USER MOD reduce.3.24.130724 H: found=0, std=0, add=1120, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1120 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 48 SER OG : rot -93:sc= 2.03 USER MOD Set 1.2: A 66 HIS : no HD1:sc= -1.7! C(o=0.33!,f=-9.4!) USER MOD Set 2.1: A 54 LYS NZ :NH3+ -178:sc= 0.504 (180deg=0) USER MOD Set 2.2: A 58 ASN : amide:sc= 0.864 K(o=1.3,f=-3.4) USER MOD Set 2.3: A 63 ASN : amide:sc= -0.114 K(o=1.3,f=-0.11) USER MOD Set 3.1: A 42 MET CE :methyl -109:sc= -0.456 (180deg=-2.4!) USER MOD Set 3.2: A 76 THR OG1 : rot 96:sc= 0.379 USER MOD Set 4.1: A 1 GLN :FLIP amide:sc= -1.54 F(o=-6.2,f=-3.3) USER MOD Set 4.2: A 3 GLN :FLIP amide:sc= -1.74! C(o=-6.2!,f=-3.3!) USER MOD Single : A 1 GLN N :NH3+ 152:sc= 0.0424 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 155:sc= 0.602 (180deg=0.386) USER MOD Single : A 13 TYR OH : rot 180:sc= -0.128 USER MOD Single : A 17 ASN : amide:sc= -0.375 X(o=-0.37,f=-0.71) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0644) USER MOD Single : A 32 GLN :FLIP amide:sc= -0.549 F(o=-1.3,f=-0.55) USER MOD Single : A 37 THR OG1 : rot -77:sc= 0.7 USER MOD Single : A 39 CYS SG : rot -53:sc= -7.33! USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 143:sc= 1.07 (180deg=-0.0399) USER MOD Single : A 53 LYS NZ :NH3+ 164:sc= 1.13 (180deg=0.759) USER MOD Single : A 57 GLN : amide:sc= -1.48! K(o=-1.5!,f=-2.3) USER MOD Single : A 61 LYS NZ :NH3+ 162:sc= -0.0647 (180deg=-0.385) USER MOD Single : A 68 ASN :FLIP amide:sc= -0.826 F(o=-1.5,f=-0.83) USER MOD Single : A 72 HIS : no HE2:sc= -2.64! C(o=-2.6!,f=-7.5!) USER MOD Single : A 81 GLN : amide:sc= 1.08 K(o=1.1,f=-5.4!) USER MOD Single : A 82 ASN : amide:sc= 1.15 K(o=1.1,f=-0.12) USER MOD Single : A 87 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0326) USER MOD Single : A 89 LYS NZ :NH3+ -118:sc= 0.682 (180deg=-1.03!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 165:sc= -0.0042 (180deg=-0.103) USER MOD Single : A 108 SER OG : rot 74:sc= 1.14 USER MOD Single : A 110 LYS NZ :NH3+ 169:sc= 1.23 (180deg=0.963) USER MOD Single : A 111 LYS NZ :NH3+ -168:sc= -0.0284 (180deg=-0.179) USER MOD Single : A 112 MET CE :methyl 161:sc= -0.115 (180deg=-0.658) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 MET CE :methyl -151:sc= -0.333 (180deg=-1.23) USER MOD Single : A 121 ASN : amide:sc= -0.0163! C(o=-0.016!,f=-12!) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 ASN : amide:sc= -0.0643 X(o=-0.064,f=-0.035) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 SER OG : rot 180:sc= -0.068 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -10.593 15.735 -11.299 1.00 0.76 N ATOM 2 CA GLN A 1 -9.881 15.183 -10.125 1.00 0.55 C ATOM 3 C GLN A 1 -8.756 14.272 -10.581 1.00 0.49 C ATOM 4 O GLN A 1 -8.807 13.705 -11.671 1.00 0.60 O ATOM 5 CB GLN A 1 -10.857 14.430 -9.206 1.00 0.52 C ATOM 6 CG GLN A 1 -10.419 13.033 -8.807 1.00 0.69 C ATOM 7 CD GLN A 1 -11.477 12.290 -8.024 1.00 0.71 C ATOM 8 OE1 GLN A 1 -12.262 11.490 -8.719 1.00 1.40 O flip ATOM 9 NE2 GLN A 1 -11.569 12.411 -6.803 1.00 0.88 N flip ATOM 0 H1 GLN A 1 -11.579 15.941 -11.042 1.00 0.76 H new ATOM 0 H2 GLN A 1 -10.126 16.611 -11.608 1.00 0.76 H new ATOM 0 H3 GLN A 1 -10.575 15.041 -12.074 1.00 0.76 H new ATOM 0 HA GLN A 1 -9.451 16.007 -9.555 1.00 0.55 H new ATOM 0 HB2 GLN A 1 -11.007 15.019 -8.301 1.00 0.52 H new ATOM 0 HB3 GLN A 1 -11.823 14.362 -9.706 1.00 0.52 H new ATOM 0 HG2 GLN A 1 -10.171 12.465 -9.703 1.00 0.69 H new ATOM 0 HG3 GLN A 1 -9.510 13.099 -8.209 1.00 0.69 H new ATOM 0 HE21 GLN A 1 -10.941 13.041 -6.304 1.00 0.88 H new ATOM 0 HE22 GLN A 1 -12.273 11.881 -6.290 1.00 0.88 H new ATOM 20 N LEU A 2 -7.743 14.125 -9.750 1.00 0.39 N ATOM 21 CA LEU A 2 -6.665 13.214 -10.058 1.00 0.36 C ATOM 22 C LEU A 2 -6.775 11.978 -9.194 1.00 0.26 C ATOM 23 O LEU A 2 -6.986 12.074 -7.985 1.00 0.27 O ATOM 24 CB LEU A 2 -5.308 13.881 -9.839 1.00 0.48 C ATOM 25 CG LEU A 2 -4.754 14.625 -11.047 1.00 0.85 C ATOM 26 CD1 LEU A 2 -3.454 15.332 -10.687 1.00 1.45 C ATOM 27 CD2 LEU A 2 -4.535 13.650 -12.192 1.00 1.32 C ATOM 0 H LEU A 2 -7.646 14.621 -8.864 1.00 0.39 H new ATOM 0 HA LEU A 2 -6.743 12.931 -11.108 1.00 0.36 H new ATOM 0 HB2 LEU A 2 -5.394 14.581 -9.008 1.00 0.48 H new ATOM 0 HB3 LEU A 2 -4.589 13.118 -9.540 1.00 0.48 H new ATOM 0 HG LEU A 2 -5.474 15.381 -11.361 1.00 0.85 H new ATOM 0 HD11 LEU A 2 -3.072 15.859 -11.562 1.00 1.45 H new ATOM 0 HD12 LEU A 2 -3.639 16.047 -9.885 1.00 1.45 H new ATOM 0 HD13 LEU A 2 -2.720 14.597 -10.356 1.00 1.45 H new ATOM 0 HD21 LEU A 2 -4.139 14.185 -13.055 1.00 1.32 H new ATOM 0 HD22 LEU A 2 -3.826 12.881 -11.885 1.00 1.32 H new ATOM 0 HD23 LEU A 2 -5.483 13.183 -12.459 1.00 1.32 H new ATOM 39 N GLN A 3 -6.649 10.821 -9.814 1.00 0.24 N ATOM 40 CA GLN A 3 -6.575 9.588 -9.067 1.00 0.22 C ATOM 41 C GLN A 3 -5.252 8.928 -9.355 1.00 0.22 C ATOM 42 O GLN A 3 -4.878 8.746 -10.515 1.00 0.25 O ATOM 43 CB GLN A 3 -7.679 8.605 -9.453 1.00 0.24 C ATOM 44 CG GLN A 3 -9.043 9.208 -9.739 1.00 0.26 C ATOM 45 CD GLN A 3 -10.165 8.218 -9.459 1.00 0.26 C ATOM 46 OE1 GLN A 3 -9.838 6.933 -9.464 1.00 0.33 O flip ATOM 47 NE2 GLN A 3 -11.303 8.605 -9.196 1.00 0.25 N flip ATOM 0 H GLN A 3 -6.596 10.712 -10.827 1.00 0.24 H new ATOM 0 HA GLN A 3 -6.690 9.838 -8.012 1.00 0.22 H new ATOM 0 HB2 GLN A 3 -7.355 8.056 -10.337 1.00 0.24 H new ATOM 0 HB3 GLN A 3 -7.788 7.878 -8.648 1.00 0.24 H new ATOM 0 HG2 GLN A 3 -9.183 10.099 -9.127 1.00 0.26 H new ATOM 0 HG3 GLN A 3 -9.089 9.526 -10.781 1.00 0.26 H new ATOM 0 HE21 GLN A 3 -11.517 9.602 -9.202 1.00 0.25 H new ATOM 0 HE22 GLN A 3 -12.033 7.928 -8.972 1.00 0.25 H new ATOM 56 N GLU A 4 -4.565 8.529 -8.316 1.00 0.22 N ATOM 57 CA GLU A 4 -3.309 7.840 -8.478 1.00 0.25 C ATOM 58 C GLU A 4 -3.414 6.480 -7.845 1.00 0.23 C ATOM 59 O GLU A 4 -3.667 6.360 -6.649 1.00 0.27 O ATOM 60 CB GLU A 4 -2.178 8.629 -7.846 1.00 0.30 C ATOM 61 CG GLU A 4 -2.211 10.092 -8.218 1.00 0.28 C ATOM 62 CD GLU A 4 -1.850 10.335 -9.672 1.00 0.51 C ATOM 63 OE1 GLU A 4 -0.657 10.235 -10.025 1.00 0.75 O ATOM 64 OE2 GLU A 4 -2.763 10.642 -10.471 1.00 0.88 O ATOM 0 H GLU A 4 -4.853 8.669 -7.348 1.00 0.22 H new ATOM 0 HA GLU A 4 -3.090 7.735 -9.541 1.00 0.25 H new ATOM 0 HB2 GLU A 4 -2.234 8.532 -6.762 1.00 0.30 H new ATOM 0 HB3 GLU A 4 -1.224 8.201 -8.155 1.00 0.30 H new ATOM 0 HG2 GLU A 4 -3.207 10.490 -8.024 1.00 0.28 H new ATOM 0 HG3 GLU A 4 -1.519 10.641 -7.579 1.00 0.28 H new ATOM 71 N LYS A 5 -3.229 5.460 -8.643 1.00 0.24 N ATOM 72 CA LYS A 5 -3.415 4.113 -8.157 1.00 0.25 C ATOM 73 C LYS A 5 -2.080 3.421 -8.099 1.00 0.25 C ATOM 74 O LYS A 5 -1.431 3.201 -9.122 1.00 0.30 O ATOM 75 CB LYS A 5 -4.369 3.289 -9.032 1.00 0.30 C ATOM 76 CG LYS A 5 -5.608 4.031 -9.530 1.00 0.40 C ATOM 77 CD LYS A 5 -5.312 4.954 -10.706 1.00 0.66 C ATOM 78 CE LYS A 5 -4.656 4.213 -11.863 1.00 1.21 C ATOM 79 NZ LYS A 5 -4.343 5.126 -12.992 1.00 1.43 N ATOM 0 H LYS A 5 -2.953 5.532 -9.622 1.00 0.24 H new ATOM 0 HA LYS A 5 -3.865 4.186 -7.167 1.00 0.25 H new ATOM 0 HB2 LYS A 5 -3.816 2.920 -9.896 1.00 0.30 H new ATOM 0 HB3 LYS A 5 -4.693 2.416 -8.465 1.00 0.30 H new ATOM 0 HG2 LYS A 5 -6.366 3.305 -9.826 1.00 0.40 H new ATOM 0 HG3 LYS A 5 -6.029 4.616 -8.712 1.00 0.40 H new ATOM 0 HD2 LYS A 5 -6.239 5.413 -11.049 1.00 0.66 H new ATOM 0 HD3 LYS A 5 -4.659 5.762 -10.377 1.00 0.66 H new ATOM 0 HE2 LYS A 5 -3.740 3.735 -11.516 1.00 1.21 H new ATOM 0 HE3 LYS A 5 -5.318 3.419 -12.209 1.00 1.21 H new ATOM 0 HZ1 LYS A 5 -3.897 4.587 -13.761 1.00 1.43 H new ATOM 0 HZ2 LYS A 5 -5.221 5.563 -13.339 1.00 1.43 H new ATOM 0 HZ3 LYS A 5 -3.691 5.869 -12.667 1.00 1.43 H new ATOM 93 N LEU A 6 -1.683 3.075 -6.905 1.00 0.23 N ATOM 94 CA LEU A 6 -0.425 2.422 -6.694 1.00 0.25 C ATOM 95 C LEU A 6 -0.695 0.969 -6.366 1.00 0.24 C ATOM 96 O LEU A 6 -1.090 0.633 -5.249 1.00 0.24 O ATOM 97 CB LEU A 6 0.329 3.137 -5.578 1.00 0.26 C ATOM 98 CG LEU A 6 0.381 4.658 -5.755 1.00 0.27 C ATOM 99 CD1 LEU A 6 0.885 5.331 -4.495 1.00 0.32 C ATOM 100 CD2 LEU A 6 1.259 5.025 -6.941 1.00 0.30 C ATOM 0 H LEU A 6 -2.222 3.238 -6.055 1.00 0.23 H new ATOM 0 HA LEU A 6 0.200 2.461 -7.586 1.00 0.25 H new ATOM 0 HB2 LEU A 6 -0.145 2.906 -4.624 1.00 0.26 H new ATOM 0 HB3 LEU A 6 1.347 2.749 -5.531 1.00 0.26 H new ATOM 0 HG LEU A 6 -0.631 5.013 -5.948 1.00 0.27 H new ATOM 0 HD11 LEU A 6 0.913 6.410 -4.645 1.00 0.32 H new ATOM 0 HD12 LEU A 6 0.217 5.097 -3.666 1.00 0.32 H new ATOM 0 HD13 LEU A 6 1.888 4.970 -4.266 1.00 0.32 H new ATOM 0 HD21 LEU A 6 1.285 6.109 -7.053 1.00 0.30 H new ATOM 0 HD22 LEU A 6 2.270 4.653 -6.774 1.00 0.30 H new ATOM 0 HD23 LEU A 6 0.852 4.577 -7.847 1.00 0.30 H new ATOM 112 N TYR A 7 -0.561 0.130 -7.377 1.00 0.27 N ATOM 113 CA TYR A 7 -0.888 -1.277 -7.253 1.00 0.27 C ATOM 114 C TYR A 7 -0.015 -1.983 -6.244 1.00 0.29 C ATOM 115 O TYR A 7 1.185 -1.717 -6.137 1.00 0.38 O ATOM 116 CB TYR A 7 -0.766 -1.983 -8.596 1.00 0.32 C ATOM 117 CG TYR A 7 -2.022 -1.927 -9.422 1.00 0.35 C ATOM 118 CD1 TYR A 7 -2.267 -0.862 -10.271 1.00 0.47 C ATOM 119 CD2 TYR A 7 -2.957 -2.949 -9.359 1.00 0.36 C ATOM 120 CE1 TYR A 7 -3.412 -0.811 -11.037 1.00 0.57 C ATOM 121 CE2 TYR A 7 -4.107 -2.910 -10.123 1.00 0.46 C ATOM 122 CZ TYR A 7 -4.330 -1.835 -10.962 1.00 0.56 C ATOM 123 OH TYR A 7 -5.470 -1.783 -11.733 1.00 0.69 O ATOM 0 H TYR A 7 -0.225 0.403 -8.301 1.00 0.27 H new ATOM 0 HA TYR A 7 -1.919 -1.322 -6.904 1.00 0.27 H new ATOM 0 HB2 TYR A 7 0.051 -1.533 -9.161 1.00 0.32 H new ATOM 0 HB3 TYR A 7 -0.499 -3.026 -8.426 1.00 0.32 H new ATOM 0 HD1 TYR A 7 -1.549 -0.057 -10.335 1.00 0.47 H new ATOM 0 HD2 TYR A 7 -2.783 -3.789 -8.702 1.00 0.36 H new ATOM 0 HE1 TYR A 7 -3.588 0.028 -11.693 1.00 0.57 H new ATOM 0 HE2 TYR A 7 -4.826 -3.713 -10.065 1.00 0.46 H new ATOM 0 HH TYR A 7 -6.015 -2.581 -11.566 1.00 0.69 H new ATOM 133 N VAL A 8 -0.633 -2.876 -5.509 1.00 0.24 N ATOM 134 CA VAL A 8 0.080 -3.757 -4.630 1.00 0.26 C ATOM 135 C VAL A 8 -0.486 -5.159 -4.829 1.00 0.26 C ATOM 136 O VAL A 8 -1.635 -5.444 -4.508 1.00 0.26 O ATOM 137 CB VAL A 8 -0.020 -3.258 -3.175 1.00 0.36 C ATOM 138 CG1 VAL A 8 -1.444 -3.319 -2.642 1.00 1.12 C ATOM 139 CG2 VAL A 8 0.947 -4.015 -2.300 1.00 1.27 C ATOM 0 H VAL A 8 -1.644 -3.009 -5.507 1.00 0.24 H new ATOM 0 HA VAL A 8 1.145 -3.778 -4.859 1.00 0.26 H new ATOM 0 HB VAL A 8 0.259 -2.205 -3.159 1.00 0.36 H new ATOM 0 HG11 VAL A 8 -1.463 -2.957 -1.614 1.00 1.12 H new ATOM 0 HG12 VAL A 8 -2.090 -2.694 -3.259 1.00 1.12 H new ATOM 0 HG13 VAL A 8 -1.800 -4.349 -2.671 1.00 1.12 H new ATOM 0 HG21 VAL A 8 0.868 -3.655 -1.274 1.00 1.27 H new ATOM 0 HG22 VAL A 8 0.709 -5.078 -2.330 1.00 1.27 H new ATOM 0 HG23 VAL A 8 1.963 -3.860 -2.662 1.00 1.27 H new ATOM 149 N PRO A 9 0.312 -6.058 -5.395 1.00 0.32 N ATOM 150 CA PRO A 9 -0.213 -7.285 -5.967 1.00 0.37 C ATOM 151 C PRO A 9 -0.665 -8.290 -4.917 1.00 0.34 C ATOM 152 O PRO A 9 0.125 -9.073 -4.391 1.00 0.35 O ATOM 153 CB PRO A 9 0.952 -7.816 -6.791 1.00 0.44 C ATOM 154 CG PRO A 9 2.167 -7.300 -6.104 1.00 0.43 C ATOM 155 CD PRO A 9 1.777 -5.969 -5.506 1.00 0.39 C ATOM 0 HA PRO A 9 -1.113 -7.107 -6.556 1.00 0.37 H new ATOM 0 HB2 PRO A 9 0.949 -8.905 -6.825 1.00 0.44 H new ATOM 0 HB3 PRO A 9 0.901 -7.465 -7.822 1.00 0.44 H new ATOM 0 HG2 PRO A 9 2.501 -7.992 -5.331 1.00 0.43 H new ATOM 0 HG3 PRO A 9 2.992 -7.185 -6.806 1.00 0.43 H new ATOM 0 HD2 PRO A 9 2.244 -5.813 -4.534 1.00 0.39 H new ATOM 0 HD3 PRO A 9 2.082 -5.138 -6.143 1.00 0.39 H new ATOM 163 N VAL A 10 -1.948 -8.247 -4.610 1.00 0.34 N ATOM 164 CA VAL A 10 -2.545 -9.196 -3.692 1.00 0.36 C ATOM 165 C VAL A 10 -2.525 -10.595 -4.305 1.00 0.43 C ATOM 166 O VAL A 10 -2.562 -11.603 -3.604 1.00 0.47 O ATOM 167 CB VAL A 10 -3.987 -8.789 -3.339 1.00 0.42 C ATOM 168 CG1 VAL A 10 -4.902 -8.895 -4.547 1.00 0.51 C ATOM 169 CG2 VAL A 10 -4.515 -9.611 -2.175 1.00 0.52 C ATOM 0 H VAL A 10 -2.600 -7.559 -4.987 1.00 0.34 H new ATOM 0 HA VAL A 10 -1.961 -9.200 -2.772 1.00 0.36 H new ATOM 0 HB VAL A 10 -3.971 -7.744 -3.030 1.00 0.42 H new ATOM 0 HG11 VAL A 10 -5.913 -8.601 -4.265 1.00 0.51 H new ATOM 0 HG12 VAL A 10 -4.540 -8.237 -5.337 1.00 0.51 H new ATOM 0 HG13 VAL A 10 -4.911 -9.924 -4.908 1.00 0.51 H new ATOM 0 HG21 VAL A 10 -5.535 -9.304 -1.946 1.00 0.52 H new ATOM 0 HG22 VAL A 10 -4.506 -10.668 -2.442 1.00 0.52 H new ATOM 0 HG23 VAL A 10 -3.883 -9.452 -1.301 1.00 0.52 H new ATOM 179 N LYS A 11 -2.455 -10.635 -5.633 1.00 0.49 N ATOM 180 CA LYS A 11 -2.277 -11.892 -6.357 1.00 0.58 C ATOM 181 C LYS A 11 -0.938 -12.506 -5.978 1.00 0.53 C ATOM 182 O LYS A 11 -0.766 -13.726 -5.955 1.00 0.60 O ATOM 183 CB LYS A 11 -2.300 -11.676 -7.874 1.00 0.72 C ATOM 184 CG LYS A 11 -3.609 -11.145 -8.430 1.00 1.27 C ATOM 185 CD LYS A 11 -3.594 -11.175 -9.951 1.00 1.76 C ATOM 186 CE LYS A 11 -4.866 -10.600 -10.549 1.00 2.24 C ATOM 187 NZ LYS A 11 -4.996 -9.149 -10.276 1.00 2.93 N ATOM 0 H LYS A 11 -2.519 -9.811 -6.231 1.00 0.49 H new ATOM 0 HA LYS A 11 -3.100 -12.553 -6.085 1.00 0.58 H new ATOM 0 HB2 LYS A 11 -1.503 -10.981 -8.138 1.00 0.72 H new ATOM 0 HB3 LYS A 11 -2.073 -12.623 -8.364 1.00 0.72 H new ATOM 0 HG2 LYS A 11 -4.439 -11.745 -8.057 1.00 1.27 H new ATOM 0 HG3 LYS A 11 -3.771 -10.125 -8.082 1.00 1.27 H new ATOM 0 HD2 LYS A 11 -2.736 -10.610 -10.315 1.00 1.76 H new ATOM 0 HD3 LYS A 11 -3.467 -12.203 -10.291 1.00 1.76 H new ATOM 0 HE2 LYS A 11 -4.870 -10.769 -11.626 1.00 2.24 H new ATOM 0 HE3 LYS A 11 -5.729 -11.125 -10.141 1.00 2.24 H new ATOM 0 HZ1 LYS A 11 -5.594 -8.711 -11.006 1.00 2.93 H new ATOM 0 HZ2 LYS A 11 -5.431 -9.009 -9.342 1.00 2.93 H new ATOM 0 HZ3 LYS A 11 -4.054 -8.708 -10.289 1.00 2.93 H new ATOM 201 N GLU A 12 0.008 -11.629 -5.682 1.00 0.45 N ATOM 202 CA GLU A 12 1.348 -12.031 -5.311 1.00 0.44 C ATOM 203 C GLU A 12 1.405 -12.470 -3.862 1.00 0.39 C ATOM 204 O GLU A 12 2.188 -13.345 -3.498 1.00 0.43 O ATOM 205 CB GLU A 12 2.318 -10.884 -5.540 1.00 0.46 C ATOM 206 CG GLU A 12 2.587 -10.620 -7.012 1.00 0.60 C ATOM 207 CD GLU A 12 3.062 -11.856 -7.744 1.00 0.77 C ATOM 208 OE1 GLU A 12 4.258 -12.201 -7.630 1.00 0.97 O ATOM 209 OE2 GLU A 12 2.246 -12.485 -8.447 1.00 0.96 O ATOM 0 H GLU A 12 -0.135 -10.619 -5.693 1.00 0.45 H new ATOM 0 HA GLU A 12 1.633 -12.877 -5.937 1.00 0.44 H new ATOM 0 HB2 GLU A 12 1.918 -9.980 -5.081 1.00 0.46 H new ATOM 0 HB3 GLU A 12 3.260 -11.106 -5.038 1.00 0.46 H new ATOM 0 HG2 GLU A 12 1.677 -10.249 -7.484 1.00 0.60 H new ATOM 0 HG3 GLU A 12 3.337 -9.835 -7.106 1.00 0.60 H new ATOM 216 N TYR A 13 0.577 -11.853 -3.038 1.00 0.34 N ATOM 217 CA TYR A 13 0.572 -12.144 -1.617 1.00 0.35 C ATOM 218 C TYR A 13 -0.832 -12.498 -1.155 1.00 0.39 C ATOM 219 O TYR A 13 -1.573 -11.642 -0.674 1.00 0.40 O ATOM 220 CB TYR A 13 1.106 -10.945 -0.832 1.00 0.34 C ATOM 221 CG TYR A 13 2.384 -10.391 -1.409 1.00 0.35 C ATOM 222 CD1 TYR A 13 3.611 -10.912 -1.028 1.00 0.44 C ATOM 223 CD2 TYR A 13 2.368 -9.338 -2.312 1.00 0.34 C ATOM 224 CE1 TYR A 13 4.788 -10.404 -1.528 1.00 0.48 C ATOM 225 CE2 TYR A 13 3.542 -8.825 -2.824 1.00 0.40 C ATOM 226 CZ TYR A 13 4.723 -9.385 -2.513 1.00 0.46 C ATOM 227 OH TYR A 13 5.922 -8.846 -2.934 1.00 0.53 O ATOM 0 H TYR A 13 -0.100 -11.148 -3.329 1.00 0.34 H new ATOM 0 HA TYR A 13 1.222 -12.999 -1.432 1.00 0.35 H new ATOM 0 HB2 TYR A 13 0.350 -10.160 -0.817 1.00 0.34 H new ATOM 0 HB3 TYR A 13 1.278 -11.242 0.203 1.00 0.34 H new ATOM 0 HD1 TYR A 13 3.644 -11.732 -0.326 1.00 0.44 H new ATOM 0 HD2 TYR A 13 1.423 -8.914 -2.619 1.00 0.34 H new ATOM 0 HE1 TYR A 13 5.741 -10.773 -1.178 1.00 0.48 H new ATOM 0 HE2 TYR A 13 3.511 -7.967 -3.479 1.00 0.40 H new ATOM 0 HH TYR A 13 5.752 -8.158 -3.611 1.00 0.53 H new ATOM 237 N PRO A 