USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 840 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 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 27 GLN :FLIP amide:sc= -0.0176 F(o=-1,f=-0.018) USER MOD Single : A 22 GLN : amide:sc= -0.0256 X(o=-0.026,f=-0.026) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 32 THR OG1 : rot -72:sc= 1.26 USER MOD Single : A 35 GLN :FLIP amide:sc= -0.419 F(o=-1.3,f=-0.42) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= -0.776 X(o=-0.78,f=-0.41) USER MOD Single : A 45 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0618) USER MOD Single : A 47 SER OG : rot -82:sc= 0.336 USER MOD Single : A 48 ASN :FLIP amide:sc= 0 F(o=-0.56,f=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.086 X(o=-0.086,f=-0.096) USER MOD Single : A 56 SER OG : rot -55:sc= 0.3 USER MOD Single : A 59 THR OG1 : rot -66:sc= 0.967 USER MOD Single : A 64 LYS NZ :NH3+ -164:sc= 1.06 (180deg=0.718) USER MOD Single : A 67 SER OG : rot -8:sc= 0.158 USER MOD Single : A 68 GLN : amide:sc= -0.0631 X(o=-0.063,f=-0.13) USER MOD Single : A 70 THR OG1 : rot 180:sc=-0.00951 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 50:sc= 0.168 USER MOD Single : A 81 SER OG : rot 45:sc= 0.13 USER MOD Single : A 84 ASN : amide:sc= -0.027 K(o=-0.027,f=-3.8!) USER MOD Single : A 85 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.101) USER MOD Single : A 90 LYS NZ :NH3+ 175:sc= 0.873 (180deg=0.853) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 HIS : no HD1:sc=-0.00655 X(o=-0.0066,f=-0.28) USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 99 LYS NZ :NH3+ -165:sc= 0.678 (180deg=0.49) USER MOD Single : A 103 GLN : amide:sc= 0.187 K(o=0.19,f=-0.72) USER MOD Single : A 109 SER OG : rot 81:sc= 0.88 USER MOD Single : A 113 SER OG : rot 36:sc= 0.0701 USER MOD Single : A 115 LYS NZ :NH3+ 157:sc= 0.39 (180deg=0.151) USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 124 ASN : amide:sc= 0.233 K(o=0.23,f=-0.92!) USER MOD Single : A 126 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 130 THR OG1 : rot 180:sc= 0 USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 22 2.698 -0.983 -0.358 1.00 0.00 N ATOM 2 CA GLN A 22 2.175 -0.324 -1.572 1.00 0.00 C ATOM 3 C GLN A 22 1.483 -1.340 -2.478 1.00 0.00 C ATOM 4 O GLN A 22 1.526 -1.188 -3.692 1.00 0.00 O ATOM 5 CB GLN A 22 3.327 0.379 -2.346 1.00 0.00 C ATOM 6 CG GLN A 22 4.100 1.427 -1.545 1.00 0.00 C ATOM 7 CD GLN A 22 3.213 2.555 -1.009 1.00 0.00 C ATOM 8 OE1 GLN A 22 2.693 2.481 0.106 1.00 0.00 O ATOM 9 NE2 GLN A 22 3.002 3.590 -1.813 1.00 0.00 N ATOM 0 HA GLN A 22 1.446 0.426 -1.266 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.028 -0.381 -2.693 1.00 0.00 H new ATOM 0 HB3 GLN A 22 2.910 0.856 -3.233 1.00 0.00 H new ATOM 0 HG2 GLN A 22 4.600 0.939 -0.709 1.00 0.00 H new ATOM 0 HG3 GLN A 22 4.879 1.855 -2.176 1.00 0.00 H new ATOM 0 HE21 GLN A 22 3.447 3.622 -2.730 1.00 0.00 H new ATOM 0 HE22 GLN A 22 2.395 4.353 -1.513 1.00 0.00 H new ATOM 18 N MET A 23 0.814 -2.347 -1.873 1.00 0.00 N ATOM 19 CA MET A 23 0.144 -3.443 -2.606 1.00 0.00 C ATOM 20 C MET A 23 -0.769 -2.904 -3.726 1.00 0.00 C ATOM 21 O MET A 23 -0.712 -3.384 -4.850 1.00 0.00 O ATOM 22 CB MET A 23 -0.668 -4.333 -1.626 1.00 0.00 C ATOM 23 CG MET A 23 -1.346 -5.559 -2.270 1.00 0.00 C ATOM 24 SD MET A 23 -0.158 -6.647 -3.089 1.00 0.00 S ATOM 25 CE MET A 23 -1.185 -7.992 -3.676 1.00 0.00 C ATOM 0 H MET A 23 0.724 -2.422 -0.860 1.00 0.00 H new ATOM 0 HA MET A 23 0.919 -4.049 -3.075 1.00 0.00 H new ATOM 0 HB2 MET A 23 -0.002 -4.678 -0.835 1.00 0.00 H new ATOM 0 HB3 MET A 23 -1.434 -3.720 -1.152 1.00 0.00 H new ATOM 0 HG2 MET A 23 -1.881 -6.120 -1.504 1.00 0.00 H new ATOM 0 HG3 MET A 23 -2.087 -5.223 -2.995 1.00 0.00 H new ATOM 0 HE1 MET A 23 -0.565 -8.723 -4.196 1.00 0.00 H new ATOM 0 HE2 MET A 23 -1.677 -8.470 -2.829 1.00 0.00 H new ATOM 0 HE3 MET A 23 -1.938 -7.602 -4.361 1.00 0.00 H new ATOM 35 N LEU A 24 -1.540 -1.849 -3.406 1.00 0.00 N ATOM 36 CA LEU A 24 -2.496 -1.213 -4.347 1.00 0.00 C ATOM 37 C LEU A 24 -1.767 -0.438 -5.479 1.00 0.00 C ATOM 38 O LEU A 24 -2.216 -0.466 -6.635 1.00 0.00 O ATOM 39 CB LEU A 24 -3.505 -0.277 -3.603 1.00 0.00 C ATOM 40 CG LEU A 24 -2.940 1.030 -2.936 1.00 0.00 C ATOM 41 CD1 LEU A 24 -4.065 2.025 -2.599 1.00 0.00 C ATOM 42 CD2 LEU A 24 -2.081 0.743 -1.674 1.00 0.00 C ATOM 0 H LEU A 24 -1.522 -1.408 -2.486 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.063 -2.022 -4.808 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.276 0.017 -4.315 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.996 -0.864 -2.826 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.283 1.482 -3.679 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.637 2.916 -2.140 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.590 2.304 -3.513 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.766 1.560 -1.906 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.719 1.684 -1.258 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.688 0.227 -0.930 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.232 0.116 -1.947 1.00 0.00 H new ATOM 54 N LEU A 25 -0.638 0.241 -5.136 1.00 0.00 N ATOM 55 CA LEU A 25 0.180 0.994 -6.122 1.00 0.00 C ATOM 56 C LEU A 25 0.810 0.028 -7.129 1.00 0.00 C ATOM 57 O LEU A 25 0.652 0.200 -8.331 1.00 0.00 O ATOM 58 CB LEU A 25 1.307 1.853 -5.449 1.00 0.00 C ATOM 59 CG LEU A 25 0.879 3.213 -4.795 1.00 0.00 C ATOM 60 CD1 LEU A 25 0.129 4.121 -5.795 1.00 0.00 C ATOM 61 CD2 LEU A 25 0.068 3.016 -3.504 1.00 0.00 C ATOM 0 H LEU A 25 -0.276 0.281 -4.183 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.496 1.682 -6.629 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.782 1.244 -4.680 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.066 2.065 -6.203 1.00 0.00 H new ATOM 0 HG LEU A 25 1.802 3.721 -4.515 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.150 5.052 -5.302 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.776 4.339 -6.644 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.770 3.613 -6.145 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.203 3.988 -3.092 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.837 2.451 -3.726 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.668 2.469 -2.777 1.00 0.00 H new ATOM 73 N ASN A 26 1.502 -0.978 -6.583 1.00 0.00 N ATOM 74 CA ASN A 26 2.263 -1.987 -7.352 1.00 0.00 C ATOM 75 C ASN A 26 1.340 -2.857 -8.212 1.00 0.00 C ATOM 76 O ASN A 26 1.661 -3.148 -9.367 1.00 0.00 O ATOM 77 CB ASN A 26 3.109 -2.869 -6.398 1.00 0.00 C ATOM 78 CG ASN A 26 4.109 -2.064 -5.554 1.00 0.00 C ATOM 79 OD1 ASN A 26 4.557 -0.986 -5.949 1.00 0.00 O ATOM 80 ND2 ASN A 26 4.477 -2.584 -4.391 1.00 0.00 N ATOM 0 H ASN A 26 1.554 -1.122 -5.575 1.00 0.00 H new ATOM 0 HA ASN A 26 2.933 -1.453 -8.026 1.00 0.00 H new ATOM 0 HB2 ASN A 26 2.441 -3.417 -5.733 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.653 -3.609 -6.985 1.00 0.00 H new ATOM 0 HD21 ASN A 26 5.146 -2.090 -3.800 1.00 0.00 H new ATOM 0 HD22 ASN A 26 4.091 -3.478 -4.087 1.00 0.00 H new ATOM 87 N GLN A 27 0.190 -3.253 -7.643 1.00 0.00 N ATOM 88 CA GLN A 27 -0.856 -3.981 -8.381 1.00 0.00 C ATOM 89 C GLN A 27 -1.320 -3.156 -9.593 1.00 0.00 C ATOM 90 O GLN A 27 -1.313 -3.661 -10.725 1.00 0.00 O ATOM 91 CB GLN A 27 -2.058 -4.311 -7.452 1.00 0.00 C ATOM 92 CG GLN A 27 -1.978 -5.651 -6.692 1.00 0.00 C ATOM 93 CD GLN A 27 -2.147 -6.883 -7.591 1.00 0.00 C ATOM 94 OE1 GLN A 27 -2.943 -6.760 -8.655 1.00 0.00 O flip ATOM 95 NE2 GLN A 27 -1.591 -7.946 -7.317 1.00 0.00 N flip ATOM 0 H GLN A 27 -0.040 -3.079 -6.665 1.00 0.00 H new ATOM 0 HA GLN A 27 -0.437 -4.922 -8.738 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -2.159 -3.508 -6.722 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -2.967 -4.311 -8.053 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -1.016 -5.713 -6.184 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -2.748 -5.667 -5.921 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -0.988 -8.010 -6.497 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -1.733 -8.764 -7.910 1.00 0.00 H new ATOM 104 N LEU A 28 -1.681 -1.867 -9.343 1.00 0.00 N ATOM 105 CA LEU A 28 -2.141 -0.972 -10.415 1.00 0.00 C ATOM 106 C LEU A 28 -1.027 -0.741 -11.450 1.00 0.00 C ATOM 107 O LEU A 28 -1.290 -0.712 -12.646 1.00 0.00 O ATOM 108 CB LEU A 28 -2.655 0.392 -9.884 1.00 0.00 C ATOM 109 CG LEU A 28 -3.535 1.173 -10.918 1.00 0.00 C ATOM 110 CD1 LEU A 28 -4.898 0.489 -11.116 1.00 0.00 C ATOM 111 CD2 LEU A 28 -3.709 2.649 -10.556 1.00 0.00 C ATOM 0 H LEU A 28 -1.659 -1.439 -8.417 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.983 -1.474 -10.891 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.236 0.224 -8.977 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.801 1.010 -9.606 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.995 1.146 -11.864 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.487 1.054 -11.839 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.746 -0.525 -11.485 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.429 0.453 -10.165 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.328 3.138 -11.309 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.191 2.730 -9.582 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.733 3.132 -10.519 1.00 0.00 H new ATOM 123 N ARG A 29 0.215 -0.646 -10.954 1.00 0.00 N ATOM 124 CA ARG A 29 1.412 -0.350 -11.767 1.00 0.00 C ATOM 125 C ARG A 29 1.654 -1.462 -12.798 1.00 0.00 C ATOM 126 O ARG A 29 2.037 -1.203 -13.942 1.00 0.00 O ATOM 127 CB ARG A 29 2.649 -0.233 -10.827 1.00 0.00 C ATOM 128 CG ARG A 29 3.899 0.367 -11.487 1.00 0.00 C ATOM 129 CD ARG A 29 5.134 0.357 -10.577 1.00 0.00 C ATOM 130 NE ARG A 29 5.679 -1.000 -10.422 1.00 0.00 N ATOM 131 CZ ARG A 29 6.968 -1.296 -10.253 1.00 0.00 C ATOM 132 NH1 ARG A 29 7.874 -0.341 -10.074 1.00 0.00 N ATOM 133 NH2 ARG A 29 7.343 -2.566 -10.254 1.00 0.00 N ATOM 0 H ARG A 29 0.423 -0.774 -9.964 1.00 0.00 H new ATOM 0 HA ARG A 29 1.256 0.588 -12.300 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.379 0.380 -9.967 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.895 -1.225 -10.447 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.123 -0.190 -12.397 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.686 1.393 -11.786 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.899 1.012 -10.993 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.869 0.758 -9.599 1.00 0.00 H new ATOM 0 HE ARG A 29 5.018 -1.777 -10.446 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.588 0.638 -10.064 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.856 -0.587 -9.946 1.00 0.00 H new ATOM 0 HH21 ARG A 29 6.649 -3.303 -10.383 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.326 -2.808 -10.126 1.00 0.00 H new ATOM 147 N GLU A 30 1.421 -2.705 -12.344 1.00 0.00 N ATOM 148 CA GLU A 30 1.628 -3.921 -13.139 1.00 0.00 C ATOM 149 C GLU A 30 0.426 -4.240 -14.049 1.00 0.00 C ATOM 150 O GLU A 30 0.587 -4.982 -15.022 1.00 0.00 O ATOM 151 CB GLU A 30 2.010 -5.114 -12.192 1.00 0.00 C ATOM 152 CG GLU A 30 3.539 -5.267 -11.921 1.00 0.00 C ATOM 153 CD GLU A 30 4.239 -3.991 -11.397 1.00 0.00 C ATOM 154 OE1 GLU A 30 4.662 -3.146 -12.219 1.00 0.00 O ATOM 155 OE2 GLU A 30 4.396 -3.829 -10.166 1.00 0.00 O ATOM 0 H GLU A 30 1.079 -2.893 -11.402 1.00 0.00 H new ATOM 0 HA GLU A 30 2.461 -3.751 -13.821 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.497 -4.982 -11.239 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.638 -6.041 -12.629 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.686 -6.068 -11.197 1.00 0.00 H new ATOM 0 HG3 GLU A 30 4.027 -5.578 -12.844 1.00 0.00 H new ATOM 162 N ILE A 31 -0.777 -3.690 -13.745 1.00 0.00 N ATOM 163 CA ILE A 31 -1.979 -3.873 -14.618 1.00 0.00 C ATOM 164 C ILE A 31 -2.238 -2.651 -15.545 1.00 0.00 C ATOM 165 O ILE A 31 -3.102 -2.724 -16.427 1.00 0.00 O ATOM 166 CB ILE A 31 -3.275 -4.229 -13.782 1.00 0.00 C ATOM 167 CG1 ILE A 31 -3.735 -3.032 -12.894 1.00 0.00 C ATOM 168 CG2 ILE A 31 -3.041 -5.502 -12.924 1.00 0.00 C ATOM 169 CD1 ILE A 31 -4.929 -3.315 -11.990 1.00 0.00 C ATOM 0 H ILE A 31 -0.946 -3.122 -12.915 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.752 -4.724 -15.260 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.079 -4.435 -14.489 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.896 -2.718 -12.273 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.983 -2.193 -13.544 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.944 -5.730 -12.357 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.801 -6.341 -13.576 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.214 -5.330 -12.235 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.170 -2.421 -11.415 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -5.788 -3.597 -12.599 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.684 -4.130 -11.309 1.00 0.00 H new ATOM 181 N THR