 14.04 C ATOM 653 CG TYR A 47 12.566 -0.041 15.750 1.00 0.31 C ATOM 654 CD1 TYR A 47 12.985 -0.432 17.016 1.00 73.11 C ATOM 655 CD2 TYR A 47 11.987 1.215 15.611 1.00 65.33 C ATOM 656 CE1 TYR A 47 12.832 0.400 18.108 1.00 42.31 C ATOM 657 CE2 TYR A 47 11.832 2.054 16.697 1.00 44.34 C ATOM 658 CZ TYR A 47 12.256 1.643 17.943 1.00 30.40 C ATOM 659 OH TYR A 47 12.102 2.476 19.028 1.00 71.55 O ATOM 0 H TYR A 47 14.111 0.441 12.299 1.00 22.14 H new ATOM 0 HA TYR A 47 14.878 -1.006 14.701 1.00 23.23 H new ATOM 0 HB2 TYR A 47 11.988 -0.701 13.806 1.00 14.04 H new ATOM 0 HB3 TYR A 47 12.538 -1.982 14.868 1.00 14.04 H new ATOM 0 HD1 TYR A 47 13.438 -1.403 17.148 1.00 73.11 H new ATOM 0 HD2 TYR A 47 11.653 1.540 14.637 1.00 65.33 H new ATOM 0 HE1 TYR A 47 13.161 0.079 19.085 1.00 42.31 H new ATOM 0 HE2 TYR A 47 11.381 3.027 16.571 1.00 44.34 H new ATOM 0 HH TYR A 47 11.681 3.313 18.741 1.00 71.55 H new ATOM 669 N LEU A 48 15.039 -3.040 13.293 1.00 33.12 N ATOM 670 CA LEU A 48 15.276 -4.183 12.418 1.00 23.25 C ATOM 671 C LEU A 48 15.217 -5.490 13.202 1.00 20.35 C ATOM 672 O LEU A 48 15.487 -5.520 14.403 1.00 14.44 O ATOM 673 CB LEU A 48 16.636 -4.050 11.730 1.00 55.53 C ATOM 674 CG LEU A 48 16.874 -4.969 10.532 1.00 62.33 C ATOM 675 CD1 LEU A 48 16.646 -4.219 9.229 1.00 41.22 C ATOM 676 CD2 LEU A 48 18.281 -5.549 10.576 1.00 15.03 C ATOM 0 H LEU A 48 15.493 -3.105 14.204 1.00 33.12 H new ATOM 0 HA LEU A 48 14.492 -4.198 11.661 1.00 23.25 H new ATOM 0 HB2 LEU A 48 16.755 -3.018 11.400 1.00 55.53 H new ATOM 0 HB3 LEU A 48 17.415 -4.240 12.469 1.00 55.53 H new ATOM 0 HG LEU A 48 16.161 -5.792 10.583 1.00 62.33 H new ATOM 0 HD11 LEU A 48 16.820 -4.890 8.388 1.00 41.22 H new ATOM 0 HD12 LEU A 48 15.620 -3.853 9.195 1.00 41.22 H new ATOM 0 HD13 LEU A 48 17.334 -3.376 9.169 1.00 41.22 H new ATOM 0 HD21 LEU A 48 18.433 -6.201 9.716 1.00 15.03 H new ATOM 0 HD22 LEU A 48 19.010 -4.739 10.550 1.00 15.03 H new ATOM 0 HD23 LEU A 48 18.409 -6.123 11.493 1.00 15.03 H new ATOM 688 N LYS A 49 14.864 -6.571 12.515 1.00 64.12 N ATOM 689 CA LYS A 49 14.773 -7.883 13.144 1.00 30.04 C ATOM 690 C LYS A 49 14.930 -8.994 12.111 1.00 35.44 C ATOM 691 O LYS A 49 14.501 -8.855 10.966 1.00 35.24 O ATOM 692 CB LYS A 49 13.434 -8.031 13.870 1.00 75.24 C ATOM 693 CG LYS A 49 13.569 -8.507 15.306 1.00 52.42 C ATOM 694 CD LYS A 49 12.385 -9.362 15.724 1.00 73.22 C ATOM 695 CE LYS A 49 12.488 -9.782 17.182 1.00 15.11 C ATOM 696 NZ LYS A 49 13.658 -10.671 17.422 1.00 1.53 N ATOM 0 H LYS A 49 14.636 -6.564 11.521 1.00 64.12 H new ATOM 0 HA LYS A 49 15.583 -7.968 13.868 1.00 30.04 H new ATOM 0 HB2 LYS A 49 12.918 -7.071 13.862 1.00 75.24 H new ATOM 0 HB3 LYS A 49 12.808 -8.734 13.320 1.00 75.24 H new ATOM 0 HG2 LYS A 49 14.489 -9.081 15.415 1.00 52.42 H new ATOM 0 HG3 LYS A 49 13.649 -7.646 15.970 1.00 52.42 H new ATOM 0 HD2 LYS A 49 11.460 -8.806 15.569 1.00 73.22 H new ATOM 0 HD3 LYS A 49 12.334 -10.248 15.092 1.00 73.22 H new ATOM 0 HE2 LYS A 49 12.571 -8.895 17.810 1.00 15.11 H new ATOM 0 HE3 LYS A 49 11.574 -10.297 17.477 1.00 15.11 H new ATOM 0 HZ1 LYS A 49 13.609 -11.057 18.386 1.00 1.53 H new ATOM 0 HZ2 LYS A 49 13.647 -11.452 16.735 1.00 1.53 H new ATOM 0 HZ3 LYS A 49 14.537 -10.126 17.312 1.00 1.53 H new ATOM 710 N ALA A 50 15.545 -10.097 12.524 1.00 22.43 N ATOM 711 CA ALA A 50 15.755 -11.234 11.636 1.00 53.45 C ATOM 712 C ALA A 50 14.558 -12.179 11.662 1.00 43.25 C ATOM 713 O ALA A 50 14.400 -12.970 12.590 1.00 61.20 O ATOM 714 CB ALA A 50 17.025 -11.977 12.020 1.00 44.13 C ATOM 0 H ALA A 50 15.907 -10.228 13.469 1.00 22.43 H new ATOM 0 HA ALA A 50 15.863 -10.854 10.620 1.00 53.45 H new ATOM 0 HB1 ALA A 50 17.169 -12.823 11.348 1.00 44.13 H new ATOM 0 HB2 ALA A 50 17.878 -11.303 11.942 1.00 44.13 H new ATOM 0 HB3 ALA A 50 16.940 -12.338 13.045 1.00 44.13 H new ATOM 720 N GLY A 51 13.717 -12.090 10.636 1.00 41.14 N ATOM 721 CA GLY A 51 12.545 -12.942 10.561 1.00 20.43 C ATOM 722 C GLY A 51 11.257 -12.179 10.795 1.00 13.31 C ATOM 723 O GLY A 51 10.678 -11.624 9.861 1.00 34.31 O ATOM 0 H GLY A 51 13.827 -11.443 9.855 1.00 41.14 H new ATOM 0 HA2 GLY A 51 12.508 -13.419 9.581 1.00 20.43 H new ATOM 0 HA3 GLY A 51 12.631 -13.739 11.300 1.00 20.43 H new ATOM 727 N SER A 52 10.806 -12.151 12.045 1.00 12.41 N ATOM 728 CA SER A 52 9.574 -11.454 12.398 1.00 4.11 C ATOM 729 C SER A 52 9.832 -9.964 12.599 1.00 52.54 C ATOM 730 O SER A 52 10.738 -9.571 13.334 1.00 33.02 O ATOM 731 CB SER A 52 8.970 -12.054 13.669 1.00 61.10 C ATOM 732 OG SER A 52 9.196 -13.452 13.730 1.00 11.22 O ATOM 0 H SER A 52 11.275 -12.603 12.830 1.00 12.41 H new ATOM 0 HA SER A 52 8.868 -11.576 11.576 1.00 4.11 H new ATOM 0 HB2 SER A 52 9.406 -11.573 14.545 1.00 61.10 H new ATOM 0 HB3 SER A 52 7.899 -11.854 13.696 1.00 61.10 H new ATOM 0 HG SER A 52 8.802 -13.811 14.552 1.00 11.22 H new ATOM 738 N LYS A 53 9.028 -9.137 11.938 1.00 10.24 N ATOM 739 CA LYS A 53 9.166 -7.689 12.043 1.00 14.02 C ATOM 740 C LYS A 53 9.344 -7.263 13.497 1.00 73.10 C ATOM 741 O LYS A 53 8.667 -7.755 14.400 1.00 13.53 O ATOM 742 CB LYS A 53 7.940 -6.995 11.444 1.00 44.13 C ATOM 743 CG LYS A 53 6.692 -7.117 12.301 1.00 44.33 C ATOM 744 CD LYS A 53 6.559 -5.947 13.262 1.00 65.23 C ATOM 745 CE LYS A 53 5.606 -4.891 12.725 1.00 13.34 C ATOM 746 NZ LYS A 53 4.257 -4.993 13.349 1.00 4.32 N ATOM 0 H LYS