14 -1.228 -13.767 -1.332 1.00 0.47 N ATOM 238 CA PRO A 14 -2.561 -14.236 -0.959 1.00 0.55 C ATOM 239 C PRO A 14 -2.751 -14.277 0.550 1.00 0.59 C ATOM 240 O PRO A 14 -3.880 -14.259 1.045 1.00 0.68 O ATOM 241 CB PRO A 14 -2.624 -15.648 -1.546 1.00 0.64 C ATOM 242 CG PRO A 14 -1.204 -16.088 -1.633 1.00 0.75 C ATOM 243 CD PRO A 14 -0.399 -14.848 -1.901 1.00 0.52 C ATOM 0 HA PRO A 14 -3.345 -13.576 -1.330 1.00 0.55 H new ATOM 0 HB2 PRO A 14 -3.206 -16.315 -0.910 1.00 0.64 H new ATOM 0 HB3 PRO A 14 -3.099 -15.648 -2.527 1.00 0.64 H new ATOM 0 HG2 PRO A 14 -0.887 -16.566 -0.706 1.00 0.75 H new ATOM 0 HG3 PRO A 14 -1.071 -16.819 -2.430 1.00 0.75 H new ATOM 0 HD2 PRO A 14 0.580 -14.895 -1.425 1.00 0.52 H new ATOM 0 HD3 PRO A 14 -0.228 -14.703 -2.968 1.00 0.52 H new ATOM 251 N ASP A 15 -1.642 -14.316 1.278 1.00 0.57 N ATOM 252 CA ASP A 15 -1.685 -14.460 2.725 1.00 0.67 C ATOM 253 C ASP A 15 -1.473 -13.112 3.406 1.00 0.62 C ATOM 254 O ASP A 15 -1.726 -12.962 4.603 1.00 0.76 O ATOM 255 CB ASP A 15 -0.611 -15.453 3.181 1.00 0.78 C ATOM 256 CG ASP A 15 -0.796 -15.909 4.615 1.00 1.64 C ATOM 257 OD1 ASP A 15 -1.590 -16.843 4.854 1.00 2.43 O ATOM 258 OD2 ASP A 15 -0.145 -15.324 5.509 1.00 2.15 O ATOM 0 H ASP A 15 -0.702 -14.250 0.888 1.00 0.57 H new ATOM 0 HA ASP A 15 -2.667 -14.838 3.008 1.00 0.67 H new ATOM 0 HB2 ASP A 15 -0.626 -16.323 2.524 1.00 0.78 H new ATOM 0 HB3 ASP A 15 0.371 -14.991 3.076 1.00 0.78 H new ATOM 263 N PHE A 16 -1.035 -12.124 2.636 1.00 0.48 N ATOM 264 CA PHE A 16 -0.779 -10.805 3.187 1.00 0.43 C ATOM 265 C PHE A 16 -1.951 -9.880 2.924 1.00 0.37 C ATOM 266 O PHE A 16 -2.218 -9.482 1.791 1.00 0.36 O ATOM 267 CB PHE A 16 0.506 -10.195 2.632 1.00 0.41 C ATOM 268 CG PHE A 16 1.006 -9.064 3.484 1.00 0.40 C ATOM 269 CD1 PHE A 16 1.603 -9.324 4.706 1.00 0.52 C ATOM 270 CD2 PHE A 16 0.868 -7.749 3.078 1.00 0.34 C ATOM 271 CE1 PHE A 16 2.052 -8.295 5.504 1.00 0.56 C ATOM 272 CE2 PHE A 16 1.319 -6.716 3.871 1.00 0.36 C ATOM 273 CZ PHE A 16 1.910 -6.989 5.086 1.00 0.49 C ATOM 0 H PHE A 16 -0.852 -12.212 1.636 1.00 0.48 H new ATOM 0 HA PHE A 16 -0.652 -10.924 4.263 1.00 0.43 H new ATOM 0 HB2 PHE A 16 1.274 -10.966 2.566 1.00 0.41 H new ATOM 0 HB3 PHE A 16 0.328 -9.834 1.619 1.00 0.41 H new ATOM 0 HD1 PHE A 16 1.718 -10.345 5.037 1.00 0.52 H new ATOM 0 HD2 PHE A 16 0.402 -7.529 2.129 1.00 0.34 H new ATOM 0 HE1 PHE A 16 2.515 -8.511 6.456 1.00 0.56 H new ATOM 0 HE2 PHE A 16 1.209 -5.694 3.541 1.00 0.36 H new ATOM 0 HZ PHE A 16 2.261 -6.181 5.710 1.00 0.49 H new ATOM 283 N ASN A 17 -2.645 -9.546 3.987 1.00 0.37 N ATOM 284 CA ASN A 17 -3.780 -8.652 3.923 1.00 0.35 C ATOM 285 C ASN A 17 -3.325 -7.203 3.872 1.00 0.30 C ATOM 286 O ASN A 17 -3.136 -6.577 4.911 1.00 0.30 O ATOM 287 CB ASN A 17 -4.681 -8.861 5.144 1.00 0.45 C ATOM 288 CG ASN A 17 -3.895 -9.241 6.399 1.00 0.74 C ATOM 289 OD1 ASN A 17 -3.777 -10.421 6.732 1.00 1.29 O ATOM 290 ND2 ASN A 17 -3.308 -8.258 7.075 1.00 0.71 N ATOM 0 H ASN A 17 -2.438 -9.888 4.925 1.00 0.37 H new ATOM 0 HA ASN A 17 -4.338 -8.876 3.014 1.00 0.35 H new ATOM 0 HB2 ASN A 17 -5.244 -7.948 5.336 1.00 0.45 H new ATOM 0 HB3 ASN A 17 -5.408 -9.643 4.925 1.00 0.45 H new ATOM 0 HD21 ASN A 17 -2.740 -8.471 7.895 1.00 0.71 H new ATOM 0 HD22 ASN A 17 -3.425 -7.291 6.773 1.00 0.71 H new ATOM 297 N PHE A 18 -3.134 -6.670 2.669 1.00 0.28 N ATOM 298 CA PHE A 18 -2.723 -5.280 2.524 1.00 0.26 C ATOM 299 C PHE A 18 -3.694 -4.320 3.197 1.00 0.27 C ATOM 300 O PHE A 18 -3.280 -3.308 3.729 1.00 0.27 O ATOM 301 CB PHE A 18 -2.549 -4.911 1.058 1.00 0.24 C ATOM 302 CG PHE A 18 -1.354 -5.563 0.450 1.00 0.23 C ATOM 303 CD1 PHE A 18 -0.103 -5.269 0.946 1.00 0.24 C ATOM 304 CD2 PHE A 18 -1.469 -6.463 -0.602 1.00 0.23 C ATOM 305 CE1 PHE A 18 1.019 -5.849 0.414 1.00 0.26 C ATOM 306 CE2 PHE A 18 -0.341 -7.053 -1.144 1.00 0.25 C ATOM 307 CZ PHE A 18 0.901 -6.740 -0.630 1.00 0.25 C ATOM 0 H PHE A 18 -3.256 -7.174 1.790 1.00 0.28 H new ATOM 0 HA PHE A 18 -1.761 -5.183 3.028 1.00 0.26 H new ATOM 0 HB2 PHE A 18 -3.441 -5.203 0.504 1.00 0.24 H new ATOM 0 HB3 PHE A 18 -2.456 -3.829 0.966 1.00 0.24 H new ATOM 0 HD1 PHE A 18 -0.005 -4.572 1.765 1.00 0.24 H new ATOM 0 HD2 PHE A 18 -2.444 -6.703 -0.999 1.00 0.23 H new ATOM 0 HE1 PHE A 18 1.994 -5.608 0.812 1.00 0.26 H new ATOM 0 HE2 PHE A 18 -0.432 -7.752 -1.962 1.00 0.25 H new ATOM 0 HZ PHE A 18 1.786 -7.196 -1.049 1.00 0.25 H new ATOM 317 N VAL A 19 -4.977 -4.631 3.192 1.00 0.31 N ATOM 318 CA VAL A 19 -5.945 -3.802 3.884 1.00 0.32 C ATOM 319 C VAL A 19 -5.773 -3.895 5.396 1.00 0.29 C ATOM 320 O VAL A 19 -5.653 -2.871 6.066 1.00 0.27 O ATOM 321 CB VAL A 19 -7.376 -4.158 3.465 1.00 0.41 C ATOM 322 CG1 VAL A 19 -7.642 -3.626 2.066 1.00 1.34 C ATOM 323 CG2 VAL A 19 -7.609 -5.663 3.517 1.00 1.13 C ATOM 0 H VAL A 19 -5.370 -5.445 2.720 1.00 0.31 H new ATOM 0 HA VAL A 19 -5.762 -2.767 3.595 1.00 0.32 H new ATOM 0 HB VAL A 19 -8.069 -3.694 4.167 1.00 0.41 H new ATOM 0 HG11 VAL A 19 -8.659 -3.879 1.768 1.00 1.34 H new ATOM 0 HG12 VAL A 19 -7.521 -2.543 2.059 1.00 1.34 H new ATOM 0 HG13 VAL A 19 -6.937 -4.074 1.366 1.00 1.34 H new ATOM 0 HG21 VAL A 19 -8.633 -5.883 3.214 1.00 1.13 H new ATOM 0 HG22 VAL A 19 -6.915 -6.162 2.841 1.00 1.13 H new ATOM 0 HG23 VAL A 19 -7.446 -6.022 4.533 1.00 1.13 H new ATOM 333 N GLY A 20 -5.705 -5.112 5.923 1.00 0.33 N ATOM 334 CA GLY A 20 -5.437 -5.290 7.342 1.00 0.35 C ATOM 335 C GLY A 20 -4.063 -4.763 7.719 1.00 0.32 C ATOM 336 O GLY A 20 -3.738 -4.611 8.893 1.00 0.38 O ATOM 0 H GLY A 20 -5.830 -5.977 5.397 1.00 0.33 H new ATOM 0 HA2 GLY A 20 -6.199 -4.773 7.925 1.00 0.35 H new ATOM 0 HA3 GLY A 20 -5.505 -6.348 7.596 1.00 0.35 H new ATOM 340 N ARG A 21 -3.261 -4.501 6.701 1.00 0.29 N ATOM 341 CA ARG A 21 -1.937 -3.935 6.867 1.00 0.32 C ATOM 342 C ARG A 21 -1.979 -2.407 6.790 1.00 0.31 C ATOM 343 O ARG A 21 -1.341 -1.721 7.589 1.00 0.39 O ATOM 344 CB ARG A 21 -1.000 -4.505 5.784 1.00 0.33 C ATOM 345 CG ARG A 21 0.012 -3.502 5.234 1.00 0.56 C ATOM 346 CD ARG A 21 1.328 -3.548 5.988 1.00 0.52 C ATOM 347 NE ARG A 21 1.136 -3.775 7.421 1.00 1.51 N ATOM 348 CZ ARG A 21 1.842 -4.649 8.134 1.00 2.26 C ATOM 349 NH1 ARG A 21 2.800 -5.360 7.558 1.00 2.34 N ATOM 350 NH2 ARG A 21 1.578 -4.831 9.421 1.00 3.20 N ATOM 0 H ARG A 21 -3.514 -4.677 5.729 1.00 0.29 H new ATOM 0 HA ARG A 21 -1.559 -4.206 7.853 1.00 0.32 H new ATOM 0 HB2 ARG A 21 -0.461 -5.356 6.199 1.00 0.33 H new ATOM 0 HB3 ARG A 21 -1.605 -4.882 4.959 1.00 0.33 H new ATOM 0 HG2 ARG A 21 0.191 -3.710 4.179 1.00 0.56 H new ATOM 0 HG3 ARG A 21 -0.405 -2.497 5.294 1.00 0.56 H new ATOM 0 HD2 ARG A 21 1.953 -4.341 5.577 1.00 0.52 H new ATOM 0 HD3 ARG A 21 1.863 -2.610 5.839 1.00 0.52 H new ATOM 0 HE ARG A 21 0.419 -3.231 7.901 1.00 1.51 H new ATOM 0 HH11 ARG A 21 2.998 -5.238 6.565 1.00 2.34 H new ATOM 0 HH12 ARG A 21 3.339 -6.029 8.108 1.00 2.34 H new ATOM 0 HH21 ARG A 21 0.831 -4.300 9.868 1.00 3.20 H new ATOM 0 HH22 ARG A 21 2.122 -5.502 9.963 1.00 3.20 H new ATOM 364 N ILE A 22 -2.744 -1.889 5.838 1.00 0.27 N ATOM 365 CA ILE A 22 -2.746 -0.463 5.534 1.00 0.31 C ATOM 366 C ILE A 22 -3.722 0.306 6.408 1.00 0.28 C ATOM 367 O ILE A 22 -3.348 1.259 7.088 1.00 0.32 O ATOM 368 CB ILE A 22 -3.121 -0.231 4.048 1.00 0.40 C ATOM 369 CG1 ILE A 22 -1.976 -0.654 3.119 1.00 0.51 C ATOM 370 CG2 ILE A 22 -3.527 1.214 3.797 1.00 0.52 C ATOM 371 CD1 ILE A 22 -0.649 -0.015 3.449 1.00 0.99 C ATOM 0 H ILE A 22 -3.377 -2.440 5.258 1.00 0.27 H new ATOM 0 HA ILE A 22 -1.739 -0.096 5.733 1.00 0.31 H new ATOM 0 HB ILE A 22 -3.984 -0.858 3.823 1.00 0.40 H new ATOM 0 HG12 ILE A 22 -1.867 -1.738 3.164 1.00 0.51 H new ATOM 0 HG13 ILE A 22 -2.243 -0.403 2.093 1.00 0.51 H new ATOM 0 HG21 ILE A 22 -3.784 1.342 2.745 1.00 0.52 H new ATOM 0 HG22 ILE A 22 -4.391 1.462 4.414 1.00 0.52 H new ATOM 0 HG23 ILE A 22 -2.698 1.874 4.051 1.00 0.52 H new ATOM 0 HD11 ILE A 22 0.108 -0.365 2.747 1.00 0.99 H new ATOM 0 HD12 ILE A 22 -0.739 1.069 3.375 1.00 0.99 H new ATOM 0 HD13 ILE A 22 -0.357 -0.287 4.463 1.00 0.99 H new ATOM 383 N LEU A 23 -4.965 -0.128 6.412 1.00 0.30 N ATOM 384 CA LEU A 23 -6.003 0.590 7.125 1.00 0.35 C ATOM 385 C LEU A 23 -6.281 -0.067 8.466 1.00 0.37 C ATOM 386 O LEU A 23 -6.853 0.554 9.364 1.00 0.47 O ATOM 387 CB LEU A 23 -7.268 0.690 6.261 1.00 0.59 C ATOM 388 CG LEU A 23 -7.686 -0.598 5.549 1.00 0.68 C ATOM 389 CD1 LEU A 23 -8.391 -1.545 6.501 1.00 1.69 C ATOM 390 CD2 LEU A 23 -8.566 -0.288 4.354 1.00 1.15 C ATOM 0 H LEU A 23 -5.281 -0.971 5.932 1.00 0.30 H new ATOM 0 HA LEU A 23 -5.661 1.605 7.327 1.00 0.35 H new ATOM 0 HB2 LEU A 23 -8.093 1.019 6.893 1.00 0.59 H new ATOM 0 HB3 LEU A 23 -7.113 1.465 5.510 1.00 0.59 H new ATOM 0 HG LEU A 23 -6.782 -1.092 5.192 1.00 0.68 H new ATOM 0 HD11 LEU A 23 -8.676 -2.452 5.967 1.00 1.69 H new ATOM 0 HD12 LEU A 23 -7.721 -1.802 7.321 1.00 1.69 H new ATOM 0 HD13 LEU A 23 -9.283 -1.063 6.900 1.00 1.69 H new ATOM 0 HD21 LEU A 23 -8.852 -1.218 3.862 1.00 1.15 H new ATOM 0 HD22 LEU A 23 -9.461 0.236 4.688 1.00 1.15 H new ATOM 0 HD23 LEU A 23 -8.018 0.340 3.652 1.00 1.15 H new ATOM 402 N GLY A 24 -5.845 -1.319 8.594 1.00 0.35 N ATOM 403 CA GLY A 24 -6.053 -2.071 9.814 1.00 0.45 C ATOM 404 C GLY A 24 -5.530 -1.347 11.046 1.00 0.56 C ATOM 405 O GLY A 24 -6.316 -0.819 11.834 1.00 0.70 O ATOM 0 H GLY A 24 -5.346 -1.827 7.864 1.00 0.35 H new ATOM 0 HA2 GLY A 24 -7.118 -2.268 9.938 1.00 0.45 H new ATOM 0 HA3 GLY A 24 -5.558 -3.038 9.729 1.00 0.45 H new ATOM 409 N PRO A 25 -4.204 -1.311 11.251 1.00 0.59 N ATOM 410 CA PRO A 25 -3.601 -0.600 12.370 1.00 0.74 C ATOM 411 C PRO A 25 -3.221 0.842 12.026 1.00 0.75 C ATOM 412 O PRO A 25 -2.974 1.657 12.913 1.00 0.90 O ATOM 413 CB PRO A 25 -2.350 -1.430 12.640 1.00 0.85 C ATOM 414 CG PRO A 25 -1.941 -1.955 11.300 1.00 0.77 C ATOM 415 CD PRO A 25 -3.185 -2.000 10.438 1.00 0.57 C ATOM 0 HA PRO A 25 -4.280 -0.507 13.217 1.00 0.74 H new ATOM 0 HB2 PRO A 25 -1.561 -0.823 13.084 1.00 0.85 H new ATOM 0 HB3 PRO A 25 -2.557 -2.242 13.336 1.00 0.85 H new ATOM 0 HG2 PRO A 25 -1.184 -1.313 10.850 1.00 0.77 H new ATOM 0 HG3 PRO A 25 -1.502 -2.948 11.394 1.00 0.77 H new ATOM 0 HD2 PRO A 25 -3.028 -1.497 9.484 1.00 0.57 H new ATOM 0 HD3 PRO A 25 -3.479 -3.025 10.214 1.00 0.57 H new ATOM 423 N ARG A 26 -3.167 1.151 10.737 1.00 0.64 N ATOM 424 CA ARG A 26 -2.685 2.452 10.294 1.00 0.71 C ATOM 425 C ARG A 26 -3.769 3.217 9.521 1.00 0.59 C ATOM 426 O ARG A 26 -3.469 4.152 8.785 1.00 0.63 O ATOM 427 CB ARG A 26 -1.421 2.261 9.439 1.00 0.88 C ATOM 428 CG ARG A 26 -0.660 3.547 9.147 1.00 1.34 C ATOM 429 CD ARG A 26 -0.191 4.229 10.424 1.00 1.33 C ATOM 430 NE ARG A 26 0.827 3.446 11.128 1.00 1.92 N ATOM 431 CZ ARG A 26 0.933 3.378 12.458 1.00 2.49 C ATOM 432 NH1 ARG A 26 0.095 4.060 13.231 1.00 2.67 N ATOM 433 NH2 ARG A 26 1.897 2.646 13.005 1.00 3.43 N ATOM 0 H ARG A 26 -3.449 0.523 9.984 1.00 0.64 H new ATOM 0 HA ARG A 26 -2.436 3.053 11.168 1.00 0.71 H new ATOM 0 HB2 ARG A 26 -0.754 1.566 9.949 1.00 0.88 H new ATOM 0 HB3 ARG A 26 -1.703 1.797 8.494 1.00 0.88 H new ATOM 0 HG2 ARG A 26 0.201 3.325 8.517 1.00 1.34 H new ATOM 0 HG3 ARG A 26 -1.299 4.228 8.585 1.00 1.34 H new ATOM 0 HD2 ARG A 26 0.213 5.212 10.182 1.00 1.33 H new ATOM 0 HD3 ARG A 26 -1.044 4.388 11.083 1.00 1.33 H new ATOM 0 HE ARG A 26 1.497 2.920 10.568 1.00 1.92 H new ATOM 0 HH11 ARG A 26 -0.632 4.638 12.809 1.00 2.67 H new ATOM 0 HH12 ARG A 26 0.179 4.006 14.246 1.00 2.67 H new ATOM 0 HH21 ARG A 26 2.552 2.139 12.410 1.00 3.43 H new ATOM 0 HH22 ARG A 26 1.982 2.591 14.020 1.00 3.43 H new ATOM 447 N GLY A 27 -5.035 2.840 9.712 1.00 0.54 N ATOM 448 CA GLY A 27 -6.136 3.523 9.033 1.00 0.56 C ATOM 449 C GLY A 27 -6.135 5.029 9.251 1.00 0.58 C ATOM 450 O GLY A 27 -6.627 5.794 8.411 1.00 0.56 O ATOM 0 H GLY A 27 -5.320 2.075 10.323 1.00 0.54 H new ATOM 0 HA2 GLY A 27 -6.078 3.317 7.964 1.00 0.56 H new ATOM 0 HA3 GLY A 27 -7.082 3.112 9.386 1.00 0.56 H new ATOM 454 N LEU A 28 -5.576 5.455 10.378 1.00 0.64 N ATOM 455 CA LEU A 28 -5.466 6.875 10.694 1.00 0.68 C ATOM 456 C LEU A 28 -4.683 7.617 9.617 1.00 0.58 C ATOM 457 O LEU A 28 -4.950 8.787 9.349 1.00 0.55 O ATOM 458 CB LEU A 28 -4.801 7.087 12.062 1.00 0.82 C ATOM 459 CG LEU A 28 -5.690 6.842 13.289 1.00 1.46 C ATOM 460 CD1 LEU A 28 -6.966 7.667 13.197 1.00 1.96 C ATOM 461 CD2 LEU A 28 -6.013 5.363 13.448 1.00 2.25 C ATOM 0 H LEU A 28 -5.191 4.835 11.091 1.00 0.64 H new ATOM 0 HA LEU A 28 -6.477 7.280 10.732 1.00 0.68 H new ATOM 0 HB2 LEU A 28 -3.935 6.428 12.128 1.00 0.82 H new ATOM 0 HB3 LEU A 28 -4.428 8.110 12.107 1.00 0.82 H new ATOM 0 HG LEU A 28 -5.138 7.158 14.174 1.00 1.46 H new ATOM 0 HD11 LEU A 28 -7.584 7.481 14.075 1.00 1.96 H new ATOM 0 HD12 LEU A 28 -6.712 8.726 13.150 1.00 1.96 H new ATOM 0 HD13 LEU A 28 -7.517 7.386 12.299 1.00 1.96 H new ATOM 0 HD21 LEU A 28 -6.644 5.221 14.325 1.00 2.25 H new ATOM 0 HD22 LEU A 28 -6.539 5.008 12.562 1.00 2.25 H new ATOM 0 HD23 LEU A 28 -5.088 4.800 13.571 1.00 2.25 H new ATOM 473 N THR A 29 -3.740 6.924 8.979 1.00 0.56 N ATOM 474 CA THR A 29 -2.926 7.537 7.939 1.00 0.52 C ATOM 475 C THR A 29 -3.794 7.890 6.731 1.00 0.42 C ATOM 476 O THR A 29 -3.629 8.946 6.137 1.00 0.41 O ATOM 477 CB THR A 29 -1.729 6.632 7.524 1.00 0.58 C ATOM 478 OG1 THR A 29 -0.661 7.432 7.005 1.00 0.92 O ATOM 479 CG2 THR A 29 -2.121 5.595 6.475 1.00 0.48 C ATOM 0 H THR A 29 -3.525 5.945 9.165 1.00 0.56 H new ATOM 0 HA THR A 29 -2.500 8.454 8.346 1.00 0.52 H new ATOM 0 HB THR A 29 -1.408 6.104 8.422 1.00 0.58 H new ATOM 0 HG1 THR A 29 0.087 6.853 6.749 1.00 0.92 H new ATOM 0 HG21 THR A 29 -1.252 4.989 6.219 1.00 0.48 H new ATOM 0 HG22 THR A 29 -2.906 4.953 6.874 1.00 0.48 H new ATOM 0 HG23 THR A 29 -2.486 6.101 5.581 1.00 0.48 H new ATOM 487 N ALA A 30 -4.765 7.034 6.415 1.00 0.39 N ATOM 488 CA ALA A 30 -5.656 7.282 5.289 1.00 0.34 C ATOM 489 C ALA A 30 -6.491 8.526 5.554 1.00 0.32 C ATOM 490 O ALA A 30 -6.765 9.321 4.649 1.00 0.28 O ATOM 491 CB ALA A 30 -6.549 6.074 5.040 1.00 0.38 C ATOM 0 H ALA A 30 -4.952 6.168 6.921 1.00 0.39 H new ATOM 0 HA ALA A 30 -5.057 7.449 4.394 1.00 0.34 H new ATOM 0 HB1 ALA A 30 -7.208 6.277 4.196 1.00 0.38 H new ATOM 0 HB2 ALA A 30 -5.931 5.204 4.817 1.00 0.38 H new ATOM 0 HB3 ALA A 30 -7.148 5.875 5.928 1.00 0.38 H new ATOM 497 N LYS A 31 -6.865 8.702 6.815 1.00 0.38 N ATOM 498 CA LYS A 31 -7.605 9.875 7.233 1.00 0.41 C ATOM 499 C LYS A 31 -6.722 11.110 7.168 1.00 0.38 C ATOM 500 O LYS A 31 -7.199 12.211 6.905 1.00 0.39 O ATOM 501 CB LYS A 31 -8.181 9.670 8.631 1.00 0.49 C ATOM 502 CG LYS A 31 -9.425 8.792 8.625 1.00 1.16 C ATOM 503 CD LYS A 31 -9.992 8.579 10.018 1.00 1.63 C ATOM 504 CE LYS A 31 -11.390 7.971 9.960 1.00 2.36 C ATOM 505 NZ LYS A 31 -11.430 6.709 9.170 1.00 3.09 N ATOM 0 H LYS A 31 -6.664 8.041 7.566 1.00 0.38 H new ATOM 0 HA LYS A 31 -8.440 10.029 6.549 1.00 0.41 H new ATOM 0 HB2 LYS A 31 -7.423 9.217 9.270 1.00 0.49 H new ATOM 0 HB3 LYS A 31 -8.426 10.639 9.065 1.00 0.49 H new ATOM 0 HG2 LYS A 31 -10.186 9.249 7.992 1.00 1.16 H new ATOM 0 HG3 LYS A 31 -9.182 7.826 8.183 1.00 1.16 H new ATOM 0 HD2 LYS A 31 -9.331 7.924 10.586 1.00 1.63 H new ATOM 0 HD3 LYS A 31 -10.029 9.531 10.548 1.00 1.63 H new ATOM 0 HE2 LYS A 31 -11.739 7.773 10.973 1.00 2.36 H new ATOM 0 HE3 LYS A 31 -12.079 8.693 9.521 1.00 2.36 H new ATOM 0 HZ1 LYS A 31 -12.347 6.239 9.313 1.00 3.09 H new ATOM 0 HZ2 LYS A 31 -11.306 6.927 8.161 1.00 3.09 H new ATOM 0 HZ3 LYS A 31 -10.665 6.078 9.484 1.00 3.09 H new ATOM 519 N GLN A 32 -5.430 10.925 7.407 1.00 0.38 N ATOM 520 CA GLN A 32 -4.480 12.022 7.326 1.00 0.40 C ATOM 521 C GLN A 32 -4.391 12.548 5.906 1.00 0.32 C ATOM 522 O GLN A 32 -4.393 