A 32 -1.493 -1.530 -15.348 1.00 0.00 N ATOM 182 CA THR A 32 -1.565 -0.337 -16.242 1.00 0.00 C ATOM 183 C THR A 32 -0.289 -0.214 -17.085 1.00 0.00 C ATOM 184 O THR A 32 -0.343 -0.004 -18.307 1.00 0.00 O ATOM 185 CB THR A 32 -1.769 1.005 -15.447 1.00 0.00 C ATOM 186 OG1 THR A 32 -0.684 1.213 -14.518 1.00 0.00 O ATOM 187 CG2 THR A 32 -3.111 1.041 -14.700 1.00 0.00 C ATOM 0 H THR A 32 -0.834 -1.426 -14.577 1.00 0.00 H new ATOM 0 HA THR A 32 -2.432 -0.492 -16.884 1.00 0.00 H new ATOM 0 HB THR A 32 -1.778 1.811 -16.181 1.00 0.00 H new ATOM 0 HG1 THR A 32 -0.766 0.582 -13.772 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.205 1.987 -14.167 1.00 0.00 H new ATOM 0 HG22 THR A 32 -3.928 0.945 -15.415 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.153 0.217 -13.988 1.00 0.00 H new ATOM 195 N GLY A 33 0.857 -0.329 -16.403 1.00 0.00 N ATOM 196 CA GLY A 33 2.180 -0.136 -17.007 1.00 0.00 C ATOM 197 C GLY A 33 2.858 1.131 -16.494 1.00 0.00 C ATOM 198 O GLY A 33 4.078 1.282 -16.639 1.00 0.00 O ATOM 0 H GLY A 33 0.892 -0.560 -15.410 1.00 0.00 H new ATOM 0 HA2 GLY A 33 2.809 -0.999 -16.788 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.080 -0.081 -18.091 1.00 0.00 H new ATOM 202 N ILE A 34 2.059 2.035 -15.873 1.00 0.00 N ATOM 203 CA ILE A 34 2.515 3.358 -15.409 1.00 0.00 C ATOM 204 C ILE A 34 3.409 3.207 -14.166 1.00 0.00 C ATOM 205 O ILE A 34 2.913 2.912 -13.074 1.00 0.00 O ATOM 206 CB ILE A 34 1.292 4.290 -15.075 1.00 0.00 C ATOM 207 CG1 ILE A 34 0.310 4.372 -16.287 1.00 0.00 C ATOM 208 CG2 ILE A 34 1.752 5.709 -14.625 1.00 0.00 C ATOM 209 CD1 ILE A 34 -1.008 5.052 -15.979 1.00 0.00 C ATOM 0 H ILE A 34 1.073 1.859 -15.681 1.00 0.00 H new ATOM 0 HA ILE A 34 3.091 3.817 -16.213 1.00 0.00 H new ATOM 0 HB ILE A 34 0.759 3.845 -14.235 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.800 4.907 -17.100 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.109 3.362 -16.645 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.878 6.322 -14.404 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.371 5.625 -13.732 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.329 6.175 -15.424 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.629 5.066 -16.875 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.523 4.506 -15.189 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.822 6.075 -15.651 1.00 0.00 H new ATOM 221 N GLN A 35 4.725 3.421 -14.349 1.00 0.00 N ATOM 222 CA GLN A 35 5.742 3.285 -13.283 1.00 0.00 C ATOM 223 C GLN A 35 5.763 4.516 -12.350 1.00 0.00 C ATOM 224 O GLN A 35 6.543 4.557 -11.395 1.00 0.00 O ATOM 225 CB GLN A 35 7.144 3.049 -13.914 1.00 0.00 C ATOM 226 CG GLN A 35 7.258 1.784 -14.800 1.00 0.00 C ATOM 227 CD GLN A 35 6.965 0.471 -14.054 1.00 0.00 C ATOM 228 OE1 GLN A 35 5.730 0.004 -14.109 1.00 0.00 O flip ATOM 229 NE2 GLN A 35 7.856 -0.124 -13.440 1.00 0.00 N flip ATOM 0 H GLN A 35 5.119 3.696 -15.249 1.00 0.00 H new ATOM 0 HA GLN A 35 5.476 2.423 -12.672 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.407 3.920 -14.515 1.00 0.00 H new ATOM 0 HB3 GLN A 35 7.880 2.981 -13.113 1.00 0.00 H new ATOM 0 HG2 GLN A 35 6.567 1.876 -15.638 1.00 0.00 H new ATOM 0 HG3 GLN A 35 8.263 1.736 -15.219 1.00 0.00 H new ATOM 0 HE21 GLN A 35 8.801 0.259 -13.414 1.00 0.00 H new ATOM 0 HE22 GLN A 35 7.647 -0.999 -12.959 1.00 0.00 H new ATOM 238 N ASP A 36 4.909 5.518 -12.650 1.00 0.00 N ATOM 239 CA ASP A 36 4.739 6.729 -11.827 1.00 0.00 C ATOM 240 C ASP A 36 3.666 6.477 -10.749 1.00 0.00 C ATOM 241 O ASP A 36 2.471 6.467 -11.076 1.00 0.00 O ATOM 242 CB ASP A 36 4.326 7.929 -12.721 1.00 0.00 C ATOM 243 CG ASP A 36 5.361 8.221 -13.810 1.00 0.00 C ATOM 244 OD1 ASP A 36 5.272 7.619 -14.902 1.00 0.00 O ATOM 245 OD2 ASP A 36 6.288 9.022 -13.569 1.00 0.00 O ATOM 0 H ASP A 36 4.314 5.506 -13.478 1.00 0.00 H new ATOM 0 HA ASP A 36 5.685 6.966 -11.341 1.00 0.00 H new ATOM 0 HB2 ASP A 36 3.362 7.720 -13.185 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.195 8.815 -12.100 1.00 0.00 H new ATOM 250 N PRO A 37 4.066 6.266 -9.441 1.00 0.00 N ATOM 251 CA PRO A 37 3.116 5.950 -8.344 1.00 0.00 C ATOM 252 C PRO A 37 2.110 7.084 -8.073 1.00 0.00 C ATOM 253 O PRO A 37 1.005 6.816 -7.593 1.00 0.00 O ATOM 254 CB PRO A 37 4.031 5.665 -7.120 1.00 0.00 C ATOM 255 CG PRO A 37 5.312 6.376 -7.433 1.00 0.00 C ATOM 256 CD PRO A 37 5.465 6.308 -8.941 1.00 0.00 C ATOM 0 HA PRO A 37 2.479 5.101 -8.593 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.586 6.037 -6.197 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.193 4.595 -6.987 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.279 7.410 -7.090 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.156 5.900 -6.933 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.002 7.175 -9.328 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.025 5.424 -9.246 1.00 0.00 H new ATOM 264 N SER A 38 2.490 8.335 -8.414 1.00 0.00 N ATOM 265 CA SER A 38 1.625 9.525 -8.256 1.00 0.00 C ATOM 266 C SER A 38 0.327 9.398 -9.080 1.00 0.00 C ATOM 267 O SER A 38 -0.764 9.688 -8.573 1.00 0.00 O ATOM 268 CB SER A 38 2.389 10.801 -8.675 1.00 0.00 C ATOM 269 OG SER A 38 3.567 10.976 -7.904 1.00 0.00 O ATOM 0 H SER A 38 3.407 8.548 -8.807 1.00 0.00 H new ATOM 0 HA SER A 38 1.351 9.595 -7.203 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.650 10.740 -9.732 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.742 11.670 -8.556 1.00 0.00 H new ATOM 0 HG SER A 38 4.029 11.790 -8.193 1.00 0.00 H new ATOM 275 N PHE A 39 0.463 8.924 -10.339 1.00 0.00 N ATOM 276 CA PHE A 39 -0.668 8.772 -11.274 1.00 0.00 C ATOM 277 C PHE A 39 -1.580 7.616 -10.830 1.00 0.00 C ATOM 278 O PHE A 39 -2.807 7.640 -11.050 1.00 0.00 O ATOM 279 CB PHE A 39 -0.152 8.566 -12.730 1.00 0.00 C ATOM 280 CG PHE A 39 -1.140 9.002 -13.826 1.00 0.00 C ATOM 281 CD1 PHE A 39 -2.157 9.927 -13.560 1.00 0.00 C ATOM 282 CD2 PHE A 39 -1.039 8.499 -15.117 1.00 0.00 C ATOM 283 CE1 PHE A 39 -3.038 10.317 -14.546 1.00 0.00 C ATOM 284 CE2 PHE A 39 -1.919 8.894 -16.103 1.00 0.00 C ATOM 285 CZ PHE A 39 -2.918 9.802 -15.816 1.00 0.00 C ATOM 0 H PHE A 39 1.359 8.637 -10.732 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.260 9.687 -11.260 1.00 0.00 H new ATOM 0 HB2 PHE A 39 0.777 9.122 -12.854 1.00 0.00 H new ATOM 0 HB3 PHE A 39 0.086 7.512 -12.872 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -2.253 10.341 -12.567 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -0.260 7.789 -15.352 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -3.821 11.026 -14.322 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -1.826 8.492 -17.101 1.00 0.00 H new ATOM 0 HZ PHE A 39 -3.606 10.109 -16.590 1.00 0.00 H new ATOM 295 N LEU A 40 -0.961 6.637 -10.170 1.00 0.00 N ATOM 296 CA LEU A 40 -1.654 5.483 -9.609 1.00 0.00 C ATOM 297 C LEU A 40 -2.468 5.896 -8.363 1.00 0.00 C ATOM 298 O LEU A 40 -3.566 5.384 -8.149 1.00 0.00 O ATOM 299 CB LEU A 40 -0.625 4.376 -9.275 1.00 0.00 C ATOM 300 CG LEU A 40 0.398 4.021 -10.403 1.00 0.00 C ATOM 301 CD1 LEU A 40 1.434 2.995 -9.905 1.00 0.00 C ATOM 302 CD2 LEU A 40 -0.298 3.540 -11.701 1.00 0.00 C ATOM 0 H LEU A 40 0.046 6.625 -10.010 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.358 5.088 -10.342 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.067 4.683 -8.390 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.170 3.470 -9.010 1.00 0.00 H new ATOM 0 HG LEU A 40 0.927 4.940 -10.657 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.134 2.765 -10.709 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.979 3.410 -9.057 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.923 2.083 -9.597 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.456 3.306 -12.453 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.888 2.648 -11.489 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.953 4.327 -12.076 1.00 0.00 H new ATOM 314 N HIS A 41 -1.909 6.831 -7.557 1.00 0.00 N ATOM 315 CA HIS A 41 -2.622 7.449 -6.417 1.00 0.00 C ATOM 316 C HIS A 41 -3.853 8.226 -6.902 1.00 0.00 C ATOM 317 O HIS A 41 -4.910 8.128 -6.289 1.00 0.00 O ATOM 318 CB HIS A 41 -1.711 8.417 -5.601 1.00 0.00 C ATOM 319 CG HIS A 41 -0.643 7.775 -4.743 1.00 0.00 C ATOM 320 ND1 HIS A 41 -0.929 7.000 -3.645 1.00 0.00 N ATOM 321 CD2 HIS A 41 0.707 7.842 -4.794 1.00 0.00 C ATOM 322 CE1 HIS A 41 0.191 6.625 -3.066 1.00 0.00 C ATOM 323 NE2 HIS A 41 1.201 7.124 -3.743 1.00 0.00 N ATOM 0 H HIS A 41 -0.957 7.175 -7.679 1.00 0.00 H new ATOM 0 HA HIS A 41 -2.927 6.629 -5.766 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -1.224 9.098 -6.299 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -2.348 9.023 -4.957 1.00 0.00 H new ATOM 0 HD2 HIS A 41 1.290 8.369 -5.534 1.00 0.00 H new ATOM 0 HE1 HIS A 41 0.268 6.010 -2.182 1.00 0.00 H new ATOM 0 HE2 HIS A 41 2.188 6.996 -3.521 1.00 0.00 H new ATOM 332 N GLU A 42 -3.692 9.008 -7.989 1.00 0.00 N ATOM 333 CA GLU A 42 -4.780 9.804 -8.590 1.00 0.00 C ATOM 334 C GLU A 42 -5.933 8.914 -9.072 1.00 0.00 C ATOM 335 O GLU A 42 -7.108 9.278 -8.922 1.00 0.00 O ATOM 336 CB GLU A 42 -4.237 10.661 -9.764 1.00 0.00 C ATOM 337 CG GLU A 42 -3.209 11.725 -9.337 1.00 0.00 C ATOM 338 CD GLU A 42 -2.634 12.553 -10.499 1.00 0.00 C ATOM 339 OE1 GLU A 42 -1.618 12.134 -11.095 1.00 0.00 O ATOM 340 OE2 GLU A 42 -3.167 13.641 -10.797 1.00 0.00 O ATOM 0 H GLU A 42 -2.801 9.105 -8.476 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.171 10.465 -7.817 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.778 10.001 -10.500 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.074 11.156 -10.257 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.679 12.401 -8.622 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.388 11.232 -8.817 1.00 0.00 H new ATOM 347 N ALA A 43 -5.581 7.758 -9.659 1.00 0.00 N ATOM 348 CA ALA A 43 -6.561 6.760 -10.110 1.00 0.00 C ATOM 349 C ALA A 43 -7.289 6.112 -8.915 1.00 0.00 C ATOM 350 O ALA A 43 -8.514 5.973 -8.941 1.00 0.00 O ATOM 351 CB ALA A 43 -5.866 5.702 -10.961 1.00 0.00 C ATOM 0 H ALA A 43 -4.612 7.491 -9.833 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.314 7.263 -10.717 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.597 4.964 -11.293 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.409 6.176 -11.829 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.095 5.208 -10.370 1.00 0.00 H new ATOM 357 N LEU A 44 -6.506 5.747 -7.869 1.00 0.00 N ATOM 358 CA LEU A 44 -7.018 5.111 -6.624 1.00 0.00 C ATOM 359 C LEU A 44 -7.860 6.111 -5.790 1.00 0.00 C ATOM 360 O LEU A 44 -8.735 5.707 -5.023 1.00 0.00 O ATOM 361 CB LEU A 44 -5.834 4.519 -5.771 1.00 0.00 C ATOM 362 CG LEU A 44 -5.545 2.983 -5.935 1.00 0.00 C ATOM 363 CD1 LEU A 44 -6.745 2.132 -5.476 1.00 0.00 C ATOM 364 CD2 LEU A 44 -5.134 2.625 -7.364 1.00 0.00 C ATOM 0 H LEU A 44 -5.495 5.886 -7.863 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.672 4.288 -6.912 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.925 5.065 -6.025 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.041 4.716 -4.719 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.700 2.750 -5.287 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.511 1.075 -5.603 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.954 2.334 -4.425 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.620 2.384 -6.075 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.944 1.554 -7.430 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.936 2.895 -8.052 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.229 3.171 -7.630 1.00 0.00 H new ATOM 376 N LYS A 45 -7.571 7.410 -5.963 1.00 0.00 N ATOM 377 CA LYS A 45 -8.302 8.508 -5.303 1.00 0.00 C ATOM 378 C LYS A 45 -9.650 8.734 -6.013 1.00 0.00 C ATOM 379 O LYS A 45 -10.685 8.906 -5.359 1.00 0.00 O ATOM 380 CB LYS A 45 -7.398 9.798 -5.276 1.00 0.00 C ATOM 381 CG LYS A 45 -8.119 11.176 -5.110 1.00 0.00 C ATOM 382 CD LYS A 45 -8.482 11.843 -6.470 1.00 0.00 C ATOM 383 CE LYS A 45 -7.262 12.392 -7.227 1.00 0.00 C ATOM 384 NZ LYS A 45 -6.617 13.522 -6.518 1.00 0.00 N ATOM 0 H LYS A 45 -6.817 7.733 -6.570 1.00 0.00 H new ATOM 0 HA LYS A 45 -8.528 8.251 -4.268 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.682 9.691 -4.461 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.824 9.827 -6.202 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.029 11.035 -4.527 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.477 11.849 -4.542 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.992 11.113 -7.099 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -9.185 12.656 -6.291 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.535 11.592 -7.367 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.571 12.719 -8.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.899 13.954 -7.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.335 14.233 -6.