A 53 8.274 -9.445 11.324 1.00 10.24 H new ATOM 0 HA LYS A 53 10.054 -7.392 11.485 1.00 14.02 H new ATOM 0 HB2 LYS A 53 8.167 -5.939 11.296 1.00 44.13 H new ATOM 0 HB3 LYS A 53 7.738 -7.419 10.460 1.00 44.13 H new ATOM 0 HG2 LYS A 53 5.812 -7.164 11.659 1.00 44.33 H new ATOM 0 HG3 LYS A 53 6.726 -8.050 12.864 1.00 44.33 H new ATOM 0 HD2 LYS A 53 6.200 -6.306 14.227 1.00 65.23 H new ATOM 0 HD3 LYS A 53 7.539 -5.501 13.432 1.00 65.23 H new ATOM 0 HE2 LYS A 53 6.019 -3.900 12.913 1.00 13.34 H new ATOM 0 HE3 LYS A 53 5.515 -4.999 11.644 1.00 13.34 H new ATOM 0 HZ1 LYS A 53 3.636 -4.256 12.957 1.00 4.32 H new ATOM 0 HZ2 LYS A 53 3.852 -5.930 13.149 1.00 4.32 H new ATOM 0 HZ3 LYS A 53 4.340 -4.864 14.378 1.00 4.32 H new ATOM 760 N PRO A 54 10.275 -6.326 13.730 1.00 31.43 N ATOM 761 CA PRO A 54 10.562 -5.812 15.073 1.00 73.41 C ATOM 762 C PRO A 54 9.424 -4.958 15.622 1.00 62.12 C ATOM 763 O PRO A 54 8.773 -4.221 14.880 1.00 31.34 O ATOM 764 CB PRO A 54 11.818 -4.962 14.866 1.00 14.03 C ATOM 765 CG PRO A 54 11.768 -4.555 13.434 1.00 0.21 C ATOM 766 CD PRO A 54 11.119 -5.696 12.701 1.00 21.33 C ATOM 0 HA PRO A 54 10.689 -6.615 15.799 1.00 73.41 H new ATOM 0 HB2 PRO A 54 11.821 -4.093 15.525 1.00 14.03 H new ATOM 0 HB3 PRO A 54 12.722 -5.531 15.085 1.00 14.03 H new ATOM 0 HG2 PRO A 54 11.196 -3.636 13.310 1.00 0.21 H new ATOM 0 HG3 PRO A 54 12.769 -4.362 13.048 1.00 0.21 H new ATOM 0 HD2 PRO A 54 10.527 -5.346 11.855 1.00 21.33 H new ATOM 0 HD3 PRO A 54 11.859 -6.393 12.306 1.00 21.33 H new ATOM 774 N THR A 55 9.189 -5.061 16.926 1.00 4.44 N ATOM 775 CA THR A 55 8.130 -4.298 17.575 1.00 40.04 C ATOM 776 C THR A 55 8.695 -3.088 18.310 1.00 33.12 C ATOM 777 O THR A 55 9.907 -2.870 18.331 1.00 74.22 O ATOM 778 CB THR A 55 7.341 -5.168 18.571 1.00 54.21 C ATOM 779 OG1 THR A 55 7.965 -5.127 19.859 1.00 63.33 O ATOM 780 CG2 THR A 55 7.259 -6.607 18.086 1.00 23.52 C ATOM 0 H THR A 55 9.718 -5.666 17.554 1.00 4.44 H new ATOM 0 HA THR A 55 7.457 -3.959 16.788 1.00 40.04 H new ATOM 0 HB THR A 55 6.329 -4.769 18.646 1.00 54.21 H new ATOM 0 HG1 THR A 55 7.456 -5.681 20.487 1.00 63.33 H new ATOM 0 HG21 THR A 55 6.697 -7.202 18.806 1.00 23.52 H new ATOM 0 HG22 THR A 55 6.756 -6.637 17.119 1.00 23.52 H new ATOM 0 HG23 THR A 55 8.265 -7.015 17.985 1.00 23.52 H new ATOM 788 N THR A 56 7.809 -2.302 18.915 1.00 71.32 N ATOM 789 CA THR A 56 8.219 -1.114 19.652 1.00 42.34 C ATOM 790 C THR A 56 9.058 -1.484 20.869 1.00 11.05 C ATOM 791 O THR A 56 9.714 -0.630 21.466 1.00 34.13 O ATOM 792 CB THR A 56 7.002 -0.290 20.112 1.00 34.11 C ATOM 793 OG1 THR A 56 5.963 -1.164 20.569 1.00 63.23 O ATOM 794 CG2 THR A 56 6.477 0.580 18.980 1.00 45.21 C ATOM 0 H THR A 56 6.803 -2.468 18.909 1.00 71.32 H new ATOM 0 HA THR A 56 8.819 -0.511 18.971 1.00 42.34 H new ATOM 0 HB THR A 56 7.318 0.358 20.930 1.00 34.11 H new ATOM 0 HG1 THR A 56 5.193 -0.632 20.861 1.00 63.23 H new ATOM 0 HG21 THR A 56 5.618 1.152 19.329 1.00 45.21 H new ATOM 0 HG22 THR A 56 7.260 1.264 18.654 1.00 45.21 H new ATOM 0 HG23 THR A 56 6.176 -0.052 18.145 1.00 45.21 H new ATOM 802 N SER A 57 9.033 -2.762 21.233 1.00 60.20 N ATOM 803 CA SER A 57 9.789 -3.245 22.382 1.00 3.15 C ATOM 804 C SER A 57 10.790 -4.318 21.963 1.00 51.51 C ATOM 805 O SER A 57 11.815 -4.515 22.615 1.00 31.23 O ATOM 806 CB SER A 57 8.841 -3.804 23.445 1.00 3.43 C ATOM 807 OG SER A 57 9.555 -4.222 24.596 1.00 12.31 O ATOM 0 H SER A 57 8.497 -3.482 20.748 1.00 60.20 H new ATOM 0 HA SER A 57 10.340 -2.403 22.802 1.00 3.15 H new ATOM 0 HB2 SER A 57 8.111 -3.043 23.722 1.00 3.43 H new ATOM 0 HB3 SER A 57 8.284 -4.645 23.033 1.00 3.43 H new ATOM 0 HG SER A 57 8.927 -4.574 25.261 1.00 12.31 H new ATOM 813 N SER A 58 10.484 -5.008 20.869 1.00 41.42 N ATOM 814 CA SER A 58 11.354 -6.063 20.363 1.00 73.21 C ATOM 815 C SER A 58 12.156 -5.576 19.160 1.00 74.43 C ATOM 816 O SER A 58 11.591 -5.091 18.179 1.00 1.03 O ATOM 817 CB SER A 58 10.528 -7.292 19.977 1.00 50.24 C ATOM 818 OG SER A 58 10.945 -8.435 20.703 1.00 72.25 O ATOM 0 H SER A 58 9.640 -4.855 20.316 1.00 41.42 H new ATOM 0 HA SER A 58 12.051 -6.337 21.155 1.00 73.21 H new ATOM 0 HB2 SER A 58 9.473 -7.100 20.170 1.00 50.24 H new ATOM 0 HB3 SER A 58 10.628 -7.480 18.908 1.00 50.24 H new ATOM 0 HG SER A 58 10.401 -9.206 20.440 1.00 72.25 H new ATOM 824 N TRP A 59 13.474 -5.710 19.243 1.00 62.23 N ATOM 825 CA TRP A 59 14.355 -5.284 18.161 1.00 70.20 C ATOM 826 C TRP A 59 15.634 -6.113 18.142 1.00 25.23 C ATOM 827 O TRP A 59 16.060 -6.639 19.171 1.00 15.33 O ATOM 828 CB TRP A 59 14.696 -3.800 18.308 1.00 61.42 C ATOM 829 CG TRP A 59 14.460 -3.271 19.690 1.00 41.41 C ATOM 830 CD1 TRP A 59 13.275 -2.831 20.208 1.00 44.12 C ATOM 831 CD2 TRP A 59 15.434 -3.123 20.729 1.00 31.40 C ATOM 832 NE1 TRP A 59 13.454 -2.419 21.507 1.00 61.15 N ATOM 833 CE2 TRP A 59 14.769 -2.589 21.850 1.00 21.22 C ATOM 834 CE3 TRP A 59 16.802 -3.393 20.822 1.00 11.34 C ATOM 835 CZ2 TRP A 59 15.428 -2.319 23.047 1.00 73.22 C ATOM 836 CZ3 TRP A 59 17.454 -3.124 22.011 1.00 41.24 C ATOM 837 CH2 TRP A 59 16.767 -2.592 23.110 1.00 21.41 C ATOM 0 H TRP A 59 13.957 -6.110 20.048 1.00 62.23 H new ATOM 0 HA TRP A 59 13.831 -5.437 17.217 1.00 70.20 H new ATOM 0 HB2 TRP A 59 15.742 -3.647 18.042 1.00 61.42 H new ATOM 0 HB3 TRP A 59 14.099 -3.225 17.600 1.00 61.42 H new ATOM 0 HD1 TRP A 59 12.336 -2.810 19.675 1.00 44.12 H new ATOM 0 HE1 TRP A 59 12.726 -2.047 22.117 1.00 61.15 H new ATOM 0 HE3 TRP A 59 17.340 -3.804 19.981 1.00 11.34 H new ATOM 0 HZ2 TRP A 59 14.901 -1.909 23.895 1.00 73.22 H new ATOM 0 HZ3 TRP A 59 18.511 -3.328 22.094 1.00 41.24 H new ATOM 0 HH2 TRP A 59 17.305 -2.393 24.025 1.00 21.41 H new ATOM 848 N ASP A 60 16.244 -6.226 16.967 1.00 31.14 N ATOM 849 CA ASP A 60 17.476 -6.991 16.816 1.00 45.33 C ATOM 850 C ASP A 60 18.657 -6.067 16.533 1.00 64.41 C ATOM 851 O ASP A 60 19.810 -6.422 16.784 1.00 33.42 O ATOM 852 CB ASP A 60 17.332 -8.014 15.688 1.00 14.12 C ATOM 853 CG ASP A 60 18.340 -9.141 15.796 1.00 41.32 C ATOM 854 OD1 ASP A 60 19.106 -9.159 16.782 1.00 53.11 O ATOM 855 OD2 ASP A 60 18.364 -10.004 14.893 1.00 5.13 O ATOM 0 H ASP A 60 15.905 -5.798 16.106 1.00 31.14 H new ATOM 0 HA ASP A 60 17.665 -7.518 17.751 1.00 45.33 H new ATOM 0 HB2 ASP A 60 16.324 -8.429 15.704 1.00 14.12 H new ATOM 0 HB3 ASP A 60 17.454 -7.512 14.728 1.00 14.12 H new ATOM 860 N CYS A 61 18.363 -4.883 16.008 1.00 2.05 N ATOM 861 CA CYS A 61 19.401 -3.909 15.689 1.00 0.14 C ATOM 862 C CYS A 61 18.918 -2.489 15.968 1.00 64.21 C ATOM 863 O CYS A 61 17.904 -2.050 15.426 1.00 60.24 O ATOM 864 CB CYS A 61 19.820 -4.040 14.224 1.00 34.13 C ATOM 865 SG CYS A 61 20.446 -5.677 13.779 1.00 2.32 S ATOM 0 H CYS A 61 17.415 -4.574 15.794 1.00 2.05 H new ATOM 0 HA CYS A 61 20.263 -4.112 16.325 1.00 0.14 H new ATOM 0 HB2 CYS A 61 18.965 -3.805 13.590 1.00 34.13 H new ATOM 0 HB3 CYS A 61 20.589 -3.298 14.009 1.00 34.13 H new ATOM 0 HG CYS A 61 20.508 -6.422 14.843 1.00 2.32 H new ATOM 871 N ARG A 62 19.651 -1.777 16.818 1.00 52.11 N ATOM 872 CA ARG A 62 19.296 -0.408 17.171 1.00 53.41 C ATOM 873 C ARG A 62 20.270 0.159 18.200 1.00 61.34 C ATOM 874 O ARG A 62 20.383 -0.335 19.322 1.00 61.24 O ATOM 875 CB ARG A 62 17.869 -0.354 17.720 1.00 0.44 C ATOM 876 CG ARG A 62 17.519 0.972 18.377 1.00 21.43 C ATOM 877 CD ARG A 62 16.125 0.942 18.983 1.00 55.11 C ATOM 878 NE ARG A 62 16.156 0.671 20.418 1.00 65.44 N ATOM 879 CZ ARG A 62 15.182 1.014 21.252 1.00 10.14 C ATOM 880 NH1 ARG A 62 14.104 1.639 20.798 1.00 64.33 N ATOM 881 NH2 ARG A 62 15.284 0.732 22.545 1.00 0.50 N ATOM 0 H ARG A 62 20.494 -2.126 17.275 1.00 52.11 H new ATOM 0 HA ARG A 62 19.354 0.200 16.268 1.00 53.41 H new ATOM 0 HB2 ARG A 62 17.168 -0.543 16.907 1.00 0.44 H new ATOM 0 HB3 ARG A 62 17.738 -1.156 18.447 1.00 0.44 H new ATOM 0 HG2 ARG A 62 18.250 1.199 19.153 1.00 21.43 H new ATOM 0 HG3 ARG A 62 17.579 1.772 17.639 1.00 21.43 H new ATOM 0 HD2 ARG A 62 15.632 1.898 18.806 1.00 55.11 H new ATOM 0 HD3 ARG A 62 15.529 0.179 18.483 1.00 55.11 H new ATOM 0 HE ARG A 62 16.971 0.192 20.800 1.00 65.44 H new ATOM 0 HH11 ARG A 62 14.021 1.858 19.805 1.00 64.33 H new ATOM 0 HH12 ARG A 62 13.357 1.901 21.442 1.00 64.33 H new ATOM 0 HH21 ARG A 62 16.111 0.251 22.898 1.00 0.50 H new ATOM 0 HH22 ARG A 62 14.535 0.996 23.185 1.00 0.50 H new ATOM 895 N PRO A 63 20.992 1.220 17.810 1.00 71.03 N ATOM 896 CA PRO A 63 21.969 1.876 18.683 1.00 43.40 C ATOM 897 C PRO A 63 21.307 2.626 19.834 1.00 40.22 C ATOM 898 O PRO A 63 21.953 2.949 20.831 1.00 64.02 O ATOM 899 CB PRO A 63 22.681 2.856 17.746 1.00 73.31 C ATOM 900 CG PRO A 63 21.693 3.132 16.666 1.00 72.35 C ATOM 901 CD PRO A 63 20.909 1.861 16.487 1.00 51.13 C ATOM 0 HA PRO A 63 22.637 1.158 19.159 1.00 43.40 H new ATOM 0 HB2 PRO A 63 22.962 3.770 18.269 1.00 73.31 H new ATOM 0 HB3 PRO A 63 23.597 2.424 17.344 1.00 73.31 H new ATOM 0 HG2 PRO A 63 21.038 3.959 16.939 1.00 72.35 H new ATOM 0 HG3 PRO A 63 22.195 3.414 15.741 1.00 72.35 H new ATOM 0 HD2 PRO A 63 19.876 2.063 16.202 1.00 51.13 H new ATOM 0 HD3 PRO A 63 21.337 1.231 15.708 1.00 51.13 H new ATOM 982 N ASN A 68 16.146 9.845 13.803 1.00 52.12 N ATOM 983 CA ASN A 68 17.151 9.668 12.762 1.00 65.53 C ATOM 984 C ASN A 68 18.539 9.491 13.370 1.00 23.13 C ATOM 985 O ASN A 68 18.700 9.511 14.590 1.00 44.03 O ATOM 986 CB ASN A 68 17.148 10.866 11.811 1.00 41.04 C ATOM 987 CG ASN A 68 18.060 11.982 12.283 1.00 31.23 C ATOM 988 OD1 ASN A 68 18.832 12.540 11.503 1.00 14.35 O ATOM 989 ND2 ASN A 68 17.975 12.311 13.567 1.00 51.31 N ATOM 0 HA ASN A 68 16.902 8.767 12.201 1.00 65.53 H new ATOM 0 HB2 ASN A 68 17.461 10.540 10.819 1.00 41.04 H new ATOM 0 HB3 ASN A 68 16.131 11.247 11.715 1.00 41.04 H new ATOM 0 HD21 ASN A 68 18.564 13.054 13.943 1.00 51.31 H new ATOM 0 HD22 ASN A 68 17.320 11.821 14.177 1.00 51.31 H new ATOM 996 N ASN A 69 19.539 9.318 12.511 1.00 14.52 N ATOM 997 CA ASN A 69 20.913 9.138 12.964 1.00 43.41 C ATOM 998 C ASN A 69 21.009 7.998 13.973 1.00 13.21 C ATOM 999 O ASN A 69 21.888 7.990 14.834 1.00 42.55 O ATOM 1000 CB ASN A 69 21.440 10.432 13.588 1.00 43.21 C ATOM 1001 CG ASN A 69 22.930 10.615 13.368 1.00 14.22 C ATOM 1002 OD1 ASN A 69 23.524 9.974 12.502 1.00 70.33 O ATOM 1003 ND2 ASN A 69 23.540 11.494 14.155 1.00 70.11 N ATOM 0 H ASN A 69 19.423 9.299 11.498 1.00 14.52 H new ATOM 0 HA ASN A 69 21.524 8.885 12.098 1.00 43.41 H new ATOM 0 HB2 ASN A 69 20.906 11.281 13.162 1.00 43.21 H new ATOM 0 HB3 ASN A 69 21.231 10.428 14.658 1.00 43.21 H new ATOM 0 HD21 ASN A 69 24.541 11.660 14.054 1.00 70.11 H new ATOM 0 HD22 ASN A 69 23.007 12.003 14.860 1.00 70.11 H new ATOM 1010 N GLU A 70 20.097 7.037 13.860 1.00 43.02 N ATOM 1011 CA GLU A 70 20.079 