13.753 5.690 1.00 0.33 O ATOM 523 CB GLN A 32 -3.093 11.588 7.811 1.00 0.47 C ATOM 524 CG GLN A 32 -3.053 11.276 9.294 1.00 0.55 C ATOM 525 CD GLN A 32 -3.658 12.393 10.110 1.00 0.63 C ATOM 526 OE1 GLN A 32 -4.964 12.340 10.289 1.00 0.72 O flip ATOM 527 NE2 GLN A 32 -2.966 13.301 10.562 1.00 0.64 N flip ATOM 0 H GLN A 32 -5.018 10.026 7.658 1.00 0.38 H new ATOM 0 HA GLN A 32 -4.838 12.820 7.977 1.00 0.40 H new ATOM 0 HB2 GLN A 32 -2.778 10.707 7.252 1.00 0.47 H new ATOM 0 HB3 GLN A 32 -2.374 12.378 7.592 1.00 0.47 H new ATOM 0 HG2 GLN A 32 -3.593 10.349 9.487 1.00 0.55 H new ATOM 0 HG3 GLN A 32 -2.021 11.114 9.605 1.00 0.55 H new ATOM 0 HE21 GLN A 32 -1.959 13.304 10.400 1.00 0.64 H new ATOM 0 HE22 GLN A 32 -3.398 14.053 11.099 1.00 0.64 H new ATOM 536 N LEU A 33 -4.344 11.654 4.936 1.00 0.28 N ATOM 537 CA LEU A 33 -4.244 12.082 3.553 1.00 0.25 C ATOM 538 C LEU A 33 -5.469 12.892 3.141 1.00 0.21 C ATOM 539 O LEU A 33 -5.341 13.950 2.539 1.00 0.22 O ATOM 540 CB LEU A 33 -4.030 10.890 2.607 1.00 0.28 C ATOM 541 CG LEU A 33 -2.582 10.378 2.514 1.00 0.72 C ATOM 542 CD1 LEU A 33 -2.119 9.788 3.834 1.00 1.20 C ATOM 543 CD2 LEU A 33 -2.431 9.350 1.404 1.00 1.61 C ATOM 0 H LEU A 33 -4.373 10.644 5.075 1.00 0.28 H new ATOM 0 HA LEU A 33 -3.369 12.727 3.473 1.00 0.25 H new ATOM 0 HB2 LEU A 33 -4.668 10.069 2.933 1.00 0.28 H new ATOM 0 HB3 LEU A 33 -4.362 11.175 1.609 1.00 0.28 H new ATOM 0 HG LEU A 33 -1.952 11.236 2.280 1.00 0.72 H new ATOM 0 HD11 LEU A 33 -1.092 9.435 3.735 1.00 1.20 H new ATOM 0 HD12 LEU A 33 -2.167 10.551 4.611 1.00 1.20 H new ATOM 0 HD13 LEU A 33 -2.765 8.953 4.106 1.00 1.20 H new ATOM 0 HD21 LEU A 33 -1.397 9.007 1.364 1.00 1.61 H new ATOM 0 HD22 LEU A 33 -3.087 8.502 1.602 1.00 1.61 H new ATOM 0 HD23 LEU A 33 -2.701 9.803 0.450 1.00 1.61 H new ATOM 555 N GLU A 34 -6.658 12.443 3.506 1.00 0.21 N ATOM 556 CA GLU A 34 -7.855 13.167 3.096 1.00 0.25 C ATOM 557 C GLU A 34 -8.012 14.474 3.869 1.00 0.29 C ATOM 558 O GLU A 34 -8.266 15.522 3.280 1.00 0.33 O ATOM 559 CB GLU A 34 -9.118 12.311 3.220 1.00 0.31 C ATOM 560 CG GLU A 34 -9.318 11.676 4.584 1.00 0.38 C ATOM 561 CD GLU A 34 -10.733 11.172 4.782 1.00 0.54 C ATOM 562 OE1 GLU A 34 -11.064 10.089 4.253 1.00 0.63 O ATOM 563 OE2 GLU A 34 -11.522 11.848 5.473 1.00 0.87 O ATOM 0 H GLU A 34 -6.822 11.608 4.068 1.00 0.21 H new ATOM 0 HA GLU A 34 -7.725 13.409 2.041 1.00 0.25 H new ATOM 0 HB2 GLU A 34 -9.985 12.931 2.991 1.00 0.31 H new ATOM 0 HB3 GLU A 34 -9.082 11.523 2.468 1.00 0.31 H new ATOM 0 HG2 GLU A 34 -8.620 10.847 4.702 1.00 0.38 H new ATOM 0 HG3 GLU A 34 -9.082 12.405 5.360 1.00 0.38 H new ATOM 570 N ALA A 35 -7.863 14.409 5.184 1.00 0.30 N ATOM 571 CA ALA A 35 -8.051 15.580 6.028 1.00 0.36 C ATOM 572 C ALA A 35 -6.972 16.637 5.803 1.00 0.35 C ATOM 573 O ALA A 35 -7.263 17.831 5.739 1.00 0.42 O ATOM 574 CB ALA A 35 -8.087 15.176 7.492 1.00 0.40 C ATOM 0 H ALA A 35 -7.613 13.559 5.689 1.00 0.30 H new ATOM 0 HA ALA A 35 -9.006 16.025 5.750 1.00 0.36 H new ATOM 0 HB1 ALA A 35 -8.228 16.062 8.111 1.00 0.40 H new ATOM 0 HB2 ALA A 35 -8.911 14.483 7.658 1.00 0.40 H new ATOM 0 HB3 ALA A 35 -7.147 14.693 7.759 1.00 0.40 H new ATOM 580 N GLU A 36 -5.730 16.191 5.683 1.00 0.30 N ATOM 581 CA GLU A 36 -4.588 17.084 5.648 1.00 0.34 C ATOM 582 C GLU A 36 -4.219 17.484 4.216 1.00 0.31 C ATOM 583 O GLU A 36 -4.113 18.675 3.911 1.00 0.41 O ATOM 584 CB GLU A 36 -3.431 16.388 6.371 1.00 0.38 C ATOM 585 CG GLU A 36 -2.091 17.076 6.277 1.00 0.74 C ATOM 586 CD GLU A 36 -2.123 18.521 6.728 1.00 1.25 C ATOM 587 OE1 GLU A 36 -2.463 18.774 7.903 1.00 1.73 O ATOM 588 OE2 GLU A 36 -1.806 19.409 5.913 1.00 1.69 O ATOM 0 H GLU A 36 -5.489 15.203 5.608 1.00 0.30 H new ATOM 0 HA GLU A 36 -4.829 18.019 6.155 1.00 0.34 H new ATOM 0 HB2 GLU A 36 -3.694 16.287 7.424 1.00 0.38 H new ATOM 0 HB3 GLU A 36 -3.330 15.380 5.969 1.00 0.38 H new ATOM 0 HG2 GLU A 36 -1.368 16.530 6.883 1.00 0.74 H new ATOM 0 HG3 GLU A 36 -1.740 17.033 5.246 1.00 0.74 H new ATOM 595 N THR A 37 -4.052 16.511 3.327 1.00 0.24 N ATOM 596 CA THR A 37 -3.637 16.819 1.963 1.00 0.26 C ATOM 597 C THR A 37 -4.846 17.135 1.092 1.00 0.28 C ATOM 598 O THR A 37 -4.712 17.678 -0.003 1.00 0.35 O ATOM 599 CB THR A 37 -2.825 15.667 1.320 1.00 0.28 C ATOM 600 OG1 THR A 37 -3.694 14.707 0.722 1.00 0.25 O ATOM 601 CG2 THR A 37 -1.950 14.969 2.354 1.00 0.29 C ATOM 0 H THR A 37 -4.194 15.520 3.520 1.00 0.24 H new ATOM 0 HA THR A 37 -2.989 17.693 2.024 1.00 0.26 H new ATOM 0 HB THR A 37 -2.189 16.108 0.553 1.00 0.28 H new ATOM 0 HG1 THR A 37 -4.090 14.145 1.420 1.00 0.25 H new ATOM 0 HG21 THR A 37 -1.391 14.165 1.875 1.00 0.29 H new ATOM 0 HG22 THR A 37 -1.253 15.688 2.786 1.00 0.29 H new ATOM 0 HG23 THR A 37 -2.578 14.554 3.142 1.00 0.29 H new ATOM 609 N GLY A 38 -6.025 16.772 1.584 1.00 0.28 N ATOM 610 CA GLY A 38 -7.244 16.984 0.830 1.00 0.35 C ATOM 611 C GLY A 38 -7.456 15.898 -0.189 1.00 0.35 C ATOM 612 O GLY A 38 -8.244 16.051 -1.126 1.00 0.44 O ATOM 0 H GLY A 38 -6.157 16.333 2.495 1.00 0.28 H new ATOM 0 HA2 GLY A 38 -8.094 17.016 1.512 1.00 0.35 H new ATOM 0 HA3 GLY A 38 -7.200 17.951 0.329 1.00 0.35 H new ATOM 616 N CYS A 39 -6.748 14.795 -0.009 1.00 0.29 N ATOM 617 CA CYS A 39 -6.868 13.676 -0.913 1.00 0.26 C ATOM 618 C CYS A 39 -7.580 12.525 -0.257 1.00 0.35 C ATOM 619 O CYS A 39 -7.077 11.936 0.694 1.00 0.73 O ATOM 620 CB CYS A 39 -5.501 13.197 -1.359 1.00 0.37 C ATOM 621 SG CYS A 39 -5.565 11.715 -2.377 1.00 1.29 S ATOM 0 H CYS A 39 -6.087 14.656 0.755 1.00 0.29 H new ATOM 0 HA CYS A 39 -7.442 14.019 -1.774 1.00 0.26 H new ATOM 0 HB2 CYS A 39 -5.009 13.993 -1.918 1.00 0.37 H new ATOM 0 HB3 CYS A 39 -4.888 12.999 -0.480 1.00 0.37 H new ATOM 0 HG CYS A 39 -6.251 10.797 -1.764 1.00 1.29 H new ATOM 627 N LYS A 40 -8.711 12.152 -0.800 1.00 0.28 N ATOM 628 CA LYS A 40 -9.409 11.012 -0.290 1.00 0.27 C ATOM 629 C LYS A 40 -8.775 9.771 -0.887 1.00 0.24 C ATOM 630 O LYS A 40 -9.131 9.343 -1.982 1.00 0.26 O ATOM 631 CB LYS A 40 -10.895 11.108 -0.642 1.00 0.35 C ATOM 632 CG LYS A 40 -11.724 9.921 -0.171 1.00 1.07 C ATOM 633 CD LYS A 40 -13.138 9.980 -0.730 1.00 1.36 C ATOM 634 CE LYS A 40 -13.970 8.782 -0.296 1.00 1.62 C ATOM 635 NZ LYS A 40 -15.349 8.833 -0.849 1.00 2.51 N ATOM 0 H LYS A 40 -9.160 12.619 -1.587 1.00 0.28 H new ATOM 0 HA LYS A 40 -9.337 10.967 0.797 1.00 0.27 H new ATOM 0 HB2 LYS A 40 -11.303 12.019 -0.204 1.00 0.35 H new ATOM 0 HB3 LYS A 40 -10.996 11.202 -1.723 1.00 0.35 H new ATOM 0 HG2 LYS A 40 -11.245 8.993 -0.483 1.00 1.07 H new ATOM 0 HG3 LYS A 40 -11.761 9.909 0.918 1.00 1.07 H new ATOM 0 HD2 LYS A 40 -13.622 10.898 -0.397 1.00 1.36 H new ATOM 0 HD3 LYS A 40 -13.097 10.018 -1.819 1.00 1.36 H new ATOM 0 HE2 LYS A 40 -13.482 7.864 -0.623 1.00 1.62 H new ATOM 0 HE3 LYS A 40 -14.017 8.748 0.792 1.00 1.62 H new ATOM 0 HZ1 LYS A 40 -15.882 7.999 -0.530 1.00 2.51 H new ATOM 0 HZ2 LYS A 40 -15.825 9.696 -0.517 1.00 2.51 H new ATOM 0 HZ3 LYS A 40 -15.306 8.839 -1.888 1.00 2.51 H new ATOM 649 N ILE A 41 -7.808 9.215 -0.181 1.00 0.22 N ATOM 650 CA ILE A 41 -7.174 7.994 -0.623 1.00 0.21 C ATOM 651 C ILE A 41 -8.055 6.808 -0.273 1.00 0.23 C ATOM 652 O ILE A 41 -8.391 6.576 0.889 1.00 0.29 O ATOM 653 CB ILE A 41 -5.763 7.819 -0.011 1.00 0.21 C ATOM 654 CG1 ILE A 41 -5.159 6.471 -0.408 1.00 0.23 C ATOM 655 CG2 ILE A 41 -5.805 7.954 1.508 1.00 0.25 C ATOM 656 CD1 ILE A 41 -3.734 6.301 0.061 1.00 0.25 C ATOM 0 H ILE A 41 -7.448 9.590 0.697 1.00 0.22 H new ATOM 0 HA ILE A 41 -7.049 8.051 -1.704 1.00 0.21 H new ATOM 0 HB ILE A 41 -5.129 8.611 -0.408 1.00 0.21 H new ATOM 0 HG12 ILE A 41 -5.770 5.669 0.007 1.00 0.23 H new ATOM 0 HG13 ILE A 41 -5.193 6.369 -1.493 1.00 0.23 H new ATOM 0 HG21 ILE A 41 -4.801 7.827 1.912 1.00 0.25 H new ATOM 0 HG22 ILE A 41 -6.181 8.941 1.775 1.00 0.25 H new ATOM 0 HG23 ILE A 41 -6.463 7.190 1.923 1.00 0.25 H new ATOM 0 HD11 ILE A 41 -3.362 5.325 -0.251 1.00 0.25 H new ATOM 0 HD12 ILE A 41 -3.112 7.083 -0.374 1.00 0.25 H new ATOM 0 HD13 ILE A 41 -3.698 6.372 1.148 1.00 0.25 H new ATOM 668 N MET A 42 -8.457 6.081 -1.292 1.00 0.20 N ATOM 669 CA MET A 42 -9.330 4.957 -1.112 1.00 0.21 C ATOM 670 C MET A 42 -8.632 3.707 -1.585 1.00 0.20 C ATOM 671 O MET A 42 -8.038 3.684 -2.663 1.00 0.21 O ATOM 672 CB MET A 42 -10.646 5.156 -1.876 1.00 0.26 C ATOM 673 CG MET A 42 -10.465 5.648 -3.305 1.00 0.29 C ATOM 674 SD MET A 42 -12.005 5.629 -4.244 1.00 0.45 S ATOM 675 CE MET A 42 -11.529 6.584 -5.684 1.00 1.43 C ATOM 0 H MET A 42 -8.187 6.256 -2.260 1.00 0.20 H new ATOM 0 HA MET A 42 -9.572 4.862 -0.053 1.00 0.21 H new ATOM 0 HB2 MET A 42 -11.190 4.212 -1.894 1.00 0.26 H new ATOM 0 HB3 MET A 42 -11.265 5.870 -1.333 1.00 0.26 H new ATOM 0 HG2 MET A 42 -10.066 6.662 -3.289 1.00 0.29 H new ATOM 0 HG3 MET A 42 -9.728 5.024 -3.810 1.00 0.29 H new ATOM 0 HE1 MET A 42 -12.022 7.556 -5.656 1.00 1.43 H new ATOM 0 HE2 MET A 42 -10.448 6.726 -5.686 1.00 1.43 H new ATOM 0 HE3 MET A 42 -11.826 6.052 -6.588 1.00 1.43 H new ATOM 685 N VAL A 43 -8.688 2.674 -0.779 1.00 0.22 N ATOM 686 CA VAL A 43 -8.086 1.424 -1.145 1.00 0.25 C ATOM 687 C VAL A 43 -8.996 0.723 -2.139 1.00 0.27 C ATOM 688 O VAL A 43 -10.126 0.361 -1.825 1.00 0.41 O ATOM 689 CB VAL A 43 -7.821 0.526 0.078 1.00 0.32 C ATOM 690 CG1 VAL A 43 -6.763 -0.500 -0.261 1.00 0.51 C ATOM 691 CG2 VAL A 43 -7.392 1.352 1.287 1.00 0.79 C ATOM 0 H VAL A 43 -9.145 2.679 0.133 1.00 0.22 H new ATOM 0 HA VAL A 43 -7.115 1.623 -1.598 1.00 0.25 H new ATOM 0 HB VAL A 43 -8.748 0.015 0.337 1.00 0.32 H new ATOM 0 HG11 VAL A 43 -6.579 -1.133 0.607 1.00 0.51 H new ATOM 0 HG12 VAL A 43 -7.106 -1.115 -1.093 1.00 0.51 H new ATOM 0 HG13 VAL A 43 -5.840 0.008 -0.542 1.00 0.51 H new ATOM 0 HG21 VAL A 43 -7.212 0.690 2.134 1.00 0.79 H new ATOM 0 HG22 VAL A 43 -6.477 1.895 1.050 1.00 0.79 H new ATOM 0 HG23 VAL A 43 -8.180 2.061 1.541 1.00 0.79 H new ATOM 701 N ARG A 44 -8.512 0.574 -3.347 1.00 0.29 N ATOM 702 CA ARG A 44 -9.307 0.017 -4.419 1.00 0.31 C ATOM 703 C ARG A 44 -8.802 -1.358 -4.771 1.00 0.38 C ATOM 704 O ARG A 44 -7.678 -1.522 -5.222 1.00 0.71 O ATOM 705 CB ARG A 44 -9.303 0.921 -5.652 1.00 0.33 C ATOM 706 CG ARG A 44 -10.070 2.217 -5.458 1.00 0.37 C ATOM 707 CD ARG A 44 -10.843 2.593 -6.703 1.00 0.50 C ATOM 708 NE ARG A 44 -12.026 3.388 -6.374 1.00 0.56 N ATOM 709 CZ ARG A 44 -13.212 3.263 -6.975 1.00 0.72 C ATOM 710 NH1 ARG A 44 -13.397 2.343 -7.918 1.00 1.26 N ATOM 711 NH2 ARG A 44 -14.219 4.052 -6.619 1.00 1.10 N ATOM 0 H ARG A 44 -7.563 0.833 -3.616 1.00 0.29 H new ATOM 0 HA ARG A 44 -10.338 -0.057 -4.072 1.00 0.31 H new ATOM 0 HB2 ARG A 44 -8.272 1.155 -5.917 1.00 0.33 H new ATOM 0 HB3 ARG A 44 -9.733 0.377 -6.493 1.00 0.33 H new ATOM 0 HG2 ARG A 44 -10.758 2.112 -4.619 1.00 0.37 H new ATOM 0 HG3 ARG A 44 -9.376 3.018 -5.203 1.00 0.37 H new ATOM 0 HD2 ARG A 44 -10.199 3.158 -7.377 1.00 0.50 H new ATOM 0 HD3 ARG A 44 -11.145 1.690 -7.233 1.00 0.50 H new ATOM 0 HE ARG A 44 -11.939 4.086 -5.635 1.00 0.56 H new ATOM 0 HH11 ARG A 44 -12.630 1.727 -8.187 1.00 1.26 H new ATOM 0 HH12 ARG A 44 -14.306 2.254 -8.372 1.00 1.26 H new ATOM 0 HH21 ARG A 44 -14.085 4.751 -5.888 1.00 1.10 H new ATOM 0 HH22 ARG A 44 -15.126 3.959 -7.076 1.00 1.10 H new ATOM 725 N GLY A 45 -9.649 -2.330 -4.560 1.00 0.26 N ATOM 726 CA GLY A 45 -9.268 -3.706 -4.713 1.00 0.29 C ATOM 727 C GLY A 45 -10.104 -4.592 -3.829 1.00 0.29 C ATOM 728 O GLY A 45 -10.985 -4.106 -3.110 1.00 0.33 O ATOM 0 H GLY A 45 -10.619 -2.190 -4.278 1.00 0.26 H new ATOM 0 HA2 GLY A 45 -9.386 -4.007 -5.754 1.00 0.29 H new ATOM 0 HA3 GLY A 45 -8.214 -3.826 -4.464 1.00 0.29 H new ATOM 732 N LYS A 46 -9.839 -5.878 -3.874 1.00 0.39 N ATOM 733 CA LYS A 46 -10.601 -6.836 -3.101 1.00 0.50 C ATOM 734 C LYS A 46 -10.253 -6.741 -1.616 1.00 0.50 C ATOM 735 O LYS A 46 -9.153 -7.109 -1.192 1.00 0.62 O ATOM 736 CB LYS A 46 -10.363 -8.251 -3.650 1.00 0.74 C ATOM 737 CG LYS A 46 -8.911 -8.715 -3.598 1.00 0.90 C ATOM 738 CD LYS A 46 -8.600 -9.699 -4.709 1.00 0.94 C ATOM 739 CE LYS A 46 -8.478 -8.990 -6.049 1.00 0.72 C ATOM 740 NZ LYS A 46 -8.143 -9.932 -7.150 1.00 1.45 N ATOM 0 H LYS A 46 -9.097 -6.288 -4.441 1.00 0.39 H new ATOM 0 HA LYS A 46 -11.662 -6.606 -3.195 1.00 0.50 H new ATOM 0 HB2 LYS A 46 -10.976 -8.954 -3.085 1.00 0.74 H new ATOM 0 HB3 LYS A 46 -10.706 -8.288 -4.684 1.00 0.74 H new ATOM 0 HG2 LYS A 46 -8.250 -7.852 -3.679 1.00 0.90 H new ATOM 0 HG3 LYS A 46 -8.711 -9.180 -2.633 1.00 0.90 H new ATOM 0 HD2 LYS A 46 -7.671 -10.223 -4.485 1.00 0.94 H new ATOM 0 HD3 LYS A 46 -9.386 -10.452 -4.763 1.00 0.94 H new ATOM 0 HE2 LYS A 46 -9.416 -8.484 -6.278 1.00 0.72 H new ATOM 0 HE3 LYS A 46 -7.708 -8.221 -5.983 1.00 0.72 H new ATOM 0 HZ1 LYS A 46 -8.069 -9.408 -8.045 1.00 1.45 H new ATOM 0 HZ2 LYS A 46 -7.235 -10.397 -6.945 1.00 1.45 H new ATOM 0 HZ3 LYS A 46 -8.890 -10.651 -7.231 1.00 1.45 H new ATOM 754 N GLY A 47 -11.183 -6.217 -0.824 1.00 0.57 N ATOM 755 CA GLY A 47 -10.976 -6.212 0.608 1.00 0.68 C ATOM 756 C GLY A 47 -10.955 -4.824 1.204 1.00 0.51 C ATOM 757 O GLY A 47 -10.509 -4.641 2.329 1.00 0.60 O ATOM 0 H GLY A 47 -12.060 -5.804 -1.142 1.00 0.57 H new ATOM 0 HA2 GLY A 47 -11.766 -6.792 1.084 1.00 0.68 H new ATOM 0 HA3 GLY A 47 -10.034 -6.711 0.834 1.00 0.68 H new ATOM 761 N SER A 48 -11.479 -3.857 0.468 1.00 0.54 N ATOM 762 CA SER A 48 -11.479 -2.468 0.906 1.00 0.72 C ATOM 763 C SER A 48 -12.345 -2.292 2.163 1.00 1.02 C ATOM 764 O SER A 48 -11.865 -1.876 3.214 1.00 1.43 O ATOM 765 CB SER A 48 -12.025 -1.611 -0.234 1.00 0.82 C ATOM 766 OG SER A 48 -12.057 -0.235 0.093 1.00 1.31 O ATOM 0 H SER A 48 -11.913 -4.009 -0.442 1.00 0.54 H new ATOM 0 HA SER A 48 -10.464 -2.162 1.159 1.00 0.72 H new ATOM 0 HB2 SER A 48 -11.409 -1.756 -1.121 1.00 0.82 H new ATOM 0 HB3 SER A 48 -13.031 -1.945 -0.486 1.00 0.82 H new ATOM 0 HG SER A 48 -12.937 -0.006 0.459 1.00 1.31 H new ATOM 772 N MET A 49 -13.625 -2.625 2.036 1.00 1.18 N ATOM 773 CA MET A 49 -14.585 -2.532 3.135 1.00 1.58 C ATOM 774 C MET A 49 -15.235 -3.888 3.370 1.00 1.30 C ATOM 775 O MET A 49 -16.438 -3.968 3.609 1.00 1.70 O ATOM 776 CB MET A 49 -15.656 -1.463 2.884 1.00 2.49 C ATOM 777 CG MET A 49 -15.215 -0.040 3.205 1.00 3.25 C ATOM 778 SD MET A 49 -14.016 0.616 2.032 1.00 4.35 S ATOM 779 CE MET A 49 -13.720 2.243 2.726 1.00 5.15 C ATOM 0 H MET A 49 -14.030 -2.969 1.165 1.00 1.18 H new ATOM 0 HA MET A 49 -14.036 -2.230 4.027 1.00 1.58 H new ATOM 0 HB2 MET A 49 -15.959 -1.509 1.838 1.00 2.49 H new ATOM 0 HB3 MET A 49 -16.536 -1.701 3.482 1.00 2.49 H new ATOM 0 HG2 MET A 49 -16.090 0.609 3.221 1.00 3.25 H new ATOM 0 HG3 MET A 49 -14.784 -0.018 4.206 1.00 3.25 H new ATOM 0 HE1 MET A 49 -12.996 2.775 2.109 1.00 5.15 H new ATOM 0 HE2 MET A 49 -14.655 2.803 2.753 1.00 5.15 H new ATOM 0 HE3 MET A 49 -13.329 2.141 3.738 1.00 5.15 H new ATOM 789 N ARG A 50 -14.432 -4.945 3.217 1.00 0.89 N ATOM 790 CA ARG A 50 -14.876 -6.355 3.276 1.00 1.28 C ATOM 791 C ARG A 50 -15.562 -6.750 4.612 1.00 1.22 C ATOM 792 O ARG A 50 -15.579 -7.924 4.986 1.00 1.55 O ATOM 793 CB ARG A 50 -13.655 -7.263 3.031 1.00 1.65 C ATOM 794 CG ARG A 50 -14.002 -8.717 2.738 1.00 2.14 C ATOM 795 CD ARG A 50 -14.678 -8.864 1.389 1.00 2.26 C ATOM 796 NE ARG A 50 -15.386 -10.138 1.262 1.00 3.05 N ATOM 797 CZ ARG A 50 -15.335 -10.922 0.185 1.00 3.84 C ATOM 798 NH1 ARG A 50 -14.516 -10.630 -0.820 1.00 4.04 N ATOM 799 NH2 ARG A 50 -16.080 -12.015 0.133 1.00 4.74 N ATOM 0 H ARG A 50 -13.431 -4.850 3.044 1.00 0.89 H new ATOM 0 HA ARG A 50 -15.635 -6.483 2.504 1.00 1.28 H new ATOM 0 HB2 ARG A 50 -13.082 -6.863 2.195 1.00 1.65 H new ATOM 0 HB3 ARG A 50 -13.008 -7.226 3.907 1.00 1.65 H new ATOM 0 HG2 ARG A 