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.163 13.173 -5.650 1.00 0.00 H new ATOM 398 N ALA A 46 -9.616 8.704 -7.365 1.00 0.00 N ATOM 399 CA ALA A 46 -10.801 8.930 -8.217 1.00 0.00 C ATOM 400 C ALA A 46 -11.787 7.756 -8.087 1.00 0.00 C ATOM 401 O ALA A 46 -13.009 7.954 -8.083 1.00 0.00 O ATOM 402 CB ALA A 46 -10.366 9.126 -9.684 1.00 0.00 C ATOM 0 H ALA A 46 -8.763 8.522 -7.895 1.00 0.00 H new ATOM 0 HA ALA A 46 -11.310 9.835 -7.885 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.246 9.292 -10.305 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.704 9.989 -9.755 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.840 8.236 -10.030 1.00 0.00 H new ATOM 408 N SER A 47 -11.229 6.540 -7.951 1.00 0.00 N ATOM 409 CA SER A 47 -12.008 5.299 -7.811 1.00 0.00 C ATOM 410 C SER A 47 -12.351 5.015 -6.332 1.00 0.00 C ATOM 411 O SER A 47 -13.049 4.039 -6.035 1.00 0.00 O ATOM 412 CB SER A 47 -11.206 4.130 -8.391 1.00 0.00 C ATOM 413 OG SER A 47 -10.012 3.913 -7.652 1.00 0.00 O ATOM 0 H SER A 47 -10.220 6.391 -7.935 1.00 0.00 H new ATOM 0 HA SER A 47 -12.944 5.416 -8.356 1.00 0.00 H new ATOM 0 HB2 SER A 47 -11.815 3.226 -8.379 1.00 0.00 H new ATOM 0 HB3 SER A 47 -10.960 4.335 -9.433 1.00 0.00 H new ATOM 0 HG SER A 47 -9.320 4.535 -7.959 1.00 0.00 H new ATOM 419 N ASN A 48 -11.809 5.853 -5.418 1.00 0.00 N ATOM 420 CA ASN A 48 -12.073 5.791 -3.957 1.00 0.00 C ATOM 421 C ASN A 48 -11.547 4.479 -3.325 1.00 0.00 C ATOM 422 O ASN A 48 -12.015 4.054 -2.261 1.00 0.00 O ATOM 423 CB ASN A 48 -13.590 6.016 -3.656 1.00 0.00 C ATOM 424 CG ASN A 48 -14.129 7.366 -4.149 1.00 0.00 C ATOM 425 OD1 ASN A 48 -13.302 8.410 -4.102 1.00 0.00 O flip ATOM 426 ND2 ASN A 48 -15.284 7.478 -4.560 1.00 0.00 N flip ATOM 0 H ASN A 48 -11.167 6.602 -5.676 1.00 0.00 H new ATOM 0 HA ASN A 48 -11.517 6.603 -3.488 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -14.165 5.215 -4.120 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -13.752 5.942 -2.581 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -15.897 6.663 -4.586 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -15.628 8.385 -4.875 1.00 0.00 H new ATOM 433 N GLY A 49 -10.548 3.865 -3.987 1.00 0.00 N ATOM 434 CA GLY A 49 -9.894 2.650 -3.498 1.00 0.00 C ATOM 435 C GLY A 49 -10.230 1.417 -4.320 1.00 0.00 C ATOM 436 O GLY A 49 -9.708 0.333 -4.044 1.00 0.00 O ATOM 0 H GLY A 49 -10.176 4.202 -4.875 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -8.814 2.799 -3.503 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -10.187 2.479 -2.462 1.00 0.00 H new ATOM 440 N ASP A 50 -11.111 1.573 -5.332 1.00 0.00 N ATOM 441 CA ASP A 50 -11.511 0.462 -6.214 1.00 0.00 C ATOM 442 C ASP A 50 -10.492 0.350 -7.365 1.00 0.00 C ATOM 443 O ASP A 50 -10.550 1.111 -8.336 1.00 0.00 O ATOM 444 CB ASP A 50 -12.954 0.679 -6.754 1.00 0.00 C ATOM 445 CG ASP A 50 -13.560 -0.599 -7.368 1.00 0.00 C ATOM 446 OD1 ASP A 50 -13.140 -1.000 -8.471 1.00 0.00 O ATOM 447 OD2 ASP A 50 -14.444 -1.224 -6.734 1.00 0.00 O ATOM 0 H ASP A 50 -11.558 2.462 -5.556 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.517 -0.471 -5.651 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -13.593 1.025 -5.941 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -12.941 1.467 -7.507 1.00 0.00 H new ATOM 452 N ILE A 51 -9.560 -0.605 -7.243 1.00 0.00 N ATOM 453 CA ILE A 51 -8.421 -0.744 -8.171 1.00 0.00 C ATOM 454 C ILE A 51 -8.876 -1.149 -9.600 1.00 0.00 C ATOM 455 O ILE A 51 -8.196 -0.838 -10.587 1.00 0.00 O ATOM 456 CB ILE A 51 -7.361 -1.752 -7.598 1.00 0.00 C ATOM 457 CG1 ILE A 51 -6.036 -1.734 -8.426 1.00 0.00 C ATOM 458 CG2 ILE A 51 -7.941 -3.184 -7.508 1.00 0.00 C ATOM 459 CD1 ILE A 51 -4.876 -2.413 -7.756 1.00 0.00 C ATOM 0 H ILE A 51 -9.571 -1.304 -6.500 1.00 0.00 H new ATOM 0 HA ILE A 51 -7.949 0.234 -8.260 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.118 -1.423 -6.588 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -6.216 -2.214 -9.388 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.765 -0.699 -8.633 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.184 -3.859 -7.108 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -8.811 -3.184 -6.851 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -8.237 -3.520 -8.502 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.998 -2.354 -8.400 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.664 -1.920 -6.807 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.122 -3.459 -7.574 1.00 0.00 H new ATOM 471 N THR A 52 -10.054 -1.800 -9.693 1.00 0.00 N ATOM 472 CA THR A 52 -10.664 -2.197 -10.972 1.00 0.00 C ATOM 473 C THR A 52 -11.111 -0.943 -11.763 1.00 0.00 C ATOM 474 O THR A 52 -10.834 -0.815 -12.966 1.00 0.00 O ATOM 475 CB THR A 52 -11.881 -3.148 -10.730 1.00 0.00 C ATOM 476 OG1 THR A 52 -11.493 -4.230 -9.862 1.00 0.00 O ATOM 477 CG2 THR A 52 -12.451 -3.723 -12.042 1.00 0.00 C ATOM 0 H THR A 52 -10.608 -2.064 -8.878 1.00 0.00 H new ATOM 0 HA THR A 52 -9.919 -2.735 -11.558 1.00 0.00 H new ATOM 0 HB THR A 52 -12.665 -2.551 -10.264 1.00 0.00 H new ATOM 0 HG1 THR A 52 -12.260 -4.821 -9.713 1.00 0.00 H new ATOM 0 HG21 THR A 52 -13.294 -4.376 -11.817 1.00 0.00 H new ATOM 0 HG22 THR A 52 -12.786 -2.907 -12.682 1.00 0.00 H new ATOM 0 HG23 THR A 52 -11.677 -4.293 -12.556 1.00 0.00 H new ATOM 485 N GLN A 53 -11.777 -0.005 -11.058 1.00 0.00 N ATOM 486 CA GLN A 53 -12.203 1.281 -11.645 1.00 0.00 C ATOM 487 C GLN A 53 -10.992 2.185 -11.920 1.00 0.00 C ATOM 488 O GLN A 53 -11.015 2.975 -12.858 1.00 0.00 O ATOM 489 CB GLN A 53 -13.227 1.994 -10.723 1.00 0.00 C ATOM 490 CG GLN A 53 -14.573 1.259 -10.558 1.00 0.00 C ATOM 491 CD GLN A 53 -15.317 1.049 -11.877 1.00 0.00 C ATOM 492 OE1 GLN A 53 -15.164 0.025 -12.548 1.00 0.00 O ATOM 493 NE2 GLN A 53 -16.098 2.040 -12.287 1.00 0.00 N ATOM 0 H GLN A 53 -12.032 -0.116 -10.077 1.00 0.00 H new ATOM 0 HA GLN A 53 -12.691 1.074 -12.597 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -12.778 2.125 -9.738 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -13.420 2.990 -11.121 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -14.394 0.290 -10.092 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -15.208 1.827 -9.878 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -16.206 2.875 -11.712 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -16.590 1.966 -13.177 1.00 0.00 H new ATOM 502 N ALA A 54 -9.931 2.034 -11.101 1.00 0.00 N ATOM 503 CA ALA A 54 -8.690 2.826 -11.222 1.00 0.00 C ATOM 504 C ALA A 54 -7.960 2.529 -12.550 1.00 0.00 C ATOM 505 O ALA A 54 -7.632 3.460 -13.313 1.00 0.00 O ATOM 506 CB ALA A 54 -7.777 2.554 -10.016 1.00 0.00 C ATOM 0 H ALA A 54 -9.911 1.359 -10.337 1.00 0.00 H new ATOM 0 HA ALA A 54 -8.955 3.883 -11.230 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.864 3.141 -10.111 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -8.294 2.834 -9.098 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.525 1.494 -9.982 1.00 0.00 H new ATOM 512 N VAL A 55 -7.733 1.221 -12.829 1.00 0.00 N ATOM 513 CA VAL A 55 -7.092 0.774 -14.088 1.00 0.00 C ATOM 514 C VAL A 55 -7.988 1.105 -15.276 1.00 0.00 C ATOM 515 O VAL A 55 -7.487 1.544 -16.317 1.00 0.00 O ATOM 516 CB VAL A 55 -6.721 -0.765 -14.097 1.00 0.00 C ATOM 517 CG1 VAL A 55 -7.935 -1.678 -13.814 1.00 0.00 C ATOM 518 CG2 VAL A 55 -6.011 -1.178 -15.421 1.00 0.00 C ATOM 0 H VAL A 55 -7.985 0.459 -12.199 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.150 1.317 -14.165 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.019 -0.909 -13.275 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.618 -2.721 -13.833 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.347 -1.442 -12.833 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.697 -1.516 -14.576 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.772 -2.241 -15.389 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.671 -0.979 -16.265 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.092 -0.603 -15.536 1.00 0.00 H new ATOM 528 N SER A 56 -9.322 0.930 -15.081 1.00 0.00 N ATOM 529 CA SER A 56 -10.334 1.245 -16.096 1.00 0.00 C ATOM 530 C SER A 56 -10.177 2.695 -16.572 1.00 0.00 C ATOM 531 O SER A 56 -10.105 2.926 -17.768 1.00 0.00 O ATOM 532 CB SER A 56 -11.751 0.992 -15.536 1.00 0.00 C ATOM 533 OG SER A 56 -12.754 1.121 -16.530 1.00 0.00 O ATOM 0 H SER A 56 -9.714 0.566 -14.213 1.00 0.00 H new ATOM 0 HA SER A 56 -10.189 0.590 -16.955 1.00 0.00 H new ATOM 0 HB2 SER A 56 -11.796 -0.008 -15.106 1.00 0.00 H new ATOM 0 HB3 SER A 56 -11.951 1.696 -14.728 1.00 0.00 H new ATOM 0 HG SER A 56 -12.678 1.998 -16.960 1.00 0.00 H new ATOM 539 N LEU A 57 -10.042 3.640 -15.615 1.00 0.00 N ATOM 540 CA LEU A 57 -9.868 5.086 -15.916 1.00 0.00 C ATOM 541 C LEU A 57 -8.559 5.344 -16.686 1.00 0.00 C ATOM 542 O LEU A 57 -8.547 6.087 -17.685 1.00 0.00 O ATOM 543 CB LEU A 57 -9.875 5.918 -14.599 1.00 0.00 C ATOM 544 CG LEU A 57 -11.230 5.947 -13.820 1.00 0.00 C ATOM 545 CD1 LEU A 57 -11.077 6.593 -12.421 1.00 0.00 C ATOM 546 CD2 LEU A 57 -12.341 6.647 -14.646 1.00 0.00 C ATOM 0 H LEU A 57 -10.050 3.428 -14.617 1.00 0.00 H new ATOM 0 HA LEU A 57 -10.703 5.396 -16.544 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -9.105 5.521 -13.937 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.593 6.943 -14.838 1.00 0.00 H new ATOM 0 HG LEU A 57 -11.534 4.912 -13.665 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -12.041 6.593 -11.913 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -10.358 6.023 -11.834 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -10.724 7.618 -12.530 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -13.270 6.651 -14.076 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -12.043 7.673 -14.861 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -12.491 6.110 -15.582 1.00 0.00 H new ATOM 558 N LEU A 58 -7.468 4.712 -16.213 1.00 0.00 N ATOM 559 CA LEU A 58 -6.130 4.869 -16.815 1.00 0.00 C ATOM 560 C LEU A 58 -6.015 4.180 -18.195 1.00 0.00 C ATOM 561 O LEU A 58 -5.060 4.450 -18.926 1.00 0.00 O ATOM 562 CB LEU A 58 -5.024 4.353 -15.847 1.00 0.00 C ATOM 563 CG LEU A 58 -4.879 5.123 -14.488 1.00 0.00 C ATOM 564 CD1 LEU A 58 -3.742 4.542 -13.622 1.00 0.00 C ATOM 565 CD2 LEU A 58 -4.686 6.647 -14.700 1.00 0.00 C ATOM 0 H LEU A 58 -7.488 4.083 -15.410 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.982 5.936 -16.981 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.223 3.304 -15.627 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.067 4.393 -16.367 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.816 4.982 -13.950 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.673 5.102 -12.689 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.951 3.495 -13.402 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.798 4.618 -14.162 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.590 7.140 -13.732 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.784 6.821 -15.287 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.548 7.053 -15.230 1.00 0.00 H new ATOM 577 N THR A 59 -6.966 3.283 -18.538 1.00 0.00 N ATOM 578 CA THR A 59 -7.008 2.614 -19.869 1.00 0.00 C ATOM 579 C THR A 59 -8.287 2.980 -20.670 1.00 0.00 C ATOM 580 O THR A 59 -8.478 2.497 -21.789 1.00 0.00 O ATOM 581 CB THR A 59 -6.881 1.056 -19.729 1.00 0.00 C ATOM 582 OG1 THR A 59 -7.954 0.542 -18.921 1.00 0.00 O ATOM 583 CG2 THR A 59 -5.523 0.632 -19.122 1.00 0.00 C ATOM 0 H THR A 59 -7.720 3.001 -17.912 1.00 0.00 H new ATOM 0 HA THR A 59 -6.150 2.984 -20.429 1.00 0.00 H new ATOM 0 HB THR A 59 -6.940 0.637 -20.733 1.00 0.00 H new ATOM 0 HG1 THR A 59 -7.857 0.868 -18.002 1.00 0.00 H new ATOM 0 HG21 THR A 59 -5.482 -0.455 -19.045 1.00 0.00 H new ATOM 0 HG22 THR A 59 -4.713 0.981 -19.763 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.415 1.070 -18.130 1.00 0.00 H new ATOM 591 N ASP A 60 -9.157 3.842 -20.100 1.00 0.00 N ATOM 592 CA ASP A 60 -10.354 4.368 -20.814 1.00 0.00 C ATOM 593 C ASP A 60 -9.947 5.511 -21.746 1.00 0.00 C ATOM 594 O ASP A 60 -10.534 5.699 -22.819 1.00 0.00 O ATOM 595 CB ASP A 60 -11.483 4.843 -19.828 1.00 0.00 C ATOM 596 CG ASP A 60 -12.610 3.808 -19.646 1.00 0.00 C ATOM 597 OD1 ASP A 60 -13.255 3.452 -20.649 1.00 0.00 O ATOM 598 OD2 ASP A 60 -12.884 3.372 -18.509 1.00 0.00 O ATOM 0 H ASP A 60 -9.058 4.192 -19.147 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.768 3.548 -21.400 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -11.039 5.061 -18.857 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.911 5.774 -20.199 1.00 0.00 H new ATOM 603 N GLU A 61 -8.923 6.265 -21.320 1.00 0.00 N ATOM 604 CA GLU A 61 -8.413 7.440 -22.052 1.00 0.00 C ATOM 605 C GLU A 61 -7.666 7.051 -23.355 1.00 0.00 C ATOM 606 O GLU A 61 -7.345 7.924 -24.158 1.00 0.00 O ATOM 607 CB GLU A 61 -7.540 8.324 -21.101 1.00 0.00 C ATOM 608 CG GLU A 61 -6.418 7.596 -20.316 1.00 0.00 C ATOM 609 CD GLU A 61 -5.193 7.219 -21.173 1.00 0.00 C ATOM 610 OE1 GLU A 61 -4.374 8.116 -21.478 1.00 0.00 O ATOM 611 OE2 GLU A 61 -5.044 6.035 -21.545 1.00 0.00 O ATOM 0 H GLU A 61 -8.420 6.078 -20.452 1.00 