5.892 14.763 1.00 43.23 C ATOM 1012 C GLU A 70 19.972 4.585 13.982 1.00 1.32 C ATOM 1013 O GLU A 70 18.888 4.018 13.846 1.00 2.05 O ATOM 1014 CB GLU A 70 18.913 6.009 15.746 1.00 30.43 C ATOM 1015 CG GLU A 70 18.748 4.792 16.641 1.00 34.31 C ATOM 1016 CD GLU A 70 17.293 4.454 16.904 1.00 52.21 C ATOM 1017 OE1 GLU A 70 16.706 3.694 16.106 1.00 50.12 O ATOM 1018 OE2 GLU A 70 16.741 4.951 17.909 1.00 64.25 O ATOM 0 H GLU A 70 19.362 7.029 13.153 1.00 43.02 H new ATOM 0 HA GLU A 70 21.016 5.886 15.321 1.00 43.23 H new ATOM 0 HB2 GLU A 70 19.061 6.891 16.369 1.00 30.43 H new ATOM 0 HB3 GLU A 70 17.991 6.166 15.186 1.00 30.43 H new ATOM 0 HG2 GLU A 70 19.238 3.936 16.178 1.00 34.31 H new ATOM 0 HG3 GLU A 70 19.252 4.973 17.590 1.00 34.31 H new ATOM 1025 N SER A 71 21.105 4.114 13.471 1.00 72.23 N ATOM 1026 CA SER A 71 21.139 2.876 12.700 1.00 54.51 C ATOM 1027 C SER A 71 22.273 1.972 13.173 1.00 12.41 C ATOM 1028 O SER A 71 23.117 2.383 13.970 1.00 30.05 O ATOM 1029 CB SER A 71 21.304 3.183 11.210 1.00 15.21 C ATOM 1030 OG SER A 71 20.658 4.397 10.865 1.00 63.32 O ATOM 0 H SER A 71 22.011 4.570 13.577 1.00 72.23 H new ATOM 0 HA SER A 71 20.194 2.355 12.854 1.00 54.51 H new ATOM 0 HB2 SER A 71 22.364 3.249 10.964 1.00 15.21 H new ATOM 0 HB3 SER A 71 20.890 2.366 10.619 1.00 15.21 H new ATOM 0 HG SER A 71 21.155 5.151 11.244 1.00 63.32 H new ATOM 1036 N CYS A 72 22.285 0.741 12.676 1.00 23.44 N ATOM 1037 CA CYS A 72 23.315 -0.223 13.048 1.00 31.43 C ATOM 1038 C CYS A 72 24.110 -0.669 11.825 1.00 35.21 C ATOM 1039 O CYS A 72 23.629 -0.584 10.695 1.00 11.32 O ATOM 1040 CB CYS A 72 22.683 -1.437 13.731 1.00 24.34 C ATOM 1041 SG CYS A 72 23.689 -2.144 15.058 1.00 14.41 S ATOM 0 H CYS A 72 21.594 0.386 12.015 1.00 23.44 H new ATOM 0 HA CYS A 72 23.998 0.263 13.745 1.00 31.43 H new ATOM 0 HB2 CYS A 72 21.714 -1.148 14.139 1.00 24.34 H new ATOM 0 HB3 CYS A 72 22.497 -2.206 12.981 1.00 24.34 H new ATOM 0 HG CYS A 72 23.070 -3.163 15.576 1.00 14.41 H new ATOM 1047 N SER A 73 25.329 -1.144 12.059 1.00 50.41 N ATOM 1048 CA SER A 73 26.193 -1.598 10.976 1.00 41.34 C ATOM 1049 C SER A 73 26.736 -2.994 11.263 1.00 61.20 C ATOM 1050 O SER A 73 27.609 -3.171 12.113 1.00 12.12 O ATOM 1051 CB SER A 73 27.352 -0.619 10.775 1.00 73.03 C ATOM 1052 OG SER A 73 28.141 -0.516 11.947 1.00 1.40 O ATOM 0 H SER A 73 25.741 -1.224 12.989 1.00 50.41 H new ATOM 0 HA SER A 73 25.599 -1.639 10.063 1.00 41.34 H new ATOM 0 HB2 SER A 73 27.973 -0.951 9.943 1.00 73.03 H new ATOM 0 HB3 SER A 73 26.961 0.363 10.509 1.00 73.03 H new ATOM 0 HG SER A 73 28.193 -1.392 12.384 1.00 1.40 H new ATOM 1058 N VAL A 74 26.213 -3.985 10.547 1.00 12.42 N ATOM 1059 CA VAL A 74 26.645 -5.366 10.723 1.00 34.12 C ATOM 1060 C VAL A 74 26.475 -6.163 9.435 1.00 62.22 C ATOM 1061 O VAL A 74 25.624 -5.846 8.604 1.00 30.30 O ATOM 1062 CB VAL A 74 25.858 -6.061 11.851 1.00 42.41 C ATOM 1063 CG1 VAL A 74 26.434 -7.440 12.133 1.00 41.14 C ATOM 1064 CG2 VAL A 74 25.863 -5.205 13.108 1.00 10.35 C ATOM 0 H VAL A 74 25.489 -3.856 9.840 1.00 12.42 H new ATOM 0 HA VAL A 74 27.701 -5.336 10.992 1.00 34.12 H new ATOM 0 HB VAL A 74 24.825 -6.185 11.527 1.00 42.41 H new ATOM 0 HG11 VAL A 74 25.865 -7.915 12.932 1.00 41.14 H new ATOM 0 HG12 VAL A 74 26.374 -8.051 11.232 1.00 41.14 H new ATOM 0 HG13 VAL A 74 27.476 -7.344 12.437 1.00 41.14 H new ATOM 0 HG21 VAL A 74 25.303 -5.710 13.895 1.00 10.35 H new ATOM 0 HG22 VAL A 74 26.890 -5.048 13.437 1.00 10.35 H new ATOM 0 HG23 VAL A 74 25.400 -4.242 12.894 1.00 10.35 H new ATOM 1074 N SER A 75 27.291 -7.200 9.275 1.00 23.23 N ATOM 1075 CA SER A 75 27.234 -8.042 8.086 1.00 43.10 C ATOM 1076 C SER A 75 26.174 -9.128 8.239 1.00 14.23 C ATOM 1077 O SER A 75 26.350 -10.081 8.998 1.00 43.34 O ATOM 1078 CB SER A 75 28.599 -8.680 7.821 1.00 22.21 C ATOM 1079 OG SER A 75 28.917 -9.637 8.817 1.00 74.21 O ATOM 0 H SER A 75 28.000 -7.477 9.954 1.00 23.23 H new ATOM 0 HA SER A 75 26.964 -7.412 7.238 1.00 43.10 H new ATOM 0 HB2 SER A 75 28.597 -9.157 6.841 1.00 22.21 H new ATOM 0 HB3 SER A 75 29.367 -7.907 7.797 1.00 22.21 H new ATOM 0 HG SER A 75 28.099 -9.909 9.282 1.00 74.21 H new ATOM 1085 N ALA A 76 25.071 -8.976 7.513 1.00 11.21 N ATOM 1086 CA ALA A 76 23.982 -9.943 7.566 1.00 60.31 C ATOM 1087 C ALA A 76 24.266 -11.139 6.663 1.00 31.24 C ATOM 1088 O ALA A 76 25.017 -11.033 5.694 1.00 0.05 O ATOM 1089 CB ALA A 76 22.669 -9.282 7.172 1.00 23.43 C ATOM 0 H ALA A 76 24.908 -8.192 6.881 1.00 11.21 H new ATOM 0 HA ALA A 76 23.900 -10.305 8.591 1.00 60.31 H new ATOM 0 HB1 ALA A 76 21.864 -10.016 7.216 1.00 23.43 H new ATOM 0 HB2 ALA A 76 22.452 -8.465 7.860 1.00 23.43 H new ATOM 0 HB3 ALA A 76 22.748 -8.891 6.158 1.00 23.43 H new ATOM 1095 N ALA A 77 23.661 -12.277 6.989 1.00 51.14 N ATOM 1096 CA ALA A 77 23.848 -13.492 6.206 1.00 30.42 C ATOM 1097 C ALA A 77 22.630 -13.777 5.334 1.00 33.04 C ATOM 1098 O ALA A 77 21.484 -13.624 5.758 1.00 72.21 O ATOM 1099 CB ALA A 77 24.130 -14.673 7.124 1.00 11.31 C ATOM 0 H ALA A 77 23.038 -12.382 7.789 1.00 51.14 H new ATOM 0 HA ALA A 77 24.705 -13.343 5.549 1.00 30.42 H new ATOM 0 HB1 ALA A 77 24.268 -15.574 6.526 1.00 11.31 H new ATOM 0 HB2 ALA A 77 25.035 -14.478 7.700 1.00 11.31 H new ATOM 0 HB3 ALA A 77 23.290 -14.814 7.804 1.00 11.31 H new ATOM 1105 N PRO A 78 22.880 -14.200 4.086 1.00 30.35 N ATOM 