50 -13.095 -9.321 2.759 1.00 2.14 H new ATOM 0 HG3 ARG A 50 -14.658 -9.100 3.519 1.00 2.14 H new ATOM 0 HD2 ARG A 50 -15.381 -8.044 1.245 1.00 2.26 H new ATOM 0 HD3 ARG A 50 -13.931 -8.785 0.599 1.00 2.26 H new ATOM 0 HE ARG A 50 -15.956 -10.447 2.049 1.00 3.05 H new ATOM 0 HH11 ARG A 50 -13.922 -9.802 -0.770 1.00 4.04 H new ATOM 0 HH12 ARG A 50 -14.481 -11.234 -1.641 1.00 4.04 H new ATOM 0 HH21 ARG A 50 -16.690 -12.254 0.915 1.00 4.74 H new ATOM 0 HH22 ARG A 50 -16.044 -12.618 -0.689 1.00 4.74 H new ATOM 813 N ASP A 51 -16.143 -5.788 5.312 1.00 0.99 N ATOM 814 CA ASP A 51 -16.841 -6.060 6.557 1.00 1.15 C ATOM 815 C ASP A 51 -18.108 -6.859 6.265 1.00 1.27 C ATOM 816 O ASP A 51 -18.767 -6.640 5.245 1.00 1.24 O ATOM 817 CB ASP A 51 -17.193 -4.750 7.266 1.00 1.25 C ATOM 818 CG ASP A 51 -17.653 -4.964 8.695 1.00 1.85 C ATOM 819 OD1 ASP A 51 -18.791 -5.445 8.890 1.00 2.67 O ATOM 820 OD2 ASP A 51 -16.888 -4.649 9.629 1.00 1.97 O ATOM 0 H ASP A 51 -16.144 -4.806 5.036 1.00 0.99 H new ATOM 0 HA ASP A 51 -16.192 -6.642 7.212 1.00 1.15 H new ATOM 0 HB2 ASP A 51 -16.322 -4.095 7.263 1.00 1.25 H new ATOM 0 HB3 ASP A 51 -17.978 -4.239 6.708 1.00 1.25 H new ATOM 825 N LYS A 52 -18.453 -7.774 7.156 1.00 1.46 N ATOM 826 CA LYS A 52 -19.551 -8.703 6.917 1.00 1.63 C ATOM 827 C LYS A 52 -20.903 -8.001 6.893 1.00 1.60 C ATOM 828 O LYS A 52 -21.790 -8.369 6.117 1.00 1.65 O ATOM 829 CB LYS A 52 -19.543 -9.824 7.958 1.00 1.89 C ATOM 830 CG LYS A 52 -18.655 -11.002 7.578 1.00 2.13 C ATOM 831 CD LYS A 52 -17.238 -10.561 7.242 1.00 2.73 C ATOM 832 CE LYS A 52 -16.467 -11.649 6.513 1.00 3.39 C ATOM 833 NZ LYS A 52 -17.148 -12.066 5.253 1.00 4.02 N ATOM 0 H LYS A 52 -17.988 -7.895 8.056 1.00 1.46 H new ATOM 0 HA LYS A 52 -19.397 -9.138 5.930 1.00 1.63 H new ATOM 0 HB2 LYS A 52 -19.207 -9.420 8.913 1.00 1.89 H new ATOM 0 HB3 LYS A 52 -20.563 -10.180 8.104 1.00 1.89 H new ATOM 0 HG2 LYS A 52 -18.627 -11.716 8.401 1.00 2.13 H new ATOM 0 HG3 LYS A 52 -19.086 -11.520 6.722 1.00 2.13 H new ATOM 0 HD2 LYS A 52 -17.273 -9.664 6.624 1.00 2.73 H new ATOM 0 HD3 LYS A 52 -16.713 -10.295 8.159 1.00 2.73 H new ATOM 0 HE2 LYS A 52 -15.464 -11.290 6.282 1.00 3.39 H new ATOM 0 HE3 LYS A 52 -16.353 -12.513 7.167 1.00 3.39 H new ATOM 0 HZ1 LYS A 52 -16.435 -12.267 4.523 1.00 4.02 H new ATOM 0 HZ2 LYS A 52 -17.713 -12.921 5.430 1.00 4.02 H new ATOM 0 HZ3 LYS A 52 -17.772 -11.301 4.926 1.00 4.02 H new ATOM 847 N LYS A 53 -21.067 -6.980 7.713 1.00 1.58 N ATOM 848 CA LYS A 53 -22.319 -6.251 7.717 1.00 1.61 C ATOM 849 C LYS A 53 -22.451 -5.468 6.419 1.00 1.43 C ATOM 850 O LYS A 53 -23.549 -5.309 5.888 1.00 1.45 O ATOM 851 CB LYS A 53 -22.426 -5.317 8.928 1.00 1.70 C ATOM 852 CG LYS A 53 -21.507 -4.107 8.879 1.00 1.61 C ATOM 853 CD LYS A 53 -21.577 -3.304 10.166 1.00 1.81 C ATOM 854 CE LYS A 53 -21.020 -4.088 11.343 1.00 2.29 C ATOM 855 NZ LYS A 53 -19.559 -4.328 11.202 1.00 2.51 N ATOM 0 H LYS A 53 -20.365 -6.643 8.372 1.00 1.58 H new ATOM 0 HA LYS A 53 -23.136 -6.968 7.793 1.00 1.61 H new ATOM 0 HB2 LYS A 53 -23.456 -4.971 9.013 1.00 1.70 H new ATOM 0 HB3 LYS A 53 -22.206 -5.887 9.830 1.00 1.70 H new ATOM 0 HG2 LYS A 53 -20.481 -4.434 8.708 1.00 1.61 H new ATOM 0 HG3 LYS A 53 -21.784 -3.472 8.037 1.00 1.61 H new ATOM 0 HD2 LYS A 53 -21.017 -2.376 10.048 1.00 1.81 H new ATOM 0 HD3 LYS A 53 -22.612 -3.028 10.368 1.00 1.81 H new ATOM 0 HE2 LYS A 53 -21.212 -3.543 12.267 1.00 2.29 H new ATOM 0 HE3 LYS A 53 -21.540 -5.043 11.423 1.00 2.29 H new ATOM 0 HZ1 LYS A 53 -19.164 -4.615 12.120 1.00 2.51 H new ATOM 0 HZ2 LYS A 53 -19.397 -5.082 10.504 1.00 2.51 H new ATOM 0 HZ3 LYS A 53 -19.093 -3.455 10.883 1.00 2.51 H new ATOM 869 N LYS A 54 -21.312 -5.014 5.896 1.00 1.31 N ATOM 870 CA LYS A 54 -21.286 -4.239 4.665 1.00 1.17 C ATOM 871 C LYS A 54 -21.790 -5.089 3.508 1.00 1.19 C ATOM 872 O LYS A 54 -22.658 -4.670 2.755 1.00 1.21 O ATOM 873 CB LYS A 54 -19.868 -3.753 4.358 1.00 1.09 C ATOM 874 CG LYS A 54 -19.779 -2.288 3.957 1.00 1.22 C ATOM 875 CD LYS A 54 -19.542 -1.399 5.170 1.00 1.37 C ATOM 876 CE LYS A 54 -18.931 -0.057 4.789 1.00 1.53 C ATOM 877 NZ LYS A 54 -19.834 0.770 3.943 1.00 2.16 N ATOM 0 H LYS A 54 -20.394 -5.173 6.311 1.00 1.31 H new ATOM 0 HA LYS A 54 -21.934 -3.372 4.794 1.00 1.17 H new ATOM 0 HB2 LYS A 54 -19.243 -3.915 5.236 1.00 1.09 H new ATOM 0 HB3 LYS A 54 -19.454 -4.363 3.555 1.00 1.09 H new ATOM 0 HG2 LYS A 54 -18.969 -2.153 3.240 1.00 1.22 H new ATOM 0 HG3 LYS A 54 -20.700 -1.988 3.457 1.00 1.22 H new ATOM 0 HD2 LYS A 54 -20.487 -1.232 5.686 1.00 1.37 H new ATOM 0 HD3 LYS A 54 -18.882 -1.911 5.870 1.00 1.37 H new ATOM 0 HE2 LYS A 54 -18.684 0.495 5.696 1.00 1.53 H new ATOM 0 HE3 LYS A 54 -17.996 -0.227 4.255 1.00 1.53 H new ATOM 0 HZ1 LYS A 54 -19.354 1.656 3.686 1.00 2.16 H new ATOM 0 HZ2 LYS A 54 -20.077 0.245 3.079 1.00 2.16 H new ATOM 0 HZ3 LYS A 54 -20.703 0.988 4.472 1.00 2.16 H new ATOM 891 N GLU A 55 -21.264 -6.297 3.387 1.00 1.26 N ATOM 892 CA GLU A 55 -21.638 -7.184 2.292 1.00 1.33 C ATOM 893 C GLU A 55 -23.098 -7.604 2.379 1.00 1.46 C ATOM 894 O GLU A 55 -23.692 -8.015 1.387 1.00 1.53 O ATOM 895 CB GLU A 55 -20.741 -8.416 2.251 1.00 1.44 C ATOM 896 CG GLU A 55 -20.399 -8.954 3.619 1.00 1.58 C ATOM 897 CD GLU A 55 -19.867 -10.368 3.571 1.00 1.79 C ATOM 898 OE1 GLU A 55 -20.681 -11.316 3.545 1.00 1.96 O ATOM 899 OE2 GLU A 55 -18.631 -10.542 3.567 1.00 2.05 O ATOM 0 H GLU A 55 -20.577 -6.688 4.032 1.00 1.26 H new ATOM 0 HA GLU A 55 -21.503 -6.622 1.368 1.00 1.33 H new ATOM 0 HB2 GLU A 55 -21.236 -9.198 1.675 1.00 1.44 H new ATOM 0 HB3 GLU A 55 -19.819 -8.168 1.725 1.00 1.44 H new ATOM 0 HG2 GLU A 55 -19.657 -8.306 4.085 1.00 1.58 H new ATOM 0 HG3 GLU A 55 -21.288 -8.925 4.249 1.00 1.58 H new ATOM 906 N GLU A 56 -23.669 -7.525 3.563 1.00 1.51 N ATOM 907 CA GLU A 56 -25.082 -7.831 3.723 1.00 1.64 C ATOM 908 C GLU A 56 -25.962 -6.718 3.149 1.00 1.57 C ATOM 909 O GLU A 56 -26.774 -6.960 2.255 1.00 1.62 O ATOM 910 CB GLU A 56 -25.425 -8.067 5.195 1.00 1.78 C ATOM 911 CG GLU A 56 -24.710 -9.264 5.792 1.00 1.87 C ATOM 912 CD GLU A 56 -25.107 -9.535 7.228 1.00 2.05 C ATOM 913 OE1 GLU A 56 -24.526 -8.913 8.144 1.00 2.40 O ATOM 914 OE2 GLU A 56 -25.990 -10.388 7.452 1.00 2.33 O ATOM 0 H GLU A 56 -23.187 -7.255 4.421 1.00 1.51 H new ATOM 0 HA GLU A 56 -25.283 -8.746 3.166 1.00 1.64 H new ATOM 0 HB2 GLU A 56 -25.169 -7.176 5.768 1.00 1.78 H new ATOM 0 HB3 GLU A 56 -26.501 -8.210 5.292 1.00 1.78 H new ATOM 0 HG2 GLU A 56 -24.925 -10.146 5.189 1.00 1.87 H new ATOM 0 HG3 GLU A 56 -23.634 -9.099 5.743 1.00 1.87 H new ATOM 921 N GLN A 57 -25.801 -5.506 3.664 1.00 1.48 N ATOM 922 CA GLN A 57 -26.681 -4.394 3.309 1.00 1.47 C ATOM 923 C GLN A 57 -26.023 -3.368 2.378 1.00 1.36 C ATOM 924 O GLN A 57 -26.671 -2.841 1.473 1.00 1.40 O ATOM 925 CB GLN A 57 -27.208 -3.735 4.587 1.00 1.55 C ATOM 926 CG GLN A 57 -26.180 -3.609 5.707 1.00 1.59 C ATOM 927 CD GLN A 57 -25.220 -2.448 5.544 1.00 1.75 C ATOM 928 OE1 GLN A 57 -25.587 -1.381 5.056 1.00 2.37 O ATOM 929 NE2 GLN A 57 -23.964 -2.678 5.891 1.00 1.85 N ATOM 0 H GLN A 57 -25.068 -5.265 4.331 1.00 1.48 H new ATOM 0 HA GLN A 57 -27.514 -4.805 2.739 1.00 1.47 H new ATOM 0 HB2 GLN A 57 -27.581 -2.741 4.340 1.00 1.55 H new ATOM 0 HB3 GLN A 57 -28.057 -4.312 4.954 1.00 1.55 H new ATOM 0 HG2 GLN A 57 -26.705 -3.501 6.656 1.00 1.59 H new ATOM 0 HG3 GLN A 57 -25.607 -4.534 5.764 1.00 1.59 H new ATOM 0 HE21 GLN A 57 -23.703 -3.578 6.293 1.00 1.85 H new ATOM 0 HE22 GLN A 57 -23.257 -1.955 5.757 1.00 1.85 H new ATOM 938 N ASN A 58 -24.744 -3.101 2.585 1.00 1.27 N ATOM 939 CA ASN A 58 -24.023 -2.086 1.808 1.00 1.21 C ATOM 940 C ASN A 58 -23.305 -2.744 0.627 1.00 1.16 C ATOM 941 O ASN A 58 -22.421 -2.163 0.001 1.00 1.13 O ATOM 942 CB ASN A 58 -23.035 -1.345 2.726 1.00 1.21 C ATOM 943 CG ASN A 58 -22.485 -0.059 2.128 1.00 1.55 C ATOM 944 OD1 ASN A 58 -21.382 -0.033 1.580 1.00 2.20 O ATOM 945 ND2 ASN A 58 -23.248 1.018 2.240 1.00 1.95 N ATOM 0 H ASN A 58 -24.174 -3.572 3.287 1.00 1.27 H new ATOM 0 HA ASN A 58 -24.728 -1.359 1.405 1.00 1.21 H new ATOM 0 HB2 ASN A 58 -23.533 -1.113 3.667 1.00 1.21 H new ATOM 0 HB3 ASN A 58 -22.204 -2.010 2.961 1.00 1.21 H new ATOM 0 HD21 ASN A 58 -22.928 1.911 1.865 1.00 1.95 H new ATOM 0 HD22 ASN A 58 -24.156 0.954 2.701 1.00 1.95 H new ATOM 952 N ARG A 59 -23.696 -3.985 0.360 1.00 1.20 N ATOM 953 CA ARG A 59 -23.196 -4.755 -0.775 1.00 1.22 C ATOM 954 C ARG A 59 -23.361 -4.003 -2.096 1.00 1.19 C ATOM 955 O ARG A 59 -24.270 -3.183 -2.250 1.00 1.24 O ATOM 956 CB ARG A 59 -23.931 -6.090 -0.871 1.00 1.36 C ATOM 957 CG ARG A 59 -25.445 -5.955 -0.823 1.00 1.47 C ATOM 958 CD ARG A 59 -26.140 -7.249 -1.208 1.00 1.69 C ATOM 959 NE ARG A 59 -25.647 -8.396 -0.449 1.00 2.08 N ATOM 960 CZ ARG A 59 -25.964 -9.657 -0.726 1.00 2.67 C ATOM 961 NH1 ARG A 59 -26.721 -9.936 -1.780 1.00 2.95 N ATOM 962 NH2 ARG A 59 -25.507 -10.641 0.042 1.00 3.45 N ATOM 0 H ARG A 59 -24.375 -4.490 0.930 1.00 1.20 H new ATOM 0 HA ARG A 59 -22.132 -4.921 -0.604 1.00 1.22 H new ATOM 0 HB2 ARG A 59 -23.648 -6.585 -1.800 1.00 1.36 H new ATOM 0 HB3 ARG A 59 -23.606 -6.734 -0.054 1.00 1.36 H new ATOM 0 HG2 ARG A 59 -25.752 -5.663 0.181 1.00 1.47 H new ATOM 0 HG3 ARG A 59 -25.760 -5.159 -1.497 1.00 1.47 H new ATOM 0 HD2 ARG A 59 -27.213 -7.144 -1.046 1.00 1.69 H new ATOM 0 HD3 ARG A 59 -25.995 -7.433 -2.273 1.00 1.69 H new ATOM 0 HE ARG A 59 -25.024 -8.219 0.339 1.00 2.08 H new ATOM 0 HH11 ARG A 59 -27.060 -9.183 -2.378 1.00 2.95 H new ATOM 0 HH12 ARG A 59 -26.964 -10.904 -1.992 1.00 2.95 H new ATOM 0 HH21 ARG A 59 -24.913 -10.428 0.844 1.00 3.45 H new ATOM 0 HH22 ARG A 59 -25.750 -11.609 -0.170 1.00 3.45 H new ATOM 976 N GLY A 60 -22.476 -4.292 -3.043 1.00 1.15 N ATOM 977 CA GLY A 60 -22.563 -3.691 -4.365 1.00 1.15 C ATOM 978 C GLY A 60 -21.972 -2.292 -4.428 1.00 1.07 C ATOM 979 O GLY A 60 -21.571 -1.832 -5.496 1.00 1.09 O ATOM 0 H GLY A 60 -21.694 -4.936 -2.920 1.00 1.15 H new ATOM 0 HA2 GLY A 60 -22.046 -4.329 -5.082 1.00 1.15 H new ATOM 0 HA3 GLY A 60 -23.609 -3.651 -4.670 1.00 1.15 H new ATOM 983 N LYS A 61 -21.892 -1.636 -3.278 1.00 1.00 N ATOM 984 CA LYS A 61 -21.449 -0.245 -3.194 1.00 0.95 C ATOM 985 C LYS A 61 -19.941 -0.125 -3.422 1.00 0.80 C ATOM 986 O LYS A 61 -19.261 -1.138 -3.467 1.00 0.77 O ATOM 987 CB LYS A 61 -21.855 0.358 -1.848 1.00 1.04 C ATOM 988 CG LYS A 61 -23.361 0.471 -1.673 1.00 1.55 C ATOM 989 CD LYS A 61 -24.002 1.166 -2.866 1.00 2.06 C ATOM 990 CE LYS A 61 -25.487 1.408 -2.650 1.00 2.55 C ATOM 991 NZ LYS A 61 -25.736 2.275 -1.470 1.00 3.16 N ATOM 0 H LYS A 61 -22.131 -2.050 -2.377 1.00 1.00 H new ATOM 0 HA LYS A 61 -21.940 0.319 -3.987 1.00 0.95 H new ATOM 0 HB2 LYS A 61 -21.447 -0.255 -1.044 1.00 1.04 H new ATOM 0 HB3 LYS A 61 -21.409 1.348 -1.751 1.00 1.04 H new ATOM 0 HG2 LYS A 61 -23.792 -0.523 -1.553 1.00 1.55 H new ATOM 0 HG3 LYS A 61 -23.583 1.027 -0.762 1.00 1.55 H new ATOM 0 HD2 LYS A 61 -23.501 2.118 -3.044 1.00 2.06 H new ATOM 0 HD3 LYS A 61 -23.859 0.559 -3.760 1.00 2.06 H new ATOM 0 HE2 LYS A 61 -25.913 1.872 -3.539 1.00 2.55 H new ATOM 0 HE3 LYS A 61 -25.995 0.453 -2.514 1.00 2.55 H new ATOM 0 HZ1 LYS A 61 -26.698 2.666 -1.523 1.00 3.16 H new ATOM 0 HZ2 LYS A 61 -25.638 1.714 -0.600 1.00 3.16 H new ATOM 0 HZ3 LYS A 61 -25.046 3.053 -1.459 1.00 3.16 H new ATOM 1005 N PRO A 62 -19.423 1.119 -3.628 1.00 0.77 N ATOM 1006 CA PRO A 62 -18.004 1.442 -3.888 1.00 0.66 C ATOM 1007 C PRO A 62 -16.953 0.478 -3.347 1.00 0.58 C ATOM 1008 O PRO A 62 -15.936 0.228 -3.992 1.00 0.51 O ATOM 1009 CB PRO A 62 -17.901 2.735 -3.113 1.00 0.70 C ATOM 1010 CG PRO A 62 -19.154 3.452 -3.478 1.00 0.81 C ATOM 1011 CD PRO A 62 -20.205 2.374 -3.664 1.00 0.85 C ATOM 0 HA PRO A 62 -17.796 1.437 -4.958 1.00 0.66 H new ATOM 0 HB2 PRO A 62 -17.837 2.557 -2.040 1.00 0.70 H new ATOM 0 HB3 PRO A 62 -17.015 3.304 -3.395 1.00 0.70 H new ATOM 0 HG2 PRO A 62 -19.446 4.153 -2.696 1.00 0.81 H new ATOM 0 HG3 PRO A 62 -19.022 4.031 -4.392 1.00 0.81 H new ATOM 0 HD2 PRO A 62 -20.954 2.403 -2.873 1.00 0.85 H new ATOM 0 HD3 PRO A 62 -20.735 2.489 -4.609 1.00 0.85 H new ATOM 1019 N ASN A 63 -17.222 -0.077 -2.191 1.00 0.64 N ATOM 1020 CA ASN A 63 -16.304 -0.990 -1.525 1.00 0.63 C ATOM 1021 C ASN A 63 -16.161 -2.242 -2.357 1.00 0.56 C ATOM 1022 O ASN A 63 -15.072 -2.788 -2.514 1.00 0.51 O ATOM 1023 CB ASN A 63 -16.875 -1.362 -0.168 1.00 0.79 C ATOM 1024 CG ASN A 63 -17.841 -0.330 0.373 1.00 1.09 C ATOM 1025 OD1 ASN A 63 -17.454 0.632 1.027 1.00 1.93 O ATOM 1026 ND2 ASN A 63 -19.121 -0.542 0.109 1.00 1.06 N ATOM 0 H ASN A 63 -18.087 0.088 -1.676 1.00 0.64 H new ATOM 0 HA ASN A 63 -15.331 -0.513 -1.403 1.00 0.63 H new ATOM 0 HB2 ASN A 63 -17.385 -2.322 -0.246 1.00 0.79 H new ATOM 0 HB3 ASN A 63 -16.057 -1.492 0.541 1.00 0.79 H new ATOM 0 HD21 ASN A 63 -19.827 0.108 0.454 1.00 1.06 H new ATOM 0 HD22 ASN A 63 -19.401 -1.355 -0.439 1.00 1.06 H new ATOM 1033 N TRP A 64 -17.285 -2.663 -2.895 1.00 0.61 N ATOM 1034 CA TRP A 64 -17.383 -3.833 -3.725 1.00 0.62 C ATOM 1035 C TRP A 64 -17.175 -3.425 -5.160 1.00 0.60 C ATOM 1036 O TRP A 64 -16.673 -4.197 -5.962 1.00 0.66 O ATOM 1037 CB TRP A 64 -18.750 -4.462 -3.528 1.00 0.78 C ATOM 1038 CG TRP A 64 -19.118 -4.476 -2.082 1.00 0.88 C ATOM 1039 CD1 TRP A 64 -19.929 -3.599 -1.431 1.00 1.00 C ATOM 1040 CD2 TRP A 64 -18.624 -5.378 -1.095 1.00 0.93 C ATOM 1041 NE1 TRP A 64 -19.986 -3.909 -0.097 1.00 1.09 N ATOM 1042 CE2 TRP A 64 -19.190 -5.003 0.133 1.00 1.05 C ATOM 1043 CE3 TRP A 64 -17.764 -6.474 -1.137 1.00 0.96 C ATOM 1044 CZ2 TRP A 64 -18.914 -5.683 1.313 1.00 1.16 C ATOM 1045 CZ3 TRP A 64 -17.493 -7.149 0.032 1.00 1.10 C ATOM 1046 CH2 TRP A 64 -18.064 -6.753 1.243 1.00 1.18 C ATOM 0 H TRP A 64 -18.176 -2.185 -2.761 1.00 0.61 H new ATOM 0 HA TRP A 64 -16.623 -4.566 -3.456 1.00 0.62 H new ATOM 0 HB2 TRP A 64 -19.497 -3.906 -4.094 1.00 0.78 H new ATOM 0 HB3 TRP A 64 -18.748 -5.480 -3.918 1.00 0.78 H new ATOM 0 HD1 TRP A 64 -20.452 -2.777 -1.898 1.00 1.00 H new ATOM 0 HE1 TRP A 64 -20.529 -3.410 0.607 1.00 1.09 H new ATOM 0 HE3 TRP A 64 -17.318 -6.788 -2.069 1.00 0.96 H new ATOM 0 HZ2 TRP A 64 -19.354 -5.378 2.251 1.00 1.16 H new ATOM 0 HZ3 TRP A 64 -16.827 -7.999 0.012 1.00 1.10 H new ATOM 0 HH2 TRP A 64 -17.830 -7.302 2.143 1.00 1.18 H new ATOM 1057 N GLU A 65 -17.553 -2.182 -5.451 1.00 0.57 N ATOM 1058 CA GLU A 65 -17.329 -1.575 -6.755 1.00 0.55 C ATOM 1059 C GLU A 65 -15.876 -1.708 -7.172 1.00 0.48 C ATOM 1060 O GLU A 65 -15.570 -2.124 -8.281 1.00 0.51 O ATOM 1061 CB GLU A 65 -17.709 -0.099 -6.734 1.00 0.59 C ATOM 1062 CG GLU A 65 -17.184 0.667 -7.934 1.00 0.69 C ATOM 1063 CD GLU A 65 -17.450 2.155 -7.844 1.00 1.11 C ATOM 1064 OE1 GLU A 65 -18.540 2.590 -8.276 1.00 1.59 O ATOM 1065 OE2 GLU A 65 -16.581 2.894 -7.341 1.00 1.28 O ATOM 0 H GLU A 65 -18.024 -1.569 -4.786 1.00 0.57 H new ATOM 0 HA GLU A 65 -17.957 -2.100 -7.474 1.00 0.55 H new ATOM 0 HB2 GLU A 65 -18.795 -0.010 -6.700 1.00 0.59 H new ATOM 0 HB3 GLU A 65 -17.323 0.357 -5.822 1.00 0.59 H new ATOM 0 HG2 GLU A 65 -16.111 0.499 -8.025 1.00 0.69 H new ATOM 0 HG3 GLU A 65 -17.646 0.274 -8.840 1.00 0.69 H new ATOM 1072 N HIS A 66 -14.980 -1.341 -6.276 1.00 0.43 N ATOM 1073 CA HIS A 66 -13.564 -1.467 -6.556 1.00 0.38 C ATOM 1074 C HIS A 66 -13.010 -2.761 -5.984 1.00 0.36 C ATOM 1075 O HIS A 66 -11.823 -3.023 -6.089 1.00 0.35 O ATOM 1076 CB HIS A 66 -12.763 -0.251 -6.069 1.00 0.38 C ATOM 1077 CG HIS A 66 -12.957 0.127 -4.636 1.00 0.40 C ATOM 1078 ND1 HIS A 66 -13.278 1.406 -4.235 1.00 0.47 N ATOM 1079 CD2 HIS A 66 -12.815 -0.592 -3.510 1.00 0.40 C ATOM 1080 CE1 HIS A 66 -13.316 1.454 -2.918 1.00 0.52 C ATOM 1081 