0.00 H new ATOM 0 HA GLU A 61 -9.267 8.034 -22.377 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -7.083 9.115 -21.695 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -8.201 8.807 -20.382 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -6.091 8.234 -19.495 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.830 6.690 -19.871 1.00 0.00 H new ATOM 618 N ARG A 62 -7.385 5.737 -23.552 1.00 0.00 N ATOM 619 CA ARG A 62 -6.760 5.227 -24.801 1.00 0.00 C ATOM 620 C ARG A 62 -7.849 4.725 -25.783 1.00 0.00 C ATOM 621 O ARG A 62 -7.706 4.853 -27.002 1.00 0.00 O ATOM 622 CB ARG A 62 -5.724 4.095 -24.509 1.00 0.00 C ATOM 623 CG ARG A 62 -6.321 2.730 -24.118 1.00 0.00 C ATOM 624 CD ARG A 62 -5.263 1.627 -23.954 1.00 0.00 C ATOM 625 NE ARG A 62 -5.881 0.314 -23.746 1.00 0.00 N ATOM 626 CZ ARG A 62 -5.254 -0.794 -23.300 1.00 0.00 C ATOM 627 NH1 ARG A 62 -3.989 -0.742 -22.888 1.00 0.00 N ATOM 628 NH2 ARG A 62 -5.919 -1.929 -23.220 1.00 0.00 N ATOM 0 H ARG A 62 -7.581 5.012 -22.862 1.00 0.00 H new ATOM 0 HA ARG A 62 -6.221 6.054 -25.262 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.102 3.959 -25.394 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.067 4.427 -23.706 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -6.872 2.837 -23.184 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -7.039 2.424 -24.879 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -4.629 1.595 -24.840 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.617 1.864 -23.108 1.00 0.00 H new ATOM 0 HE ARG A 62 -6.875 0.231 -23.958 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -3.482 0.143 -22.907 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -3.527 -1.587 -22.553 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -6.901 -1.965 -23.494 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -5.452 -2.771 -22.884 1.00 0.00 H new ATOM 642 N VAL A 63 -8.947 4.173 -25.220 1.00 0.00 N ATOM 643 CA VAL A 63 -10.085 3.617 -25.996 1.00 0.00 C ATOM 644 C VAL A 63 -11.233 4.650 -26.070 1.00 0.00 C ATOM 645 O VAL A 63 -12.384 4.321 -26.374 1.00 0.00 O ATOM 646 CB VAL A 63 -10.536 2.232 -25.358 1.00 0.00 C ATOM 647 CG1 VAL A 63 -11.218 2.412 -23.981 1.00 0.00 C ATOM 648 CG2 VAL A 63 -11.400 1.380 -26.321 1.00 0.00 C ATOM 0 H VAL A 63 -9.072 4.099 -24.210 1.00 0.00 H new ATOM 0 HA VAL A 63 -9.780 3.416 -27.023 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.618 1.670 -25.187 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -11.507 1.437 -23.588 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -10.523 2.890 -23.291 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -12.105 3.036 -24.093 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -11.678 0.447 -25.831 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -12.301 1.933 -26.587 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -10.830 1.160 -27.224 1.00 0.00 H new ATOM 658 N LYS A 64 -10.871 5.923 -25.812 1.00 0.00 N ATOM 659 CA LYS A 64 -11.757 7.075 -25.943 1.00 0.00 C ATOM 660 C LYS A 64 -12.314 7.195 -27.384 1.00 0.00 C ATOM 661 O LYS A 64 -11.561 7.418 -28.333 1.00 0.00 O ATOM 662 CB LYS A 64 -11.000 8.384 -25.548 1.00 0.00 C ATOM 663 CG LYS A 64 -9.642 8.621 -26.298 1.00 0.00 C ATOM 664 CD LYS A 64 -9.389 10.096 -26.690 1.00 0.00 C ATOM 665 CE LYS A 64 -10.354 10.594 -27.792 1.00 0.00 C ATOM 666 NZ LYS A 64 -10.216 9.819 -29.058 1.00 0.00 N ATOM 0 H LYS A 64 -9.933 6.174 -25.501 1.00 0.00 H new ATOM 0 HA LYS A 64 -12.600 6.931 -25.267 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -11.655 9.235 -25.737 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -10.806 8.363 -24.476 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -8.824 8.279 -25.664 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -9.625 8.008 -27.199 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -9.496 10.726 -25.807 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -8.361 10.205 -27.036 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -11.381 10.520 -27.433 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -10.161 11.648 -27.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -10.667 10.342 -29.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -9.208 9.681 -29.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -10.677 8.893 -28.950 1.00 0.00 H new ATOM 680 N GLU A 65 -13.619 6.970 -27.532 1.00 0.00 N ATOM 681 CA GLU A 65 -14.358 7.312 -28.762 1.00 0.00 C ATOM 682 C GLU A 65 -14.208 8.822 -29.116 1.00 0.00 C ATOM 683 O GLU A 65 -14.339 9.670 -28.228 1.00 0.00 O ATOM 684 CB GLU A 65 -15.853 6.911 -28.626 1.00 0.00 C ATOM 685 CG GLU A 65 -16.101 5.395 -28.632 1.00 0.00 C ATOM 686 CD GLU A 65 -15.645 4.729 -29.952 1.00 0.00 C ATOM 687 OE1 GLU A 65 -14.461 4.341 -30.076 1.00 0.00 O ATOM 688 OE2 GLU A 65 -16.477 4.603 -30.875 1.00 0.00 O ATOM 0 H GLU A 65 -14.199 6.546 -26.808 1.00 0.00 H new ATOM 0 HA GLU A 65 -13.925 6.744 -29.585 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -16.247 7.329 -27.699 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -16.415 7.363 -29.443 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -15.571 4.939 -27.796 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -17.163 5.202 -28.479 1.00 0.00 H new ATOM 695 N PRO A 66 -13.895 9.193 -30.403 1.00 0.00 N ATOM 696 CA PRO A 66 -13.680 8.245 -31.524 1.00 0.00 C ATOM 697 C PRO A 66 -12.269 7.583 -31.509 1.00 0.00 C ATOM 698 O PRO A 66 -11.239 8.266 -31.373 1.00 0.00 O ATOM 699 CB PRO A 66 -13.894 9.131 -32.775 1.00 0.00 C ATOM 700 CG PRO A 66 -13.443 10.503 -32.349 1.00 0.00 C ATOM 701 CD PRO A 66 -13.731 10.608 -30.856 1.00 0.00 C ATOM 0 HA PRO A 66 -14.356 7.391 -31.477 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -13.313 8.768 -33.622 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -14.939 9.135 -33.084 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -12.381 10.642 -32.550 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -13.976 11.276 -32.902 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -12.914 11.101 -30.329 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -14.632 11.192 -30.666 1.00 0.00 H new ATOM 709 N SER A 67 -12.264 6.243 -31.595 1.00 0.00 N ATOM 710 CA SER A 67 -11.044 5.427 -31.678 1.00 0.00 C ATOM 711 C SER A 67 -11.363 4.110 -32.393 1.00 0.00 C ATOM 712 O SER A 67 -12.522 3.683 -32.426 1.00 0.00 O ATOM 713 CB SER A 67 -10.478 5.141 -30.262 1.00 0.00 C ATOM 714 OG SER A 67 -11.438 4.502 -29.431 1.00 0.00 O ATOM 0 H SER A 67 -13.120 5.689 -31.609 1.00 0.00 H new ATOM 0 HA SER A 67 -10.289 5.975 -32.241 1.00 0.00 H new ATOM 0 HB2 SER A 67 -9.592 4.512 -30.345 1.00 0.00 H new ATOM 0 HB3 SER A 67 -10.162 6.077 -29.800 1.00 0.00 H new ATOM 0 HG SER A 67 -12.308 4.495 -29.882 1.00 0.00 H new ATOM 720 N GLN A 68 -10.334 3.477 -32.965 1.00 0.00 N ATOM 721 CA GLN A 68 -10.462 2.178 -33.636 1.00 0.00 C ATOM 722 C GLN A 68 -9.157 1.379 -33.482 1.00 0.00 C ATOM 723 O GLN A 68 -8.117 1.767 -34.033 1.00 0.00 O ATOM 724 CB GLN A 68 -10.830 2.357 -35.139 1.00 0.00 C ATOM 725 CG GLN A 68 -11.051 1.034 -35.911 1.00 0.00 C ATOM 726 CD GLN A 68 -12.156 0.151 -35.310 1.00 0.00 C ATOM 727 OE1 GLN A 68 -11.903 -0.680 -34.433 1.00 0.00 O ATOM 728 NE2 GLN A 68 -13.381 0.327 -35.768 1.00 0.00 N ATOM 0 H GLN A 68 -9.385 3.852 -32.976 1.00 0.00 H new ATOM 0 HA GLN A 68 -11.272 1.622 -33.164 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -11.736 2.958 -35.208 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -10.036 2.920 -35.629 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -11.304 1.264 -36.946 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -10.117 0.472 -35.928 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -13.559 1.022 -36.493 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -14.149 -0.232 -35.397 1.00 0.00 H new ATOM 737 N ASP A 69 -9.228 0.288 -32.701 1.00 0.00 N ATOM 738 CA ASP A 69 -8.130 -0.687 -32.563 1.00 0.00 C ATOM 739 C ASP A 69 -8.711 -1.998 -32.010 1.00 0.00 C ATOM 740 O ASP A 69 -9.785 -1.992 -31.396 1.00 0.00 O ATOM 741 CB ASP A 69 -6.987 -0.153 -31.649 1.00 0.00 C ATOM 742 CG ASP A 69 -5.643 -0.865 -31.915 1.00 0.00 C ATOM 743 OD1 ASP A 69 -5.361 -1.907 -31.293 1.00 0.00 O ATOM 744 OD2 ASP A 69 -4.869 -0.381 -32.775 1.00 0.00 O ATOM 0 H ASP A 69 -10.051 0.056 -32.145 1.00 0.00 H new ATOM 0 HA ASP A 69 -7.684 -0.860 -33.542 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -6.866 0.918 -31.810 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -7.267 -0.288 -30.604 1.00 0.00 H new ATOM 749 N THR A 70 -8.003 -3.109 -32.226 1.00 0.00 N ATOM 750 CA THR A 70 -8.490 -4.449 -31.866 1.00 0.00 C ATOM 751 C THR A 70 -8.013 -4.867 -30.457 1.00 0.00 C ATOM 752 O THR A 70 -7.126 -4.233 -29.870 1.00 0.00 O ATOM 753 CB THR A 70 -8.046 -5.494 -32.942 1.00 0.00 C ATOM 754 OG1 THR A 70 -8.730 -6.736 -32.729 1.00 0.00 O ATOM 755 CG2 THR A 70 -6.526 -5.744 -32.942 1.00 0.00 C ATOM 0 H THR A 70 -7.077 -3.109 -32.654 1.00 0.00 H new ATOM 0 HA THR A 70 -9.579 -4.417 -31.841 1.00 0.00 H new ATOM 0 HB THR A 70 -8.308 -5.075 -33.914 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.449 -7.385 -33.407 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.278 -6.478 -33.709 1.00 0.00 H new ATOM 0 HG22 THR A 70 -6.004 -4.810 -33.151 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.219 -6.121 -31.966 1.00 0.00 H new ATOM 763 N VAL A 71 -8.624 -5.943 -29.922 1.00 0.00 N ATOM 764 CA VAL A 71 -8.318 -6.463 -28.579 1.00 0.00 C ATOM 765 C VAL A 71 -7.101 -7.413 -28.640 1.00 0.00 C ATOM 766 O VAL A 71 -7.203 -8.528 -29.175 1.00 0.00 O ATOM 767 CB VAL A 71 -9.563 -7.224 -27.968 1.00 0.00 C ATOM 768 CG1 VAL A 71 -9.294 -7.671 -26.509 1.00 0.00 C ATOM 769 CG2 VAL A 71 -10.854 -6.368 -28.063 1.00 0.00 C ATOM 0 H VAL A 71 -9.344 -6.475 -30.411 1.00 0.00 H new ATOM 0 HA VAL A 71 -8.082 -5.616 -27.934 1.00 0.00 H new ATOM 0 HB VAL A 71 -9.718 -8.123 -28.565 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -10.170 -8.191 -26.120 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -8.435 -8.341 -26.486 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -9.088 -6.796 -25.893 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -11.690 -6.921 -27.634 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -10.715 -5.437 -27.513 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -11.066 -6.144 -29.108 1.00 0.00 H new ATOM 779 N ALA A 72 -5.948 -6.953 -28.125 1.00 0.00 N ATOM 780 CA ALA A 72 -4.723 -7.770 -28.014 1.00 0.00 C ATOM 781 C ALA A 72 -4.598 -8.383 -26.602 1.00 0.00 C ATOM 782 O ALA A 72 -3.687 -9.175 -26.339 1.00 0.00 O ATOM 783 CB ALA A 72 -3.494 -6.918 -28.364 1.00 0.00 C ATOM 0 H ALA A 72 -5.837 -6.002 -27.773 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.783 -8.595 -28.723 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -2.594 -7.527 -28.280 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.587 -6.547 -29.385 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -3.428 -6.075 -27.676 1.00 0.00 H new ATOM 789 N THR A 73 -5.513 -7.996 -25.692 1.00 0.00 N ATOM 790 CA THR A 73 -5.585 -8.551 -24.336 1.00 0.00 C ATOM 791 C THR A 73 -6.505 -9.790 -24.338 1.00 0.00 C ATOM 792 O THR A 73 -7.734 -9.659 -24.381 1.00 0.00 O ATOM 793 CB THR A 73 -6.106 -7.476 -23.318 1.00 0.00 C ATOM 794 OG1 THR A 73 -5.299 -6.287 -23.409 1.00 0.00 O ATOM 795 CG2 THR A 73 -6.086 -7.989 -21.865 1.00 0.00 C ATOM 0 H THR A 73 -6.222 -7.288 -25.882 1.00 0.00 H new ATOM 0 HA THR A 73 -4.585 -8.847 -24.021 1.00 0.00 H new ATOM 0 HB THR A 73 -7.141 -7.257 -23.582 1.00 0.00 H new ATOM 0 HG1 THR A 73 -5.629 -5.618 -22.773 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.455 -7.209 -21.199 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.723 -8.870 -21.781 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.066 -8.251 -21.586 1.00 0.00 H new ATOM 803 N GLU A 74 -5.899 -10.989 -24.341 1.00 0.00 N ATOM 804 CA GLU A 74 -6.636 -12.265 -24.317 1.00 0.00 C ATOM 805 C GLU A 74 -7.073 -12.613 -22.879 1.00 0.00 C ATOM 806 O GLU A 74 -6.214 -12.723 -21.991 1.00 0.00 O ATOM 807 CB GLU A 74 -5.758 -13.411 -24.920 1.00 0.00 C ATOM 808 CG GLU A 74 -5.768 -13.514 -26.463 1.00 0.00 C ATOM 809 CD GLU A 74 -5.397 -12.204 -27.183 1.00 0.00 C ATOM 810 OE1 GLU A 74 -4.196 -11.959 -27.419 1.00 0.00 O ATOM 811 OE2 GLU A 74 -6.311 -11.414 -27.526 1.00 0.00 O ATOM 0 H GLU A 74 -4.885 -11.102 -24.360 1.00 0.00 H new ATOM 0 HA GLU A 74 -7.532 -12.159 -24.928 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -4.729 -13.269 -24.589 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -6.098 -14.361 -24.507 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -5.071 -14.294 -26.769 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -6.760 -13.827 -26.789 1.00 0.00 H new ATOM 818 N PRO A 75 -8.417 -12.776 -22.616 1.00 0.00 N ATOM 819 CA PRO A 75 -8.936 -13.302 -21.330 1.00 0.00 C ATOM 820 C PRO A 75 -8.741 -14.835 -21.243 