1106 CA PRO A 78 21.816 -14.515 3.129 1.00 54.01 C ATOM 1107 C PRO A 78 21.049 -15.777 3.508 1.00 20.32 C ATOM 1108 O PRO A 78 21.645 -16.796 3.857 1.00 54.21 O ATOM 1109 CB PRO A 78 22.571 -14.723 1.814 1.00 25.11 C ATOM 1110 CG PRO A 78 23.944 -15.130 2.227 1.00 71.04 C ATOM 1111 CD PRO A 78 24.221 -14.405 3.514 1.00 24.04 C ATOM 0 HA PRO A 78 21.063 -13.728 3.084 1.00 54.01 H new ATOM 0 HB2 PRO A 78 22.097 -15.491 1.203 1.00 25.11 H new ATOM 0 HB3 PRO A 78 22.591 -13.809 1.220 1.00 25.11 H new ATOM 0 HG2 PRO A 78 24.006 -16.209 2.366 1.00 71.04 H new ATOM 0 HG3 PRO A 78 24.676 -14.864 1.464 1.00 71.04 H new ATOM 0 HD2 PRO A 78 24.855 -14.993 4.178 1.00 24.04 H new ATOM 0 HD3 PRO A 78 24.732 -13.458 3.340 1.00 24.04 H new ATOM 1119 N GLY A 79 19.723 -15.703 3.437 1.00 23.15 N ATOM 1120 CA GLY A 79 18.897 -16.847 3.776 1.00 22.12 C ATOM 1121 C GLY A 79 17.778 -16.491 4.734 1.00 10.34 C ATOM 1122 O GLY A 79 16.772 -17.197 4.817 1.00 2.54 O ATOM 0 H GLY A 79 19.207 -14.871 3.151 1.00 23.15 H new ATOM 0 HA2 GLY A 79 18.471 -17.266 2.865 1.00 22.12 H new ATOM 0 HA3 GLY A 79 19.520 -17.622 4.222 1.00 22.12 H new ATOM 1126 N THR A 80 17.952 -15.392 5.463 1.00 72.13 N ATOM 1127 CA THR A 80 16.950 -14.945 6.422 1.00 1.40 C ATOM 1128 C THR A 80 16.338 -13.615 5.998 1.00 52.34 C ATOM 1129 O THR A 80 17.051 -12.672 5.654 1.00 44.33 O ATOM 1130 CB THR A 80 17.551 -14.793 7.832 1.00 32.43 C ATOM 1131 OG1 THR A 80 18.260 -15.984 8.193 1.00 35.12 O ATOM 1132 CG2 THR A 80 16.462 -14.515 8.857 1.00 12.14 C ATOM 0 H THR A 80 18.778 -14.796 5.407 1.00 72.13 H new ATOM 0 HA THR A 80 16.173 -15.709 6.446 1.00 1.40 H new ATOM 0 HB THR A 80 18.241 -13.949 7.820 1.00 32.43 H new ATOM 0 HG1 THR A 80 18.641 -15.879 9.090 1.00 35.12 H new ATOM 0 HG21 THR A 80 16.910 -14.411 9.845 1.00 12.14 H new ATOM 0 HG22 THR A 80 15.943 -13.593 8.596 1.00 12.14 H new ATOM 0 HG23 THR A 80 15.751 -15.341 8.866 1.00 12.14 H new ATOM 1140 N THR A 81 15.010 -13.544 6.024 1.00 24.12 N ATOM 1141 CA THR A 81 14.302 -12.329 5.642 1.00 72.43 C ATOM 1142 C THR A 81 14.467 -11.241 6.696 1.00 20.24 C ATOM 1143 O THR A 81 14.387 -11.508 7.896 1.00 73.33 O ATOM 1144 CB THR A 81 12.800 -12.598 5.429 1.00 61.41 C ATOM 1145 OG1 THR A 81 12.619 -13.819 4.702 1.00 22.05 O ATOM 1146 CG2 THR A 81 12.147 -11.451 4.673 1.00 34.15 C ATOM 0 H THR A 81 14.404 -14.314 6.306 1.00 24.12 H new ATOM 0 HA THR A 81 14.740 -11.990 4.703 1.00 72.43 H new ATOM 0 HB THR A 81 12.327 -12.684 6.407 1.00 61.41 H new ATOM 0 HG1 THR A 81 11.662 -13.984 4.572 1.00 22.05 H new ATOM 0 HG21 THR A 81 11.087 -11.663 4.534 1.00 34.15 H new ATOM 0 HG22 THR A 81 12.261 -10.528 5.242 1.00 34.15 H new ATOM 0 HG23 THR A 81 12.625 -11.338 3.700 1.00 34.15 H new ATOM 1154 N TYR A 82 14.698 -10.014 6.243 1.00 75.34 N ATOM 1155 CA TYR A 82 14.876 -8.885 7.148 1.00 32.51 C ATOM 1156 C TYR A 82 13.712 -7.906 7.033 1.00 41.42 C ATOM 1157 O TYR A 82 13.304 -7.535 5.932 1.00 52.14 O ATOM 1158 CB TYR A 82 16.193 -8.168 6.849 1.00 50.32 C ATOM 1159 CG TYR A 82 17.419 -8.982 7.196 1.00 13.01 C ATOM 1160 CD1 TYR A 82 17.713 -9.302 8.516 1.00 70.11 C ATOM 1161 CD2 TYR A 82 18.283 -9.430 6.205 1.00 21.31 C ATOM 1162 CE1 TYR A 82 18.832 -10.045 8.838 1.00 21.22 C ATOM 1163 CE2 TYR A 82 19.404 -10.175 6.518 1.00 74.20 C ATOM 1164 CZ TYR A 82 19.674 -10.480 7.836 1.00 51.22 C ATOM 1165 OH TYR A 82 20.790 -11.220 8.152 1.00 71.33 O ATOM 0 H TYR A 82 14.766 -9.776 5.254 1.00 75.34 H new ATOM 0 HA TYR A 82 14.903 -9.270 8.168 1.00 32.51 H new ATOM 0 HB2 TYR A 82 16.225 -7.912 5.790 1.00 50.32 H new ATOM 0 HB3 TYR A 82 16.221 -7.231 7.404 1.00 50.32 H new ATOM 0 HD1 TYR A 82 17.055 -8.964 9.303 1.00 70.11 H new ATOM 0 HD2 TYR A 82 18.075 -9.192 5.172 1.00 21.31 H new ATOM 0 HE1 TYR A 82 19.047 -10.284 9.869 1.00 21.22 H new ATOM 0 HE2 TYR A 82 20.065 -10.517 5.735 1.00 74.20 H new ATOM 0 HH TYR A 82 21.000 -11.828 7.412 1.00 71.33 H new ATOM 1175 N HIS A 83 13.182 -7.489 8.178 1.00 1.15 N ATOM 1176 CA HIS A 83 12.066 -6.551 8.208 1.00 52.41 C ATOM 1177 C HIS A 83 12.528 -5.170 8.664 1.00 23.21 C ATOM 1178 O HIS A 83 13.592 -5.029 9.268 1.00 13.40 O ATOM 1179 CB HIS A 83 10.964 -7.065 9.135 1.00 4.34 C ATOM 1180 CG HIS A 83 10.099 -8.116 8.512 1.00 14.11 C ATOM 1181 ND1 HIS A 83 8.783 -8.104 8.192 1.00 33.11 N flip ATOM 1182 CD2 HIS A 83 10.570 -9.359 8.146 1.00 24.41 C flip ATOM 1183 CE1 HIS A 83 8.487 -9.328 7.643 1.00 22.12 C flip ATOM 1184 NE2 HIS A 83 9.582 -10.066 7.626 1.00 2.30 N flip ATOM 0 H HIS A 83 13.508 -7.786 9.098 1.00 1.15 H new ATOM 0 HA HIS A 83 11.669 -6.466 7.197 1.00 52.41 H new ATOM 0 HB2 HIS A 83 11.420 -7.470 10.038 1.00 4.34 H new ATOM 0 HB3 HIS A 83 10.339 -6.227 9.442 1.00 4.34 H new ATOM 0 HD2 HIS A 83 11.587 -9.701 8.266 1.00 24.41 H new ATOM 0 HE1 HIS A 83 7.516 -9.637 7.284 1.00 22.12 H new ATOM 0 HE2 HIS A 83 9.653 -11.020 7.272 1.00 2.30 H new ATOM 1192 N VAL A 84 11.723 -4.154 8.371 1.00 74.45 N ATOM 1193 CA VAL A 84 12.049 -2.785 8.751 1.00 71.23 C ATOM 1194 C VAL A 84 10.825 -2.060 9.299 1.00 73.44 C ATOM 1195 O VAL A 84 9.723 -2.192 8.766 1.00 21.02 O ATOM 1196 CB VAL A 84 12.611 -1.990 7.557 1.00 22.23 C ATOM 1197 CG1 VAL A 84 13.457 -0.823 8.044 1.00 74.02 C ATOM 1198 CG2 VAL A 84 13.419 -2.900 6.644 1.00 31.35 C ATOM 0 H VAL A 84 10.839 -4.253 7.871 1.00 74.45 H new