NE2 HIS A 66 -13.037 0.254 -2.447 1.00 0.47 N ATOM 0 H HIS A 66 -15.204 -0.957 -5.358 1.00 0.43 H new ATOM 0 HA HIS A 66 -13.453 -1.500 -7.640 1.00 0.38 H new ATOM 0 HB2 HIS A 66 -11.704 -0.449 -6.232 1.00 0.38 H new ATOM 0 HB3 HIS A 66 -13.026 0.606 -6.690 1.00 0.38 H new ATOM 0 HD2 HIS A 66 -12.571 -1.642 -3.450 1.00 0.40 H new ATOM 0 HE1 HIS A 66 -13.538 2.329 -2.325 1.00 0.52 H new ATOM 0 HE2 HIS A 66 -12.993 -0.004 -1.461 1.00 0.47 H new ATOM 1090 N LEU A 67 -13.872 -3.563 -5.367 1.00 0.38 N ATOM 1091 CA LEU A 67 -13.462 -4.871 -4.861 1.00 0.40 C ATOM 1092 C LEU A 67 -13.246 -5.831 -6.023 1.00 0.41 C ATOM 1093 O LEU A 67 -12.608 -6.872 -5.880 1.00 0.43 O ATOM 1094 CB LEU A 67 -14.495 -5.434 -3.878 1.00 0.48 C ATOM 1095 CG LEU A 67 -14.131 -6.768 -3.222 1.00 0.71 C ATOM 1096 CD1 LEU A 67 -14.363 -6.703 -1.724 1.00 1.01 C ATOM 1097 CD2 LEU A 67 -14.941 -7.905 -3.830 1.00 1.59 C ATOM 0 H LEU A 67 -14.853 -3.334 -5.205 1.00 0.38 H new ATOM 0 HA LEU A 67 -12.523 -4.753 -4.320 1.00 0.40 H new ATOM 0 HB2 LEU A 67 -14.660 -4.697 -3.092 1.00 0.48 H new ATOM 0 HB3 LEU A 67 -15.441 -5.556 -4.405 1.00 0.48 H new ATOM 0 HG LEU A 67 -13.074 -6.960 -3.405 1.00 0.71 H new ATOM 0 HD11 LEU A 67 -14.099 -7.660 -1.273 1.00 1.01 H new ATOM 0 HD12 LEU A 67 -13.744 -5.916 -1.294 1.00 1.01 H new ATOM 0 HD13 LEU A 67 -15.413 -6.487 -1.527 1.00 1.01 H new ATOM 0 HD21 LEU A 67 -14.667 -8.844 -3.350 1.00 1.59 H new ATOM 0 HD22 LEU A 67 -16.004 -7.716 -3.678 1.00 1.59 H new ATOM 0 HD23 LEU A 67 -14.733 -7.969 -4.898 1.00 1.59 H new ATOM 1109 N ASN A 68 -13.767 -5.456 -7.179 1.00 0.43 N ATOM 1110 CA ASN A 68 -13.546 -6.243 -8.394 1.00 0.47 C ATOM 1111 C ASN A 68 -12.331 -5.719 -9.145 1.00 0.44 C ATOM 1112 O ASN A 68 -12.039 -6.138 -10.266 1.00 0.52 O ATOM 1113 CB ASN A 68 -14.780 -6.269 -9.303 1.00 0.57 C ATOM 1114 CG ASN A 68 -15.506 -4.948 -9.365 1.00 0.84 C ATOM 1115 OD1 ASN A 68 -16.502 -4.801 -8.504 1.00 1.86 O flip ATOM 1116 ND2 ASN A 68 -15.192 -4.086 -10.188 1.00 0.58 N flip ATOM 0 H ASN A 68 -14.340 -4.622 -7.308 1.00 0.43 H new ATOM 0 HA ASN A 68 -13.359 -7.272 -8.088 1.00 0.47 H new ATOM 0 HB2 ASN A 68 -14.475 -6.555 -10.310 1.00 0.57 H new ATOM 0 HB3 ASN A 68 -15.468 -7.037 -8.948 1.00 0.57 H new ATOM 0 HD21 ASN A 68 -14.416 -4.251 -10.828 1.00 0.58 H new ATOM 0 HD22 ASN A 68 -15.709 -3.207 -10.229 1.00 0.58 H new ATOM 1123 N GLU A 69 -11.632 -4.791 -8.515 1.00 0.37 N ATOM 1124 CA GLU A 69 -10.328 -4.351 -8.983 1.00 0.37 C ATOM 1125 C GLU A 69 -9.259 -5.096 -8.193 1.00 0.32 C ATOM 1126 O GLU A 69 -9.555 -5.665 -7.139 1.00 0.35 O ATOM 1127 CB GLU A 69 -10.159 -2.838 -8.788 1.00 0.38 C ATOM 1128 CG GLU A 69 -11.196 -1.994 -9.516 1.00 0.45 C ATOM 1129 CD GLU A 69 -10.917 -0.504 -9.413 1.00 1.07 C ATOM 1130 OE1 GLU A 69 -9.846 -0.050 -9.874 1.00 1.39 O ATOM 1131 OE2 GLU A 69 -11.773 0.226 -8.872 1.00 1.85 O ATOM 0 H GLU A 69 -11.951 -4.322 -7.667 1.00 0.37 H new ATOM 0 HA GLU A 69 -10.234 -4.565 -10.048 1.00 0.37 H new ATOM 0 HB2 GLU A 69 -10.207 -2.613 -7.723 1.00 0.38 H new ATOM 0 HB3 GLU A 69 -9.166 -2.548 -9.130 1.00 0.38 H new ATOM 0 HG2 GLU A 69 -11.221 -2.283 -10.567 1.00 0.45 H new ATOM 0 HG3 GLU A 69 -12.183 -2.204 -9.104 1.00 0.45 H new ATOM 1138 N ASP A 70 -8.030 -5.117 -8.683 1.00 0.32 N ATOM 1139 CA ASP A 70 -6.950 -5.732 -7.923 1.00 0.30 C ATOM 1140 C ASP A 70 -6.537 -4.799 -6.802 1.00 0.22 C ATOM 1141 O ASP A 70 -6.497 -3.587 -6.996 1.00 0.24 O ATOM 1142 CB ASP A 70 -5.749 -6.054 -8.810 1.00 0.41 C ATOM 1143 CG ASP A 70 -4.772 -6.990 -8.125 1.00 0.63 C ATOM 1144 OD1 ASP A 70 -5.169 -8.136 -7.813 1.00 1.21 O ATOM 1145 OD2 ASP A 70 -3.609 -6.596 -7.915 1.00 1.10 O ATOM 0 H ASP A 70 -7.757 -4.725 -9.584 1.00 0.32 H new ATOM 0 HA ASP A 70 -7.311 -6.674 -7.510 1.00 0.30 H new ATOM 0 HB2 ASP A 70 -6.095 -6.508 -9.739 1.00 0.41 H new ATOM 0 HB3 ASP A 70 -5.238 -5.129 -9.078 1.00 0.41 H new ATOM 1150 N LEU A 71 -6.249 -5.365 -5.636 1.00 0.19 N ATOM 1151 CA LEU A 71 -5.985 -4.577 -4.434 1.00 0.17 C ATOM 1152 C LEU A 71 -4.857 -3.569 -4.656 1.00 0.17 C ATOM 1153 O LEU A 71 -3.706 -3.929 -4.868 1.00 0.20 O ATOM 1154 CB LEU A 71 -5.648 -5.498 -3.262 1.00 0.19 C ATOM 1155 CG LEU A 71 -5.380 -4.792 -1.932 1.00 0.41 C ATOM 1156 CD1 LEU A 71 -6.457 -3.755 -1.653 1.00 0.90 C ATOM 1157 CD2 LEU A 71 -5.324 -5.811 -0.806 1.00 0.79 C ATOM 0 H LEU A 71 -6.192 -6.374 -5.495 1.00 0.19 H new ATOM 0 HA LEU A 71 -6.890 -4.016 -4.200 1.00 0.17 H new ATOM 0 HB2 LEU A 71 -6.472 -6.198 -3.123 1.00 0.19 H new ATOM 0 HB3 LEU A 71 -4.770 -6.087 -3.525 1.00 0.19 H new ATOM 0 HG LEU A 71 -4.419 -4.281 -1.994 1.00 0.41 H new ATOM 0 HD11 LEU A 71 -6.250 -3.262 -0.703 1.00 0.90 H new ATOM 0 HD12 LEU A 71 -6.464 -3.014 -2.452 1.00 0.90 H new ATOM 0 HD13 LEU A 71 -7.430 -4.245 -1.604 1.00 0.90 H new ATOM 0 HD21 LEU A 71 -5.133 -5.300 0.138 1.00 0.79 H new ATOM 0 HD22 LEU A 71 -6.275 -6.340 -0.746 1.00 0.79 H new ATOM 0 HD23 LEU A 71 -4.524 -6.525 -1.001 1.00 0.79 H new ATOM 1169 N HIS A 72 -5.211 -2.302 -4.653 1.00 0.17 N ATOM 1170 CA HIS A 72 -4.239 -1.237 -4.775 1.00 0.17 C ATOM 1171 C HIS A 72 -4.683 -0.030 -3.965 1.00 0.17 C ATOM 1172 O HIS A 72 -5.838 0.056 -3.554 1.00 0.21 O ATOM 1173 CB HIS A 72 -4.031 -0.857 -6.242 1.00 0.20 C ATOM 1174 CG HIS A 72 -5.249 -0.326 -6.942 1.00 0.23 C ATOM 1175 ND1 HIS A 72 -6.064 -1.121 -7.712 1.00 0.29 N ATOM 1176 CD2 HIS A 72 -5.773 0.922 -7.013 1.00 0.25 C ATOM 1177 CE1 HIS A 72 -7.027 -0.393 -8.234 1.00 0.32 C ATOM 1178 NE2 HIS A 72 -6.877 0.852 -7.827 1.00 0.29 N ATOM 0 H HIS A 72 -6.176 -1.982 -4.566 1.00 0.17 H new ATOM 0 HA HIS A 72 -3.286 -1.590 -4.381 1.00 0.17 H new ATOM 0 HB2 HIS A 72 -3.243 -0.106 -6.298 1.00 0.20 H new ATOM 0 HB3 HIS A 72 -3.675 -1.735 -6.781 1.00 0.20 H new ATOM 0 HD1 HIS A 72 -5.941 -2.123 -7.857 1.00 0.29 H new ATOM 0 HD2 HIS A 72 -5.394 1.806 -6.522 1.00 0.25 H new ATOM 0 HE1 HIS A 72 -7.809 -0.754 -8.886 1.00 0.32 H new ATOM 1187 N VAL A 73 -3.781 0.907 -3.757 1.00 0.19 N ATOM 1188 CA VAL A 73 -4.113 2.118 -3.025 1.00 0.19 C ATOM 1189 C VAL A 73 -4.305 3.255 -4.013 1.00 0.20 C ATOM 1190 O VAL A 73 -3.547 3.387 -4.972 1.00 0.28 O ATOM 1191 CB VAL A 73 -3.038 2.491 -1.976 1.00 0.23 C ATOM 1192 CG1 VAL A 73 -2.986 1.444 -0.874 1.00 0.27 C ATOM 1193 CG2 VAL A 73 -1.670 2.648 -2.623 1.00 0.29 C ATOM 0 H VAL A 73 -2.815 0.857 -4.082 1.00 0.19 H new ATOM 0 HA VAL A 73 -5.035 1.937 -2.473 1.00 0.19 H new ATOM 0 HB VAL A 73 -3.315 3.449 -1.537 1.00 0.23 H new ATOM 0 HG11 VAL A 73 -2.225 1.721 -0.144 1.00 0.27 H new ATOM 0 HG12 VAL A 73 -3.957 1.386 -0.382 1.00 0.27 H new ATOM 0 HG13 VAL A 73 -2.739 0.474 -1.305 1.00 0.27 H new ATOM 0 HG21 VAL A 73 -0.935 2.910 -1.862 1.00 0.29 H new ATOM 0 HG22 VAL A 73 -1.382 1.710 -3.097 1.00 0.29 H new ATOM 0 HG23 VAL A 73 -1.711 3.437 -3.374 1.00 0.29 H new ATOM 1203 N LEU A 74 -5.343 4.035 -3.816 1.00 0.18 N ATOM 1204 CA LEU A 74 -5.666 5.100 -4.742 1.00 0.18 C ATOM 1205 C LEU A 74 -5.793 6.412 -4.007 1.00 0.18 C ATOM 1206 O LEU A 74 -6.744 6.621 -3.261 1.00 0.19 O ATOM 1207 CB LEU A 74 -6.975 4.772 -5.477 1.00 0.22 C ATOM 1208 CG LEU A 74 -7.253 5.558 -6.766 1.00 0.37 C ATOM 1209 CD1 LEU A 74 -8.455 4.975 -7.480 1.00 1.10 C ATOM 1210 CD2 LEU A 74 -7.501 7.027 -6.481 1.00 0.80 C ATOM 0 H LEU A 74 -5.979 3.953 -3.023 1.00 0.18 H new ATOM 0 HA LEU A 74 -4.862 5.190 -5.473 1.00 0.18 H new ATOM 0 HB2 LEU A 74 -6.973 3.709 -5.719 1.00 0.22 H new ATOM 0 HB3 LEU A 74 -7.804 4.941 -4.789 1.00 0.22 H new ATOM 0 HG LEU A 74 -6.370 5.476 -7.399 1.00 0.37 H new ATOM 0 HD11 LEU A 74 -8.645 5.539 -8.393 1.00 1.10 H new ATOM 0 HD12 LEU A 74 -8.259 3.933 -7.731 1.00 1.10 H new ATOM 0 HD13 LEU A 74 -9.328 5.033 -6.830 1.00 1.10 H new ATOM 0 HD21 LEU A 74 -7.694 7.552 -7.417 1.00 0.80 H new ATOM 0 HD22 LEU A 74 -8.364 7.129 -5.823 1.00 0.80 H new ATOM 0 HD23 LEU A 74 -6.623 7.457 -5.998 1.00 0.80 H new ATOM 1222 N ILE A 75 -4.845 7.297 -4.227 1.00 0.19 N ATOM 1223 CA ILE A 75 -4.980 8.645 -3.744 1.00 0.18 C ATOM 1224 C ILE A 75 -5.810 9.436 -4.731 1.00 0.18 C ATOM 1225 O ILE A 75 -5.370 9.734 -5.841 1.00 0.21 O ATOM 1226 CB ILE A 75 -3.622 9.342 -3.533 1.00 0.21 C ATOM 1227 CG1 ILE A 75 -2.605 8.867 -4.567 1.00 0.27 C ATOM 1228 CG2 ILE A 75 -3.115 9.117 -2.122 1.00 0.22 C ATOM 1229 CD1 ILE A 75 -1.434 9.805 -4.727 1.00 0.30 C ATOM 0 H ILE A 75 -3.981 7.105 -4.734 1.00 0.19 H new ATOM 0 HA ILE A 75 -5.468 8.602 -2.770 1.00 0.18 H new ATOM 0 HB ILE A 75 -3.763 10.414 -3.670 1.00 0.21 H new ATOM 0 HG12 ILE A 75 -2.236 7.883 -4.278 1.00 0.27 H new ATOM 0 HG13 ILE A 75 -3.103 8.751 -5.530 1.00 0.27 H new ATOM 0 HG21 ILE A 75 -2.155 9.618 -1.996 1.00 0.22 H new ATOM 0 HG22 ILE A 75 -3.832 9.523 -1.409 1.00 0.22 H new ATOM 0 HG23 ILE A 75 -2.992 8.048 -1.946 1.00 0.22 H new ATOM 0 HD11 ILE A 75 -0.750 9.408 -5.477 1.00 0.30 H new ATOM 0 HD12 ILE A 75 -1.793 10.784 -5.045 1.00 0.30 H new ATOM 0 HD13 ILE A 75 -0.913 9.902 -3.775 1.00 0.30 H new ATOM 1241 N THR A 76 -7.024 9.739 -4.333 1.00 0.17 N ATOM 1242 CA THR A 76 -7.914 10.526 -5.154 1.00 0.20 C ATOM 1243 C THR A 76 -7.986 11.949 -4.633 1.00 0.19 C ATOM 1244 O THR A 76 -8.398 12.176 -3.498 1.00 0.22 O ATOM 1245 CB THR A 76 -9.329 9.933 -5.142 1.00 0.24 C ATOM 1246 OG1 THR A 76 -9.329 8.675 -4.456 1.00 0.25 O ATOM 1247 CG2 THR A 76 -9.842 9.737 -6.545 1.00 0.31 C ATOM 0 H THR A 76 -7.420 9.450 -3.439 1.00 0.17 H new ATOM 0 HA THR A 76 -7.523 10.519 -6.171 1.00 0.20 H new ATOM 0 HB THR A 76 -9.984 10.633 -4.624 1.00 0.24 H new ATOM 0 HG1 THR A 76 -9.589 8.812 -3.521 1.00 0.25 H new ATOM 0 HG21 THR A 76 -10.847 9.316 -6.510 1.00 0.31 H new ATOM 0 HG22 THR A 76 -9.869 10.697 -7.060 1.00 0.31 H new ATOM 0 HG23 THR A 76 -9.182 9.056 -7.082 1.00 0.31 H new ATOM 1255 N VAL A 77 -7.584 12.905 -5.443 1.00 0.23 N ATOM 1256 CA VAL A 77 -7.595 14.287 -5.023 1.00 0.25 C ATOM 1257 C VAL A 77 -8.517 15.113 -5.908 1.00 0.33 C ATOM 1258 O VAL A 77 -8.385 15.133 -7.137 1.00 0.44 O ATOM 1259 CB VAL A 77 -6.173 14.887 -5.024 1.00 0.35 C ATOM 1260 CG1 VAL A 77 -5.563 14.850 -6.416 1.00 0.75 C ATOM 1261 CG2 VAL A 77 -6.188 16.303 -4.481 1.00 0.86 C ATOM 0 H VAL A 77 -7.247 12.750 -6.393 1.00 0.23 H new ATOM 0 HA VAL A 77 -7.973 14.316 -4.001 1.00 0.25 H new ATOM 0 HB VAL A 77 -5.551 14.276 -4.370 1.00 0.35 H new ATOM 0 HG11 VAL A 77 -4.561 15.279 -6.386 1.00 0.75 H new ATOM 0 HG12 VAL A 77 -5.505 13.818 -6.761 1.00 0.75 H new ATOM 0 HG13 VAL A 77 -6.184 15.427 -7.101 1.00 0.75 H new ATOM 0 HG21 VAL A 77 -5.176 16.707 -4.490 1.00 0.86 H new ATOM 0 HG22 VAL A 77 -6.833 16.924 -5.103 1.00 0.86 H new ATOM 0 HG23 VAL A 77 -6.567 16.297 -3.459 1.00 0.86 H new ATOM 1271 N GLU A 78 -9.482 15.760 -5.283 1.00 0.37 N ATOM 1272 CA GLU A 78 -10.357 16.662 -5.996 1.00 0.50 C ATOM 1273 C GLU A 78 -9.744 18.054 -5.983 1.00 0.63 C ATOM 1274 O GLU A 78 -9.952 18.831 -5.051 1.00 0.77 O ATOM 1275 CB GLU A 78 -11.752 16.663 -5.369 1.00 0.63 C ATOM 1276 CG GLU A 78 -12.418 15.295 -5.397 1.00 0.62 C ATOM 1277 CD GLU A 78 -13.800 15.293 -4.778 1.00 1.09 C ATOM 1278 OE1 GLU A 78 -14.726 15.883 -5.370 1.00 1.55 O ATOM 1279 OE2 GLU A 78 -13.964 14.713 -3.685 1.00 1.63 O ATOM 0 H GLU A 78 -9.677 15.676 -4.285 1.00 0.37 H new ATOM 0 HA GLU A 78 -10.466 16.332 -7.029 1.00 0.50 H new ATOM 0 HB2 GLU A 78 -11.680 17.005 -4.336 1.00 0.63 H new ATOM 0 HB3 GLU A 78 -12.382 17.378 -5.898 1.00 0.63 H new ATOM 0 HG2 GLU A 78 -12.489 14.953 -6.430 1.00 0.62 H new ATOM 0 HG3 GLU A 78 -11.788 14.580 -4.867 1.00 0.62 H new ATOM 1286 N ASP A 79 -8.970 18.329 -7.023 1.00 0.66 N ATOM 1287 CA ASP A 79 -8.243 19.582 -7.184 1.00 0.84 C ATOM 1288 C ASP A 79 -7.447 19.487 -8.479 1.00 0.75 C ATOM 1289 O ASP A 79 -7.109 18.384 -8.913 1.00 1.08 O ATOM 1290 CB ASP A 79 -7.295 19.836 -6.000 1.00 1.20 C ATOM 1291 CG ASP A 79 -6.799 21.272 -5.931 1.00 1.67 C ATOM 1292 OD1 ASP A 79 -5.990 21.673 -6.790 1.00 1.81 O ATOM 1293 OD2 ASP A 79 -7.225 22.009 -5.012 1.00 2.05 O ATOM 0 H ASP A 79 -8.826 17.676 -7.793 1.00 0.66 H new ATOM 0 HA ASP A 79 -8.947 20.414 -7.217 1.00 0.84 H new ATOM 0 HB2 ASP A 79 -7.810 19.591 -5.071 1.00 1.20 H new ATOM 0 HB3 ASP A 79 -6.439 19.165 -6.077 1.00 1.20 H new ATOM 1298 N ALA A 80 -7.164 20.617 -9.105 1.00 0.91 N ATOM 1299 CA ALA A 80 -6.498 20.618 -10.401 1.00 1.17 C ATOM 1300 C ALA A 80 -4.998 20.886 -10.275 1.00 1.09 C ATOM 1301 O ALA A 80 -4.259 20.787 -11.259 1.00 1.60 O ATOM 1302 CB ALA A 80 -7.140 21.650 -11.314 1.00 1.85 C ATOM 0 H ALA A 80 -7.383 21.544 -8.740 1.00 0.91 H new ATOM 0 HA ALA A 80 -6.616 19.624 -10.833 1.00 1.17 H new ATOM 0 HB1 ALA A 80 -6.636 21.644 -12.281 1.00 1.85 H new ATOM 0 HB2 ALA A 80 -8.194 21.408 -11.453 1.00 1.85 H new ATOM 0 HB3 ALA A 80 -7.051 22.639 -10.864 1.00 1.85 H new ATOM 1308 N GLN A 81 -4.550 21.219 -9.072 1.00 1.04 N ATOM 1309 CA GLN A 81 -3.174 21.656 -8.864 1.00 1.65 C ATOM 1310 C GLN A 81 -2.233 20.505 -8.518 1.00 0.98 C ATOM 1311 O GLN A 81 -2.574 19.587 -7.761 1.00 0.75 O ATOM 1312 CB GLN A 81 -3.126 22.725 -7.778 1.00 2.75 C ATOM 1313 CG GLN A 81 -3.769 24.029 -8.214 1.00 3.72 C ATOM 1314 CD GLN A 81 -3.932 25.016 -7.081 1.00 4.69 C ATOM 1315 OE1 GLN A 81 -3.171 25.006 -6.115 1.00 5.14 O ATOM 1316 NE2 GLN A 81 -4.920 25.883 -7.199 1.00 5.39 N ATOM 0 H GLN A 81 -5.118 21.195 -8.225 1.00 1.04 H new ATOM 0 HA GLN A 81 -2.824 22.074 -9.808 1.00 1.65 H new ATOM 0 HB2 GLN A 81 -3.632 22.355 -6.886 1.00 2.75 H new ATOM 0 HB3 GLN A 81 -2.088 22.911 -7.502 1.00 2.75 H new ATOM 0 HG2 GLN A 81 -3.163 24.482 -8.998 1.00 3.72 H new ATOM 0 HG3 GLN A 81 -4.746 23.818 -8.648 1.00 3.72 H new ATOM 0 HE21 GLN A 81 -5.528 25.855 -8.018 1.00 5.39 H new ATOM 0 HE22 GLN A 81 -5.076 26.581 -6.471 1.00 5.39 H new ATOM 1325 N ASN A 82 -1.024 20.582 -9.061 1.00 0.84 N ATOM 1326 CA ASN A 82 -0.022 19.544 -8.856 1.00 0.71 C ATOM 1327 C ASN A 82 0.615 19.668 -7.476 1.00 0.59 C ATOM 1328 O ASN A 82 1.294 18.755 -7.015 1.00 0.56 O ATOM 1329 CB ASN A 82 1.055 19.595 -9.946 1.00 1.13 C ATOM 1330 CG ASN A 82 0.479 19.439 -11.343 1.00 1.74 C ATOM 1331 OD1 ASN A 82 0.215 20.424 -12.033 1.00 2.48 O ATOM 1332 ND2 ASN A 82 0.246 18.206 -11.762 1.00 2.28 N ATOM 0 H ASN A 82 -0.713 21.356 -9.649 1.00 0.84 H new ATOM 0 HA ASN A 82 -0.526 18.580 -8.918 1.00 0.71 H new ATOM 0 HB2 ASN A 82 1.588 20.543 -9.881 1.00 1.13 H new ATOM 0 HB3 ASN A 82 1.785 18.806 -9.768 1.00 1.13 H new ATOM 0 HD21 ASN A 82 -0.165 18.049 -12.682 1.00 2.28 H new ATOM 0 HD22 ASN A 82 0.477 17.412 -11.165 1.00 2.28 H new ATOM 1339 N ARG A 83 0.399 20.801 -6.818 1.00 0.65 N ATOM 1340 CA ARG A 83 0.827 20.956 -5.433 1.00 0.63 C ATOM 1341 C ARG A 83 -0.032 20.074 -4.544 1.00 0.46 C ATOM 1342 O ARG A 83 0.461 19.450 -3.599 1.00 0.43 O ATOM 1343 CB ARG A 83 0.722 22.409 -4.978 1.00 0.81 C ATOM 1344 CG ARG A 83 1.602 23.370 -5.756 1.00 1.66 C ATOM 1345 CD ARG A 83 1.490 24.775 -5.194 1.00 2.10 C ATOM 1346 NE ARG A 83 0.097 25.204 -5.109 1.00 2.64 N ATOM 1347 CZ ARG A 83 -0.503 25.563 -3.975 1.00 3.34 C ATOM 1348 NH1 ARG A 83 0.183 25.618 -2.838 1.00 3.68 N ATOM 1349 NH2 ARG A 83 -1.794 25.872 -3.985 1.00 4.17 N ATOM 0 H ARG A 83 -0.065 21.618 -7.216 1.00 0.65 H new ATOM 0 HA ARG A 83 1.873 20.657 -5.358 1.00 0.63 H new ATOM 0 HB2 ARG A 83 -0.315 22.731 -5.066 1.00 0.81 H new ATOM 0 HB3 ARG A 83 0.985 22.467 -3.922 1.00 0.81 H new ATOM 0 HG2 ARG A 83 2.639 23.037 -5.713 1.00 1.66 H new ATOM 0 HG3 ARG A 83 1.310 23.369 -6.806 1.00 1.66 H new ATOM 0 HD2 ARG A 83 1.944 24.810 -4.204 1.00 2.10 H new ATOM 0 HD3 ARG A 83 2.048 25.467 -5.825 1.00 2.10 H new ATOM 0 HE ARG A 83 -0.450 25.230 -5.970 1.00 2.64 H new ATOM 0 HH11 ARG A 83 1.176 25.384 -2.830 