1.00 0.00 C ATOM 821 O PRO A 75 -9.698 -15.617 -21.354 1.00 0.00 O ATOM 822 CB PRO A 75 -10.434 -12.884 -21.365 1.00 0.00 C ATOM 823 CG PRO A 75 -10.779 -12.900 -22.824 1.00 0.00 C ATOM 824 CD PRO A 75 -9.532 -12.425 -23.544 1.00 0.00 C ATOM 0 HA PRO A 75 -8.422 -12.915 -20.450 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -11.056 -13.578 -20.800 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -10.583 -11.896 -20.930 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -11.062 -13.901 -23.149 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -11.626 -12.246 -23.034 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -9.417 -12.918 -24.509 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -9.567 -11.353 -23.736 1.00 0.00 H new ATOM 832 N SER A 76 -7.469 -15.246 -21.080 1.00 0.00 N ATOM 833 CA SER A 76 -7.058 -16.655 -21.009 1.00 0.00 C ATOM 834 C SER A 76 -7.446 -17.262 -19.638 1.00 0.00 C ATOM 835 O SER A 76 -6.638 -17.301 -18.695 1.00 0.00 O ATOM 836 CB SER A 76 -5.534 -16.761 -21.284 1.00 0.00 C ATOM 837 OG SER A 76 -4.789 -15.890 -20.437 1.00 0.00 O ATOM 0 H SER A 76 -6.688 -14.595 -20.993 1.00 0.00 H new ATOM 0 HA SER A 76 -7.580 -17.232 -21.772 1.00 0.00 H new ATOM 0 HB2 SER A 76 -5.206 -17.789 -21.130 1.00 0.00 H new ATOM 0 HB3 SER A 76 -5.333 -16.516 -22.327 1.00 0.00 H new ATOM 0 HG SER A 76 -5.071 -16.018 -19.507 1.00 0.00 H new ATOM 843 N GLU A 77 -8.719 -17.671 -19.535 1.00 0.00 N ATOM 844 CA GLU A 77 -9.284 -18.281 -18.324 1.00 0.00 C ATOM 845 C GLU A 77 -9.342 -19.802 -18.534 1.00 0.00 C ATOM 846 O GLU A 77 -10.359 -20.350 -18.978 1.00 0.00 O ATOM 847 CB GLU A 77 -10.691 -17.684 -18.023 1.00 0.00 C ATOM 848 CG GLU A 77 -11.268 -18.060 -16.642 1.00 0.00 C ATOM 849 CD GLU A 77 -12.687 -17.511 -16.416 1.00 0.00 C ATOM 850 OE1 GLU A 77 -12.835 -16.325 -16.052 1.00 0.00 O ATOM 851 OE2 GLU A 77 -13.668 -18.265 -16.610 1.00 0.00 O ATOM 0 H GLU A 77 -9.391 -17.586 -20.298 1.00 0.00 H new ATOM 0 HA GLU A 77 -8.657 -18.065 -17.459 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -10.633 -16.598 -18.094 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -11.385 -18.017 -18.795 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -11.284 -19.145 -16.544 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.608 -17.679 -15.862 1.00 0.00 H new ATOM 858 N VAL A 78 -8.201 -20.468 -18.280 1.00 0.00 N ATOM 859 CA VAL A 78 -8.020 -21.908 -18.545 1.00 0.00 C ATOM 860 C VAL A 78 -7.497 -22.628 -17.283 1.00 0.00 C ATOM 861 O VAL A 78 -6.672 -22.084 -16.537 1.00 0.00 O ATOM 862 CB VAL A 78 -7.043 -22.140 -19.764 1.00 0.00 C ATOM 863 CG1 VAL A 78 -7.673 -21.638 -21.092 1.00 0.00 C ATOM 864 CG2 VAL A 78 -5.661 -21.475 -19.520 1.00 0.00 C ATOM 0 H VAL A 78 -7.374 -20.021 -17.883 1.00 0.00 H new ATOM 0 HA VAL A 78 -8.990 -22.330 -18.807 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.882 -23.214 -19.852 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.977 -21.811 -21.913 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -8.600 -22.179 -21.282 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -7.884 -20.572 -21.014 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.014 -21.655 -20.379 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.793 -20.402 -19.383 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.205 -21.901 -18.627 1.00 0.00 H new ATOM 874 N GLU A 79 -8.020 -23.839 -17.048 1.00 0.00 N ATOM 875 CA GLU A 79 -7.625 -24.691 -15.912 1.00 0.00 C ATOM 876 C GLU A 79 -6.447 -25.591 -16.335 1.00 0.00 C ATOM 877 O GLU A 79 -6.354 -25.990 -17.500 1.00 0.00 O ATOM 878 CB GLU A 79 -8.825 -25.571 -15.435 1.00 0.00 C ATOM 879 CG GLU A 79 -9.997 -24.817 -14.753 1.00 0.00 C ATOM 880 CD GLU A 79 -10.809 -23.918 -15.708 1.00 0.00 C ATOM 881 OE1 GLU A 79 -11.686 -24.440 -16.432 1.00 0.00 O ATOM 882 OE2 GLU A 79 -10.584 -22.684 -15.731 1.00 0.00 O ATOM 0 H GLU A 79 -8.734 -24.260 -17.643 1.00 0.00 H new ATOM 0 HA GLU A 79 -7.320 -24.053 -15.082 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -9.219 -26.110 -16.297 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -8.446 -26.318 -14.738 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.668 -25.546 -14.299 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -9.599 -24.204 -13.945 1.00 0.00 H new ATOM 889 N GLY A 80 -5.557 -25.894 -15.378 1.00 0.00 N ATOM 890 CA GLY A 80 -4.429 -26.821 -15.594 1.00 0.00 C ATOM 891 C GLY A 80 -4.665 -28.181 -14.951 1.00 0.00 C ATOM 892 O GLY A 80 -3.706 -28.884 -14.591 1.00 0.00 O ATOM 0 H GLY A 80 -5.596 -25.507 -14.435 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -4.269 -26.951 -16.664 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -3.518 -26.382 -15.186 1.00 0.00 H new ATOM 896 N SER A 81 -5.951 -28.547 -14.782 1.00 0.00 N ATOM 897 CA SER A 81 -6.365 -29.817 -14.163 1.00 0.00 C ATOM 898 C SER A 81 -6.362 -30.948 -15.216 1.00 0.00 C ATOM 899 O SER A 81 -7.331 -31.120 -15.969 1.00 0.00 O ATOM 900 CB SER A 81 -7.759 -29.657 -13.499 1.00 0.00 C ATOM 901 OG SER A 81 -8.691 -29.049 -14.382 1.00 0.00 O ATOM 0 H SER A 81 -6.735 -27.964 -15.074 1.00 0.00 H new ATOM 0 HA SER A 81 -5.653 -30.088 -13.383 1.00 0.00 H new ATOM 0 HB2 SER A 81 -8.131 -30.635 -13.193 1.00 0.00 H new ATOM 0 HB3 SER A 81 -7.666 -29.054 -12.596 1.00 0.00 H new ATOM 0 HG SER A 81 -8.619 -29.462 -15.268 1.00 0.00 H new ATOM 907 N ALA A 82 -5.246 -31.686 -15.280 1.00 0.00 N ATOM 908 CA ALA A 82 -5.052 -32.802 -16.224 1.00 0.00 C ATOM 909 C ALA A 82 -4.315 -33.959 -15.517 1.00 0.00 C ATOM 910 O ALA A 82 -3.457 -34.630 -16.104 1.00 0.00 O ATOM 911 CB ALA A 82 -4.296 -32.294 -17.470 1.00 0.00 C ATOM 0 H ALA A 82 -4.442 -31.526 -14.673 1.00 0.00 H new ATOM 0 HA ALA A 82 -6.014 -33.189 -16.559 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -4.152 -33.118 -18.169 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -4.876 -31.507 -17.952 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -3.326 -31.898 -17.171 1.00 0.00 H new ATOM 917 N ALA A 83 -4.691 -34.197 -14.240 1.00 0.00 N ATOM 918 CA ALA A 83 -4.122 -35.273 -13.410 1.00 0.00 C ATOM 919 C ALA A 83 -4.712 -36.633 -13.828 1.00 0.00 C ATOM 920 O ALA A 83 -5.864 -36.954 -13.497 1.00 0.00 O ATOM 921 CB ALA A 83 -4.374 -34.990 -11.915 1.00 0.00 C ATOM 0 H ALA A 83 -5.400 -33.644 -13.758 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.044 -35.309 -13.566 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -3.947 -35.794 -11.316 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -3.906 -34.045 -11.640 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.447 -34.931 -11.732 1.00 0.00 H new ATOM 927 N ASN A 84 -3.935 -37.397 -14.607 1.00 0.00 N ATOM 928 CA ASN A 84 -4.308 -38.743 -15.069 1.00 0.00 C ATOM 929 C ASN A 84 -3.080 -39.667 -14.968 1.00 0.00 C ATOM 930 O ASN A 84 -2.151 -39.599 -15.787 1.00 0.00 O ATOM 931 CB ASN A 84 -4.903 -38.701 -16.518 1.00 0.00 C ATOM 932 CG ASN A 84 -3.989 -38.056 -17.580 1.00 0.00 C ATOM 933 OD1 ASN A 84 -3.183 -37.171 -17.290 1.00 0.00 O ATOM 934 ND2 ASN A 84 -4.120 -38.480 -18.826 1.00 0.00 N ATOM 0 H ASN A 84 -3.019 -37.095 -14.939 1.00 0.00 H new ATOM 0 HA ASN A 84 -5.095 -39.144 -14.430 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -5.134 -39.720 -16.829 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -5.846 -38.155 -16.492 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -3.548 -38.073 -19.566 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -4.793 -39.214 -19.047 1.00 0.00 H new ATOM 941 N LYS A 85 -3.051 -40.489 -13.905 1.00 0.00 N ATOM 942 CA LYS A 85 -1.954 -41.435 -13.656 1.00 0.00 C ATOM 943 C LYS A 85 -2.138 -42.680 -14.547 1.00 0.00 C ATOM 944 O LYS A 85 -2.663 -43.715 -14.118 1.00 0.00 O ATOM 945 CB LYS A 85 -1.880 -41.795 -12.138 1.00 0.00 C ATOM 946 CG LYS A 85 -0.646 -42.632 -11.709 1.00 0.00 C ATOM 947 CD LYS A 85 0.694 -41.901 -11.970 1.00 0.00 C ATOM 948 CE LYS A 85 1.908 -42.713 -11.500 1.00 0.00 C ATOM 949 NZ LYS A 85 1.890 -42.961 -10.037 1.00 0.00 N ATOM 0 H LYS A 85 -3.785 -40.515 -13.198 1.00 0.00 H new ATOM 0 HA LYS A 85 -1.001 -40.976 -13.918 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -1.887 -40.869 -11.562 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -2.782 -42.345 -11.869 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.725 -42.869 -10.648 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -0.649 -43.579 -12.249 1.00 0.00 H new ATOM 0 HD2 LYS A 85 0.790 -41.695 -13.036 1.00 0.00 H new ATOM 0 HD3 LYS A 85 0.685 -40.939 -11.458 1.00 0.00 H new ATOM 0 HE2 LYS A 85 1.930 -43.667 -12.027 1.00 0.00 H new ATOM 0 HE3 LYS A 85 2.822 -42.181 -11.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 2.797 -43.376 -9.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 1.742 -42.063 -9.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 1.118 -43.618 -9.806 1.00 0.00 H new ATOM 963 N GLU A 86 -1.758 -42.531 -15.821 1.00 0.00 N ATOM 964 CA GLU A 86 -1.906 -43.584 -16.840 1.00 0.00 C ATOM 965 C GLU A 86 -0.543 -43.917 -17.449 1.00 0.00 C ATOM 966 O GLU A 86 0.377 -43.088 -17.419 1.00 0.00 O ATOM 967 CB GLU A 86 -2.891 -43.130 -17.953 1.00 0.00 C ATOM 968 CG GLU A 86 -4.301 -42.761 -17.441 1.00 0.00 C ATOM 969 CD GLU A 86 -5.288 -42.413 -18.564 1.00 0.00 C ATOM 970 OE1 GLU A 86 -5.292 -41.263 -19.036 1.00 0.00 O ATOM 971 OE2 GLU A 86 -6.064 -43.299 -18.986 1.00 0.00 O ATOM 0 H GLU A 86 -1.337 -41.674 -16.179 1.00 0.00 H new ATOM 0 HA GLU A 86 -2.310 -44.476 -16.362 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -2.467 -42.268 -18.468 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -2.982 -43.928 -18.690 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -4.699 -43.595 -16.864 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -4.222 -41.912 -16.762 1.00 0.00 H new ATOM 978 N VAL A 87 -0.426 -45.138 -17.992 1.00 0.00 N ATOM 979 CA VAL A 87 0.788 -45.606 -18.690 1.00 0.00 C ATOM 980 C VAL A 87 0.655 -45.304 -20.196 1.00 0.00 C ATOM 981 O VAL A 87 -0.422 -45.493 -20.773 1.00 0.00 O ATOM 982 CB VAL A 87 1.016 -47.156 -18.469 1.00 0.00 C ATOM 983 CG1 VAL A 87 2.359 -47.630 -19.087 1.00 0.00 C ATOM 984 CG2 VAL A 87 0.933 -47.526 -16.963 1.00 0.00 C ATOM 0 H VAL A 87 -1.172 -45.833 -17.961 1.00 0.00 H new ATOM 0 HA VAL A 87 1.650 -45.080 -18.279 1.00 0.00 H new ATOM 0 HB VAL A 87 0.214 -47.680 -18.988 1.00 0.00 H new ATOM 0 HG11 VAL A 87 2.481 -48.699 -18.915 1.00 0.00 H new ATOM 0 HG12 VAL A 87 2.356 -47.432 -20.159 1.00 0.00 H new ATOM 0 HG13 VAL A 87 3.184 -47.091 -18.621 1.00 0.00 H new ATOM 0 HG21 VAL A 87 1.094 -48.597 -16.842 1.00 0.00 H new ATOM 0 HG22 VAL A 87 1.698 -46.980 -16.411 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.051 -47.261 -16.577 1.00 0.00 H new ATOM 994 N LEU A 88 1.755 -44.862 -20.830 1.00 0.00 N ATOM 995 CA LEU A 88 1.792 -44.504 -22.267 1.00 0.00 C ATOM 996 C LEU A 88 2.123 -45.772 -23.110 1.00 0.00 C ATOM 997 O LEU A 88 2.894 -45.718 -24.081 1.00 0.00 O ATOM 998 CB LEU A 88 2.848 -43.350 -22.487 1.00 0.00 C ATOM 999 CG LEU A 88 2.447 -42.181 -23.460 1.00 0.00 C ATOM 1000 CD1 LEU A 88 3.565 -41.115 -23.542 1.00 0.00 C ATOM 1001 CD2 LEU A 88 2.062 -42.690 -24.866 1.00 0.00 C ATOM 0 H LEU A 88 2.652 -44.741 -20.360 1.00 0.00 H new ATOM 0 HA LEU A 88 0.820 -44.135 -22.596 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.080 -42.915 -21.515 1.00 0.00 H new ATOM 0 HB3 LEU A 88 3.767 -43.801 -22.862 1.00 0.00 H new ATOM 0 HG LEU A 88 1.558 -41.712 -23.039 1.00 0.00 H new ATOM 0 HD11 LEU A 88 3.260 -40.319 -24.222 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.743 -40.697 -22.551 1.00 0.00 H new ATOM 0 HD13 LEU A 88 4.481 -41.576 -23.911 1.00 0.00 H new ATOM 0 HD21 LEU A 88 1.794 -41.844 -25.498 1.00 0.00 H new ATOM 0 HD22 LEU A 88 2.908 -43.218 -25.306 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.212 -43.368 -24.787 1.00 0.00 H new ATOM 1013 N ALA A 89 1.507 -46.907 -22.740 1.00 0.00 N ATOM 1014 CA ALA A 89 1.699 -48.192 -23.426 1.00 0.00 C ATOM 1015 C ALA A 89 0.677 -48.329 -24.566 1.00 0.00 C ATOM 1016 O ALA A 89 -0.479 -47.924 -24.411 1.00 0.00 O ATOM 1017 CB ALA A 89 1.572 -49.352 -22.428 1.00 0.00 C ATOM 0 H ALA A 89 0.860 -46.957 -21.953 1.00 0.00 H new ATOM 0 HA ALA A 89 2.701 -48.226 -23.854 1.00 0.00 H new ATOM 0 HB1 ALA A 89 1.716 -50.298 -22.950 1.00 0.00 H new ATOM 0 HB2 ALA A 89 2.328 -49.247 -21.650 1.00 0.00 H new ATOM 0 HB3 ALA A 89 0.581 -49.335 -21.975 1.00 0.00 H new ATOM 1023 N LYS A 90 1.124 -48.881 -25.703 1.00 0.00 N ATOM 1024 CA LYS A 90 0.272 -49.110 -26.883 1.00 0.00 C ATOM 1025 C LYS A 90 0.959 -50.097 -27.829 1.00 0.00 C ATOM 1026 O LYS A 90 2.191 -50.210 -27.844 1.00 0.00 O ATOM 1027 CB LYS A 90 -0.067 -47.785 -27.653 1.00 0.00 C ATOM 1028 CG LYS A 90 1.085 -47.084 -28.456 1.00 0.00 C ATOM 1029 CD LYS A 90 2.170 -46.357 -27.579 1.00 0.00 C ATOM 1030 CE LYS A 90 3.423 -47.211 -27.296 1.00 0.00 C ATOM 1031 NZ LYS A 90 4.412 -46.501 -26.444 1.00 0.00 N ATOM 0 H LYS A 90 2.090 -49.183 -25.832 1.00 0.00 H new ATOM 0 HA LYS A 90 -0.671 -49.522 -26.525 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -0.876 -48.002 -28.350 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -0.454 -47.068 -26.929 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.582 -47.832 -29.073 1.00 0.00 H new ATOM 0 HG3 LYS A 90 0.641 -46.355 -29.134 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.474 -45.440 -28.083 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.720 -46.065 -26.630 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.125 -48.138 -26.806 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.892 -47.486 -28.