ATOM 0 HA VAL A 84 12.810 -2.845 9.529 1.00 71.23 H new ATOM 0 HB VAL A 84 11.775 -1.588 6.984 1.00 22.23 H new ATOM 0 HG11 VAL A 84 13.846 -0.273 7.187 1.00 74.02 H new ATOM 0 HG12 VAL A 84 12.844 -0.159 8.654 1.00 74.02 H new ATOM 0 HG13 VAL A 84 14.288 -1.200 8.640 1.00 74.02 H new ATOM 0 HG21 VAL A 84 13.808 -2.322 5.806 1.00 31.35 H new ATOM 0 HG22 VAL A 84 14.249 -3.333 7.203 1.00 31.35 H new ATOM 0 HG23 VAL A 84 12.780 -3.699 6.268 1.00 31.35 H new ATOM 1208 N MET A 85 11.026 -1.294 10.366 1.00 71.32 N ATOM 1209 CA MET A 85 9.938 -0.546 10.985 1.00 31.52 C ATOM 1210 C MET A 85 10.370 0.883 11.298 1.00 74.22 C ATOM 1211 O MET A 85 11.346 1.103 12.014 1.00 5.04 O ATOM 1212 CB MET A 85 9.476 -1.244 12.266 1.00 12.22 C ATOM 1213 CG MET A 85 8.137 -0.742 12.782 1.00 73.31 C ATOM 1214 SD MET A 85 6.741 -1.424 11.867 1.00 34.41 S ATOM 1215 CE MET A 85 5.713 0.031 11.683 1.00 41.14 C ATOM 0 H MET A 85 11.932 -1.175 10.820 1.00 71.32 H new ATOM 0 HA MET A 85 9.108 -0.509 10.280 1.00 31.52 H new ATOM 0 HB2 MET A 85 9.406 -2.316 12.081 1.00 12.22 H new ATOM 0 HB3 MET A 85 10.231 -1.102 13.040 1.00 12.22 H new ATOM 0 HG2 MET A 85 8.038 -1.002 13.836 1.00 73.31 H new ATOM 0 HG3 MET A 85 8.112 0.346 12.718 1.00 73.31 H new ATOM 0 HE1 MET A 85 4.696 -0.271 11.434 1.00 41.14 H new ATOM 0 HE2 MET A 85 5.706 0.592 12.617 1.00 41.14 H new ATOM 0 HE3 MET A 85 6.111 0.659 10.886 1.00 41.14 H new ATOM 1225 N ILE A 86 9.636 1.849 10.756 1.00 3.42 N ATOM 1226 CA ILE A 86 9.944 3.257 10.979 1.00 72.34 C ATOM 1227 C ILE A 86 8.859 3.932 11.810 1.00 35.24 C ATOM 1228 O ILE A 86 7.709 4.040 11.382 1.00 45.52 O ATOM 1229 CB ILE A 86 10.102 4.016 9.648 1.00 74.31 C ATOM 1230 CG1 ILE A 86 11.080 3.281 8.730 1.00 44.05 C ATOM 1231 CG2 ILE A 86 10.573 5.440 9.903 1.00 60.52 C ATOM 1232 CD1 ILE A 86 12.502 3.269 9.247 1.00 13.03 C ATOM 0 H ILE A 86 8.825 1.683 10.160 1.00 3.42 H new ATOM 0 HA ILE A 86 10.888 3.291 11.522 1.00 72.34 H new ATOM 0 HB ILE A 86 9.132 4.059 9.153 1.00 74.31 H new ATOM 0 HG12 ILE A 86 10.741 2.253 8.600 1.00 44.05 H new ATOM 0 HG13 ILE A 86 11.064 3.749 7.746 1.00 44.05 H new ATOM 0 HG21 ILE A 86 10.680 5.963 8.953 1.00 60.52 H new ATOM 0 HG22 ILE A 86 9.842 5.959 10.523 1.00 60.52 H new ATOM 0 HG23 ILE A 86 11.535 5.419 10.416 1.00 60.52 H new ATOM 0 HD11 ILE A 86 13.140 2.731 8.546 1.00 13.03 H new ATOM 0 HD12 ILE A 86 12.860 4.293 9.351 1.00 13.03 H new ATOM 0 HD13 ILE A 86 12.532 2.774 10.218 1.00 13.03 H new ATOM 1244 N LYS A 87 9.231 4.386 13.002 1.00 31.12 N ATOM 1245 CA LYS A 87 8.291 5.054 13.895 1.00 42.13 C ATOM 1246 C LYS A 87 8.492 6.566 13.863 1.00 20.23 C ATOM 1247 O LYS A 87 9.614 7.050 13.722 1.00 61.11 O ATOM 1248 CB LYS A 87 8.458 4.536 15.325 1.00 5.41 C ATOM 1249 CG LYS A 87 7.217 3.855 15.874 1.00 1.14 C ATOM 1250 CD LYS A 87 6.268 4.856 16.513 1.00 62.33 C ATOM 1251 CE LYS A 87 4.815 4.453 16.311 1.00 24.11 C ATOM 1252 NZ LYS A 87 4.272 3.727 17.493 1.00 50.25 N ATOM 0 H LYS A 87 10.178 4.303 13.372 1.00 31.12 H new ATOM 0 HA LYS A 87 7.281 4.832 13.551 1.00 42.13 H new ATOM 0 HB2 LYS A 87 9.290 3.833 15.353 1.00 5.41 H new ATOM 0 HB3 LYS A 87 8.723 5.369 15.976 1.00 5.41 H new ATOM 0 HG2 LYS A 87 6.704 3.328 15.069 1.00 1.14 H new ATOM 0 HG3 LYS A 87 7.508 3.106 16.611 1.00 1.14 H new ATOM 0 HD2 LYS A 87 6.481 4.932 17.579 1.00 62.33 H new ATOM 0 HD3 LYS A 87 6.436 5.844 16.084 1.00 62.33 H new ATOM 0 HE2 LYS A 87 4.214 5.343 16.123 1.00 24.11 H new ATOM 0 HE3 LYS A 87 4.733 3.821 15.427 1.00 24.11 H new ATOM 0 HZ1 LYS A 87 3.280 3.469 17.317 1.00 50.25 H new ATOM 0 HZ2 LYS A 87 4.830 2.865 17.657 1.00 50.25 H new ATOM 0 HZ3 LYS A 87 4.327 4.339 18.332 1.00 50.25 H new ATOM 1266 N GLY A 88 7.396 7.307 13.998 1.00 62.05 N ATOM 1267 CA GLY A 88 7.474 8.756 13.983 1.00 4.01 C ATOM 1268 C GLY A 88 7.113 9.369 15.321 1.00 11.53 C ATOM 1269 O GLY A 88 6.337 8.796 16.086 1.00 71.42 O ATOM 0 H GLY A 88 6.456 6.930 14.117 1.00 62.05 H new ATOM 0 HA2 GLY A 88 8.484 9.060 13.708 1.00 4.01 H new ATOM 0 HA3 GLY A 88 6.804 9.145 13.216 1.00 4.01 H new ATOM 1273 N TYR A 89 7.677 10.538 15.606 1.00 23.44 N ATOM 1274 CA TYR A 89 7.413 11.227 16.864 1.00 43.44 C ATOM 1275 C TYR A 89 6.523 12.446 16.640 1.00 72.21 C ATOM 1276 O TYR A 89 5.776 12.854 17.529 1.00 52.40 O ATOM 1277 CB TYR A 89 8.727 11.655 17.520 1.00 12.52 C ATOM 1278 CG TYR A 89 8.714 11.546 19.028 1.00 14.52 C ATOM 1279 CD1 TYR A 89 9.105 10.374 19.663 1.00 45.02 C ATOM 1280 CD2 TYR A 89 8.309 12.615 19.818 1.00 14.03 C ATOM 1281 CE1 TYR A 89 9.094 10.269 21.040 1.00 4.43 C ATOM 1282 CE2 TYR A 89 8.296 12.520 21.196 1.00 32.14 C ATOM 1283 CZ TYR A 89 8.689 11.345 21.803 1.00 43.13 C ATOM 1284 OH TYR A 89 8.677 11.246 23.175 1.00 34.11 O ATOM 0 H TYR A 89 8.319 11.028 14.983 1.00 23.44 H new ATOM 0 HA TYR A 89 6.892 10.535 17.526 1.00 43.44 H new ATOM 0 HB2 TYR A 89 9.537 11.041 17.127 1.00 12.52 H new ATOM 0 HB3 TYR A 89 8.944 12.686 17.240 1.00 12.52 H new ATOM 0 HD1 TYR A 89 9.423 9.530 19.069 1.00 45.02 H new ATOM 0 HD2 TYR A 89 7.999 13.536 19.347 1.00 14.03 H new ATOM 0 HE1 TYR A 89 9.401 9.350 21.517 1.00 4.43 H new ATOM 0 HE2 TYR A 89 7.980 13.361 21.795 1.00 32.14 H new ATOM 0 HH TYR A 89 8.367 12.092 23.561 1.00 34.11 H new ATOM 1294 N SER A 90 6.608 13.021 15.445 1.00 52.42 N ATOM 1295 CA SER A 90 5.813 14.195 