1.00 3.68 H new ATOM 0 HH12 ARG A 83 -0.283 25.894 -1.974 1.00 3.68 H new ATOM 0 HH21 ARG A 83 -2.321 25.834 -4.858 1.00 4.17 H new ATOM 0 HH22 ARG A 83 -2.259 26.148 -3.120 1.00 4.17 H new ATOM 1363 N ALA A 84 -1.323 20.020 -4.869 1.00 0.43 N ATOM 1364 CA ALA A 84 -2.247 19.135 -4.188 1.00 0.38 C ATOM 1365 C ALA A 84 -1.755 17.712 -4.306 1.00 0.29 C ATOM 1366 O ALA A 84 -1.427 17.085 -3.298 1.00 0.35 O ATOM 1367 CB ALA A 84 -3.656 19.253 -4.758 1.00 0.49 C ATOM 0 H ALA A 84 -1.748 20.585 -5.605 1.00 0.43 H new ATOM 0 HA ALA A 84 -2.291 19.425 -3.138 1.00 0.38 H new ATOM 0 HB1 ALA A 84 -4.322 18.576 -4.224 1.00 0.49 H new ATOM 0 HB2 ALA A 84 -4.011 20.277 -4.642 1.00 0.49 H new ATOM 0 HB3 ALA A 84 -3.644 18.991 -5.816 1.00 0.49 H new ATOM 1373 N GLU A 85 -1.638 17.228 -5.547 1.00 0.25 N ATOM 1374 CA GLU A 85 -1.247 15.841 -5.780 1.00 0.26 C ATOM 1375 C GLU A 85 0.102 15.548 -5.129 1.00 0.28 C ATOM 1376 O GLU A 85 0.324 14.451 -4.633 1.00 0.34 O ATOM 1377 CB GLU A 85 -1.184 15.501 -7.277 1.00 0.34 C ATOM 1378 CG GLU A 85 -0.018 16.146 -8.009 1.00 0.49 C ATOM 1379 CD GLU A 85 0.347 15.429 -9.293 1.00 0.79 C ATOM 1380 OE1 GLU A 85 1.022 14.378 -9.221 1.00 1.31 O ATOM 1381 OE2 GLU A 85 -0.021 15.915 -10.381 1.00 1.24 O ATOM 0 H GLU A 85 -1.807 17.771 -6.394 1.00 0.25 H new ATOM 0 HA GLU A 85 -2.015 15.214 -5.327 1.00 0.26 H new ATOM 0 HB2 GLU A 85 -1.117 14.419 -7.391 1.00 0.34 H new ATOM 0 HB3 GLU A 85 -2.115 15.815 -7.750 1.00 0.34 H new ATOM 0 HG2 GLU A 85 -0.268 17.182 -8.237 1.00 0.49 H new ATOM 0 HG3 GLU A 85 0.851 16.165 -7.351 1.00 0.49 H new ATOM 1388 N LEU A 86 0.976 16.553 -5.099 1.00 0.30 N ATOM 1389 CA LEU A 86 2.303 16.415 -4.513 1.00 0.36 C ATOM 1390 C LEU A 86 2.197 16.067 -3.027 1.00 0.28 C ATOM 1391 O LEU A 86 2.983 15.271 -2.505 1.00 0.28 O ATOM 1392 CB LEU A 86 3.090 17.724 -4.720 1.00 0.47 C ATOM 1393 CG LEU A 86 4.600 17.692 -4.423 1.00 0.73 C ATOM 1394 CD1 LEU A 86 4.878 17.773 -2.930 1.00 1.45 C ATOM 1395 CD2 LEU A 86 5.242 16.449 -5.021 1.00 1.47 C ATOM 0 H LEU A 86 0.783 17.480 -5.479 1.00 0.30 H new ATOM 0 HA LEU A 86 2.836 15.602 -5.006 1.00 0.36 H new ATOM 0 HB2 LEU A 86 2.956 18.039 -5.755 1.00 0.47 H new ATOM 0 HB3 LEU A 86 2.639 18.492 -4.092 1.00 0.47 H new ATOM 0 HG LEU A 86 5.045 18.570 -4.891 1.00 0.73 H new ATOM 0 HD11 LEU A 86 5.954 17.748 -2.758 1.00 1.45 H new ATOM 0 HD12 LEU A 86 4.469 18.702 -2.534 1.00 1.45 H new ATOM 0 HD13 LEU A 86 4.410 16.927 -2.426 1.00 1.45 H new ATOM 0 HD21 LEU A 86 6.309 16.448 -4.799 1.00 1.47 H new ATOM 0 HD22 LEU A 86 4.781 15.559 -4.592 1.00 1.47 H new ATOM 0 HD23 LEU A 86 5.097 16.448 -6.101 1.00 1.47 H new ATOM 1407 N LYS A 87 1.220 16.648 -2.350 1.00 0.24 N ATOM 1408 CA LYS A 87 1.065 16.427 -0.921 1.00 0.22 C ATOM 1409 C LYS A 87 0.566 15.003 -0.647 1.00 0.18 C ATOM 1410 O LYS A 87 1.095 14.302 0.218 1.00 0.20 O ATOM 1411 CB LYS A 87 0.115 17.472 -0.322 1.00 0.27 C ATOM 1412 CG LYS A 87 0.187 17.560 1.198 1.00 0.29 C ATOM 1413 CD LYS A 87 -0.801 18.574 1.757 1.00 0.75 C ATOM 1414 CE LYS A 87 -0.409 20.008 1.437 1.00 1.40 C ATOM 1415 NZ LYS A 87 0.768 20.455 2.229 1.00 1.74 N ATOM 0 H LYS A 87 0.527 17.272 -2.763 1.00 0.24 H new ATOM 0 HA LYS A 87 2.037 16.538 -0.441 1.00 0.22 H new ATOM 0 HB2 LYS A 87 0.348 18.449 -0.746 1.00 0.27 H new ATOM 0 HB3 LYS A 87 -0.907 17.233 -0.616 1.00 0.27 H new ATOM 0 HG2 LYS A 87 -0.017 16.579 1.628 1.00 0.29 H new ATOM 0 HG3 LYS A 87 1.198 17.835 1.498 1.00 0.29 H new ATOM 0 HD2 LYS A 87 -1.792 18.373 1.351 1.00 0.75 H new ATOM 0 HD3 LYS A 87 -0.869 18.452 2.838 1.00 0.75 H new ATOM 0 HE2 LYS A 87 -0.184 20.093 0.374 1.00 1.40 H new ATOM 0 HE3 LYS A 87 -1.253 20.668 1.638 1.00 1.40 H new ATOM 0 HZ1 LYS A 87 0.939 21.466 2.056 1.00 1.74 H new ATOM 0 HZ2 LYS A 87 0.583 20.303 3.241 1.00 1.74 H new ATOM 0 HZ3 LYS A 87 1.606 19.909 1.944 1.00 1.74 H new ATOM 1429 N LEU A 88 -0.438 14.569 -1.397 1.00 0.19 N ATOM 1430 CA LEU A 88 -0.972 13.216 -1.233 1.00 0.21 C ATOM 1431 C LEU A 88 -0.010 12.156 -1.753 1.00 0.21 C ATOM 1432 O LEU A 88 0.104 11.085 -1.161 1.00 0.22 O ATOM 1433 CB LEU A 88 -2.333 13.068 -1.898 1.00 0.30 C ATOM 1434 CG LEU A 88 -2.519 13.853 -3.190 1.00 0.54 C ATOM 1435 CD1 LEU A 88 -3.162 12.993 -4.253 1.00 1.09 C ATOM 1436 CD2 LEU A 88 -3.377 15.074 -2.928 1.00 1.33 C ATOM 0 H LEU A 88 -0.898 15.124 -2.119 1.00 0.19 H new ATOM 0 HA LEU A 88 -1.095 13.058 -0.162 1.00 0.21 H new ATOM 0 HB2 LEU A 88 -2.503 12.012 -2.107 1.00 0.30 H new ATOM 0 HB3 LEU A 88 -3.100 13.380 -1.190 1.00 0.30 H new ATOM 0 HG LEU A 88 -1.539 14.167 -3.548 1.00 0.54 H new ATOM 0 HD11 LEU A 88 -3.285 13.575 -5.167 1.00 1.09 H new ATOM 0 HD12 LEU A 88 -2.528 12.130 -4.455 1.00 1.09 H new ATOM 0 HD13 LEU A 88 -4.138 12.653 -3.905 1.00 1.09 H new ATOM 0 HD21 LEU A 88 -3.508 15.633 -3.855 1.00 1.33 H new ATOM 0 HD22 LEU A 88 -4.351 14.760 -2.553 1.00 1.33 H new ATOM 0 HD23 LEU A 88 -2.890 15.709 -2.187 1.00 1.33 H new ATOM 1448 N LYS A 89 0.689 12.448 -2.843 1.00 0.26 N ATOM 1449 CA LYS A 89 1.602 11.471 -3.430 1.00 0.31 C ATOM 1450 C LYS A 89 2.742 11.158 -2.465 1.00 0.29 C ATOM 1451 O LYS A 89 3.162 10.014 -2.367 1.00 0.30 O ATOM 1452 CB LYS A 89 2.139 11.936 -4.800 1.00 0.41 C ATOM 1453 CG LYS A 89 3.006 13.186 -4.769 1.00 0.47 C ATOM 1454 CD LYS A 89 4.471 12.877 -4.498 1.00 0.90 C ATOM 1455 CE LYS A 89 5.126 12.181 -5.676 1.00 1.05 C ATOM 1456 NZ LYS A 89 6.555 11.866 -5.417 1.00 2.07 N ATOM 0 H LYS A 89 0.644 13.341 -3.334 1.00 0.26 H new ATOM 0 HA LYS A 89 1.039 10.554 -3.606 1.00 0.31 H new ATOM 0 HB2 LYS A 89 2.718 11.124 -5.240 1.00 0.41 H new ATOM 0 HB3 LYS A 89 1.292 12.118 -5.461 1.00 0.41 H new ATOM 0 HG2 LYS A 89 2.919 13.707 -5.722 1.00 0.47 H new ATOM 0 HG3 LYS A 89 2.633 13.863 -4.000 1.00 0.47 H new ATOM 0 HD2 LYS A 89 5.004 13.803 -4.280 1.00 0.90 H new ATOM 0 HD3 LYS A 89 4.552 12.247 -3.612 1.00 0.90 H new ATOM 0 HE2 LYS A 89 4.587 11.260 -5.897 1.00 1.05 H new ATOM 0 HE3 LYS A 89 5.050 12.815 -6.559 1.00 1.05 H new ATOM 0 HZ1 LYS A 89 7.152 12.372 -6.102 1.00 2.07 H new ATOM 0 HZ2 LYS A 89 6.807 12.163 -4.453 1.00 2.07 H new ATOM 0 HZ3 LYS A 89 6.708 10.842 -5.515 1.00 2.07 H new ATOM 1470 N ARG A 90 3.223 12.162 -1.733 1.00 0.27 N ATOM 1471 CA ARG A 90 4.307 11.934 -0.780 1.00 0.30 C ATOM 1472 C ARG A 90 3.796 11.122 0.405 1.00 0.25 C ATOM 1473 O ARG A 90 4.498 10.253 0.931 1.00 0.28 O ATOM 1474 CB ARG A 90 4.940 13.251 -0.299 1.00 0.36 C ATOM 1475 CG ARG A 90 4.026 14.106 0.560 1.00 0.35 C ATOM 1476 CD ARG A 90 4.734 14.599 1.811 1.00 0.75 C ATOM 1477 NE ARG A 90 5.827 15.526 1.514 1.00 1.44 N ATOM 1478 CZ ARG A 90 6.637 16.041 2.441 1.00 1.98 C ATOM 1479 NH1 ARG A 90 6.544 15.652 3.707 1.00 2.10 N ATOM 1480 NH2 ARG A 90 7.559 16.930 2.100 1.00 2.93 N ATOM 0 H ARG A 90 2.887 13.124 -1.779 1.00 0.27 H new ATOM 0 HA ARG A 90 5.087 11.372 -1.293 1.00 0.30 H new ATOM 0 HB2 ARG A 90 5.842 13.021 0.268 1.00 0.36 H new ATOM 0 HB3 ARG A 90 5.249 13.831 -1.169 1.00 0.36 H new ATOM 0 HG2 ARG A 90 3.674 14.959 -0.020 1.00 0.35 H new ATOM 0 HG3 ARG A 90 3.146 13.528 0.843 1.00 0.35 H new ATOM 0 HD2 ARG A 90 4.012 15.092 2.462 1.00 0.75 H new ATOM 0 HD3 ARG A 90 5.127 13.744 2.361 1.00 0.75 H new ATOM 0 HE ARG A 90 5.978 15.794 0.542 1.00 1.44 H new ATOM 0 HH11 ARG A 90 5.850 14.955 3.977 1.00 2.10 H new ATOM 0 HH12 ARG A 90 7.167 16.050 4.410 1.00 2.10 H new ATOM 0 HH21 ARG A 90 7.651 17.222 1.127 1.00 2.93 H new ATOM 0 HH22 ARG A 90 8.177 17.322 2.811 1.00 2.93 H new ATOM 1494 N ALA A 91 2.559 11.398 0.814 1.00 0.22 N ATOM 1495 CA ALA A 91 1.939 10.668 1.907 1.00 0.23 C ATOM 1496 C ALA A 91 1.675 9.221 1.509 1.00 0.21 C ATOM 1497 O ALA A 91 1.993 8.294 2.250 1.00 0.24 O ATOM 1498 CB ALA A 91 0.649 11.349 2.321 1.00 0.26 C ATOM 0 H ALA A 91 1.970 12.122 0.402 1.00 0.22 H new ATOM 0 HA ALA A 91 2.624 10.666 2.755 1.00 0.23 H new ATOM 0 HB1 ALA A 91 0.192 10.795 3.141 1.00 0.26 H new ATOM 0 HB2 ALA A 91 0.863 12.367 2.646 1.00 0.26 H new ATOM 0 HB3 ALA A 91 -0.037 11.376 1.474 1.00 0.26 H new ATOM 1504 N VAL A 92 1.101 9.034 0.328 1.00 0.18 N ATOM 1505 CA VAL A 92 0.825 7.705 -0.191 1.00 0.19 C ATOM 1506 C VAL A 92 2.124 6.956 -0.479 1.00 0.22 C ATOM 1507 O VAL A 92 2.157 5.731 -0.478 1.00 0.24 O ATOM 1508 CB VAL A 92 -0.051 7.758 -1.458 1.00 0.22 C ATOM 1509 CG1 VAL A 92 0.765 8.155 -2.672 1.00 0.25 C ATOM 1510 CG2 VAL A 92 -0.755 6.429 -1.680 1.00 0.26 C ATOM 0 H VAL A 92 0.816 9.793 -0.291 1.00 0.18 H new ATOM 0 HA VAL A 92 0.270 7.166 0.577 1.00 0.19 H new ATOM 0 HB VAL A 92 -0.813 8.523 -1.310 1.00 0.22 H new ATOM 0 HG11 VAL A 92 0.120 8.184 -3.550 1.00 0.25 H new ATOM 0 HG12 VAL A 92 1.202 9.140 -2.510 1.00 0.25 H new ATOM 0 HG13 VAL A 92 1.560 7.427 -2.830 1.00 0.25 H new ATOM 0 HG21 VAL A 92 -1.368 6.488 -2.579 1.00 0.26 H new ATOM 0 HG22 VAL A 92 -0.013 5.639 -1.798 1.00 0.26 H new ATOM 0 HG23 VAL A 92 -1.389 6.206 -0.822 1.00 0.26 H new ATOM 1520 N GLU A 93 3.184 7.695 -0.766 1.00 0.25 N ATOM 1521 CA GLU A 93 4.501 7.104 -0.923 1.00 0.31 C ATOM 1522 C GLU A 93 4.990 6.511 0.398 1.00 0.31 C ATOM 1523 O GLU A 93 5.697 5.504 0.419 1.00 0.33 O ATOM 1524 CB GLU A 93 5.480 8.139 -1.469 1.00 0.39 C ATOM 1525 CG GLU A 93 5.485 8.199 -2.989 1.00 0.71 C ATOM 1526 CD GLU A 93 6.314 9.337 -3.549 1.00 1.14 C ATOM 1527 OE1 GLU A 93 6.376 10.412 -2.922 1.00 1.61 O ATOM 1528 OE2 GLU A 93 6.881 9.174 -4.652 1.00 1.63 O ATOM 0 H GLU A 93 3.157 8.706 -0.895 1.00 0.25 H new ATOM 0 HA GLU A 93 4.437 6.288 -1.642 1.00 0.31 H new ATOM 0 HB2 GLU A 93 5.223 9.121 -1.072 1.00 0.39 H new ATOM 0 HB3 GLU A 93 6.484 7.905 -1.116 1.00 0.39 H new ATOM 0 HG2 GLU A 93 5.867 7.256 -3.380 1.00 0.71 H new ATOM 0 HG3 GLU A 93 4.459 8.299 -3.344 1.00 0.71 H new ATOM 1535 N GLU A 94 4.598 7.121 1.504 1.00 0.31 N ATOM 1536 CA GLU A 94 4.832 6.516 2.809 1.00 0.34 C ATOM 1537 C GLU A 94 3.932 5.294 2.992 1.00 0.29 C ATOM 1538 O GLU A 94 4.259 4.377 3.744 1.00 0.29 O ATOM 1539 CB GLU A 94 4.639 7.535 3.932 1.00 0.42 C ATOM 1540 CG GLU A 94 5.745 8.580 3.968 1.00 0.90 C ATOM 1541 CD GLU A 94 5.582 9.594 5.080 1.00 1.40 C ATOM 1542 OE1 GLU A 94 5.756 9.220 6.259 1.00 1.62 O ATOM 1543 OE2 GLU A 94 5.241 10.760 4.783 1.00 2.09 O ATOM 0 H GLU A 94 4.122 8.023 1.528 1.00 0.31 H new ATOM 0 HA GLU A 94 5.868 6.182 2.858 1.00 0.34 H new ATOM 0 HB2 GLU A 94 3.678 8.033 3.805 1.00 0.42 H new ATOM 0 HB3 GLU A 94 4.605 7.014 4.889 1.00 0.42 H new ATOM 0 HG2 GLU A 94 6.705 8.077 4.083 1.00 0.90 H new ATOM 0 HG3 GLU A 94 5.772 9.102 3.012 1.00 0.90 H new ATOM 1550 N VAL A 95 2.806 5.273 2.283 1.00 0.28 N ATOM 1551 CA VAL A 95 1.992 4.064 2.200 1.00 0.26 C ATOM 1552 C VAL A 95 2.702 3.030 1.342 1.00 0.25 C ATOM 1553 O VAL A 95 2.578 1.842 1.578 1.00 0.26 O ATOM 1554 CB VAL A 95 0.578 4.308 1.627 1.00 0.25 C ATOM 1555 CG1 VAL A 95 -0.217 3.001 1.603 1.00 0.48 C ATOM 1556 CG2 VAL A 95 -0.155 5.367 2.437 1.00 0.62 C ATOM 0 H VAL A 95 2.440 6.070 1.763 1.00 0.28 H new ATOM 0 HA VAL A 95 1.864 3.708 3.222 1.00 0.26 H new ATOM 0 HB VAL A 95 0.677 4.672 0.604 1.00 0.25 H new ATOM 0 HG11 VAL A 95 -1.211 3.187 1.197 1.00 0.48 H new ATOM 0 HG12 VAL A 95 0.299 2.272 0.978 1.00 0.48 H new ATOM 0 HG13 VAL A 95 -0.306 2.611 2.617 1.00 0.48 H new ATOM 0 HG21 VAL A 95 -1.148 5.524 2.017 1.00 0.62 H new ATOM 0 HG22 VAL A 95 -0.247 5.035 3.471 1.00 0.62 H new ATOM 0 HG23 VAL A 95 0.404 6.302 2.404 1.00 0.62 H new ATOM 1566 N LYS A 96 3.441 3.484 0.334 1.00 0.26 N ATOM 1567 CA LYS A 96 4.325 2.583 -0.411 1.00 0.30 C ATOM 1568 C LYS A 96 5.293 1.879 0.541 1.00 0.33 C ATOM 1569 O LYS A 96 5.702 0.745 0.300 1.00 0.39 O ATOM 1570 CB LYS A 96 5.112 3.323 -1.494 1.00 0.36 C ATOM 1571 CG LYS A 96 4.294 3.695 -2.717 1.00 0.88 C ATOM 1572 CD LYS A 96 5.169 4.336 -3.780 1.00 1.20 C ATOM 1573 CE LYS A 96 4.437 4.457 -5.102 1.00 1.69 C ATOM 1574 NZ LYS A 96 5.302 5.028 -6.166 1.00 2.00 N ATOM 0 H LYS A 96 3.449 4.453 0.015 1.00 0.26 H new ATOM 0 HA LYS A 96 3.693 1.842 -0.902 1.00 0.30 H new ATOM 0 HB2 LYS A 96 5.534 4.231 -1.064 1.00 0.36 H new ATOM 0 HB3 LYS A 96 5.950 2.700 -1.807 1.00 0.36 H new ATOM 0 HG2 LYS A 96 3.815 2.804 -3.123 1.00 0.88 H new ATOM 0 HG3 LYS A 96 3.498 4.383 -2.432 1.00 0.88 H new ATOM 0 HD2 LYS A 96 5.485 5.324 -3.446 1.00 1.20 H new ATOM 0 HD3 LYS A 96 6.073 3.742 -3.916 1.00 1.20 H new ATOM 0 HE2 LYS A 96 4.082 3.474 -5.412 1.00 1.69 H new ATOM 0 HE3 LYS A 96 3.557 5.087 -4.973 1.00 1.69 H new ATOM 0 HZ1 LYS A 96 4.763 5.094 -7.053 1.00 2.00 H new ATOM 0 HZ2 LYS A 96 5.620 5.977 -5.883 1.00 2.00 H new ATOM 0 HZ3 LYS A 96 6.129 4.414 -6.308 1.00 2.00 H new ATOM 1588 N LYS A 97 5.667 2.562 1.617 1.00 0.33 N ATOM 1589 CA LYS A 97 6.466 1.947 2.669 1.00 0.39 C ATOM 1590 C LYS A 97 5.597 1.057 3.552 1.00 0.35 C ATOM 1591 O LYS A 97 6.080 0.097 4.149 1.00 0.45 O ATOM 1592 CB LYS A 97 7.146 3.017 3.524 1.00 0.49 C ATOM 1593 CG LYS A 97 8.343 3.693 2.863 1.00 1.09 C ATOM 1594 CD LYS A 97 9.532 2.747 2.740 1.00 1.89 C ATOM 1595 CE LYS A 97 9.495 1.946 1.447 1.00 2.76 C ATOM 1596 NZ LYS A 97 9.822 2.787 0.264 1.00 3.43 N ATOM 0 H LYS A 97 5.430 3.540 1.783 1.00 0.33 H new ATOM 0 HA LYS A 97 7.233 1.334 2.195 1.00 0.39 H new ATOM 0 HB2 LYS A 97 6.411 3.780 3.780 1.00 0.49 H new ATOM 0 HB3 LYS A 97 7.473 2.562 4.459 1.00 0.49 H new ATOM 0 HG2 LYS A 97 8.058 4.049 1.873 1.00 1.09 H new ATOM 0 HG3 LYS A 97 8.633 4.568 3.445 1.00 1.09 H new ATOM 0 HD2 LYS A 97 10.457 3.321 2.784 1.00 1.89 H new ATOM 0 HD3 LYS A 97 9.540 2.064 3.589 1.00 1.89 H new ATOM 0 HE2 LYS A 97 10.203 1.119 1.512 1.00 2.76 H new ATOM 0 HE3 LYS A 97 8.505 1.509 1.319 1.00 2.76 H new ATOM 0 HZ1 LYS A 97 10.036 2.175 -0.549 1.00 3.43 H new ATOM 0 HZ2 LYS A 97 9.010 3.395 0.035 1.00 3.43 H new ATOM 0 HZ3 LYS A 97 10.649 3.380 0.478 1.00 3.43 H new ATOM 1610 N LEU A 98 4.316 1.384 3.631 1.00 0.30 N ATOM 1611 CA LEU A 98 3.390 0.652 4.484 1.00 0.33 C ATOM 1612 C LEU A 98 2.923 -0.641 3.818 1.00 0.27 C ATOM 1613 O LEU A 98 2.828 -1.672 4.466 1.00 0.35 O ATOM 1614 CB LEU A 98 2.167 1.521 4.810 1.00 0.45 C ATOM 1615 CG LEU A 98 1.758 1.580 6.287 1.00 0.83 C ATOM 1616 CD1 LEU A 98 1.379 0.205 6.807 1.00 1.70 C ATOM 1617 CD2 LEU A 98 2.877 2.175 7.122 1.00 1.29 C ATOM 0 H LEU A 98 3.892 2.154 3.113 1.00 0.30 H new ATOM 0 HA LEU A 98 3.919 0.400 5.403 1.00 0.33 H new ATOM 0 HB2 LEU A 98 2.366 2.537 4.468 1.00 0.45 H new ATOM 0 HB3 LEU A 98 1.319 1.151 4.233 1.00 0.45 H new ATOM 0 HG LEU A 98 0.881 2.222 6.369 1.00 0.83 H new ATOM 0 HD11 LEU A 98 1.094 0.279 7.856 1.00 1.70 H new ATOM 0 HD12 LEU A 98 0.540 -0.184 6.230 1.00 1.70 H new ATOM 0 HD13 LEU A 98 2.230 -0.468 6.709 1.00 1.70 H new ATOM 0 HD21 LEU A 98 2.571 2.210 8.168 1.00 1.29 H new ATOM 0 HD22 LEU A 98 3.770 1.558 7.026 1.00 1.29 H new ATOM 0 HD23 LEU A 98 3.094 3.185 6.773 1.00 1.29 H new ATOM 1629 N LEU A 99 2.668 -0.581 2.515 1.00 0.21 N ATOM 1630 CA LEU A 99 2.107 -1.702 1.764 1.00 0.22 C ATOM 1631 C LEU A 99 3.142 -2.796 1.506 1.00 0.25 C ATOM 1632 O LEU A 99 2.974 -3.626 0.616 1.00 0.43 O ATOM 1633 CB LEU A 99 1.474 -1.219 0.443 1.00 0.36 C ATOM 1634 CG LEU A 99 2.311 -0.282 -0.437 1.00 0.38 C ATOM 1635 CD1 LEU A 99 3.487 -1.005 -1.074 1.00 1.29 C ATOM 1636 CD2 LEU A 99 1.439 0.351 -1.511 1.00 1.30 C ATOM 0 H LEU A 99 2.845 0.248 1.947 1.00 0.21 H new ATOM 0 HA LEU A 99 1.323 -2.141 2.380 1.00 0.22 H new ATOM 0 HB2 LEU A 99 1.217 -2.097 -0.149 1.00 0.36 H new ATOM 0 HB3 LEU A 99 0.540 -0.712 0.682 1.00 0.36 H new ATOM 0 HG LEU A 99 2.714 0.500 0.206 1.00 0.38 H new ATOM 0 HD11 LEU A 99 4.054 -0.306 -1.689 1.00 1.29 H new ATOM 0 HD12 LEU A 99 4.133 -1.408 -0.294 1.00 1.29 H new ATOM 0 HD13 LEU A 99 3.119 -1.820 -1.697 1.00 1.29 H new ATOM 0 HD21 LEU A 99 2.046 1.014 -2.128 1.00 1.30 H new ATOM 0 HD22 LEU A 99 1.005 -0.431 -2.135 1.00 1.30 H new ATOM 0 HD23 LEU A 99 0.640 0.924 -1.040 1.00 1.30 H new ATOM 1648 N VAL A 100 4.207 -2.796 2.293 1.00 0.32 N ATOM 1649 CA VAL A 100 5.218 -3.828 2.197 1.00 0.36 C ATOM 1650 C VAL A 100 4.664 -5.155 2.727 1.00 0.37 C ATOM 1651 O VAL A 100 4.176 -5.236 3.856 1.00 0.45 O ATOM 1652 CB VAL A 100 6.514 -3.430 2.950 1.00 0.48 C ATOM 1653 CG1 VAL A 100 6.257 -3.199 4.434 1.00 1.35 C ATOM 1654 CG2 VAL A 100 7.597 -4.478 2.749 1.00 1.29 C ATOM 0 H VAL A 100 4.390 -2.090 3.006 1.00 0.32 H new ATOM 0 HA VAL A 100 5.480 -3.949 1.146 1.00 0.36 H new ATOM 0 HB VAL A 100 6.861 -2.487 2.527 1.00 0.48 H new ATOM 0 HG11 VAL A 100 7.189 -2.922 4.926 1.00 1.35 H new ATOM 0 HG12 VAL A 100 5.530 -2.396 4.557 1.00 1.35 H new ATOM 0 HG13 VAL A 100 5.868 -4.113 4.882 1.00 1.35 H new ATOM 0 HG21 VAL A 100 8.497 -4.179 3.286 1.00 1.29 H new ATOM 0 HG22 VAL A 100 7.249 -5.438 3.130 1.00 1.29 H new ATOM 0 HG23 VAL A 100 7.822 -4.570 1.686 1.00 1.29 H new ATOM 1664 N PRO A 101 4.714 -6.206 1.895 1.00 0.39 N ATOM 1665 CA PRO A 101 4.180 -7.540 2.227 1.00 0.49 C ATOM 1666 C PRO A 101 4.968 -8.266 3.312 1.00 0.65 C ATOM 1667 O PRO A 101 4.733 -9.448 3.573 1.00 0.88 O ATOM 1668 CB PRO A 101 4.296 -8.292 0.909 1.00 0.64 C ATOM 1669 CG PRO A 101 5.413 -7.618 0.198 1.00 0.60 C ATOM 1670 CD PRO A 101 5.270 -6.170 0.533 1.00 0.45 C ATOM 0 HA PRO A 101 3.169 -7.470 2.629 1.00 0.49 H new ATOM 0 HB2 PRO A 101 4.508 -9.349 1.071 1.00 0.64 H new ATOM 0 HB3 PRO A 101 3.370 -8.237 0.337 1.00 0.64 H new ATOM 0 HG2 PRO A 101 6.378 -8.005 0.524 1.00 0.60 H new ATOM 0 HG3 PRO A 101 5.351 -7.782 -0.878 1.00 0.60 H new ATOM 0 HD2 PRO A 101 6.228 -5.650 0.500 1.00 0.45 H new ATOM 0 HD3 PRO A 101 4.605 -5.657 -0.162 1.00 0.45 H new ATOM 1678 N ALA A 102 5.911 -7.569 3.914 1.00 0.68 N ATOM 1679 CA ALA A 102 6.646 -8.097 5.049 1.00 0.92 C ATOM 1680 C ALA A 102 5.697 -8.388 6.210 1.00 1.62 C ATOM 1681 O ALA A 102 5.090 -7.475 6.776 1.00 2.54 O ATOM 1682 CB ALA A 102 7.728 -7.118 5.478 1.00 1.15 C ATOM 0 H ALA A 102 6.189 -6.628 3.634 1.00 0.68 H new ATOM 0 HA ALA A 102 7.122 -9.031 4.751 1.00 0.92 H new ATOM 0 HB1 ALA A 102 8.271 -7.527 6.330 1.00 1.15 H new ATOM 0 HB2 ALA A 102 8.419 -6.955 4.651 1.00 1.15 H new ATOM 0 HB3 ALA A 102 7.270 -6.170 5.761 1.00 1.15 H new ATOM 1688 N ALA A 103 5.573 -9.662 6.560 1.00 1.90 N ATOM 1689 CA ALA A 103 4.654 -10.091 7.606 1.00 2.74 C ATOM 1690 C ALA A 103 5.256 -9.916 8.999 1.00 3.51 C ATOM 1691 O ALA A 103 4.729 -10.428 9.986 1.00 4.17 O ATOM 1692 CB ALA A 103 4.240 -11.537 7.380 1.00 3.15 C ATOM 0 H ALA A 103 6.102 -10.421 6.131 1.00 1.90 H new ATOM 0 HA ALA A 103 3.770 -9.455 7.553 1.00 2.74 H new ATOM 0 HB1 ALA A 103 3.553 -11.846 8.168 1.00 3.15 H new ATOM 0 HB2 ALA A 103 3.746 -11.627 6.412 1.00 3.15 H new ATOM 0 HB3 ALA A 103 5.123 -12.175 7.397 1.00 3.15 H new ATOM 1698 N GLU A 104 6.359 -9.187 9.073 1.00 3.92 N ATOM 1699 CA GLU A 104 6.988 -8.881 10.347 1.00 5.00 C ATOM 1700 C GLU A 104 6.535 -7.506 10.825 1.00 5.52 C ATOM 1701 O GLU A 104 6.399 -6.579 10.026 1.00 5.64 O ATOM 1702 CB GLU A 104 8.514 -8.933 10.211 1.00 5.60 C ATOM 1703 CG GLU A 104 9.265 -8.612 11.495 1.00 6.47 C ATOM 1704 CD GLU A 104 8.895 -9.532 12.639 1.00 7.07 C ATOM 1705 OE1 GLU A 104 7.920 -9.232 13.357 1.00 7.30 O ATOM 1706 OE2 GLU A 104 9.582 -10.561 12.824 1.00 7.55 O ATOM 0 H GLU A 104 6.838 -8.795 8.262 1.00 3.92 H new ATOM 0 HA GLU A 104 6.687 -9.625 11.085 1.00 5.00 H new ATOM 0 HB2 GLU A 104 8.804 -9.928 9.873 1.00 5.60 H new ATOM 0 HB3 GLU A 104 8.823 -8.230 9.437 1.00 5.60 H new ATOM 0 HG2 GLU A 104 10.337 -8.683 11.310 1.00 6.47 H new ATOM 0 HG3 GLU A 104 9.058 -7.581 11.783 1.00 6.47 H new ATOM 1713 N GLY A 105 6.277 -7.378 12.118 1.00 6.19 N ATOM 1714 CA GLY A 105 5.812 -6.114 12.651 1.00 7.00 C ATOM 1715 C GLY A 105 5.919 -6.029 14.160 1.00 7.89 C ATOM 1716 O GLY A 105 5.224 -5.233 14.793 1.00 8.70 O ATOM 0 H GLY A 105 6.381 -8.124 12.806 1.00 6.19 H new ATOM 0 HA2 GLY A 105 6.390 -5.304 12.206 1.00 7.00 H new ATOM 0 HA3 GLY A 105 4.773 -5.963 12.357 1.00 7.00 H new ATOM 1720 N GLU A 106 6.789 -6.839 14.744 1.00 7.96 N ATOM 1721 CA GLU A 106 6.981 -6.821 16.183 1.00 8.97 C ATOM 1722 C GLU A 106 8.446 -6.578 16.519 1.00 9.33 C ATOM 1723 O GLU A 106 9.303 -7.401 16.199 1.00 9.43 O ATOM 1724 CB GLU A 106 6.496 -8.134 16.802 1.00 9.46 C ATOM 1725 CG GLU A 106 5.014 -8.392 16.582 1.00 9.55 C ATOM 1726 CD GLU A 106 4.547 -9.700 17.187 1.00 10.47 C ATOM 1727 OE1 GLU A 106 4.607 -10.738 16.495 1.00 10.82 O ATOM 1728 OE2 GLU A 106 4.107 -9.696 18.355 1.00 10.99 O ATOM 0 H GLU A 106 7.370 -7.513 14.245 1.00 7.96 H new ATOM 0 HA GLU A 106 6.392 -6.005 16.603 1.00 8.97 H new ATOM 0 HB2 GLU A 106 7.068 -8.960 16.379 1.00 9.46 H new ATOM 0 HB3 GLU A 106 6.700 -8.120 17.873 1.00 9.46 H new ATOM 0 HG2 GLU A 106 4.440 -7.572 17.014 1.00 9.55 H new ATOM 0 HG3 GLU A 106 4.806 -8.398 15.512 1.00 9.55 H new ATOM 1735 N ASP A 107 8.720 -5.422 17.128 1.00 9.76 N ATOM 1736 CA ASP A 107 10.076 -5.006 17.530 1.00 10.43 C ATOM 1737 C ASP A 107 10.929 -4.614 16.324 1.00 10.48 C ATOM 1738 O ASP A 107 11.765 -3.711 16.407 1.00 11.15 O ATOM 1739 CB ASP A 107 10.772 -6.093 18.359 1.00 10.67 C ATOM 1740 CG ASP A 107 11.908 -5.537 19.194 1.00 11.41 C ATOM 1741 OD1 ASP A 107 11.631 -4.995 20.284 1.00 11.98 O ATOM 1742 OD2 ASP A 107 13.077 -5.642 18.775 1.00 11.57 O ATOM 0 H ASP A 107 8.001 -4.737 17.361 1.00 9.76 H new ATOM 0 HA ASP A 107 9.965 -4.122 18.158 1.00 10.43 H new ATOM 0 HB2 ASP A 107 10.043 -6.571 19.013 1.00 10.67 H new ATOM 0 HB3 ASP A 107 11.157 -6.865 17.693 1.00 10.67 H new ATOM 1747 N SER A 108 10.688 -5.271 15.204 1.00 9.96 N ATOM 1748 CA SER A 108 11.379 -4.974 13.962 1.00 10.24 C ATOM 1749 C SER A 108 11.125 -3.533 13.520 1.00 10.41 C ATOM 1750 O SER A 108 11.988 -2.890 12.923 1.00 11.07 O ATOM 1751 CB SER A 108 10.917 -5.956 12.889 1.00 9.88 C ATOM 1752 OG SER A 108 11.468 -5.649 11.623 1.00 10.00 O ATOM 0 H SER A 108 10.007 -6.027 15.130 1.00 9.96 H new ATOM 0 HA SER A 108 12.452 -5.082 14.118 1.00 10.24 H new ATOM 0 HB2 SER A 108 11.204 -6.968 13.175 1.00 9.88 H new ATOM 0 HB3 SER A 108 9.829 -5.939 12.825 1.00 9.88 H new ATOM 0 HG SER A 108 12.414 -5.905 11.607 1.00 10.00 H new ATOM 1758 N LEU A 109 9.942 -3.031 13.840 1.00 10.02 N ATOM 1759 CA LEU A 109 9.572 -1.654 13.526 1.00 10.41 C ATOM 1760 C LEU A 109 10.546 -0.678 14.180 1.00 11.26 C ATOM 1761 O LEU A 109 10.839 0.390 13.648 1.00 11.94 O ATOM 1762 CB LEU A 109 8.151 -1.376 14.019 1.00 10.12 C ATOM 1763 CG LEU A 109 7.076 -2.306 13.456 1.00 9.48 C ATOM 1764 CD1 LEU A 109 5.762 -2.095 14.190 1.00 9.47 C ATOM 1765 CD2 LEU A 109 6.897 -2.079 11.961 1.00 9.65 C ATOM 0 H LEU A 109 9.214 -3.560 14.321 1.00 10.02 H new ATOM 0 HA LEU A 109 9.614 -1.518 12.445 1.00 10.41 H new ATOM 0 HB2 LEU A 109 8.139 -1.449 15.106 1.00 10.12 H new ATOM 0 HB3 LEU A 109 7.890 -0.349 13.766 1.00 10.12 H new ATOM 0 HG LEU A 109 7.397 -3.337 13.606 1.00 9.48 H new ATOM 0 HD11 LEU A 109 5.005 -2.763 13.780 1.00 9.47 H new ATOM 0 HD12 LEU A 109 5.899 -2.309 15.250 1.00 9.47 H new ATOM 0 HD13 LEU A 109 5.439 -1.061 14.067 1.00 9.47 H new ATOM 0 HD21 LEU A 109 6.128 -2.751 11.581 1.00 9.65 H new ATOM 0 HD22 LEU A 109 6.597 -1.046 11.783 1.00 9.65 H new ATOM 0 HD23 LEU A 109 7.838 -2.277 11.448 1.00 9.65 H new ATOM 1777 N LYS A 110 11.050 -1.075 15.335 1.00 11.40 N ATOM 1778 CA LYS A 110 11.971 -0.259 16.104 1.00 12.34 C ATOM 1779 C LYS A 110 13.409 -0.471 15.637 1.00 12.93 C ATOM 1780 O LYS A 110 14.106 0.478 15.285 1.00 13.70 O ATOM 1781 CB LYS A 110 11.823 -0.618 17.583 1.00 12.53 C ATOM 1782 CG LYS A 110 12.833 0.041 18.510 1.00 12.99 C ATOM 1783 CD LYS A 110 12.671 -0.485 19.925 1.00 13.18 C ATOM 1784 CE LYS A 110 12.788 -2.001 19.959 1.00 13.26 C ATOM 1785 NZ LYS A 110 12.303 -2.576 21.237 1.00 13.83 N ATOM 0 H LYS A 110 10.832 -1.973 15.766 1.00 11.40 H new ATOM 0 HA LYS A 110 11.734 0.795 15.956 1.00 12.34 H new ATOM 0 HB2 LYS A 110 10.820 -0.343 17.909 1.00 12.53 H new ATOM 0 HB3 LYS A 110 11.907 -1.700 17.689 1.00 12.53 H new ATOM 0 HG2 LYS A 110 13.845 -0.156 18.155 1.00 12.99 H new ATOM 0 HG3 LYS A 110 12.696 1.122 18.499 1.00 12.99 H new ATOM 0 HD2 LYS A 110 13.430 -0.043 20.570 1.00 13.18 H new ATOM 0 HD3 LYS A 110 11.701 -0.182 20.321 1.00 13.18 H new ATOM 0 HE2 LYS A 110 12.218 -2.426 19.133 1.00 13.26 H new ATOM 0 HE3 LYS A 110 13.829 -2.286 19.807 1.00 13.26 H new ATOM 0 HZ1 LYS A 110 12.227 -3.609 21.146 1.00 13.83 H new ATOM 0 HZ2 LYS A 110 12.972 -2.344 21.998 1.00 13.83 H new ATOM 0 HZ3 LYS A 110 11.369 -2.179 21.464 1.00 13.83 H new ATOM 1799 N LYS A 111 13.838 -1.725 15.623 1.00 12.70 N ATOM 1800 CA LYS A 111 15.223 -2.055 15.307 1.00 13.45 C ATOM 1801 C LYS A 111 15.519 -1.942 13.813 1.00 13.69 C ATOM 1802 O LYS A 111 16.448 -1.242 13.404 1.00 14.58 O ATOM 1803 CB LYS A 111 15.546 -3.472 15.790 1.00 13.35 C ATOM 1804 CG LYS A 111 15.466 -3.643 17.299 1.00 13.65 C ATOM 1805 CD LYS A 111 16.505 -2.797 18.022 1.00 14.12 C ATOM 1806 CE LYS A 111 17.926 -3.220 17.676 1.00 14.42 C ATOM 1807 NZ LYS A 111 18.202 -4.634 18.057 1.00 14.52 N ATOM 0 H LYS A 111 13.248 -2.532 15.827 1.00 12.70 H new ATOM 0 HA LYS A 111 15.854 -1.332 15.824 1.00 13.45 H new ATOM 0 HB2 LYS A 111 14.856 -4.172 15.318 1.00 13.35 H new ATOM 0 HB3 LYS A 111 16.549 -3.739 15.457 1.00 13.35 H new ATOM 0 HG2 LYS A 111 14.469 -3.367 17.643 1.00 13.65 H new ATOM 0 HG3 LYS A 111 15.612 -4.693 17.554 1.00 13.65 H new ATOM 0 HD2 LYS A 111 16.365 -1.748 17.760 1.00 14.12 H new ATOM 0 HD3 LYS A 111 16.354 -2.879 19.098 1.00 14.12 H new ATOM 0 HE2 LYS A 111 18.090 -3.096 16.606 1.00 14.42 H new ATOM 0 HE3 LYS A 111 18.632 -2.564 18.185 1.00 14.42 H new ATOM 0 HZ1 LYS A 111 19.224 -4.817 17.994 1.00 14.52 H new ATOM 0 HZ2 LYS A 111 17.880 -4.800 19.032 1.00 14.52 H new ATOM 0 HZ3 LYS A 111 17.695 -5.273 17.411 1.00 14.52 H new ATOM 1821 N MET A 112 14.719 -2.620 13.006 1.00 13.03 N ATOM 1822 CA MET A 112 15.009 -2.765 11.585 1.00 13.43 C ATOM 1823 C MET A 112 14.706 -1.507 10.786 1.00 13.93 C ATOM 1824 O MET A 112 15.452 -1.172 9.873 1.00 14.71 O ATOM 1825 CB MET A 112 14.270 -3.965 10.996 1.00 12.78 C ATOM 1826 CG MET A 112 14.931 -5.295 11.326 1.00 12.65 C ATOM 1827 SD MET A 112 14.026 -6.713 10.676 1.00 12.08 S ATOM 1828 CE MET A 112 14.060 -6.363 8.919 1.00 12.60 C ATOM 0 H MET A 112 13.861 -3.080 13.310 1.00 13.03 H new ATOM 0 HA MET A 112 16.083 -2.937 11.507 1.00 13.43 H new ATOM 0 HB2 MET A 112 13.246 -3.973 11.370 1.00 12.78 H new ATOM 0 HB3 MET A 112 14.213 -3.853 9.913 1.00 12.78 H new ATOM 0 HG2 MET A 112 15.943 -5.301 10.922 1.00 12.65 H new ATOM 0 HG3 MET A 112 15.019 -5.392 12.408 1.00 12.65 H new ATOM 0 HE1 MET A 112 13.853 -7.277 8.362 1.00 12.60 H new ATOM 0 HE2 MET A 112 13.303 -5.615 8.682 1.00 12.60 H new ATOM 0 HE3 MET A 112 15.044 -5.984 8.642 1.00 12.60 H new ATOM 1838 N LYS A 113 13.633 -0.807 11.120 1.00 13.65 N ATOM 1839 CA LYS A 113 13.286 0.396 10.376 1.00 14.28 C ATOM 1840 C LYS A 113 14.291 1.510 10.649 1.00 15.23 C ATOM 1841 O LYS A 113 14.628 2.285 9.760 1.00 16.03 O ATOM 1842 CB LYS A 113 11.867 0.869 10.719 1.00 13.94 C ATOM 1843 CG LYS A 113 11.467 2.172 10.029 1.00 14.60 C ATOM 1844 CD LYS A 113 11.577 2.065 8.515 1.00 15.23 C ATOM 1845 CE LYS A 113 12.506 3.131 7.938 1.00 16.15 C ATOM 1846 NZ LYS A 113 11.923 4.500 8.026 1.00 16.72 N ATOM 0 H LYS A 113 12.999 -1.043 11.884 1.00 13.65 H new ATOM 0 HA LYS A 113 13.318 0.149 9.315 1.00 14.28 H new ATOM 0 HB2 LYS A 113 11.157 0.089 10.442 1.00 13.94 H new ATOM 0 HB3 LYS A 113 11.789 1.002 11.798 1.00 13.94 H new ATOM 0 HG2 LYS A 113 10.443 2.429 10.302 1.00 14.60 H new ATOM 0 HG3 LYS A 113 12.104 2.982 10.384 1.00 14.60 H new ATOM 0 HD2 LYS A 113 11.948 1.076 8.246 1.00 15.23 H new ATOM 0 HD3 LYS A 113 10.587 2.166 8.070 1.00 15.23 H new ATOM 0 HE2 LYS A 113 13.456 3.109 8.472 1.00 16.15 H new ATOM 0 HE3 LYS A 113 12.720 2.897 6.895 1.00 16.15 H new ATOM 0 HZ1 LYS A 113 12.590 5.188 7.622 1.00 16.72 H new ATOM 0 HZ2 LYS A 113 11.029 4.532 7.495 1.00 16.72 H new ATOM 0 HZ3 LYS A 113 11.742 4.737 9.022 1.00 16.72 H new ATOM 1860 N LEU A 114 14.793 1.574 11.866 1.00 15.27 N ATOM 1861 CA LEU A 114 15.664 2.656 12.246 1.00 16.25 C ATOM 1862 C LEU A 114 17.135 2.324 11.989 1.00 16.89 C ATOM 1863 O LEU A 114 17.783 2.950 11.151 1.00 17.72 O ATOM 1864 CB LEU A 114 15.448 2.983 13.722 1.00 16.24 C ATOM 1865 CG LEU A 114 16.183 4.213 14.235 1.00 16.63 C ATOM 1866 CD1 LEU A 114 15.693 5.453 13.510 1.00 17.08 C ATOM 1867 CD2 LEU A 114 15.986 4.346 15.734 1.00 16.95 C ATOM 0 H LEU A 114 14.611 0.891 12.602 1.00 15.27 H new ATOM 0 HA LEU A 114 15.417 3.522 11.632 1.00 16.25 H new ATOM 0 HB2 LEU A 114 14.380 3.122 13.893 1.00 16.24 H new ATOM 0 HB3 LEU A 114 15.757 2.123 14.316 1.00 16.24 H new ATOM 0 HG LEU A 114 17.249 4.103 14.038 1.00 16.63 H new ATOM 0 HD11 LEU A 114 16.225 6.328 13.884 1.00 17.08 H new ATOM 0 HD12 LEU A 114 15.877 5.346 12.441 1.00 17.08 H new ATOM 0 HD13 LEU A 114 14.624 5.577 13.683 1.00 17.08 H new ATOM 0 HD21 LEU A 114 16.515 5.229 16.094 1.00 16.95 H new ATOM 0 HD22 LEU A 114 14.923 4.445 15.954 1.00 16.95 H new ATOM 0 HD23 LEU A 114 16.378 3.460 16.233 1.00 16.95 H new ATOM 1879 N MET A 115 17.654 1.325 12.691 1.00 16.60 N ATOM 1880 CA MET A 115 19.089 1.059 12.678 1.00 17.37 C ATOM 1881 C MET A 115 19.461 0.043 11.599 1.00 17.30 C ATOM 1882 O MET A 115 20.441 0.231 10.876 1.00 18.16 O ATOM 1883 CB MET A 115 19.544 0.580 14.063 1.00 17.40 C ATOM 1884 CG MET A 115 21.056 0.581 14.265 1.00 18.36 C ATOM 1885 SD MET A 115 21.867 -0.874 13.573 1.00 18.37 S ATOM 1886 CE MET A 115 21.115 -2.163 14.558 1.00 17.17 C ATOM 0 H MET A 115 17.109 0.689 13.273 1.00 16.60 H new ATOM 0 HA MET A 115 19.607 1.988 12.438 1.00 17.37 H new ATOM 0 HB2 MET A 115 19.088 1.216 14.822 1.00 17.40 H new ATOM 0 HB3 MET A 115 19.169 -0.430 14.226 1.00 17.40 H new ATOM 0 HG2 MET A 115 21.477 1.476 13.806 1.00 18.36 H new ATOM 0 HG3 MET A 115 21.273 0.637 15.332 1.00 18.36 H new ATOM 0 HE1 MET A 115 21.808 -2.999 14.653 1.00 17.17 H new ATOM 0 HE2 MET A 115 20.879 -1.773 15.548 1.00 17.17 H new ATOM 0 HE3 MET A 115 20.199 -2.503 14.074 1.00 17.17 H new ATOM 1896 N GLU A 116 18.663 -1.014 11.470 1.00 16.38 N ATOM 1897 CA GLU A 116 18.927 -2.063 10.484 1.00 16.41 C ATOM 1898 C GLU A 116 18.728 -1.545 9.062 1.00 16.77 C ATOM 1899 O GLU A 116 19.102 -2.201 8.088 1.00 17.19 O ATOM 1900 CB GLU A 116 18.030 -3.273 10.731 1.00 15.41 C ATOM 1901 CG GLU A 116 18.278 -3.961 12.063 1.00 15.12 C ATOM 1902 CD GLU A 116 19.556 -4.775 12.074 1.00 15.91 C ATOM 1903 OE1 GLU A 116 20.643 -4.166 12.012 1.00 16.29 O ATOM 1904 OE2 GLU A 116 19.482 -6.019 12.131 1.00 16.27 O ATOM 0 H GLU A 116 17.828 -1.168 12.035 1.00 16.38 H new ATOM 0 HA GLU A 116 19.968 -2.368 10.595 1.00 16.41 H new ATOM 0 HB2 GLU A 116 16.988 -2.956 10.685 1.00 15.41 H new ATOM 0 HB3 GLU A 116 18.179 -3.994 9.927 1.00 15.41 H new ATOM 0 HG2 GLU A 116 18.324 -3.210 12.852 1.00 15.12 H new ATOM 0 HG3 GLU A 116 17.435 -4.613 12.293 1.00 15.12 H new ATOM 1911 N LEU A 117 18.121 -0.369 8.958 1.00 16.72 N ATOM 1912 CA LEU A 117 17.916 0.295 7.675 1.00 17.21 C ATOM 1913 C LEU A 117 19.272 0.650 7.058 1.00 18.39 C ATOM 1914 O LEU A 117 19.388 0.811 5.842 1.00 18.98 O ATOM 1915 CB LEU A 117 17.055 1.554 7.889 1.00 17.03 C ATOM 1916 CG LEU A 117 16.165 1.987 6.712 1.00 17.18 C ATOM 1917 CD1 LEU A 117 16.979 2.662 5.621 1.00 18.26 C ATOM 1918 