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 5.196 -47.144 -26.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 4.782 -45.675 -26.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 3.951 -46.186 -25.566 1.00 0.00 H new ATOM 1045 N VAL A 91 0.148 -50.817 -28.608 1.00 0.00 N ATOM 1046 CA VAL A 91 0.635 -51.754 -29.633 1.00 0.00 C ATOM 1047 C VAL A 91 -0.068 -51.394 -30.957 1.00 0.00 C ATOM 1048 O VAL A 91 -0.991 -52.081 -31.422 1.00 0.00 O ATOM 1049 CB VAL A 91 0.411 -53.273 -29.234 1.00 0.00 C ATOM 1050 CG1 VAL A 91 1.061 -54.226 -30.266 1.00 0.00 C ATOM 1051 CG2 VAL A 91 0.931 -53.581 -27.806 1.00 0.00 C ATOM 0 H VAL A 91 -0.869 -50.769 -28.548 1.00 0.00 H new ATOM 0 HA VAL A 91 1.715 -51.652 -29.737 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.665 -53.445 -29.237 1.00 0.00 H new ATOM 0 HG11 VAL A 91 0.890 -55.260 -29.965 1.00 0.00 H new ATOM 0 HG12 VAL A 91 0.618 -54.056 -31.247 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.133 -54.034 -30.314 1.00 0.00 H new ATOM 0 HG21 VAL A 91 0.757 -54.632 -27.574 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.999 -53.370 -27.754 1.00 0.00 H new ATOM 0 HG23 VAL A 91 0.403 -52.958 -27.084 1.00 0.00 H new ATOM 1061 N ILE A 92 0.315 -50.225 -31.490 1.00 0.00 N ATOM 1062 CA ILE A 92 -0.144 -49.711 -32.794 1.00 0.00 C ATOM 1063 C ILE A 92 1.087 -49.614 -33.718 1.00 0.00 C ATOM 1064 O ILE A 92 1.678 -48.537 -33.901 1.00 0.00 O ATOM 1065 CB ILE A 92 -0.873 -48.305 -32.663 1.00 0.00 C ATOM 1066 CG1 ILE A 92 -1.994 -48.329 -31.560 1.00 0.00 C ATOM 1067 CG2 ILE A 92 -1.454 -47.840 -34.033 1.00 0.00 C ATOM 1068 CD1 ILE A 92 -3.159 -49.271 -31.834 1.00 0.00 C ATOM 0 H ILE A 92 0.965 -49.596 -31.019 1.00 0.00 H new ATOM 0 HA ILE A 92 -0.884 -50.393 -33.212 1.00 0.00 H new ATOM 0 HB ILE A 92 -0.120 -47.582 -32.351 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.539 -48.608 -30.610 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -2.386 -47.319 -31.442 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -1.946 -46.875 -33.911 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.645 -47.745 -34.758 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -2.177 -48.574 -34.390 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -3.875 -49.212 -31.014 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -3.648 -48.984 -32.765 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -2.789 -50.293 -31.919 1.00 0.00 H new ATOM 1080 N ASP A 93 1.533 -50.780 -34.214 1.00 0.00 N ATOM 1081 CA ASP A 93 2.687 -50.882 -35.129 1.00 0.00 C ATOM 1082 C ASP A 93 2.251 -50.515 -36.562 1.00 0.00 C ATOM 1083 O ASP A 93 2.010 -51.390 -37.404 1.00 0.00 O ATOM 1084 CB ASP A 93 3.329 -52.297 -35.055 1.00 0.00 C ATOM 1085 CG ASP A 93 3.923 -52.595 -33.675 1.00 0.00 C ATOM 1086 OD1 ASP A 93 3.167 -52.990 -32.760 1.00 0.00 O ATOM 1087 OD2 ASP A 93 5.144 -52.384 -33.483 1.00 0.00 O ATOM 0 H ASP A 93 1.105 -51.679 -33.993 1.00 0.00 H new ATOM 0 HA ASP A 93 3.455 -50.172 -34.821 1.00 0.00 H new ATOM 0 HB2 ASP A 93 2.576 -53.048 -35.294 1.00 0.00 H new ATOM 0 HB3 ASP A 93 4.111 -52.379 -35.810 1.00 0.00 H new ATOM 1092 N LEU A 94 2.097 -49.203 -36.796 1.00 0.00 N ATOM 1093 CA LEU A 94 1.674 -48.639 -38.095 1.00 0.00 C ATOM 1094 C LEU A 94 2.931 -48.354 -38.962 1.00 0.00 C ATOM 1095 O LEU A 94 2.836 -48.174 -40.187 1.00 0.00 O ATOM 1096 CB LEU A 94 0.804 -47.361 -37.813 1.00 0.00 C ATOM 1097 CG LEU A 94 -0.201 -46.858 -38.923 1.00 0.00 C ATOM 1098 CD1 LEU A 94 0.493 -46.082 -40.076 1.00 0.00 C ATOM 1099 CD2 LEU A 94 -1.055 -48.037 -39.467 1.00 0.00 C ATOM 0 H LEU A 94 2.264 -48.493 -36.083 1.00 0.00 H new ATOM 0 HA LEU A 94 1.059 -49.337 -38.663 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.227 -47.549 -36.908 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.487 -46.541 -37.591 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.864 -46.141 -38.439 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.255 -45.765 -40.803 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.000 -45.206 -39.672 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.222 -46.730 -40.563 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.740 -47.668 -40.230 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.399 -48.791 -39.902 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -1.626 -48.480 -38.651 1.00 0.00 H new ATOM 1111 N THR A 95 4.115 -48.357 -38.305 1.00 0.00 N ATOM 1112 CA THR A 95 5.403 -48.124 -38.951 1.00 0.00 C ATOM 1113 C THR A 95 5.731 -49.242 -39.975 1.00 0.00 C ATOM 1114 O THR A 95 6.243 -50.306 -39.614 1.00 0.00 O ATOM 1115 CB THR A 95 6.535 -48.011 -37.879 1.00 0.00 C ATOM 1116 OG1 THR A 95 6.149 -47.065 -36.866 1.00 0.00 O ATOM 1117 CG2 THR A 95 7.878 -47.572 -38.491 1.00 0.00 C ATOM 0 H THR A 95 4.190 -48.524 -37.302 1.00 0.00 H new ATOM 0 HA THR A 95 5.341 -47.182 -39.497 1.00 0.00 H new ATOM 0 HB THR A 95 6.672 -49.002 -37.447 1.00 0.00 H new ATOM 0 HG1 THR A 95 6.859 -46.997 -36.194 1.00 0.00 H new ATOM 0 HG21 THR A 95 8.632 -47.508 -37.706 1.00 0.00 H new ATOM 0 HG22 THR A 95 8.193 -48.300 -39.238 1.00 0.00 H new ATOM 0 HG23 THR A 95 7.761 -46.596 -38.962 1.00 0.00 H new ATOM 1125 N HIS A 96 5.365 -48.991 -41.245 1.00 0.00 N ATOM 1126 CA HIS A 96 5.658 -49.896 -42.368 1.00 0.00 C ATOM 1127 C HIS A 96 7.015 -49.510 -42.989 1.00 0.00 C ATOM 1128 O HIS A 96 7.252 -48.333 -43.302 1.00 0.00 O ATOM 1129 CB HIS A 96 4.507 -49.867 -43.425 1.00 0.00 C ATOM 1130 CG HIS A 96 4.252 -48.523 -44.066 1.00 0.00 C ATOM 1131 ND1 HIS A 96 3.427 -47.565 -43.511 1.00 0.00 N ATOM 1132 CD2 HIS A 96 4.704 -47.979 -45.231 1.00 0.00 C ATOM 1133 CE1 HIS A 96 3.386 -46.512 -44.299 1.00 0.00 C ATOM 1134 NE2 HIS A 96 4.150 -46.733 -45.344 1.00 0.00 N ATOM 0 H HIS A 96 4.856 -48.151 -41.521 1.00 0.00 H new ATOM 0 HA HIS A 96 5.722 -50.921 -42.002 1.00 0.00 H new ATOM 0 HB2 HIS A 96 4.739 -50.587 -44.210 1.00 0.00 H new ATOM 0 HB3 HIS A 96 3.587 -50.203 -42.946 1.00 0.00 H new ATOM 0 HD2 HIS A 96 5.376 -48.446 -45.936 1.00 0.00 H new ATOM 0 HE1 HIS A 96 2.817 -45.613 -44.116 1.00 0.00 H new ATOM 0 HE2 HIS A 96 4.305 -46.082 -46.114 1.00 0.00 H new ATOM 1143 N ASP A 97 7.914 -50.499 -43.127 1.00 0.00 N ATOM 1144 CA ASP A 97 9.260 -50.280 -43.685 1.00 0.00 C ATOM 1145 C ASP A 97 9.276 -50.689 -45.161 1.00 0.00 C ATOM 1146 O ASP A 97 8.931 -51.831 -45.500 1.00 0.00 O ATOM 1147 CB ASP A 97 10.327 -51.079 -42.892 1.00 0.00 C ATOM 1148 CG ASP A 97 11.768 -50.694 -43.293 1.00 0.00 C ATOM 1149 OD1 ASP A 97 12.303 -51.234 -44.290 1.00 0.00 O ATOM 1150 OD2 ASP A 97 12.369 -49.820 -42.625 1.00 0.00 O ATOM 0 H ASP A 97 7.731 -51.466 -42.857 1.00 0.00 H new ATOM 0 HA ASP A 97 9.505 -49.221 -43.601 1.00 0.00 H new ATOM 0 HB2 ASP A 97 10.190 -50.903 -41.825 1.00 0.00 H new ATOM 0 HB3 ASP A 97 10.178 -52.146 -43.061 1.00 0.00 H new ATOM 1155 N ASN A 98 9.670 -49.743 -46.029 1.00 0.00 N ATOM 1156 CA ASN A 98 9.812 -49.990 -47.469 1.00 0.00 C ATOM 1157 C ASN A 98 11.135 -50.741 -47.712 1.00 0.00 C ATOM 1158 O ASN A 98 12.201 -50.123 -47.841 1.00 0.00 O ATOM 1159 CB ASN A 98 9.765 -48.655 -48.269 1.00 0.00 C ATOM 1160 CG ASN A 98 8.517 -47.812 -47.977 1.00 0.00 C ATOM 1161 OD1 ASN A 98 7.460 -48.329 -47.608 1.00 0.00 O ATOM 1162 ND2 ASN A 98 8.627 -46.505 -48.149 1.00 0.00 N ATOM 0 H ASN A 98 9.898 -48.788 -45.751 1.00 0.00 H new ATOM 0 HA ASN A 98 8.981 -50.601 -47.820 1.00 0.00 H new ATOM 0 HB2 ASN A 98 10.653 -48.068 -48.035 1.00 0.00 H new ATOM 0 HB3 ASN A 98 9.802 -48.878 -49.335 1.00 0.00 H new ATOM 0 HD21 ASN A 98 7.825 -45.899 -47.976 1.00 0.00 H new ATOM 0 HD22 ASN A 98 9.513 -46.104 -48.455 1.00 0.00 H new ATOM 1169 N LYS A 99 11.050 -52.083 -47.706 1.00 0.00 N ATOM 1170 CA LYS A 99 12.204 -52.983 -47.883 1.00 0.00 C ATOM 1171 C LYS A 99 12.895 -52.760 -49.258 1.00 0.00 C ATOM 1172 O LYS A 99 12.239 -52.423 -50.244 1.00 0.00 O ATOM 1173 CB LYS A 99 11.725 -54.455 -47.722 1.00 0.00 C ATOM 1174 CG LYS A 99 12.792 -55.541 -47.994 1.00 0.00 C ATOM 1175 CD LYS A 99 13.986 -55.514 -46.999 1.00 0.00 C ATOM 1176 CE LYS A 99 15.212 -56.282 -47.523 1.00 0.00 C ATOM 1177 NZ LYS A 99 14.879 -57.658 -47.962 1.00 0.00 N ATOM 0 H LYS A 99 10.168 -52.579 -47.577 1.00 0.00 H new ATOM 0 HA LYS A 99 12.950 -52.761 -47.120 1.00 0.00 H new ATOM 0 HB2 LYS A 99 11.350 -54.587 -46.707 1.00 0.00 H new ATOM 0 HB3 LYS A 99 10.885 -54.620 -48.397 1.00 0.00 H new ATOM 0 HG2 LYS A 99 12.318 -56.521 -47.951 1.00 0.00 H new ATOM 0 HG3 LYS A 99 13.173 -55.416 -49.007 1.00 0.00 H new ATOM 0 HD2 LYS A 99 14.267 -54.479 -46.803 1.00 0.00 H new ATOM 0 HD3 LYS A 99 13.671 -55.945 -46.048 1.00 0.00 H new ATOM 0 HE2 LYS A 99 15.649 -55.734 -48.358 1.00 0.00 H new ATOM 0 HE3 LYS A 99 15.969 -56.328 -46.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 15.754 -58.211 -48.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 14.264 -58.109 -47.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 14.386 -57.621 -48.877 1.00 0.00 H new ATOM 1191 N ASP A 100 14.219 -53.001 -49.289 1.00 0.00 N ATOM 1192 CA ASP A 100 15.126 -52.753 -50.435 1.00 0.00 C ATOM 1193 C ASP A 100 14.737 -53.488 -51.738 1.00 0.00 C ATOM 1194 O ASP A 100 15.283 -53.159 -52.790 1.00 0.00 O ATOM 1195 CB ASP A 100 16.575 -53.168 -50.033 1.00 0.00 C ATOM 1196 CG ASP A 100 17.080 -52.468 -48.760 1.00 0.00 C ATOM 1197 OD1 ASP A 100 16.686 -52.896 -47.649 1.00 0.00 O ATOM 1198 OD2 ASP A 100 17.863 -51.497 -48.857 1.00 0.00 O ATOM 0 H ASP A 100 14.711 -53.390 -48.484 1.00 0.00 H new ATOM 0 HA ASP A 100 15.049 -51.688 -50.655 1.00 0.00 H new ATOM 0 HB2 ASP A 100 16.607 -54.247 -49.882 1.00 0.00 H new ATOM 0 HB3 ASP A 100 17.252 -52.941 -50.857 1.00 0.00 H new ATOM 1203 N ASP A 101 13.816 -54.471 -51.651 1.00 0.00 N ATOM 1204 CA ASP A 101 13.372 -55.292 -52.801 1.00 0.00 C ATOM 1205 C ASP A 101 12.916 -54.434 -54.000 1.00 0.00 C ATOM 1206 O ASP A 101 13.526 -54.515 -55.080 1.00 0.00 O ATOM 1207 CB ASP A 101 12.249 -56.280 -52.370 1.00 0.00 C ATOM 1208 CG ASP A 101 12.766 -57.490 -51.558 1.00 0.00 C ATOM 1209 OD1 ASP A 101 13.514 -57.288 -50.584 1.00 0.00 O ATOM 1210 OD2 ASP A 101 12.449 -58.647 -51.912 1.00 0.00 O ATOM 0 H ASP A 101 13.356 -54.720 -50.776 1.00 0.00 H new ATOM 0 HA ASP A 101 14.237 -55.866 -53.134 1.00 0.00 H new ATOM 0 HB2 ASP A 101 11.512 -55.742 -51.774 1.00 0.00 H new ATOM 0 HB3 ASP A 101 11.735 -56.643 -53.260 1.00 0.00 H new ATOM 1215 N LEU A 102 11.873 -53.595 -53.822 1.00 0.00 N ATOM 1216 CA LEU A 102 11.333 -52.780 -54.945 1.00 0.00 C ATOM 1217 C LEU A 102 12.278 -51.615 -55.301 1.00 0.00 C ATOM 1218 O LEU A 102 12.292 -51.174 -56.454 1.00 0.00 O ATOM 1219 CB LEU A 102 9.834 -52.331 -54.727 1.00 0.00 C ATOM 1220 CG LEU A 102 9.464 -51.170 -53.717 1.00 0.00 C ATOM 1221 CD1 LEU A 102 10.097 -51.361 -52.327 1.00 0.00 C ATOM 1222 CD2 LEU A 102 9.738 -49.753 -54.295 1.00 0.00 C ATOM 0 H LEU A 102 11.392 -53.461 -52.932 1.00 0.00 H new ATOM 0 HA LEU A 102 11.298 -53.431 -55.819 1.00 0.00 H new ATOM 0 HB2 LEU A 102 9.444 -52.040 -55.702 1.00 0.00 H new ATOM 0 HB3 LEU A 102 9.280 -53.215 -54.412 1.00 0.00 H new ATOM 0 HG LEU A 102 8.385 -51.241 -53.577 1.00 0.00 H new ATOM 0 HD11 LEU A 102 9.807 -50.534 -51.679 1.00 0.00 H new ATOM 0 HD12 LEU A 102 9.750 -52.300 -51.895 1.00 0.00 H new ATOM 0 HD13 LEU A 102 11.183 -51.385 -52.422 1.00 0.00 H new ATOM 0 HD21 LEU A 102 9.464 -49.000 -53.556 1.00 0.00 H new ATOM 0 HD22 LEU A 102 10.797 -49.657 -54.536 1.00 0.00 H new ATOM 0 HD23 LEU A 102 9.145 -49.608 -55.198 1.00 0.00 H new ATOM 1234 N GLN A 103 13.086 -51.133 -54.317 1.00 0.00 N ATOM 1235 CA GLN A 103 14.180 -50.161 -54.582 1.00 0.00 C ATOM 1236 C GLN A 103 15.177 -50.759 -55.599 1.00 0.00 C ATOM 1237 O GLN A 103 15.616 -50.074 -56.528 1.00 0.00 O ATOM 1238 CB GLN A 103 14.952 -49.747 -53.276 1.00 0.00 C ATOM 1239 CG GLN A 103 14.323 -48.626 -52.418 1.00 0.00 C ATOM 1240 CD GLN A 103 13.058 -49.036 -51.673 1.00 0.00 C ATOM 1241 OE1 GLN A 103 11.953 -48.831 -52.152 1.00 0.00 O ATOM 1242 NE2 GLN A 103 13.216 -49.641 -50.504 1.00 0.00 N ATOM 0 H GLN A 103 13.000 -51.402 -53.337 1.00 0.00 H new ATOM 0 HA GLN A 103 13.716 -49.262 -54.987 1.00 0.00 H new ATOM 0 HB2 GLN A 103 15.060 -50.633 -52.650 1.00 0.00 H new ATOM 0 HB3 GLN A 103 15.956 -49.433 -53.561 1.00 0.00 H new