15.103 1.00 13.14 C ATOM 1296 C SER A 90 6.016 14.582 13.642 1.00 52.33 C ATOM 1297 O SER A 90 7.110 14.440 13.097 1.00 13.40 O ATOM 1298 CB SER A 90 6.184 15.370 16.010 1.00 13.03 C ATOM 1299 OG SER A 90 7.542 15.735 15.842 1.00 45.35 O ATOM 0 H SER A 90 7.219 12.693 14.697 1.00 52.42 H new ATOM 0 HA SER A 90 4.762 13.947 15.252 1.00 13.14 H new ATOM 0 HB2 SER A 90 5.544 16.223 15.785 1.00 13.03 H new ATOM 0 HB3 SER A 90 6.002 15.102 17.051 1.00 13.03 H new ATOM 0 HG SER A 90 7.962 15.139 15.187 1.00 45.35 H new ATOM 1305 N ASN A 91 4.952 15.072 13.013 1.00 45.33 N ATOM 1306 CA ASN A 91 5.013 15.480 11.614 1.00 55.03 C ATOM 1307 C ASN A 91 6.393 16.030 11.266 1.00 34.21 C ATOM 1308 O ASN A 91 6.744 17.144 11.654 1.00 23.04 O ATOM 1309 CB ASN A 91 3.943 16.534 11.322 1.00 52.33 C ATOM 1310 CG ASN A 91 3.856 17.587 12.410 1.00 44.01 C ATOM 1311 OD1 ASN A 91 4.680 18.500 12.473 1.00 63.41 O ATOM 1312 ND2 ASN A 91 2.855 17.464 13.274 1.00 43.14 N ATOM 0 H ASN A 91 4.038 15.196 13.449 1.00 45.33 H new ATOM 0 HA ASN A 91 4.826 14.601 10.997 1.00 55.03 H new ATOM 0 HB2 ASN A 91 4.163 17.017 10.370 1.00 52.33 H new ATOM 0 HB3 ASN A 91 2.975 16.045 11.215 1.00 52.33 H new ATOM 0 HD21 ASN A 91 2.746 18.142 14.028 1.00 43.14 H new ATOM 0 HD22 ASN A 91 2.195 16.691 13.184 1.00 43.14 H new ATOM 1319 N TYR A 92 7.170 15.241 10.532 1.00 14.30 N ATOM 1320 CA TYR A 92 8.512 15.648 10.133 1.00 31.32 C ATOM 1321 C TYR A 92 9.059 14.728 9.046 1.00 21.20 C ATOM 1322 O TYR A 92 9.215 13.525 9.255 1.00 34.23 O ATOM 1323 CB TYR A 92 9.449 15.642 11.342 1.00 65.53 C ATOM 1324 CG TYR A 92 10.463 16.764 11.328 1.00 74.22 C ATOM 1325 CD1 TYR A 92 11.478 16.798 10.380 1.00 24.25 C ATOM 1326 CD2 TYR A 92 10.403 17.791 12.262 1.00 63.03 C ATOM 1327 CE1 TYR A 92 12.406 17.821 10.365 1.00 65.23 C ATOM 1328 CE2 TYR A 92 11.326 18.819 12.253 1.00 63.14 C ATOM 1329 CZ TYR A 92 12.326 18.829 11.303 1.00 42.15 C ATOM 1330 OH TYR A 92 13.248 19.851 11.289 1.00 31.32 O ATOM 0 H TYR A 92 6.894 14.316 10.201 1.00 14.30 H new ATOM 0 HA TYR A 92 8.454 16.660 9.732 1.00 31.32 H new ATOM 0 HB2 TYR A 92 8.854 15.713 12.253 1.00 65.53 H new ATOM 0 HB3 TYR A 92 9.975 14.688 11.378 1.00 65.53 H new ATOM 0 HD1 TYR A 92 11.543 16.012 9.643 1.00 24.25 H new ATOM 0 HD2 TYR A 92 9.622 17.786 13.008 1.00 63.03 H new ATOM 0 HE1 TYR A 92 13.190 17.832 9.623 1.00 65.23 H new ATOM 0 HE2 TYR A 92 11.265 19.610 12.986 1.00 63.14 H new ATOM 0 HH TYR A 92 13.050 20.480 12.014 1.00 31.32 H new ATOM 1340 N SER A 93 9.350 15.304 7.884 1.00 61.20 N ATOM 1341 CA SER A 93 9.877 14.537 6.761 1.00 23.35 C ATOM 1342 C SER A 93 11.226 15.090 6.311 1.00 52.21 C ATOM 1343 O SER A 93 11.573 16.231 6.612 1.00 2.22 O ATOM 1344 CB SER A 93 8.889 14.557 5.594 1.00 61.33 C ATOM 1345 OG SER A 93 8.447 15.875 5.322 1.00 44.50 O ATOM 0 H SER A 93 9.230 16.299 7.695 1.00 61.20 H new ATOM 0 HA SER A 93 10.018 13.507 7.090 1.00 23.35 H new ATOM 0 HB2 SER A 93 9.362 14.138 4.706 1.00 61.33 H new ATOM 0 HB3 SER A 93 8.033 13.924 5.827 1.00 61.33 H new ATOM 0 HG SER A 93 7.818 15.861 4.571 1.00 44.50 H new ATOM 1351 N GLY A 94 11.982 14.271 5.586 1.00 4.41 N ATOM 1352 CA GLY A 94 13.284 14.695 5.105 1.00 3.42 C ATOM 1353 C GLY A 94 14.403 13.797 5.594 1.00 44.33 C ATOM 1354 O GLY A 94 15.560 14.214 5.659 1.00 20.03 O ATOM 0 H GLY A 94 11.716 13.322 5.323 1.00 4.41 H new ATOM 0 HA2 GLY A 94 13.280 14.704 4.015 1.00 3.42 H new ATOM 0 HA3 GLY A 94 13.473 15.717 5.432 1.00 3.42 H new ATOM 1358 N VAL A 95 14.060 12.561 5.939 1.00 33.44 N ATOM 1359 CA VAL A 95 15.044 11.601 6.425 1.00 0.03 C ATOM 1360 C VAL A 95 15.215 10.445 5.446 1.00 50.42 C ATOM 1361 O VAL A 95 14.264 10.036 4.778 1.00 4.03 O ATOM 1362 CB VAL A 95 14.646 11.038 7.803 1.00 64.35 C ATOM 1363 CG1 VAL A 95 15.846 10.399 8.485 1.00 23.20 C ATOM 1364 CG2 VAL A 95 14.048 12.132 8.673 1.00 51.41 C ATOM 0 H VAL A 95 13.107 12.200 5.891 1.00 33.44 H new ATOM 0 HA VAL A 95 15.989 12.136 6.518 1.00 0.03 H new ATOM 0 HB VAL A 95 13.889 10.268 7.657 1.00 64.35 H new ATOM 0 HG11 VAL A 95 15.546 10.007 9.457 1.00 23.20 H new ATOM 0 HG12 VAL A 95 16.225 9.585 7.867 1.00 23.20 H new ATOM 0 HG13 VAL A 95 16.628 11.146 8.621 1.00 23.20 H new ATOM 0 HG21 VAL A 95 13.773 11.716 9.642 1.00 51.41 H new ATOM 0 HG22 VAL A 95 14.781 12.926 8.814 1.00 51.41 H new ATOM 0 HG23 VAL A 95 13.161 12.539 8.188 1.00 51.41 H new ATOM 1374 N THR A 96 16.434 9.921 5.364 1.00 1.31 N ATOM 1375 CA THR A 96 16.731 8.813 4.466 1.00 72.33 C ATOM 1376 C THR A 96 16.922 7.514 5.240 1.00 32.40 C ATOM 1377 O THR A 96 17.604 7.484 6.265 1.00 44.30 O ATOM 1378 CB THR A 96 17.995 9.090 3.630 1.00 31.42 C ATOM 1379 OG1 THR A 96 17.925 10.399 3.055 1.00 10.34 O ATOM 1380 CG2 THR A 96 18.152 8.054 2.527 1.00 20.11 C ATOM 0 H THR A 96 17.232 10.247 5.909 1.00 1.31 H new ATOM 0 HA THR A 96 15.877 8.712 3.796 1.00 72.33 H new ATOM 0 HB THR A 96 18.861 9.029 4.290 1.00 31.42 H new ATOM 0 HG1 THR A 96 18.733 10.568 2.527 1.00 10.34 H new ATOM 0 HG21 THR A 96 19.051 8.270 1.950 1.00 20.11 H new ATOM 0 HG22 THR A 96 18.235 7.061 2.969 1.00 20.11 H new ATOM 0 HG23 THR A 96 17.283 8.087 1.870 1.00 20.11 H new ATOM 1388 N LEU A 97 16.316 6.440 4.744 1.00 0.41 N ATOM 1389 CA LEU A 97 16.420 5.136 5.390 1.00 42.34 C ATOM 1390 C LEU A 97 17.080 4.121 4.462 1.00 33.21 C ATOM 1391 O LEU