CD2 LEU A 117 15.411 0.793 6.144 1.00 16.60 C ATOM 0 H LEU A 117 17.758 0.150 9.757 1.00 16.72 H new ATOM 0 HA LEU A 117 17.394 -0.370 6.987 1.00 17.21 H new ATOM 0 HB2 LEU A 117 16.416 1.386 8.756 1.00 17.03 H new ATOM 0 HB3 LEU A 117 17.718 2.382 8.137 1.00 17.03 H new ATOM 0 HG LEU A 117 15.444 2.711 7.091 1.00 17.18 H new ATOM 0 HD11 LEU A 117 16.320 2.956 4.804 1.00 18.26 H new ATOM 0 HD12 LEU A 117 17.469 3.547 6.027 1.00 18.26 H new ATOM 0 HD13 LEU A 117 17.733 1.969 5.248 1.00 18.26 H new ATOM 0 HD21 LEU A 117 14.787 1.119 5.312 1.00 16.60 H new ATOM 0 HD22 LEU A 117 16.123 0.047 5.792 1.00 16.60 H new ATOM 0 HD23 LEU A 117 14.782 0.357 6.920 1.00 16.60 H new ATOM 1930 N ALA A 118 20.287 0.760 7.925 1.00 18.81 N ATOM 1931 CA ALA A 118 21.674 1.020 7.523 1.00 19.94 C ATOM 1932 C ALA A 118 21.870 2.477 7.126 1.00 20.25 C ATOM 1933 O ALA A 118 22.913 2.836 6.579 1.00 20.88 O ATOM 1934 CB ALA A 118 22.126 0.084 6.406 1.00 20.42 C ATOM 0 H ALA A 118 20.167 0.670 8.934 1.00 18.81 H new ATOM 0 HA ALA A 118 22.302 0.819 8.391 1.00 19.94 H new ATOM 0 HB1 ALA A 118 23.158 0.309 6.138 1.00 20.42 H new ATOM 0 HB2 ALA A 118 22.057 -0.949 6.747 1.00 20.42 H new ATOM 0 HB3 ALA A 118 21.486 0.222 5.534 1.00 20.42 H new ATOM 1940 N ILE A 119 20.864 3.300 7.449 1.00 19.90 N ATOM 1941 CA ILE A 119 20.871 4.750 7.224 1.00 20.25 C ATOM 1942 C ILE A 119 21.524 5.155 5.896 1.00 21.12 C ATOM 1943 O ILE A 119 21.443 4.430 4.901 1.00 21.13 O ATOM 1944 CB ILE A 119 21.534 5.494 8.408 1.00 20.40 C ATOM 1945 CG1 ILE A 119 23.007 5.087 8.583 1.00 20.16 C ATOM 1946 CG2 ILE A 119 20.751 5.229 9.689 1.00 20.03 C ATOM 1947 CD1 ILE A 119 23.718 5.827 9.695 1.00 20.59 C ATOM 0 H ILE A 119 20.003 2.968 7.884 1.00 19.90 H new ATOM 0 HA ILE A 119 19.825 5.050 7.159 1.00 20.25 H new ATOM 0 HB ILE A 119 21.516 6.562 8.189 1.00 20.40 H new ATOM 0 HG12 ILE A 119 23.057 4.016 8.782 1.00 20.16 H new ATOM 0 HG13 ILE A 119 23.536 5.262 7.646 1.00 20.16 H new ATOM 0 HG21 ILE A 119 21.222 5.755 10.519 1.00 20.03 H new ATOM 0 HG22 ILE A 119 19.727 5.583 9.569 1.00 20.03 H new ATOM 0 HG23 ILE A 119 20.743 4.159 9.896 1.00 20.03 H new ATOM 0 HD11 ILE A 119 24.751 5.486 9.757 1.00 20.59 H new ATOM 0 HD12 ILE A 119 23.701 6.897 9.489 1.00 20.59 H new ATOM 0 HD13 ILE A 119 23.214 5.632 10.642 1.00 20.59 H new ATOM 1959 N LEU A 120 22.133 6.336 5.876 1.00 21.92 N ATOM 1960 CA LEU A 120 22.770 6.848 4.672 1.00 22.85 C ATOM 1961 C LEU A 120 24.075 6.113 4.415 1.00 23.12 C ATOM 1962 O LEU A 120 24.741 5.658 5.347 1.00 23.32 O ATOM 1963 CB LEU A 120 23.028 8.356 4.781 1.00 23.66 C ATOM 1964 CG LEU A 120 21.775 9.238 4.870 1.00 23.95 C ATOM 1965 CD1 LEU A 120 20.768 8.850 3.806 1.00 23.98 C ATOM 1966 CD2 LEU A 120 21.152 9.146 6.249 1.00 23.52 C ATOM 0 H LEU A 120 22.198 6.956 6.683 1.00 21.92 H new ATOM 0 HA LEU A 120 22.093 6.678 3.834 1.00 22.85 H new ATOM 0 HB2 LEU A 120 23.642 8.539 5.663 1.00 23.66 H new ATOM 0 HB3 LEU A 120 23.611 8.670 3.915 1.00 23.66 H new ATOM 0 HG LEU A 120 22.075 10.271 4.697 1.00 23.95 H new ATOM 0 HD11 LEU A 120 19.888 9.488 3.888 1.00 23.98 H new ATOM 0 HD12 LEU A 120 21.215 8.973 2.820 1.00 23.98 H new ATOM 0 HD13 LEU A 120 20.475 7.809 3.944 1.00 23.98 H new ATOM 0 HD21 LEU A 120 20.265 9.779 6.291 1.00 23.52 H new ATOM 0 HD22 LEU A 120 20.871 8.113 6.453 1.00 23.52 H new ATOM 0 HD23 LEU A 120 21.872 9.480 6.996 1.00 23.52 H new ATOM 1978 N ASN A 121 24.433 6.005 3.149 1.00 23.21 N ATOM 1979 CA ASN A 121 25.580 5.206 2.736 1.00 23.56 C ATOM 1980 C ASN A 121 25.957 5.529 1.295 1.00 24.31 C ATOM 1981 O ASN A 121 25.356 6.404 0.673 1.00 24.76 O ATOM 1982 CB ASN A 121 25.256 3.715 2.876 1.00 23.18 C ATOM 1983 CG ASN A 121 24.045 3.315 2.057 1.00 23.09 C ATOM 1984 OD1 ASN A 121 24.168 2.914 0.907 1.00 23.47 O ATOM 1985 ND2 ASN A 121 22.866 3.430 2.639 1.00 22.69 N ATOM 0 H ASN A 121 23.944 6.463 2.380 1.00 23.21 H new ATOM 0 HA ASN A 121 26.427 5.446 3.379 1.00 23.56 H new ATOM 0 HB2 ASN A 121 26.117 3.126 2.560 1.00 23.18 H new ATOM 0 HB3 ASN A 121 25.077 3.480 3.925 1.00 23.18 H new ATOM 0 HD21 ASN A 121 22.019 3.181 2.129 1.00 22.69 H new ATOM 0 HD22 ASN A 121 22.802 3.768 3.599 1.00 22.69 H new ATOM 1992 N GLY A 122 26.944 4.814 0.766 1.00 24.55 N ATOM 1993 CA GLY A 122 27.411 5.077 -0.582 1.00 25.33 C ATOM 1994 C GLY A 122 26.714 4.226 -1.625 1.00 25.47 C ATOM 1995 O GLY A 122 26.919 4.405 -2.824 1.00 26.12 O ATOM 0 H GLY A 122 27.429 4.057 1.247 1.00 24.55 H new ATOM 0 HA2 GLY A 122 27.255 6.130 -0.816 1.00 25.33 H new ATOM 0 HA3 GLY A 122 28.485 4.896 -0.631 1.00 25.33 H new ATOM 1999 N THR A 123 25.900 3.291 -1.170 1.00 24.93 N ATOM 2000 CA THR A 123 25.116 2.459 -2.064 1.00 25.12 C ATOM 2001 C THR A 123 23.864 3.212 -2.500 1.00 25.36 C ATOM 2002 O THR A 123 23.454 3.158 -3.662 1.00 25.90 O ATOM 2003 CB THR A 123 24.715 1.146 -1.370 1.00 24.51 C ATOM 2004 OG1 THR A 123 25.877 0.526 -0.798 1.00 24.32 O ATOM 2005 CG2 THR A 123 24.051 0.184 -2.342 1.00 24.86 C ATOM 0 H THR A 123 25.764 3.088 -0.180 1.00 24.93 H new ATOM 0 HA THR A 123 25.722 2.220 -2.938 1.00 25.12 H new ATOM 0 HB THR A 123 23.997 1.385 -0.585 1.00 24.51 H new ATOM 0 HG1 THR A 123 25.618 -0.309 -0.355 1.00 24.32 H new ATOM 0 HG21 THR A 123 23.781 -0.733 -1.819 1.00 24.86 H new ATOM 0 HG22 THR A 123 23.153 0.645 -2.754 1.00 24.86 H new ATOM 0 HG23 THR A 123 24.742 -0.051 -3.151 1.00 24.86 H new ATOM 2013 N TYR A 124 23.271 3.925 -1.555 1.00 25.05 N ATOM 2014 CA TYR A 124 22.112 4.749 -1.832 1.00 25.37 C ATOM 2015 C TYR A 124 22.425 6.212 -1.577 1.00 25.65 C ATOM 2016 O TYR A 124 22.223 6.723 -0.479 1.00 25.59 O ATOM 2017 CB TYR A 124 20.914 4.309 -0.989 1.00 25.19 C ATOM 2018 CG TYR A 124 20.385 2.945 -1.362 1.00 25.19 C ATOM 2019 CD1 TYR A 124 19.610 2.763 -2.501 1.00 25.09 C ATOM 2020 CD2 TYR A 124 20.660 1.840 -0.570 1.00 25.38 C ATOM 2021 CE1 TYR A 124 19.123 1.515 -2.836 1.00 25.20 C ATOM 2022 CE2 TYR A 124 20.179 0.591 -0.899 1.00 25.49 C ATOM 2023 CZ TYR A 124 19.415 0.441 -2.065 1.00 25.41 C ATOM 2024 OH TYR A 124 18.927 -0.813 -2.356 1.00 25.62 O ATOM 0 H TYR A 124 23.579 3.947 -0.583 1.00 25.05 H new ATOM 0 HA TYR A 124 21.854 4.625 -2.884 1.00 25.37 H new ATOM 0 HB2 TYR A 124 21.202 4.304 0.062 1.00 25.19 H new ATOM 0 HB3 TYR A 124 20.115 5.042 -1.097 1.00 25.19 H new ATOM 0 HD1 TYR A 124 19.385 3.609 -3.133 1.00 25.09 H new ATOM 0 HD2 TYR A 124 21.261 1.960 0.319 1.00 25.38 H new ATOM 0 HE1 TYR A 124 18.508 1.395 -3.715 1.00 25.20 H new ATOM 0 HE2 TYR A 124 20.388 -0.260 -0.268 1.00 25.49 H new ATOM 0 HH TYR A 124 19.249 -1.453 -1.687 1.00 25.62 H new ATOM 2034 N ARG A 125 22.960 6.870 -2.591 1.00 26.04 N ATOM 2035 CA ARG A 125 23.211 8.296 -2.526 1.00 26.48 C ATOM 2036 C ARG A 125 21.964 9.037 -2.985 1.00 26.87 C ATOM 2037 O ARG A 125 21.828 10.249 -2.804 1.00 27.16 O ATOM 2038 CB ARG A 125 24.420 8.656 -3.391 1.00 27.04 C ATOM 2039 CG ARG A 125 25.685 7.929 -2.963 1.00 27.29 C ATOM 2040 CD ARG A 125 26.750 7.961 -4.044 1.00 27.33 C ATOM 2041 NE ARG A 125 27.339 9.285 -4.225 1.00 27.77 N ATOM 2042 CZ ARG A 125 27.705 9.771 -5.409 1.00 27.96 C ATOM 2043 NH1 ARG A 125 27.386 9.126 -6.525 1.00 27.74 N ATOM 2044 NH2 ARG A 125 28.357 10.924 -5.477 1.00 28.45 N ATOM 0 H ARG A 125 23.230 6.435 -3.473 1.00 26.04 H new ATOM 0 HA ARG A 125 23.438 8.590 -1.501 1.00 26.48 H new ATOM 0 HB2 ARG A 125 24.202 8.415 -4.431 1.00 27.04 H new ATOM 0 HB3 ARG A 125 24.590 9.732 -3.342 1.00 27.04 H new ATOM 0 HG2 ARG A 125 26.076 8.386 -2.054 1.00 27.29 H new ATOM 0 HG3 ARG A 125 25.444 6.894 -2.721 1.00 27.29 H new ATOM 0 HD2 ARG A 125 27.537 7.250 -3.792 1.00 27.33 H new ATOM 0 HD3 ARG A 125 26.313 7.632 -4.987 1.00 27.33 H new ATOM 0 HE ARG A 125 27.477 9.869 -3.400 1.00 27.77 H new ATOM 0 HH11 ARG A 125 26.858 8.254 -6.477 1.00 27.74 H new ATOM 0 HH12 ARG A 125 27.669 9.502 -7.430 1.00 27.74 H new ATOM 0 HH21 ARG A 125 28.577 11.437 -4.623 1.00 28.45 H new ATOM 0 HH22 ARG A 125 28.638 11.298 -6.383 1.00 28.45 H new ATOM 2058 N ASP A 126 21.059 8.274 -3.588 1.00 26.97 N ATOM 2059 CA ASP A 126 19.747 8.750 -3.960 1.00 27.44 C ATOM 2060 C ASP A 126 18.997 9.197 -2.716 1.00 27.02 C ATOM 2061 O ASP A 126 18.749 10.390 -2.518 1.00 27.36 O ATOM 2062 CB ASP A 126 18.988 7.618 -4.651 1.00 27.72 C ATOM 2063 CG ASP A 126 19.696 7.101 -5.888 1.00 27.85 C ATOM 2064 OD1 ASP A 126 20.752 6.448 -5.744 1.00 28.27 O ATOM 2065 OD2 ASP A 126 19.198 7.328 -7.009 1.00 27.59 O ATOM 0 H ASP A 126 21.225 7.298 -3.832 1.00 26.97 H new ATOM 0 HA ASP A 126 19.836 9.597 -4.641 1.00 27.44 H new ATOM 0 HB2 ASP A 126 18.851 6.797 -3.947 1.00 27.72 H new ATOM 0 HB3 ASP A 126 17.994 7.970 -4.928 1.00 27.72 H new ATOM 2070 N ALA A 127 18.653 8.233 -1.872 1.00 26.35 N ATOM 2071 CA ALA A 127 18.082 8.532 -0.577 1.00 25.95 C ATOM 2072 C ALA A 127 19.188 8.996 0.352 1.00 25.77 C ATOM 2073 O ALA A 127 19.832 8.199 1.023 1.00 25.47 O ATOM 2074 CB ALA A 127 17.349 7.332 -0.007 1.00 25.25 C ATOM 0 H ALA A 127 18.762 7.238 -2.067 1.00 26.35 H new ATOM 0 HA ALA A 127 17.345 9.328 -0.684 1.00 25.95 H new ATOM 0 HB1 ALA A 127 16.932 7.589 0.966 1.00 25.25 H new ATOM 0 HB2 ALA A 127 16.544 7.043 -0.682 1.00 25.25 H new ATOM 0 HB3 ALA A 127 18.045 6.500 0.105 1.00 25.25 H new ATOM 2080 N ASN A 128 19.401 10.297 0.333 1.00 26.04 N ATOM 2081 CA ASN A 128 20.520 10.956 0.995 1.00 26.08 C ATOM 2082 C ASN A 128 20.446 12.419 0.617 1.00 26.74 C ATOM 2083 O ASN A 128 20.577 13.316 1.447 1.00 26.73 O ATOM 2084 CB ASN A 128 21.863 10.353 0.541 1.00 26.34 C ATOM 2085 CG ASN A 128 23.065 11.196 0.937 1.00 26.63 C ATOM 2086 OD1 ASN A 128 23.626 11.040 2.024 1.00 26.61 O ATOM 2087 ND2 ASN A 128 23.484 12.080 0.043 1.00 27.01 N ATOM 0 H ASN A 128 18.786 10.947 -0.156 1.00 26.04 H new ATOM 0 HA ASN A 128 20.460 10.822 2.075 1.00 26.08 H new ATOM 0 HB2 ASN A 128 21.970 9.357 0.970 1.00 26.34 H new ATOM 0 HB3 ASN A 128 21.852 10.234 -0.542 1.00 26.34 H new ATOM 0 HD21 ASN A 128 24.298 12.661 0.243 1.00 27.01 H new ATOM 0 HD22 ASN A 128 22.993 12.179 -0.845 1.00 27.01 H new ATOM 2094 N LEU A 129 20.207 12.635 -0.669 1.00 27.38 N ATOM 2095 CA LEU A 129 19.911 13.954 -1.191 1.00 28.13 C ATOM 2096 C LEU A 129 18.400 14.052 -1.396 1.00 28.06 C ATOM 2097 O LEU A 129 17.777 15.065 -1.077 1.00 28.19 O ATOM 2098 CB LEU A 129 20.668 14.179 -2.511 1.00 28.95 C ATOM 2099 CG LEU A 129 20.804 15.632 -2.986 1.00 29.65 C ATOM 2100 CD1 LEU A 129 21.853 15.726 -4.084 1.00 30.01 C ATOM 2101 CD2 LEU A 129 19.475 16.180 -3.493 1.00 30.08 C ATOM 0 H LEU A 129 20.214 11.899 -1.376 1.00 27.38 H new ATOM 0 HA LEU A 129 20.234 14.727 -0.493 1.00 28.13 H new ATOM 0 HB2 LEU A 129 21.669 13.760 -2.406 1.00 28.95 H new ATOM 0 HB3 LEU A 129 20.165 13.610 -3.293 1.00 28.95 H new ATOM 0 HG LEU A 129 21.115 16.234 -2.132 1.00 29.65 H new ATOM 0 HD11 LEU A 129 21.942 16.761 -4.414 1.00 30.01 H new ATOM 0 HD12 LEU A 129 22.814 15.384 -3.700 1.00 30.01 H new ATOM 0 HD13 LEU A 129 21.556 15.101 -4.926 1.00 30.01 H new ATOM 0 HD21 LEU A 129 19.608 17.211 -3.821 1.00 30.08 H new ATOM 0 HD22 LEU A 129 19.127 15.575 -4.330 1.00 30.08 H new ATOM 0 HD23 LEU A 129 18.738 16.147 -2.691 1.00 30.08 H new ATOM 2113 N LYS A 130 17.815 12.972 -1.907 1.00 27.93 N ATOM 2114 CA LYS A 130 16.378 12.902 -2.113 1.00 27.96 C ATOM 2115 C LYS A 130 15.675 12.424 -0.849 1.00 28.18 C ATOM 2116 O LYS A 130 15.122 11.325 -0.806 1.00 28.19 O ATOM 2117 CB LYS A 130 16.045 11.970 -3.281 1.00 27.75 C ATOM 2118 CG LYS A 130 16.587 12.441 -4.617 1.00 27.52 C ATOM 2119 CD LYS A 130 16.330 11.411 -5.706 1.00 27.65 C ATOM 2120 CE LYS A 130 16.762 11.917 -7.072 1.00 28.04 C ATOM 2121 NZ LYS A 130 16.619 10.869 -8.117 1.00 28.17 N ATOM 0 H LYS A 130 18.320 12.131 -2.186 1.00 27.93 H new ATOM 0 HA LYS A 130 16.023 13.904 -2.352 1.00 27.96 H new ATOM 0 HB2 LYS A 130 16.444 10.979 -3.067 1.00 27.75 H new ATOM 0 HB3 LYS A 130 14.962 11.868 -3.355 1.00 27.75 H new ATOM 0 HG2 LYS A 130 16.119 13.387 -4.889 1.00 27.52 H new ATOM 0 HG3 LYS A 130 17.658 12.627 -4.533 1.00 27.52 H new ATOM 0 HD2 LYS A 130 16.867 10.492 -5.472 1.00 27.65 H new ATOM 0 HD3 LYS A 130 15.269 11.163 -5.729 1.00 27.65 H new ATOM 0 HE2 LYS A 130 16.163 12.786 -7.344 1.00 28.04 H new ATOM 0 HE3 LYS A 130 17.800 12.246 -7.027 1.00 28.04 H new ATOM 0 HZ1 LYS A 130 16.923 11.251 -9.035 1.00 28.17 H new ATOM 0 HZ2 LYS A 130 17.210 10.049 -7.870 1.00 28.17 H new ATOM 0 HZ3 LYS A 130 15.624 10.573 -8.178 1.00 28.17 H new ATOM 2135 N SER A 131 15.728 13.241 0.190 1.00 28.45 N ATOM 2136 CA SER A 131 15.094 12.913 1.457 1.00 28.77 C ATOM 2137 C SER A 131 14.711 14.191 2.198 1.00 28.91 C ATOM 2138 O SER A 131 15.579 14.959 2.616 1.00 29.19 O ATOM 2139 CB SER A 131 16.031 12.053 2.310 1.00 29.25 C ATOM 2140 OG SER A 131 16.398 10.866 1.625 1.00 29.23 O ATOM 0 H SER A 131 16.207 14.142 0.181 1.00 28.45 H new ATOM 0 HA SER A 131 14.186 12.342 1.262 1.00 28.77 H new ATOM 0 HB2 SER A 131 16.925 12.623 2.561 1.00 29.25 H new ATOM 0 HB3 SER A 131 15.541 11.798 3.250 1.00 29.25 H new ATOM 0 HG SER A 131 16.998 10.335 2.189 1.00 29.23 H new ATOM 2146 N PRO A 132 13.401 14.445 2.345 1.00 28.80 N ATOM 2147 CA PRO A 132 12.890 15.660 2.983 1.00 29.01 C ATOM 2148 C PRO A 132 12.865 15.571 4.509 1.00 29.52 C ATOM 2149 O PRO A 132 12.689 16.579 5.196 1.00 29.70 O ATOM 2150 CB PRO A 132 11.470 15.754 2.430 1.00 28.82 C ATOM 2151 CG PRO A 132 11.053 14.338 2.221 1.00 28.49 C ATOM 2152 CD PRO A 132 12.306 13.570 1.876 1.00 28.57 C ATOM 0 HA PRO A 132 13.517 16.527 2.773 1.00 29.01 H new ATOM 0 HB2 PRO A 132 10.806 16.264 3.128 1.00 28.82 H new ATOM 0 HB3 PRO A 132 11.444 16.317 1.497 1.00 28.82 H new ATOM 0 HG2 PRO A 132 10.585 13.935 3.119 1.00 28.49 H new ATOM 0 HG3 PRO A 132 10.319 14.264 1.419 1.00 28.49 H new ATOM 0 HD2 PRO A 132 12.329 12.600 2.373 1.00 28.57 H new ATOM 0 HD3 PRO A 132 12.377 13.381 0.805 1.00 28.57 H new ATOM 2160 N ALA A 133 13.060 14.374 5.038 1.00 29.82 N ATOM 2161 CA ALA A 133 12.987 14.163 6.471 1.00 30.39 C ATOM 2162 C ALA A 133 14.283 13.567 6.997 1.00 30.54 C ATOM 2163 O ALA A 133 14.363 12.375 7.302 1.00 30.82 O ATOM 2164 CB ALA A 133 11.803 13.280 6.825 1.00 30.73 C ATOM 0 H ALA A 133 13.270 13.536 4.496 1.00 29.82 H new ATOM 0 HA ALA A 133 12.843 15.132 6.950 1.00 30.39 H new ATOM 0 HB1 ALA A 133 11.767 13.135 7.905 1.00 30.73 H new ATOM 0 HB2 ALA A 133 10.881 13.757 6.492 1.00 30.73 H new ATOM 0 HB3 ALA A 133 11.910 12.314 6.332 1.00 30.73 H new ATOM 2170 N LEU A 134 15.307 14.398 7.048 1.00 30.43 N ATOM 2171 CA LEU A 134 16.590 14.018 7.616 1.00 30.66 C ATOM 2172 C LEU A 134 16.934 14.947 8.770 1.00 30.82 C ATOM 2173 O LEU A 134 17.447 16.056 8.507 1.00 31.05 O ATOM 2174 CB LEU A 134 17.694 14.069 6.554 1.00 30.92 C ATOM 2175 CG LEU A 134 17.570 13.042 5.428 1.00 30.78 C ATOM 2176 CD1 LEU A 134 18.692 13.227 4.419 1.00 31.20 C ATOM 2177 CD2 LEU A 134 17.587 11.627 5.989 1.00 30.60 C ATOM 0 H LEU A 134 15.275 15.355 6.697 1.00 30.43 H new ATOM 0 HA LEU A 134 16.518 12.994 7.983 1.00 30.66 H new ATOM 0 HB2 LEU A 134 17.705 15.066 6.114 1.00 30.92 H new ATOM 0 HB3 LEU A 134 18.656 13.928 7.047 1.00 30.92 H new ATOM 0 HG LEU A 134 16.617 13.198 4.922 1.00 30.78 H new ATOM 0 HD11 LEU A 134 18.591 12.489 3.623 1.00 31.20 H new ATOM 0 HD12 LEU A 134 18.637 14.229 3.994 1.00 31.20 H new ATOM 0 HD13 LEU A 134 19.653 13.096 4.916 1.00 31.20 H new ATOM 0 HD21 LEU A 134 17.498 10.911 5.172 1.00 30.60 H new ATOM 0 HD22 LEU A 134 18.524 11.457 6.520 1.00 30.60 H new ATOM 0 HD23 LEU A 134 16.752 11.498 6.677 1.00 30.60 H new ATOM 2189 N HIS A 135 16.669 14.577 9.932 1.00 30.79 N TER 2190 HIS A 135