ATOM 0 HG2 GLN A 103 15.061 -48.283 -51.693 1.00 0.00 H new ATOM 0 HG3 GLN A 103 14.091 -47.778 -53.063 1.00 0.00 H new ATOM 0 HE21 GLN A 103 14.153 -49.797 -50.133 1.00 0.00 H new ATOM 0 HE22 GLN A 103 12.400 -49.951 -49.976 1.00 0.00 H new ATOM 1251 N ALA A 104 15.502 -52.054 -55.407 1.00 0.00 N ATOM 1252 CA ALA A 104 16.456 -52.794 -56.246 1.00 0.00 C ATOM 1253 C ALA A 104 15.880 -53.024 -57.650 1.00 0.00 C ATOM 1254 O ALA A 104 16.604 -52.932 -58.642 1.00 0.00 O ATOM 1255 CB ALA A 104 16.811 -54.135 -55.577 1.00 0.00 C ATOM 0 H ALA A 104 15.103 -52.618 -54.656 1.00 0.00 H new ATOM 0 HA ALA A 104 17.365 -52.202 -56.349 1.00 0.00 H new ATOM 0 HB1 ALA A 104 17.518 -54.678 -56.204 1.00 0.00 H new ATOM 0 HB2 ALA A 104 17.260 -53.947 -54.602 1.00 0.00 H new ATOM 0 HB3 ALA A 104 15.906 -54.730 -55.451 1.00 0.00 H new ATOM 1261 N ALA A 105 14.559 -53.316 -57.697 1.00 0.00 N ATOM 1262 CA ALA A 105 13.817 -53.541 -58.954 1.00 0.00 C ATOM 1263 C ALA A 105 13.813 -52.279 -59.838 1.00 0.00 C ATOM 1264 O ALA A 105 14.104 -52.356 -61.033 1.00 0.00 O ATOM 1265 CB ALA A 105 12.380 -54.001 -58.646 1.00 0.00 C ATOM 0 H ALA A 105 13.980 -53.402 -56.862 1.00 0.00 H new ATOM 0 HA ALA A 105 14.324 -54.328 -59.512 1.00 0.00 H new ATOM 0 HB1 ALA A 105 11.842 -54.164 -59.580 1.00 0.00 H new ATOM 0 HB2 ALA A 105 12.409 -54.930 -58.077 1.00 0.00 H new ATOM 0 HB3 ALA A 105 11.870 -53.235 -58.062 1.00 0.00 H new ATOM 1271 N ILE A 106 13.503 -51.119 -59.217 1.00 0.00 N ATOM 1272 CA ILE A 106 13.445 -49.813 -59.911 1.00 0.00 C ATOM 1273 C ILE A 106 14.856 -49.393 -60.375 1.00 0.00 C ATOM 1274 O ILE A 106 15.041 -48.997 -61.532 1.00 0.00 O ATOM 1275 CB ILE A 106 12.803 -48.697 -58.989 1.00 0.00 C ATOM 1276 CG1 ILE A 106 11.317 -49.058 -58.629 1.00 0.00 C ATOM 1277 CG2 ILE A 106 12.891 -47.284 -59.636 1.00 0.00 C ATOM 1278 CD1 ILE A 106 10.369 -49.178 -59.821 1.00 0.00 C ATOM 0 H ILE A 106 13.286 -51.062 -58.222 1.00 0.00 H new ATOM 0 HA ILE A 106 12.806 -49.923 -60.787 1.00 0.00 H new ATOM 0 HB ILE A 106 13.383 -48.665 -58.067 1.00 0.00 H new ATOM 0 HG12 ILE A 106 11.311 -50.002 -58.084 1.00 0.00 H new ATOM 0 HG13 ILE A 106 10.929 -48.297 -57.952 1.00 0.00 H new ATOM 0 HG21 ILE A 106 12.439 -46.550 -58.969 1.00 0.00 H new ATOM 0 HG22 ILE A 106 13.936 -47.026 -59.805 1.00 0.00 H new ATOM 0 HG23 ILE A 106 12.360 -47.286 -60.588 1.00 0.00 H new ATOM 0 HD11 ILE A 106 9.369 -49.430 -59.467 1.00 0.00 H new ATOM 0 HD12 ILE A 106 10.336 -48.229 -60.357 1.00 0.00 H new ATOM 0 HD13 ILE A 106 10.724 -49.961 -60.491 1.00 0.00 H new ATOM 1290 N ALA A 107 15.847 -49.525 -59.465 1.00 0.00 N ATOM 1291 CA ALA A 107 17.265 -49.194 -59.741 1.00 0.00 C ATOM 1292 C ALA A 107 17.796 -49.985 -60.945 1.00 0.00 C ATOM 1293 O ALA A 107 18.442 -49.427 -61.830 1.00 0.00 O ATOM 1294 CB ALA A 107 18.131 -49.455 -58.492 1.00 0.00 C ATOM 0 H ALA A 107 15.687 -49.865 -58.517 1.00 0.00 H new ATOM 0 HA ALA A 107 17.323 -48.134 -59.989 1.00 0.00 H new ATOM 0 HB1 ALA A 107 19.170 -49.207 -58.711 1.00 0.00 H new ATOM 0 HB2 ALA A 107 17.776 -48.836 -57.668 1.00 0.00 H new ATOM 0 HB3 ALA A 107 18.060 -50.506 -58.213 1.00 0.00 H new ATOM 1300 N LEU A 108 17.456 -51.279 -60.982 1.00 0.00 N ATOM 1301 CA LEU A 108 17.869 -52.194 -62.054 1.00 0.00 C ATOM 1302 C LEU A 108 17.210 -51.792 -63.391 1.00 0.00 C ATOM 1303 O LEU A 108 17.908 -51.558 -64.378 1.00 0.00 O ATOM 1304 CB LEU A 108 17.507 -53.652 -61.643 1.00 0.00 C ATOM 1305 CG LEU A 108 17.835 -54.795 -62.663 1.00 0.00 C ATOM 1306 CD1 LEU A 108 19.319 -54.768 -63.099 1.00 0.00 C ATOM 1307 CD2 LEU A 108 17.457 -56.181 -62.071 1.00 0.00 C ATOM 0 H LEU A 108 16.883 -51.724 -60.265 1.00 0.00 H new ATOM 0 HA LEU A 108 18.947 -52.134 -62.201 1.00 0.00 H new ATOM 0 HB2 LEU A 108 18.023 -53.876 -60.710 1.00 0.00 H new ATOM 0 HB3 LEU A 108 16.438 -53.686 -61.432 1.00 0.00 H new ATOM 0 HG LEU A 108 17.233 -54.623 -63.555 1.00 0.00 H new ATOM 0 HD11 LEU A 108 19.505 -55.576 -63.806 1.00 0.00 H new ATOM 0 HD12 LEU A 108 19.541 -53.812 -63.573 1.00 0.00 H new ATOM 0 HD13 LEU A 108 19.957 -54.896 -62.225 1.00 0.00 H new ATOM 0 HD21 LEU A 108 17.692 -56.962 -62.794 1.00 0.00 H new ATOM 0 HD22 LEU A 108 18.023 -56.352 -61.155 1.00 0.00 H new ATOM 0 HD23 LEU A 108 16.390 -56.203 -61.848 1.00 0.00 H new ATOM 1319 N SER A 109 15.872 -51.636 -63.376 1.00 0.00 N ATOM 1320 CA SER A 109 15.064 -51.402 -64.598 1.00 0.00 C ATOM 1321 C SER A 109 15.316 -50.029 -65.244 1.00 0.00 C ATOM 1322 O SER A 109 15.119 -49.869 -66.454 1.00 0.00 O ATOM 1323 CB SER A 109 13.565 -51.567 -64.270 1.00 0.00 C ATOM 1324 OG SER A 109 13.305 -52.846 -63.713 1.00 0.00 O ATOM 0 H SER A 109 15.318 -51.668 -62.520 1.00 0.00 H new ATOM 0 HA SER A 109 15.376 -52.147 -65.330 1.00 0.00 H new ATOM 0 HB2 SER A 109 13.255 -50.791 -63.570 1.00 0.00 H new ATOM 0 HB3 SER A 109 12.974 -51.434 -65.176 1.00 0.00 H new ATOM 0 HG SER A 109 13.538 -52.842 -62.761 1.00 0.00 H new ATOM 1330 N LEU A 110 15.738 -49.046 -64.436 1.00 0.00 N ATOM 1331 CA LEU A 110 16.014 -47.677 -64.922 1.00 0.00 C ATOM 1332 C LEU A 110 17.496 -47.516 -65.328 1.00 0.00 C ATOM 1333 O LEU A 110 17.793 -46.817 -66.305 1.00 0.00 O ATOM 1334 CB LEU A 110 15.583 -46.604 -63.865 1.00 0.00 C ATOM 1335 CG LEU A 110 14.058 -46.201 -63.851 1.00 0.00 C ATOM 1336 CD1 LEU A 110 13.634 -45.562 -65.200 1.00 0.00 C ATOM 1337 CD2 LEU A 110 13.136 -47.394 -63.489 1.00 0.00 C ATOM 0 H LEU A 110 15.898 -49.170 -63.436 1.00 0.00 H new ATOM 0 HA LEU A 110 15.413 -47.512 -65.816 1.00 0.00 H new ATOM 0 HB2 LEU A 110 15.846 -46.976 -62.875 1.00 0.00 H new ATOM 0 HB3 LEU A 110 16.172 -45.703 -64.034 1.00 0.00 H new ATOM 0 HG LEU A 110 13.938 -45.455 -63.066 1.00 0.00 H new ATOM 0 HD11 LEU A 110 12.578 -45.295 -65.160 1.00 0.00 H new ATOM 0 HD12 LEU A 110 14.228 -44.666 -65.381 1.00 0.00 H new ATOM 0 HD13 LEU A 110 13.797 -46.275 -66.008 1.00 0.00 H new ATOM 0 HD21 LEU A 110 12.097 -47.065 -63.493 1.00 0.00 H new ATOM 0 HD22 LEU A 110 13.267 -48.191 -64.221 1.00 0.00 H new ATOM 0 HD23 LEU A 110 13.395 -47.766 -62.498 1.00 0.00 H new ATOM 1349 N LEU A 111 18.422 -48.170 -64.590 1.00 0.00 N ATOM 1350 CA LEU A 111 19.887 -48.035 -64.833 1.00 0.00 C ATOM 1351 C LEU A 111 20.429 -49.121 -65.788 1.00 0.00 C ATOM 1352 O LEU A 111 21.627 -49.112 -66.099 1.00 0.00 O ATOM 1353 CB LEU A 111 20.690 -48.033 -63.491 1.00 0.00 C ATOM 1354 CG LEU A 111 20.690 -46.694 -62.656 1.00 0.00 C ATOM 1355 CD1 LEU A 111 21.270 -45.513 -63.480 1.00 0.00 C ATOM 1356 CD2 LEU A 111 19.285 -46.350 -62.088 1.00 0.00 C ATOM 0 H LEU A 111 18.187 -48.797 -63.821 1.00 0.00 H new ATOM 0 HA LEU A 111 20.031 -47.072 -65.323 1.00 0.00 H new ATOM 0 HB2 LEU A 111 20.293 -48.827 -62.858 1.00 0.00 H new ATOM 0 HB3 LEU A 111 21.725 -48.292 -63.715 1.00 0.00 H new ATOM 0 HG LEU A 111 21.344 -46.859 -61.800 1.00 0.00 H new ATOM 0 HD11 LEU A 111 21.256 -44.606 -62.876 1.00 0.00 H new ATOM 0 HD12 LEU A 111 22.296 -45.740 -63.769 1.00 0.00 H new ATOM 0 HD13 LEU A 111 20.666 -45.362 -64.375 1.00 0.00 H new ATOM 0 HD21 LEU A 111 19.339 -45.420 -61.522 1.00 0.00 H new ATOM 0 HD22 LEU A 111 18.579 -46.234 -62.910 1.00 0.00 H new ATOM 0 HD23 LEU A 111 18.950 -47.155 -61.433 1.00 0.00 H new ATOM 1368 N GLU A 112 19.563 -50.052 -66.245 1.00 0.00 N ATOM 1369 CA GLU A 112 19.943 -51.056 -67.273 1.00 0.00 C ATOM 1370 C GLU A 112 20.049 -50.408 -68.684 1.00 0.00 C ATOM 1371 O GLU A 112 20.106 -49.178 -68.829 1.00 0.00 O ATOM 1372 CB GLU A 112 18.927 -52.235 -67.286 1.00 0.00 C ATOM 1373 CG GLU A 112 17.494 -51.848 -67.704 1.00 0.00 C ATOM 1374 CD GLU A 112 16.553 -53.054 -67.827 1.00 0.00 C ATOM 1375 OE1 GLU A 112 16.221 -53.667 -66.796 1.00 0.00 O ATOM 1376 OE2 GLU A 112 16.143 -53.398 -68.950 1.00 0.00 O ATOM 0 H GLU A 112 18.599 -50.132 -65.922 1.00 0.00 H new ATOM 0 HA GLU A 112 20.926 -51.447 -67.012 1.00 0.00 H new ATOM 0 HB2 GLU A 112 19.293 -53.005 -67.965 1.00 0.00 H new ATOM 0 HB3 GLU A 112 18.893 -52.678 -66.291 1.00 0.00 H new ATOM 0 HG2 GLU A 112 17.086 -51.150 -66.973 1.00 0.00 H new ATOM 0 HG3 GLU A 112 17.530 -51.325 -68.659 1.00 0.00 H new ATOM 1383 N SER A 113 20.068 -51.258 -69.720 1.00 0.00 N ATOM 1384 CA SER A 113 20.189 -50.836 -71.125 1.00 0.00 C ATOM 1385 C SER A 113 19.154 -51.600 -71.976 1.00 0.00 C ATOM 1386 O SER A 113 19.135 -52.843 -71.944 1.00 0.00 O ATOM 1387 CB SER A 113 21.636 -51.083 -71.633 1.00 0.00 C ATOM 1388 OG SER A 113 22.067 -52.403 -71.352 1.00 0.00 O ATOM 0 H SER A 113 19.999 -52.269 -69.606 1.00 0.00 H new ATOM 0 HA SER A 113 19.987 -49.768 -71.211 1.00 0.00 H new ATOM 0 HB2 SER A 113 21.681 -50.906 -72.708 1.00 0.00 H new ATOM 0 HB3 SER A 113 22.314 -50.370 -71.164 1.00 0.00 H new ATOM 0 HG SER A 113 21.313 -53.021 -71.449 1.00 0.00 H new ATOM 1394 N PRO A 114 18.228 -50.876 -72.699 1.00 0.00 N ATOM 1395 CA PRO A 114 17.330 -51.506 -73.689 1.00 0.00 C ATOM 1396 C PRO A 114 18.143 -52.150 -74.829 1.00 0.00 C ATOM 1397 O PRO A 114 18.828 -51.446 -75.579 1.00 0.00 O ATOM 1398 CB PRO A 114 16.445 -50.330 -74.204 1.00 0.00 C ATOM 1399 CG PRO A 114 16.561 -49.272 -73.144 1.00 0.00 C ATOM 1400 CD PRO A 114 17.967 -49.413 -72.590 1.00 0.00 C ATOM 0 HA PRO A 114 16.730 -52.312 -73.266 1.00 0.00 H new ATOM 0 HB2 PRO A 114 16.796 -49.964 -75.169 1.00 0.00 H new ATOM 0 HB3 PRO A 114 15.410 -50.643 -74.339 1.00 0.00 H new ATOM 0 HG2 PRO A 114 16.400 -48.278 -73.561 1.00 0.00 H new ATOM 0 HG3 PRO A 114 15.814 -49.414 -72.363 1.00 0.00 H new ATOM 0 HD2 PRO A 114 18.687 -48.831 -73.165 1.00 0.00 H new ATOM 0 HD3 PRO A 114 18.030 -49.068 -71.558 1.00 0.00 H new ATOM 1408 N LYS A 115 18.077 -53.490 -74.932 1.00 0.00 N ATOM 1409 CA LYS A 115 18.816 -54.259 -75.960 1.00 0.00 C ATOM 1410 C LYS A 115 17.996 -54.373 -77.266 1.00 0.00 C ATOM 1411 O LYS A 115 18.315 -55.203 -78.116 1.00 0.00 O ATOM 1412 CB LYS A 115 19.221 -55.681 -75.439 1.00 0.00 C ATOM 1413 CG LYS A 115 18.047 -56.648 -75.101 1.00 0.00 C ATOM 1414 CD LYS A 115 17.455 -56.457 -73.684 1.00 0.00 C ATOM 1415 CE LYS A 115 16.186 -57.301 -73.433 1.00 0.00 C ATOM 1416 NZ LYS A 115 16.399 -58.740 -73.714 1.00 0.00 N ATOM 0 H LYS A 115 17.514 -54.071 -74.311 1.00 0.00 H new ATOM 0 HA LYS A 115 19.733 -53.710 -76.176 1.00 0.00 H new ATOM 0 HB2 LYS A 115 19.850 -56.156 -76.192 1.00 0.00 H new ATOM 0 HB3 LYS A 115 19.832 -55.557 -74.545 1.00 0.00 H new ATOM 0 HG2 LYS A 115 17.254 -56.509 -75.836 1.00 0.00 H new ATOM 0 HG3 LYS A 115 18.397 -57.675 -75.201 1.00 0.00 H new ATOM 0 HD2 LYS A 115 18.210 -56.720 -72.944 1.00 0.00 H new ATOM 0 HD3 LYS A 115 17.217 -55.404 -73.536 1.00 0.00 H new ATOM 0 HE2 LYS A 115 15.871 -57.179 -72.397 1.00 0.00 H new ATOM 0 HE3 LYS A 115 15.375 -56.928 -74.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 15.701 -59.304 -73.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 16.287 -58.915 -74.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 17.358 -59.013 -73.419 1.00 0.00 H new ATOM 1430 N ILE A 116 16.954 -53.520 -77.415 1.00 0.00 N ATOM 1431 CA ILE A 116 16.099 -53.479 -78.616 1.00 0.00 C ATOM 1432 C ILE A 116 16.946 -53.102 -79.855 1.00 0.00 C ATOM 1433 O ILE A 116 17.379 -51.948 -79.996 1.00 0.00 O ATOM 1434 CB ILE A 116 14.895 -52.473 -78.432 1.00 0.00 C ATOM 1435 CG1 ILE A 116 14.047 -52.841 -77.167 1.00 0.00 C ATOM 1436 CG2 ILE A 116 14.000 -52.400 -79.697 1.00 0.00 C ATOM 1437 CD1 ILE A 116 13.442 -54.246 -77.171 1.00 0.00 C ATOM 0 H ILE A 116 16.686 -52.842 -76.702 1.00 0.00 H new ATOM 0 HA ILE A 116 15.674 -54.471 -78.767 1.00 0.00 H new ATOM 0 HB ILE A 116 15.323 -51.482 -78.282 1.00 0.00 H new ATOM 0 HG12 ILE A 116 14.678 -52.738 -76.284 1.00 0.00 H new ATOM 0 HG13 ILE A 116 13.239 -52.116 -77.068 1.00 0.00 H new ATOM 0 HG21 ILE A 116 13.185 -51.697 -79.526 1.00 0.00 H new ATOM 0 HG22 ILE A 116 14.596 -52.065 -80.546 1.00 0.00 H new ATOM 0 HG23 ILE A 116 13.589 -53.387 -79.909 1.00 0.00 H new ATOM 0 HD11 ILE A 116 12.875 -54.401 -76.253 1.00 0.00 H new ATOM 0 HD12 ILE A 116 12.779 -54.354 -78.029 1.00 0.00 H new ATOM 0 HD13 ILE A 116 14.240 -54.986 -77.234 1.00 0.00 H new ATOM 1449 N GLN A 117 17.211 -54.100 -80.723 1.00 0.00 N ATOM 1450 CA GLN A 117 18.068 -53.939 -81.920 1.00 0.00 C ATOM 1451 C GLN A 117 17.214 -53.811 -83.188 1.00 0.00 C ATOM 1452 O GLN A 117 17.507 -52.995 -84.070 1.00 0.00 O ATOM 1453 CB GLN A 117 19.036 -55.150 -82.071 1.00 0.00 C ATOM 1454 CG GLN A 117 19.914 -55.449 -80.835 1.00 0.00 C ATOM 1455 CD GLN A 117 20.780 -54.261 -80.365 1.00 0.00 C ATOM 1456 OE1 GLN A 117 21.215 -53.423 -81.162 1.00 0.00 O ATOM 1457 NE2 GLN A 117 21.044 -54.185 -79.068 1.00 0.00 N ATOM 0 H GLN A 117 16.837 -55.043 -80.615 1.00 0.00 H new ATOM 0 HA GLN A 117 18.651 -53.028 -81.789 1.00 0.00 H new ATOM 0 HB2 GLN A 117 18.448 -56.038 -82.302 1.00 0.00 H new ATOM 0 HB3 GLN A 117 19.689 -54.969 -82.925 1.00 0.00 H new ATOM 0 HG2 GLN A 117 19.269 -55.760 -80.013 1.00 0.00 H new ATOM 0 HG3 GLN A 117 20.567 -56.291 -81.064 1.00 0.00 H new ATOM 0 HE21 GLN A 