A 97 16.662 3.946 3.317 1.00 44.50 O ATOM 1392 CB LEU A 97 15.035 4.639 5.806 1.00 12.31 C ATOM 1393 CG LEU A 97 14.978 3.235 6.408 1.00 64.43 C ATOM 1394 CD1 LEU A 97 15.162 2.182 5.325 1.00 2.51 C ATOM 1395 CD2 LEU A 97 16.034 3.076 7.492 1.00 11.45 C ATOM 0 H LEU A 97 15.748 6.447 3.897 1.00 0.41 H new ATOM 0 HA LEU A 97 17.041 5.246 6.279 1.00 42.34 H new ATOM 0 HB2 LEU A 97 14.622 5.340 6.531 1.00 12.31 H new ATOM 0 HB3 LEU A 97 14.384 4.664 4.932 1.00 12.31 H new ATOM 0 HG LEU A 97 13.996 3.095 6.861 1.00 64.43 H new ATOM 0 HD11 LEU A 97 15.119 1.189 5.772 1.00 2.51 H new ATOM 0 HD12 LEU A 97 14.370 2.281 4.583 1.00 2.51 H new ATOM 0 HD13 LEU A 97 16.130 2.321 4.843 1.00 2.51 H new ATOM 0 HD21 LEU A 97 15.979 2.071 7.909 1.00 11.45 H new ATOM 0 HD22 LEU A 97 17.023 3.237 7.063 1.00 11.45 H new ATOM 0 HD23 LEU A 97 15.858 3.807 8.281 1.00 11.45 H new ATOM 1407 N LYS A 98 18.111 3.451 4.965 1.00 62.23 N ATOM 1408 CA LYS A 98 18.827 2.449 4.184 1.00 44.23 C ATOM 1409 C LYS A 98 19.148 1.224 5.033 1.00 20.34 C ATOM 1410 O LYS A 98 19.250 1.314 6.258 1.00 62.14 O ATOM 1411 CB LYS A 98 20.119 3.042 3.617 1.00 5.54 C ATOM 1412 CG LYS A 98 20.791 2.159 2.580 1.00 55.54 C ATOM 1413 CD LYS A 98 20.222 2.399 1.191 1.00 15.53 C ATOM 1414 CE LYS A 98 18.866 1.731 1.021 1.00 20.22 C ATOM 1415 NZ LYS A 98 18.712 1.126 -0.331 1.00 31.54 N ATOM 0 H LYS A 98 18.470 3.584 5.911 1.00 62.23 H new ATOM 0 HA LYS A 98 18.184 2.140 3.360 1.00 44.23 H new ATOM 0 HB2 LYS A 98 19.898 4.011 3.169 1.00 5.54 H new ATOM 0 HB3 LYS A 98 20.816 3.221 4.436 1.00 5.54 H new ATOM 0 HG2 LYS A 98 21.863 2.355 2.574 1.00 55.54 H new ATOM 0 HG3 LYS A 98 20.660 1.112 2.852 1.00 55.54 H new ATOM 0 HD2 LYS A 98 20.125 3.471 1.016 1.00 15.53 H new ATOM 0 HD3 LYS A 98 20.914 2.015 0.442 1.00 15.53 H new ATOM 0 HE2 LYS A 98 18.744 0.959 1.781 1.00 20.22 H new ATOM 0 HE3 LYS A 98 18.077 2.465 1.183 1.00 20.22 H new ATOM 0 HZ1 LYS A 98 17.732 0.801 -0.456 1.00 31.54 H new ATOM 0 HZ2 LYS A 98 18.937 1.836 -1.057 1.00 31.54 H new ATOM 0 HZ3 LYS A 98 19.359 0.318 -0.425 1.00 31.54 H new ATOM 1429 N LEU A 99 19.307 0.080 4.377 1.00 20.22 N ATOM 1430 CA LEU A 99 19.618 -1.164 5.073 1.00 60.44 C ATOM 1431 C LEU A 99 21.124 -1.324 5.255 1.00 31.51 C ATOM 1432 O LEU A 99 21.908 -0.924 4.396 1.00 43.13 O ATOM 1433 CB LEU A 99 19.057 -2.358 4.298 1.00 32.45 C ATOM 1434 CG LEU A 99 20.054 -3.466 3.958 1.00 62.23 C ATOM 1435 CD1 LEU A 99 19.327 -4.773 3.683 1.00 30.32 C ATOM 1436 CD2 LEU A 99 20.907 -3.067 2.762 1.00 12.12 C ATOM 0 H LEU A 99 19.226 -0.012 3.364 1.00 20.22 H new ATOM 0 HA LEU A 99 19.153 -1.127 6.058 1.00 60.44 H new ATOM 0 HB2 LEU A 99 18.245 -2.794 4.880 1.00 32.45 H new ATOM 0 HB3 LEU A 99 18.622 -1.990 3.369 1.00 32.45 H new ATOM 0 HG LEU A 99 20.711 -3.613 4.816 1.00 62.23 H new ATOM 0 HD11 LEU A 99 20.053 -5.550 3.443 1.00 30.32 H new ATOM 0 HD12 LEU A 99 18.760 -5.067 4.566 1.00 30.32 H new ATOM 0 HD13 LEU A 99 18.646 -4.641 2.842 1.00 30.32 H new ATOM 0 HD21 LEU A 99 21.611 -3.867 2.534 1.00 12.12 H new ATOM 0 HD22 LEU A 99 20.265 -2.892 1.899 1.00 12.12 H new ATOM 0 HD23 LEU A 99 21.457 -2.155 2.995 1.00 12.12 H new ATOM 1448 N GLN A 100 21.519 -1.914 6.379 1.00 62.34 N ATOM 1449 CA GLN A 100 22.931 -2.129 6.672 1.00 2.34 C ATOM 1450 C GLN A 100 23.371 -3.525 6.244 1.00 15.02 C ATOM 1451 O GLN A 100 22.934 -4.526 6.813 1.00 0.34 O ATOM 1452 CB GLN A 100 23.199 -1.932 8.166 1.00 72.44 C ATOM 1453 CG GLN A 100 22.045 -2.371 9.053 1.00 0.31 C ATOM 1454 CD GLN A 100 21.728 -3.846 8.912 1.00 71.43 C ATOM 1455 OE1 GLN A 100 22.531 -4.704 9.281 1.00 51.13 O ATOM 1456 NE2 GLN A 100 20.552 -4.151 8.375 1.00 11.32 N ATOM 0 H GLN A 100 20.882 -2.251 7.101 1.00 62.34 H new ATOM 0 HA GLN A 100 23.508 -1.398 6.106 1.00 2.34 H new ATOM 0 HB2 GLN A 100 24.093 -2.491 8.443 1.00 72.44 H new ATOM 0 HB3 GLN A 100 23.410 -0.879 8.353 1.00 72.44 H new ATOM 0 HG2 GLN A 100 22.288 -2.154 10.093 1.00 0.31 H new ATOM 0 HG3 GLN A 100 21.159 -1.788 8.804 1.00 0.31 H new ATOM 0 HE21 GLN A 100 19.917 -3.408 8.083 1.00 11.32 H new ATOM 0 HE22 GLN A 100 20.284 -5.128 8.255 1.00 11.32 H new ATOM 1465 N TYR A 101 24.236 -3.585 5.238 1.00 12.12 N ATOM 1466 CA TYR A 101 24.732 -4.859 4.732 1.00 40.02 C ATOM 1467 C TYR A 101 26.227 -4.783 4.436 1.00 11.24 C ATOM 1468 O TYR A 101 26.674 -5.147 3.350 1.00 0.21 O ATOM 1469 CB TYR A 101 23.971 -5.260 3.467 1.00 32.43 C ATOM 1470 CG TYR A 101 23.960 -6.751 3.215 1.00 70.15 C ATOM 1471 CD1 TYR A 101 23.710 -7.648 4.246 1.00 72.43 C ATOM 1472 CD2 TYR A 101 24.201 -7.262 1.945 1.00 32.44 C ATOM 1473 CE1 TYR A 101 23.700 -9.011 4.020 1.00 74.32 C ATOM 1474 CE2 TYR A 101 24.191 -8.624 1.710 1.00 1.40 C ATOM 1475 CZ TYR A 101 23.940 -9.494 2.750 1.00 3.13 C ATOM 1476 OH TYR A 101 23.931 -10.851 2.520 1.00 1.42 O ATOM 0 H TYR A 101 24.608 -2.766 4.757 1.00 12.12 H new ATOM 0 HA TYR A 101 24.570 -5.614 5.501 1.00 40.02 H new ATOM 0 HB2 TYR A 101 22.943 -4.905 3.543 1.00 32.43 H new ATOM 0 HB3 TYR A 101 24.419 -4.758 2.609 1.00 32.43 H new ATOM 0 HD1 TYR A 101 23.520 -7.274 5.241 1.00 72.43 H new ATOM 0 HD2 TYR A 101 24.399 -6.584 1.128 1.00 32.44 H new ATOM 0 HE1 TYR A 101 23.505 -9.695 4.833 1.00 74.32 H new ATOM 0 HE2 TYR A 101 24.379 -9.005 0.717 1.00 1.40 H new ATOM 0 HH TYR A 101 23.772 -11.325 3.363 1.00 1.42 H new