117 20.673 -54.889 -78.430 1.00 0.00 H new ATOM 0 HE22 GLN A 117 21.618 -53.422 -78.708 1.00 0.00 H new ATOM 1466 N ALA A 118 16.141 -54.616 -83.255 1.00 0.00 N ATOM 1467 CA ALA A 118 15.325 -54.790 -84.477 1.00 0.00 C ATOM 1468 C ALA A 118 14.285 -53.666 -84.683 1.00 0.00 C ATOM 1469 O ALA A 118 13.500 -53.742 -85.633 1.00 0.00 O ATOM 1470 CB ALA A 118 14.643 -56.174 -84.436 1.00 0.00 C ATOM 0 H ALA A 118 15.811 -55.168 -82.463 1.00 0.00 H new ATOM 0 HA ALA A 118 15.996 -54.728 -85.334 1.00 0.00 H new ATOM 0 HB1 ALA A 118 14.040 -56.309 -85.334 1.00 0.00 H new ATOM 0 HB2 ALA A 118 15.404 -56.953 -84.389 1.00 0.00 H new ATOM 0 HB3 ALA A 118 14.003 -56.238 -83.556 1.00 0.00 H new ATOM 1476 N ASP A 119 14.331 -52.611 -83.828 1.00 0.00 N ATOM 1477 CA ASP A 119 13.327 -51.525 -83.781 1.00 0.00 C ATOM 1478 C ASP A 119 11.932 -52.102 -83.446 1.00 0.00 C ATOM 1479 O ASP A 119 11.194 -52.551 -84.331 1.00 0.00 O ATOM 1480 CB ASP A 119 13.318 -50.666 -85.085 1.00 0.00 C ATOM 1481 CG ASP A 119 12.297 -49.514 -85.039 1.00 0.00 C ATOM 1482 OD1 ASP A 119 12.520 -48.544 -84.284 1.00 0.00 O ATOM 1483 OD2 ASP A 119 11.268 -49.573 -85.746 1.00 0.00 O ATOM 0 H ASP A 119 15.079 -52.493 -83.144 1.00 0.00 H new ATOM 0 HA ASP A 119 13.609 -50.840 -82.981 1.00 0.00 H new ATOM 0 HB2 ASP A 119 14.314 -50.255 -85.250 1.00 0.00 H new ATOM 0 HB3 ASP A 119 13.094 -51.309 -85.936 1.00 0.00 H new ATOM 1488 N GLY A 120 11.599 -52.112 -82.147 1.00 0.00 N ATOM 1489 CA GLY A 120 10.463 -52.869 -81.641 1.00 0.00 C ATOM 1490 C GLY A 120 10.828 -54.340 -81.517 1.00 0.00 C ATOM 1491 O GLY A 120 10.892 -55.045 -82.533 1.00 0.00 O ATOM 0 H GLY A 120 12.110 -51.598 -81.429 1.00 0.00 H new ATOM 0 HA2 GLY A 120 10.160 -52.479 -80.670 1.00 0.00 H new ATOM 0 HA3 GLY A 120 9.611 -52.753 -82.311 1.00 0.00 H new ATOM 1495 N ARG A 121 11.086 -54.779 -80.258 1.00 0.00 N ATOM 1496 CA ARG A 121 11.576 -56.133 -79.894 1.00 0.00 C ATOM 1497 C ARG A 121 13.075 -56.292 -80.248 1.00 0.00 C ATOM 1498 O ARG A 121 13.561 -55.762 -81.257 1.00 0.00 O ATOM 1499 CB ARG A 121 10.732 -57.305 -80.508 1.00 0.00 C ATOM 1500 CG ARG A 121 9.208 -57.217 -80.258 1.00 0.00 C ATOM 1501 CD ARG A 121 8.829 -57.149 -78.772 1.00 0.00 C ATOM 1502 NE ARG A 121 7.374 -56.949 -78.596 1.00 0.00 N ATOM 1503 CZ ARG A 121 6.724 -56.868 -77.421 1.00 0.00 C ATOM 1504 NH1 ARG A 121 7.378 -56.976 -76.265 1.00 0.00 N ATOM 1505 NH2 ARG A 121 5.411 -56.676 -77.409 1.00 0.00 N ATOM 0 H ARG A 121 10.954 -54.181 -79.443 1.00 0.00 H new ATOM 0 HA ARG A 121 11.451 -56.211 -78.814 1.00 0.00 H new ATOM 0 HB2 ARG A 121 10.907 -57.333 -81.583 1.00 0.00 H new ATOM 0 HB3 ARG A 121 11.098 -58.248 -80.101 1.00 0.00 H new ATOM 0 HG2 ARG A 121 8.816 -56.335 -80.764 1.00 0.00 H new ATOM 0 HG3 ARG A 121 8.724 -58.084 -80.708 1.00 0.00 H new ATOM 0 HD2 ARG A 121 9.134 -58.069 -78.274 1.00 0.00 H new ATOM 0 HD3 ARG A 121 9.371 -56.333 -78.293 1.00 0.00 H new ATOM 0 HE ARG A 121 6.812 -56.865 -79.443 1.00 0.00 H new ATOM 0 HH11 ARG A 121 8.387 -57.122 -76.262 1.00 0.00 H new ATOM 0 HH12 ARG A 121 6.869 -56.912 -75.383 1.00 0.00 H new ATOM 0 HH21 ARG A 121 4.900 -56.591 -78.288 1.00 0.00 H new ATOM 0 HH22 ARG A 121 4.913 -56.614 -76.521 1.00 0.00 H new ATOM 1519 N ASP A 122 13.805 -56.998 -79.377 1.00 0.00 N ATOM 1520 CA ASP A 122 15.249 -57.274 -79.538 1.00 0.00 C ATOM 1521 C ASP A 122 15.470 -58.579 -80.316 1.00 0.00 C ATOM 1522 O ASP A 122 16.249 -58.612 -81.279 1.00 0.00 O ATOM 1523 CB ASP A 122 15.950 -57.318 -78.143 1.00 0.00 C ATOM 1524 CG ASP A 122 15.366 -58.336 -77.141 1.00 0.00 C ATOM 1525 OD1 ASP A 122 14.199 -58.166 -76.733 1.00 0.00 O ATOM 1526 OD2 ASP A 122 16.065 -59.295 -76.745 1.00 0.00 O ATOM 0 H ASP A 122 13.410 -57.402 -78.527 1.00 0.00 H new ATOM 0 HA ASP A 122 15.697 -56.466 -80.117 1.00 0.00 H new ATOM 0 HB2 ASP A 122 17.005 -57.545 -78.293 1.00 0.00 H new ATOM 0 HB3 ASP A 122 15.898 -56.325 -77.698 1.00 0.00 H new ATOM 1531 N LEU A 123 14.752 -59.634 -79.896 1.00 0.00 N ATOM 1532 CA LEU A 123 14.802 -60.962 -80.525 1.00 0.00 C ATOM 1533 C LEU A 123 13.596 -61.772 -80.014 1.00 0.00 C ATOM 1534 O LEU A 123 13.392 -61.888 -78.794 1.00 0.00 O ATOM 1535 CB LEU A 123 16.160 -61.677 -80.208 1.00 0.00 C ATOM 1536 CG LEU A 123 16.543 -62.977 -81.027 1.00 0.00 C ATOM 1537 CD1 LEU A 123 15.776 -64.251 -80.560 1.00 0.00 C ATOM 1538 CD2 LEU A 123 16.368 -62.740 -82.550 1.00 0.00 C ATOM 0 H LEU A 123 14.114 -59.587 -79.102 1.00 0.00 H new ATOM 0 HA LEU A 123 14.746 -60.873 -81.610 1.00 0.00 H new ATOM 0 HB2 LEU A 123 16.958 -60.949 -80.351 1.00 0.00 H new ATOM 0 HB3 LEU A 123 16.156 -61.942 -79.151 1.00 0.00 H new ATOM 0 HG LEU A 123 17.596 -63.171 -80.822 1.00 0.00 H new ATOM 0 HD11 LEU A 123 16.086 -65.104 -81.163 1.00 0.00 H new ATOM 0 HD12 LEU A 123 16.001 -64.447 -79.512 1.00 0.00 H new ATOM 0 HD13 LEU A 123 14.704 -64.094 -80.678 1.00 0.00 H new ATOM 0 HD21 LEU A 123 16.637 -63.646 -83.093 1.00 0.00 H new ATOM 0 HD22 LEU A 123 15.330 -62.485 -82.762 1.00 0.00 H new ATOM 0 HD23 LEU A 123 17.014 -61.922 -82.868 1.00 0.00 H new ATOM 1550 N ASN A 124 12.808 -62.324 -80.954 1.00 0.00 N ATOM 1551 CA ASN A 124 11.631 -63.151 -80.642 1.00 0.00 C ATOM 1552 C ASN A 124 11.499 -64.266 -81.695 1.00 0.00 C ATOM 1553 O ASN A 124 11.832 -64.064 -82.871 1.00 0.00 O ATOM 1554 CB ASN A 124 10.350 -62.271 -80.574 1.00 0.00 C ATOM 1555 CG ASN A 124 9.092 -63.069 -80.199 1.00 0.00 C ATOM 1556 OD1 ASN A 124 8.368 -63.554 -81.066 1.00 0.00 O ATOM 1557 ND2 ASN A 124 8.840 -63.237 -78.909 1.00 0.00 N ATOM 0 H ASN A 124 12.971 -62.208 -81.954 1.00 0.00 H new ATOM 0 HA ASN A 124 11.757 -63.614 -79.663 1.00 0.00 H new ATOM 0 HB2 ASN A 124 10.500 -61.476 -79.843 1.00 0.00 H new ATOM 0 HB3 ASN A 124 10.194 -61.791 -81.540 1.00 0.00 H new ATOM 0 HD21 ASN A 124 8.028 -63.780 -78.614 1.00 0.00 H new ATOM 0 HD22 ASN A 124 9.458 -62.823 -78.211 1.00 0.00 H new ATOM 1564 N ARG A 125 11.026 -65.442 -81.253 1.00 0.00 N ATOM 1565 CA ARG A 125 10.864 -66.636 -82.101 1.00 0.00 C ATOM 1566 C ARG A 125 9.588 -67.393 -81.704 1.00 0.00 C ATOM 1567 O ARG A 125 9.455 -68.594 -81.947 1.00 0.00 O ATOM 1568 CB ARG A 125 12.142 -67.519 -81.977 1.00 0.00 C ATOM 1569 CG ARG A 125 12.506 -67.957 -80.538 1.00 0.00 C ATOM 1570 CD ARG A 125 13.953 -68.485 -80.419 1.00 0.00 C ATOM 1571 NE ARG A 125 14.215 -69.666 -81.280 1.00 0.00 N ATOM 1572 CZ ARG A 125 15.069 -69.697 -82.326 1.00 0.00 C ATOM 1573 NH1 ARG A 125 15.674 -68.595 -82.752 1.00 0.00 N ATOM 1574 NH2 ARG A 125 15.293 -70.835 -82.957 1.00 0.00 N ATOM 0 H ARG A 125 10.742 -65.593 -80.285 1.00 0.00 H new ATOM 0 HA ARG A 125 10.750 -66.351 -83.147 1.00 0.00 H new ATOM 0 HB2 ARG A 125 12.008 -68.412 -82.588 1.00 0.00 H new ATOM 0 HB3 ARG A 125 12.985 -66.970 -82.396 1.00 0.00 H new ATOM 0 HG2 ARG A 125 12.376 -67.112 -79.862 1.00 0.00 H new ATOM 0 HG3 ARG A 125 11.813 -68.734 -80.214 1.00 0.00 H new ATOM 0 HD2 ARG A 125 14.647 -67.688 -80.685 1.00 0.00 H new ATOM 0 HD3 ARG A 125 14.153 -68.749 -79.380 1.00 0.00 H new ATOM 0 HE ARG A 125 13.708 -70.524 -81.064 1.00 0.00 H new ATOM 0 HH11 ARG A 125 15.497 -67.704 -82.288 1.00 0.00 H new ATOM 0 HH12 ARG A 125 16.316 -68.639 -83.544 1.00 0.00 H new ATOM 0 HH21 ARG A 125 14.822 -71.687 -82.654 1.00 0.00 H new ATOM 0 HH22 ARG A 125 15.937 -70.862 -83.747 1.00 0.00 H new ATOM 1588 N MET A 126 8.632 -66.651 -81.111 1.00 0.00 N ATOM 1589 CA MET A 126 7.352 -67.202 -80.638 1.00 0.00 C ATOM 1590 C MET A 126 6.196 -66.567 -81.437 1.00 0.00 C ATOM 1591 O MET A 126 6.128 -65.340 -81.557 1.00 0.00 O ATOM 1592 CB MET A 126 7.154 -66.921 -79.122 1.00 0.00 C ATOM 1593 CG MET A 126 8.251 -67.474 -78.196 1.00 0.00 C ATOM 1594 SD MET A 126 9.819 -66.590 -78.354 1.00 0.00 S ATOM 1595 CE MET A 126 10.811 -67.396 -77.097 1.00 0.00 C ATOM 0 H MET A 126 8.729 -65.649 -80.947 1.00 0.00 H new ATOM 0 HA MET A 126 7.360 -68.281 -80.789 1.00 0.00 H new ATOM 0 HB2 MET A 126 7.089 -65.843 -78.976 1.00 0.00 H new ATOM 0 HB3 MET A 126 6.197 -67.342 -78.814 1.00 0.00 H new ATOM 0 HG2 MET A 126 7.910 -67.416 -77.162 1.00 0.00 H new ATOM 0 HG3 MET A 126 8.411 -68.529 -78.420 1.00 0.00 H new ATOM 0 HE1 MET A 126 11.807 -66.953 -77.080 1.00 0.00 H new ATOM 0 HE2 MET A 126 10.339 -67.267 -76.123 1.00 0.00 H new ATOM 0 HE3 MET A 126 10.891 -68.459 -77.323 1.00 0.00 H new ATOM 1605 N HIS A 127 5.284 -67.405 -81.964 1.00 0.00 N ATOM 1606 CA HIS A 127 4.087 -66.943 -82.709 1.00 0.00 C ATOM 1607 C HIS A 127 2.861 -66.822 -81.787 1.00 0.00 C ATOM 1608 O HIS A 127 1.720 -66.771 -82.261 1.00 0.00 O ATOM 1609 CB HIS A 127 3.801 -67.896 -83.901 1.00 0.00 C ATOM 1610 CG HIS A 127 4.749 -67.724 -85.060 1.00 0.00 C ATOM 1611 ND1 HIS A 127 4.410 -67.040 -86.207 1.00 0.00 N ATOM 1612 CD2 HIS A 127 6.018 -68.161 -85.262 1.00 0.00 C ATOM 1613 CE1 HIS A 127 5.416 -67.065 -87.048 1.00 0.00 C ATOM 1614 NE2 HIS A 127 6.404 -67.737 -86.505 1.00 0.00 N ATOM 0 H HIS A 127 5.351 -68.420 -81.888 1.00 0.00 H new ATOM 0 HA HIS A 127 4.292 -65.947 -83.102 1.00 0.00 H new ATOM 0 HB2 HIS A 127 3.854 -68.927 -83.550 1.00 0.00 H new ATOM 0 HB3 HIS A 127 2.782 -67.730 -84.250 1.00 0.00 H new ATOM 0 HD2 HIS A 127 6.614 -68.737 -84.569 1.00 0.00 H new ATOM 0 HE1 HIS A 127 5.429 -66.608 -88.026 1.00 0.00 H new ATOM 0 HE2 HIS A 127 7.310 -67.914 -86.938 1.00 0.00 H new ATOM 1623 N GLU A 128 3.108 -66.784 -80.468 1.00 0.00 N ATOM 1624 CA GLU A 128 2.069 -66.527 -79.465 1.00 0.00 C ATOM 1625 C GLU A 128 1.703 -65.018 -79.468 1.00 0.00 C ATOM 1626 O GLU A 128 2.589 -64.148 -79.469 1.00 0.00 O ATOM 1627 CB GLU A 128 2.547 -66.988 -78.058 1.00 0.00 C ATOM 1628 CG GLU A 128 3.834 -66.295 -77.556 1.00 0.00 C ATOM 1629 CD GLU A 128 4.293 -66.772 -76.168 1.00 0.00 C ATOM 1630 OE1 GLU A 128 3.831 -66.208 -75.154 1.00 0.00 O ATOM 1631 OE2 GLU A 128 5.106 -67.717 -76.085 1.00 0.00 O ATOM 0 H GLU A 128 4.035 -66.931 -80.069 1.00 0.00 H new ATOM 0 HA GLU A 128 1.176 -67.100 -79.715 1.00 0.00 H new ATOM 0 HB2 GLU A 128 1.748 -66.805 -77.340 1.00 0.00 H new ATOM 0 HB3 GLU A 128 2.715 -68.065 -78.081 1.00 0.00 H new ATOM 0 HG2 GLU A 128 4.635 -66.472 -78.274 1.00 0.00 H new ATOM 0 HG3 GLU A 128 3.667 -65.218 -77.523 1.00 0.00 H new ATOM 1638 N ALA A 129 0.402 -64.720 -79.526 1.00 0.00 N ATOM 1639 CA ALA A 129 -0.125 -63.344 -79.456 1.00 0.00 C ATOM 1640 C ALA A 129 -0.709 -63.095 -78.058 1.00 0.00 C ATOM 1641 O ALA A 129 -1.132 -64.051 -77.385 1.00 0.00 O ATOM 1642 CB ALA A 129 -1.179 -63.130 -80.555 1.00 0.00 C ATOM 0 H ALA A 129 -0.325 -65.429 -79.624 1.00 0.00 H new ATOM 0 HA ALA A 129 0.679 -62.627 -79.624 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -1.564 -62.112 -80.497 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -0.724 -63.291 -81.532 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -1.998 -63.836 -80.416 1.00 0.00 H new ATOM 1648 N THR A 130 -0.716 -61.813 -77.621 1.00 0.00 N ATOM 1649 CA THR A 130 -1.238 -61.416 -76.304 1.00 0.00 C ATOM 1650 C THR A 130 -2.754 -61.722 -76.210 1.00 0.00 C ATOM 1651 O THR A 130 -3.591 -60.961 -76.721 1.00 0.00 O ATOM 1652 CB THR A 130 -0.963 -59.897 -76.020 1.00 0.00 C ATOM 1653 OG1 THR A 130 0.418 -59.597 -76.264 1.00 0.00 O ATOM 1654 CG2 THR A 130 -1.309 -59.504 -74.573 1.00 0.00 C ATOM 0 H THR A 130 -0.360 -61.033 -78.173 1.00 0.00 H new ATOM 0 HA THR A 130 -0.717 -61.998 -75.544 1.00 0.00 H new ATOM 0 HB THR A 130 -1.604 -59.324 -76.691 1.00 0.00 H new ATOM 0 HG1 THR A 130 0.583 -58.647 -76.087 1.00 0.00 H new ATOM 0 HG21 THR A 130 -1.102 -58.444 -74.424 1.00 0.00 H new ATOM 0 HG22 THR A 130 -2.365 -59.697 -74.386 1.00 0.00 H new ATOM 0 HG23 THR A 130 -0.705 -60.092 -73.882 1.00 0.00 H new ATOM 1662 N SER A 131 -3.080 -62.884 -75.623 1.00 0.00 N ATOM 1663 CA SER A 131 -4.466 -63.342 -75.419 1.00 0.00 C ATOM 1664 C SER A 131 -5.028 -62.790 -74.090 1.00 0.00 C ATOM 1665 O SER A 131 -6.248 -62.756 -73.893 1.00 0.00 O ATOM 1666 CB SER A 131 -4.490 -64.890 -75.442 1.00 0.00 C ATOM 1667 OG SER A 131 -5.808 -65.390 -75.417 1.00 0.00 O ATOM 0 H SER A 131 -2.382 -63.540 -75.272 1.00 0.00 H new ATOM 0 HA SER A 131 -5.102 -62.966 -76.220 1.00 0.00 H new ATOM 0 HB2 SER A 131 -3.981 -65.249 -76.337 1.00 0.00 H new ATOM 0 HB3 SER A 131 -3.938 -65.276 -74.585 1.00 0.00 H new ATOM 0 HG SER A 131 -5.787 -66.370 -75.434 1.00 0.00 H new ATOM 1673 N ALA A 132 -4.113 -62.370 -73.190 1.00 0.00 N ATOM 1674 CA ALA A 132 -4.449 -61.766 -71.892 1.00 0.00 C ATOM 1675 C ALA A 132 -3.274 -60.877 -71.420 1.00 0.00 C ATOM 1676 O ALA A 132 -2.276 -61.418 -70.888 1.00 0.00 O ATOM 1677 CB ALA A 132 -4.791 -62.855 -70.855 1.00 0.00 C ATOM 1678 OXT ALA A 132 -3.314 -59.653 -71.646 1.00 0.00 O ATOM 0 H ALA A 132 -3.109 -62.444 -73.351 1.00 0.00 H new ATOM 0 HA ALA A 132 -5.334 -61.139 -72.002 1.00 0.00 H new ATOM 0 HB1 ALA A 132 -5.036 -62.386 -69.902 1.00 0.00 H new ATOM 0 HB2 ALA A 132 -5.645 -63.435 -71.205 1.00 0.00 H new ATOM 0 HB3 ALA A 132 -3.933 -63.515 -70.724 1.00 0.00 H new TER 1684 ALA A 132